A0A087Y510_POEFO Loading...

Autophagy-related protein 9

Phospholipid scramblase involved in autophagy. Cycles between the preautophagosomal structure/phagophore assembly site (PAS) and the cytoplasmic vesicle pool and supplies membrane for the growing autophagosome. Lipid scramblase activity plays a key role in preautophagosomal structure/phagophore assembly by distributing the phospholipids that arrive through ATG2 from the cytoplasmic to the luminal leaflet of the bilayer, thereby driving autophagosomal membrane expansion.

AlphaFold DB , UniProt , Accession A0A087Y510, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 774 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.9	Very low	33.5	Very low	190 Å²	190	103.4 Å²	103.4	94%	0.936	51%	0.511	S	S	*	.				0	-66.5	0	-124.1	149.2	79	0	0	112	I3 V4 D5	M1-I3 VanDerWaalsContact C-N 3.31Å; M1-I3 PolarHBondContact O-N 2.68Å; M1-I3 VanDerWaalsContact O-N 3.08Å; M1-V4 WeakPolarHBondContact O-CA 3.34Å; M1-V4 WeakPolarHBondContact O-CB 3.28Å; M1-V4 PolarHBondContact O-N 3.45Å; M1-D5 PolarHBondContact O-N 2.87Å
2	F	23	Very low	34.4	Very low	188 Å²	188	98.8 Å²	98.8	83%	0.825	49%	0.489	S	S	*	.	H	α-helix	trans	-46.8	-41.6	-179.6	-95.4	-89.2	0	0	0	116.4	V4 D5 H6	F2-V4 VanDerWaalsContact C-N 3.33Å; F2-V4 PolarHBondContact O-N 2.64Å; F2-D5 PolarHBondContact O-N 3.3Å; F2-H6 WeakPolarHBondContact O-CB 3.35Å; F2-H6 PolarHBondContact O-N 2.96Å
3	I	26.1	Very low	35.6	Very low	135 Å²	135	93.8 Å²	93.8	69%	0.692	47%	0.466	S	S	*	.	H	α-helix	trans	-65.8	-35.8	177.1	-66.1	172.7	0	0	0	111.8	M1 L7	M1-I3 VanDerWaalsContact C-N 3.31Å; M1-I3 PolarHBondContact O-N 2.68Å; M1-I3 VanDerWaalsContact O-N 3.08Å; I3-L7 HydrophobicContact CG2-CD1 4.09Å; I3-L7 WeakPolarHBondContact O-CB 3.39Å; I3-L7 PolarHBondContact O-N 3.27Å
4	V	29.5	Very low	37	Very low	89 Å²	89	87.6 Å²	87.6	54%	0.539	43%	0.434	S	S	.	.	H	α-helix	trans	-70.5	-44.4	176.9	-178.7	0	0	0	0	110.1	M1 F2 H6 L7 Y8	M1-V4 WeakPolarHBondContact O-CA 3.34Å; M1-V4 WeakPolarHBondContact O-CB 3.28Å; M1-V4 PolarHBondContact O-N 3.45Å; F2-V4 VanDerWaalsContact C-N 3.33Å; F2-V4 PolarHBondContact O-N 2.64Å; V4-H6 VanDerWaalsContact C-N 3.35Å; V4-H6 PolarHBondContact O-N 3.32Å; V4-L7 PolarHBondContact O-N 2.8Å; V4-Y8 VanDerWaalsContact O-CB 3.29Å; V4-Y8 WeakPolarHBondContact O-CB 3.41Å; V4-Y8 PolarHBondContact O-N 2.79Å
5	D	28	Very low	38.5	Very low	91 Å²	91	82.1 Å²	82.1	49%	0.487	41%	0.407	S	S	.	.	H	α-helix	trans	-63.8	-37.4	175	-74.7	-51.6	0	0	0	112.8	M1 F2 Y8 Q9	M1-D5 PolarHBondContact O-N 2.87Å; F2-D5 PolarHBondContact O-N 3.3Å; D5-Y8 WeakPolarHBondContact O-CB 3.2Å; D5-Y8 PolarHBondContact O-N 3.49Å; D5-Q9 PolarHBondContact O-N 3.18Å
6	H	29.5	Very low	40.1	Very low	127 Å²	127	80.3 Å²	80.3	59%	0.588	40%	0.399	S	S	*	.	H	α-helix	trans	-70.4	-40.4	176.8	-161.2	-36.6	0	0	0	111.7	F2 V4 Y8 Q9 V10	F2-H6 WeakPolarHBondContact O-CB 3.35Å; F2-H6 PolarHBondContact O-N 2.96Å; V4-H6 VanDerWaalsContact C-N 3.35Å; V4-H6 PolarHBondContact O-N 3.32Å; H6-Y8 VanDerWaalsContact C-N 3.28Å; H6-Y8 PolarHBondContact O-N 3.19Å; H6-Q9 PolarHBondContact O-N 2.76Å; H6-V10 WeakPolarHBondContact O-CG2 3.37Å; H6-V10 PolarHBondContact O-N 2.77Å; H6-V10 VanDerWaalsContact O-N 3.14Å
7	L	31.2	Very low	41.9	Very low	88 Å²	88	79.8 Å²	79.8	46%	0.461	39%	0.391	S	S	.	.	H	α-helix	trans	-59.7	-40.4	167.3	-91.2	154.8	0	0	0	110.8	I3 V4 V10 F11	I3-L7 HydrophobicContact CG2-CD1 4.09Å; I3-L7 WeakPolarHBondContact O-CB 3.39Å; I3-L7 PolarHBondContact O-N 3.27Å; V4-L7 PolarHBondContact O-N 2.8Å; L7-V10 CarbonylContact O-C 3.43Å; L7-V10 PolarHBondContact O-N 3.08Å; L7-F11 WeakPolarHBondContact O-CB 3.32Å; L7-F11 PolarHBondContact O-N 2.91Å
8	Y	40.9	Very low	44.3	Very low	39 Å²	39	75.4 Å²	75.4	15%	0.153	37%	0.37	C	S	.	.	H	α-helix	trans	-65.5	-42.4	-179.9	-151.2	-107.4	0	0	0	112.6	V4 D5 H6 V10 F11 L12 M167 C168 I169	V4-Y8 VanDerWaalsContact O-CB 3.29Å; V4-Y8 WeakPolarHBondContact O-CB 3.41Å; V4-Y8 PolarHBondContact O-N 2.79Å; D5-Y8 WeakPolarHBondContact O-CB 3.2Å; D5-Y8 PolarHBondContact O-N 3.49Å; H6-Y8 VanDerWaalsContact C-N 3.28Å; H6-Y8 PolarHBondContact O-N 3.19Å; Y8-V10 VanDerWaalsContact C-N 3.31Å; Y8-V10 PolarHBondContact O-N 2.72Å; Y8-F11 PolarHBondContact O-N 3.38Å; Y8-L12 HydrophobicContact CD1-CD1 3.93Å; Y8-L12 HydrophobicContact CD1-CG 4.35Å; Y8-L12 HydrophobicContact CE1-CD1 3.91Å; Y8-L12 HydrophobicContact CE1-CG 4.31Å; Y8-L12 WeakPolarHBondContact O-CG 3.4Å; Y8-L12 PolarHBondContact O-N 3.36Å; Y8-M167 WeakPolarHBondContact CE2-O 3.14Å; Y8-M167 PolarHBondContact OH-O 2.97Å; Y8-C168 WeakPolarHBondContact OH-CA 3.27Å; Y8-I169 HydrophobicContact CD2-CD1 3.86Å; Y8-I169 HydrophobicContact CE1-CD1 4.41Å; Y8-I169 HydrophobicContact CE2-CB 4.5Å; Y8-I169 HydrophobicContact CE2-CD1 3.43Å; Y8-I169 VanDerWaalsContact CE2-CD1 3.43Å; Y8-I169 HydrophobicContact CE2-CG1 3.64Å; Y8-I169 PolarHBondContact OH-N 3.33Å
9	Q	38.1	Very low	46.7	Very low	92 Å²	92	71.6 Å²	71.6	43%	0.43	35%	0.351	S	S	.	.	H	α-helix	trans	-61.6	-38.1	171.9	-77.6	-164.6	-4.2	0	0	112.4	D5 H6 N13 W238	D5-Q9 PolarHBondContact O-N 3.18Å; H6-Q9 PolarHBondContact O-N 2.76Å; Q9-N13 PolarHBondContact O-N 2.9Å; Q9-N13 PolarHBondContact O-ND2 2.8Å; Q9-W238 HydrophobicContact CG-CH2 3.79Å; Q9-W238 HydrophobicContact CG-CZ3 4.5Å
10	V	41.9	Very low	48.7	Very low	45 Å²	45	71.6 Å²	71.6	27%	0.273	35%	0.35	S	S	.	.	H	α-helix	trans	-68.8	-43.9	174.9	172.8	0	0	0	0	110.5	H6 L7 Y8 L12 N13 Q14 E130	H6-V10 WeakPolarHBondContact O-CG2 3.37Å; H6-V10 PolarHBondContact O-N 2.77Å; H6-V10 VanDerWaalsContact O-N 3.14Å; L7-V10 CarbonylContact O-C 3.43Å; L7-V10 PolarHBondContact O-N 3.08Å; Y8-V10 VanDerWaalsContact C-N 3.31Å; Y8-V10 PolarHBondContact O-N 2.72Å; V10-L12 PolarHBondContact O-N 3.43Å; V10-N13 CarbonylContact O-C 3.5Å; V10-N13 WeakPolarHBondContact O-CA 3.47Å; V10-N13 WeakPolarHBondContact O-CB 3.44Å; V10-N13 PolarHBondContact O-N 2.74Å; V10-N13 VanDerWaalsContact O-N 3.11Å; V10-Q14 HydrophobicContact CG1-CG 4.44Å; V10-Q14 WeakPolarHBondContact O-CG 3.32Å; V10-Q14 PolarHBondContact O-N 2.76Å; V10-E130 WeakPolarHBondContact CG1-OE2 3.34Å
11	F	47.2	Very low	50.6	Low	53 Å²	53	68.2 Å²	68.2	23%	0.232	33%	0.334	C	S	.	.	H	α-helix	trans	-64.5	-34.5	179.4	-132	-88.7	0	0	0	113.7	L7 Y8 Q14 F134 M167	L7-F11 WeakPolarHBondContact O-CB 3.32Å; L7-F11 PolarHBondContact O-N 2.91Å; Y8-F11 PolarHBondContact O-N 3.38Å; F11-Q14 PolarHBondContact O-N 3.17Å; F11-F134 HydrophobicContact CE1-CE2 4.09Å; F11-F134 AromaticContact CZ-CD2 3.92Å; F11-F134 HydrophobicContact CZ-CD2 3.92Å; F11-F134 AromaticContact CZ-CE2 3.81Å; F11-F134 HydrophobicContact CZ-CE2 3.81Å; F11-M167 HydrophobicContact CD1-CB 4.41Å; F11-M167 HydrophobicContact CE1-CB 4.06Å; F11-M167 HydrophobicContact CE1-CG 3.75Å; F11-M167 HydrophobicContact CE1-SD 3.75Å; F11-M167 HydrophobicContact CZ-CG 4.33Å; F11-M167 HydrophobicContact CZ-SD 4.37Å
12	L	44.9	Very low	53.4	Low	48 Å²	48	60 Å²	60	25%	0.251	29%	0.293	S	S	.	.	H	α-helix	trans	-70.9	-34.3	173.4	-69.6	176.2	0	0	0	112.1	Y8 V10	Y8-L12 HydrophobicContact CD1-CD1 3.93Å; Y8-L12 HydrophobicContact CD1-CG 4.35Å; Y8-L12 HydrophobicContact CE1-CD1 3.91Å; Y8-L12 HydrophobicContact CE1-CG 4.31Å; Y8-L12 WeakPolarHBondContact O-CG 3.4Å; Y8-L12 PolarHBondContact O-N 3.36Å; V10-L12 PolarHBondContact O-N 3.43Å
13	N	49.5	Very low	56.7	Low	35 Å²	35	54 Å²	54	19%	0.187	27%	0.268	C	S	.	.	H	α-helix	trans	-67.1	-42	169.9	-85.1	-80.4	0	0	0	111.7	Q9 V10 R15 I16 Y17 K237	Q9-N13 PolarHBondContact O-N 2.9Å; Q9-N13 PolarHBondContact O-ND2 2.8Å; V10-N13 CarbonylContact O-C 3.5Å; V10-N13 WeakPolarHBondContact O-CA 3.47Å; V10-N13 WeakPolarHBondContact O-CB 3.44Å; V10-N13 PolarHBondContact O-N 2.74Å; V10-N13 VanDerWaalsContact O-N 3.11Å; N13-R15 PolarHBondContact O-N 3.3Å; N13-I16 PolarHBondContact O-N 3.25Å; N13-Y17 HydrophobicContact CB-CE2 4.24Å; N13-Y17 VanDerWaalsContact O-CD2 3.24Å; N13-Y17 WeakPolarHBondContact O-CD2 3.49Å; N13-K237 WeakPolarHBondContact OD1-CD 3.38Å; N13-K237 WeakPolarHBondContact OD1-CE 3.46Å; N13-K237 PolarHBondContact OD1-NZ 3.37Å
14	Q	55.1	Low	59.8	Low	6 Å²	6	52.3 Å²	52.3	3%	0.028	26%	0.255	C	S	.	.	H	α-helix	trans	-52.2	-32.6	-177.4	-79.7	171.8	6.2	0	0	113.4	V10 F11 I16 Y17 I18 E130 I131	V10-Q14 HydrophobicContact CG1-CG 4.44Å; V10-Q14 WeakPolarHBondContact O-CG 3.32Å; V10-Q14 PolarHBondContact O-N 2.76Å; F11-Q14 PolarHBondContact O-N 3.17Å; Q14-I16 VanDerWaalsContact C-N 3.33Å; Q14-I16 PolarHBondContact O-N 3.21Å; Q14-Y17 CarbonylContact O-C 3.59Å; Q14-Y17 WeakPolarHBondContact O-CA 3.47Å; Q14-Y17 PolarHBondContact O-N 3.36Å; Q14-I18 HydrophobicContact CB-CD1 4.41Å; Q14-I18 VanDerWaalsContact O-CG1 3.31Å; Q14-I18 WeakPolarHBondContact O-CG1 3.48Å; Q14-I18 PolarHBondContact O-N 3.26Å; Q14-E130 PolarHBondContact NE2-OE1 2.7Å; Q14-E130 PolarHBondContact NE2-OE2 2.94Å; Q14-I131 HydrophobicContact CG-CG1 4.16Å
15	R	59.9	Low	62.6	Low	6 Å²	6	52.7 Å²	52.7	2%	0.023	25%	0.254	C	S	.	.	H	α-helix	trans	-63.6	-32.5	-177.2	-66.4	-170.9	-177.7	-168.1	-2	114.5	N13 I18 Y19 L174	N13-R15 PolarHBondContact O-N 3.3Å; R15-I18 HydrophobicContact CG-CD1 4.44Å; R15-Y19 PolarHBondContact O-N 3.41Å; R15-L174 VanDerWaalsContact NH1-CD1 3.27Å
16	I	64.3	Low	65.5	Low	53 Å²	53	48.5 Å²	48.5	27%	0.272	23%	0.232	S	C	.	.	H	α-helix	trans	-65.3	-46.9	169.1	-72	163.4	0	0	0	109.3	N13 Q14 I18 Y19 H20	N13-I16 PolarHBondContact O-N 3.25Å; Q14-I16 VanDerWaalsContact C-N 3.33Å; Q14-I16 PolarHBondContact O-N 3.21Å; I16-I18 PolarHBondContact O-N 3.35Å; I16-Y19 PolarHBondContact O-N 3.16Å; I16-H20 PolarHBondContact O-CD2 3.28Å; I16-H20 VanDerWaalsContact O-CD2 3.24Å; I16-H20 PolarHBondContact O-N 3.48Å
17	Y	70.9	Confident	68.4	Low	71 Å²	71	44.1 Å²	44.1	28%	0.278	21%	0.212	S	C	.	.	H	α-helix	trans	-69.9	-27.2	-179.1	-61.4	-79.3	0	0	0	113.8	N13 Q14 H20 Y21 Y128 I131	N13-Y17 HydrophobicContact CB-CE2 4.24Å; N13-Y17 VanDerWaalsContact O-CD2 3.24Å; N13-Y17 WeakPolarHBondContact O-CD2 3.49Å; Q14-Y17 CarbonylContact O-C 3.59Å; Q14-Y17 WeakPolarHBondContact O-CA 3.47Å; Q14-Y17 PolarHBondContact O-N 3.36Å; Y17-H20 PolarHBondContact O-N 3.28Å; Y17-Y21 WeakPolarHBondContact O-CB 3.17Å; Y17-Y21 PolarHBondContact O-N 3.44Å; Y17-Y128 HydrophobicContact CD1-CE1 4.21Å; Y17-I131 HydrophobicContact CG-CD1 4.17Å
18	I	84.4	Confident	71.2	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-61.3	-49.9	171.4	-75.9	165.3	0	0	0	109.1	Q14 R15 I16 H20 Y21 H22 I131 F134 Y135 W151	Q14-I18 HydrophobicContact CB-CD1 4.41Å; Q14-I18 VanDerWaalsContact O-CG1 3.31Å; Q14-I18 WeakPolarHBondContact O-CG1 3.48Å; Q14-I18 PolarHBondContact O-N 3.26Å; R15-I18 HydrophobicContact CG-CD1 4.44Å; I16-I18 PolarHBondContact O-N 3.35Å; I18-H20 PolarHBondContact O-N 3.43Å; I18-Y21 WeakPolarHBondContact O-CB 3.3Å; I18-Y21 PolarHBondContact O-N 3.01Å; I18-H22 PolarHBondContact O-N 3.48Å; I18-H22 VanDerWaalsContact O-N 3.1Å; I18-I131 HydrophobicContact CG1-CG2 4.05Å; I18-F134 HydrophobicContact CD1-CD1 3.75Å; I18-F134 HydrophobicContact CD1-CE1 3.53Å; I18-F134 HydrophobicContact CD1-CZ 4.27Å; I18-F134 HydrophobicContact CG1-CD1 4.22Å; I18-F134 HydrophobicContact CG1-CE1 4.36Å; I18-Y135 HydrophobicContact CB-CE2 4.34Å; I18-Y135 HydrophobicContact CG1-CE2 4.33Å; I18-Y135 HydrophobicContact CG2-CE2 3.91Å; I18-Y135 WeakPolarHBondContact CG2-OH 3.48Å; I18-Y135 PolarHBondContact O-OH 3.18Å; I18-W151 HydrophobicContact CG2-CH2 4.45Å; I18-W151 HydrophobicContact CG2-CZ3 4.42Å
19	Y	89.7	Confident	73.6	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.008	23%	0.232	C	C	.	.	H	α-helix	trans	-58.1	-48.4	172.6	173.8	-93.8	0	0	0	111.7	R15 I16 Y21 H22 Q23 W151 I183 L317 N318 H319	R15-Y19 PolarHBondContact O-N 3.41Å; I16-Y19 PolarHBondContact O-N 3.16Å; Y19-Y21 VanDerWaalsContact C-N 3.3Å; Y19-Y21 PolarHBondContact O-N 3.43Å; Y19-H22 PolarHBondContact O-N 2.9Å; Y19-Q23 HydrophobicContact CD1-CG 4.15Å; Y19-Q23 HydrophobicContact CD2-CG 4.15Å; Y19-Q23 HydrophobicContact CE1-CG 3.7Å; Y19-Q23 HydrophobicContact CE2-CG 3.72Å; Y19-Q23 HydrophobicContact CG-CG 4.35Å; Y19-Q23 VanDerWaalsContact CZ-CG 3.47Å; Y19-Q23 WeakPolarHBondContact O-CG 3.48Å; Y19-Q23 PolarHBondContact O-N 3.43Å; Y19-W151 AromaticContact CD2-CD2 3.81Å; Y19-W151 HydrophobicContact CD2-CD2 3.81Å; Y19-W151 AromaticContact CD2-CE2 3.84Å; Y19-W151 AromaticContact CD2-CE3 3.87Å; Y19-W151 HydrophobicContact CD2-CE3 3.87Å; Y19-W151 AromaticContact CD2-CH2 3.98Å; Y19-W151 HydrophobicContact CD2-CH2 3.98Å; Y19-W151 AromaticContact CD2-CZ2 3.93Å; Y19-W151 HydrophobicContact CD2-CZ2 3.93Å; Y19-W151 AromaticContact CD2-CZ3 3.96Å; Y19-W151 HydrophobicContact CD2-CZ3 3.96Å; Y19-W151 HydrophobicContact CE2-CD2 4.26Å; Y19-W151 HydrophobicContact CG-CH2 4.42Å; Y19-W151 HydrophobicContact CG-CZ3 4.47Å; Y19-I183 HydrophobicContact CD1-CG2 4.15Å; Y19-I183 HydrophobicContact CD2-CD1 4.3Å; Y19-I183 HydrophobicContact CG-CD1 4.2Å; Y19-I183 HydrophobicContact CG-CG2 4.18Å; Y19-L317 HydrophobicContact CD2-CD1 4.44Å; Y19-L317 HydrophobicContact CD2-CD2 4.13Å; Y19-L317 HydrophobicContact CE2-CB 4.11Å; Y19-L317 HydrophobicContact CE2-CD1 3.94Å; Y19-L317 HydrophobicContact CE2-CD2 3.79Å; Y19-L317 HydrophobicContact CE2-CG 4.17Å; Y19-N318 PolarHBondContact OH-N 2.81Å; Y19-H319 AromaticContact CE2-CE1 3.91Å; Y19-H319 AromaticContact CE2-ND1 3.56Å; Y19-H319 AromaticContact CZ-ND1 3.71Å; Y19-H319 PolarHBondContact OH-N 2.71Å; Y19-H319 PolarHBondContact OH-ND1 3.43Å
20	H	86.9	Confident	76.1	Confident	72 Å²	72	40.8 Å²	40.8	33%	0.333	21%	0.214	S	C	.	.	H	α-helix	trans	-62.6	-34.6	178.1	-81.6	-78.2	0	0	0	113.5	I16 Y17 I18 Q23 K24	I16-H20 PolarHBondContact O-CD2 3.28Å; I16-H20 VanDerWaalsContact O-CD2 3.24Å; I16-H20 PolarHBondContact O-N 3.48Å; Y17-H20 PolarHBondContact O-N 3.28Å; I18-H20 PolarHBondContact O-N 3.43Å; H20-Q23 PolarHBondContact O-N 2.82Å; H20-K24 WeakPolarHBondContact O-CB 3.38Å; H20-K24 PolarHBondContact O-N 2.95Å
21	Y	89.8	Confident	78.4	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-65.4	-44.6	178.3	-174.1	-89.1	0	0	0	111.9	Y17 I18 Y19 N25 G26 F27 M30 I131 R132 Y135 M143 L146	Y17-Y21 WeakPolarHBondContact O-CB 3.17Å; Y17-Y21 PolarHBondContact O-N 3.44Å; I18-Y21 WeakPolarHBondContact O-CB 3.3Å; I18-Y21 PolarHBondContact O-N 3.01Å; Y19-Y21 VanDerWaalsContact C-N 3.3Å; Y19-Y21 PolarHBondContact O-N 3.43Å; Y21-N25 PolarHBondContact O-N 2.98Å; Y21-G26 PolarHBondContact O-N 3.37Å; Y21-F27 HydrophobicContact CE2-CB 3.79Å; Y21-F27 VanDerWaalsContact CE2-N 3.34Å; Y21-F27 WeakPolarHBondContact OH-CB 2.92Å; Y21-F27 PolarHBondContact OH-N 3.37Å; Y21-M30 HydrophobicContact CD2-SD 3.69Å; Y21-M30 HydrophobicContact CG-SD 4.25Å; Y21-I131 HydrophobicContact CD1-CG2 4.28Å; Y21-I131 HydrophobicContact CD2-CG2 3.93Å; Y21-I131 HydrophobicContact CG-CG2 3.78Å; Y21-R132 HydrophobicContact CE2-CB 4.18Å; Y21-R132 WeakPolarHBondContact OH-CB 3.36Å; Y21-Y135 AromaticContact CD1-CD2 3.62Å; Y21-Y135 HydrophobicContact CD1-CD2 3.62Å; Y21-Y135 AromaticContact CD1-CE2 3.46Å; Y21-Y135 HydrophobicContact CD1-CE2 3.46Å; Y21-Y135 VanDerWaalsContact CD1-CE2 3.46Å; Y21-Y135 HydrophobicContact CD1-CG 4.28Å; Y21-Y135 AromaticContact CE1-CD2 3.83Å; Y21-Y135 HydrophobicContact CE1-CD2 3.83Å; Y21-Y135 HydrophobicContact CE1-CE2 4.15Å; Y21-Y135 HydrophobicContact CE1-CG 4.16Å; Y21-Y135 HydrophobicContact CG-CD2 4.42Å; Y21-Y135 HydrophobicContact CG-CE2 4.12Å; Y21-M143 HydrophobicContact CE1-SD 4.27Å; Y21-M143 PolarHBondContact OH-SD 2.89Å; Y21-L146 HydrophobicContact CD1-CD2 4Å; Y21-L146 HydrophobicContact CE1-CD2 3.7Å
22	H	91.6	Very high	80.6	Confident	18 Å²	18	42.4 Å²	42.4	8%	0.083	22%	0.223	C	C	.	.	H	α-helix	trans	-59.1	-53	170.3	179.9	-86.2	0	0	0	111.7	I18 Y19 K24 N25 F149 W151	I18-H22 PolarHBondContact O-N 3.48Å; I18-H22 VanDerWaalsContact O-N 3.1Å; Y19-H22 PolarHBondContact O-N 2.9Å; H22-K24 PolarHBondContact O-N 3.48Å; H22-K24 VanDerWaalsContact O-N 3.15Å; H22-N25 PolarHBondContact O-N 3.38Å; H22-F149 PolarHBondContact NE2-O 2.85Å; H22-F149 VanDerWaalsContact NE2-O 3.13Å; H22-W151 HydrophobicContact CB-CE3 4.23Å; H22-W151 HydrophobicContact CB-CZ3 4.44Å
23	Q	92.1	Very high	82.8	Confident	62 Å²	62	41.6 Å²	41.6	29%	0.29	22%	0.221	S	C	.	.	H	α-helix	trans	-70.3	-10.8	-174	-61.9	-65.6	-38	0	0	114.7	Y19 H20 H319	Y19-Q23 HydrophobicContact CD1-CG 4.15Å; Y19-Q23 HydrophobicContact CD2-CG 4.15Å; Y19-Q23 HydrophobicContact CE1-CG 3.7Å; Y19-Q23 HydrophobicContact CE2-CG 3.72Å; Y19-Q23 HydrophobicContact CG-CG 4.35Å; Y19-Q23 VanDerWaalsContact CZ-CG 3.47Å; Y19-Q23 WeakPolarHBondContact O-CG 3.48Å; Y19-Q23 PolarHBondContact O-N 3.43Å; H20-Q23 PolarHBondContact O-N 2.82Å; Q23-H319 PolarHBondContact NE2-ND1 3.49Å; Q23-H319 VanDerWaalsContact OE1-CB 3.28Å
24	K	90.2	Very high	84.8	Confident	99 Å²	99	41.6 Å²	41.6	43%	0.43	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	13.7	173.1	-78.1	-77.4	-164	161.9	0	112.5	H20 H22 G26 C29 M30 S33	H20-K24 WeakPolarHBondContact O-CB 3.38Å; H20-K24 PolarHBondContact O-N 2.95Å; H22-K24 PolarHBondContact O-N 3.48Å; H22-K24 VanDerWaalsContact O-N 3.15Å; K24-G26 VanDerWaalsContact C-N 3.28Å; K24-G26 PolarHBondContact O-N 3.24Å; K24-C29 WeakPolarHBondContact O-CB 3.32Å; K24-M30 HydrophobicContact CB-CG 3.37Å; K24-M30 HydrophobicContact CB-SD 4.15Å; K24-M30 HydrophobicContact CG-CG 4.1Å; K24-S33 PolarHBondContact NZ-OG 3.11Å
25	N	88.8	Confident	86.6	Confident	97 Å²	97	46.7 Å²	46.7	52%	0.519	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	36.8	177.9	-54.6	-13.4	0	0	0	113.3	Y21 H22 C29	Y21-N25 PolarHBondContact O-N 2.98Å; H22-N25 PolarHBondContact O-N 3.38Å; N25-C29 HydrophobicContact CB-CB 4.46Å
26	G	88.8	Confident	88.2	Confident	3 Å²	3	51.3 Å²	51.3	3%	0.031	26%	0.263	C	S	.	.	S	Bend	trans	82.5	-175.9	171	0	0	0	0	0	116.6	Y21 K24 A28 C29 M30	Y21-G26 PolarHBondContact O-N 3.37Å; K24-G26 VanDerWaalsContact C-N 3.28Å; K24-G26 PolarHBondContact O-N 3.24Å; G26-A28 PolarHBondContact O-N 2.93Å; G26-C29 PolarHBondContact O-N 3.44Å; G26-M30 WeakPolarHBondContact O-CG 3.46Å; G26-M30 PolarHBondContact O-N 2.97Å; G26-M30 VanDerWaalsContact O-N 3.14Å
27	F	89.4	Confident	89.6	Confident	35 Å²	35	52 Å²	52	15%	0.154	27%	0.265	C	S	.	.	H	α-helix	trans	-55.9	-48.1	-166.4	-175.6	-99	0	0	0	114.2	Y21 C29 M30 M31 I125 W129	Y21-F27 HydrophobicContact CE2-CB 3.79Å; Y21-F27 VanDerWaalsContact CE2-N 3.34Å; Y21-F27 WeakPolarHBondContact OH-CB 2.92Å; Y21-F27 PolarHBondContact OH-N 3.37Å; F27-C29 PolarHBondContact O-N 3.05Å; F27-M30 PolarHBondContact O-N 2.86Å; F27-M31 HydrophobicContact CD1-CG 3.95Å; F27-M31 HydrophobicContact CD2-CG 4.25Å; F27-M31 HydrophobicContact CE1-CG 3.59Å; F27-M31 HydrophobicContact CE2-CG 3.91Å; F27-M31 HydrophobicContact CE2-SD 4.2Å; F27-M31 HydrophobicContact CG-CG 4.27Å; F27-M31 HydrophobicContact CZ-CG 3.56Å; F27-M31 HydrophobicContact CZ-SD 4.02Å; F27-M31 WeakPolarHBondContact O-CB 3.42Å; F27-M31 VanDerWaalsContact O-CG 3.3Å; F27-M31 WeakPolarHBondContact O-CG 3.2Å; F27-M31 PolarHBondContact O-N 3.39Å; F27-I125 HydrophobicContact CE2-CG2 4.37Å; F27-I125 HydrophobicContact CZ-CG2 4.09Å; F27-W129 HydrophobicContact CE1-CE3 4.23Å; F27-W129 HydrophobicContact CE1-CZ3 4.41Å; F27-W129 HydrophobicContact CE2-CB 4.31Å; F27-W129 HydrophobicContact CE2-CE3 4.13Å; F27-W129 AromaticContact CZ-CE3 3.85Å; F27-W129 HydrophobicContact CZ-CE3 3.85Å; F27-W129 HydrophobicContact CZ-CZ3 4.44Å
28	A	90.9	Very high	90.7	Very high	73 Å²	73	49.2 Å²	49.2	60%	0.603	26%	0.255	S	S	*	.	H	α-helix	trans	-63.5	-45	-174.3	0	0	0	0	0	112	G26 M31 L32	G26-A28 PolarHBondContact O-N 2.93Å; A28-M31 PolarHBondContact O-N 3.45Å; A28-L32 VanDerWaalsContact O-CB 3.26Å; A28-L32 WeakPolarHBondContact O-CB 3.08Å; A28-L32 PolarHBondContact O-N 3.49Å
29	C	91.1	Very high	91.2	Very high	66 Å²	66	52.6 Å²	52.6	45%	0.446	27%	0.272	S	S	.	.	H	α-helix	trans	-66.8	-39.1	178.1	-67.5	0	0	0	0	112.2	K24 N25 G26 F27 S33	K24-C29 WeakPolarHBondContact O-CB 3.32Å; N25-C29 HydrophobicContact CB-CB 4.46Å; G26-C29 PolarHBondContact O-N 3.44Å; F27-C29 PolarHBondContact O-N 3.05Å; C29-S33 WeakPolarHBondContact O-CB 3.5Å; C29-S33 PolarHBondContact O-N 3.35Å
30	M	90.3	Very high	91.4	Very high	10 Å²	10	57.2 Å²	57.2	5%	0.049	29%	0.294	C	S	.	.	H	α-helix	trans	-62.2	-49.1	173.1	-69.9	-176.7	83.3	0	0	112.2	Y21 K24 G26 F27 L32 S33 E34 Y128	Y21-M30 HydrophobicContact CD2-SD 3.69Å; Y21-M30 HydrophobicContact CG-SD 4.25Å; K24-M30 HydrophobicContact CB-CG 3.37Å; K24-M30 HydrophobicContact CB-SD 4.15Å; K24-M30 HydrophobicContact CG-CG 4.1Å; G26-M30 WeakPolarHBondContact O-CG 3.46Å; G26-M30 PolarHBondContact O-N 2.97Å; G26-M30 VanDerWaalsContact O-N 3.14Å; F27-M30 PolarHBondContact O-N 2.86Å; M30-L32 VanDerWaalsContact C-N 3.34Å; M30-L32 PolarHBondContact O-N 3.24Å; M30-S33 WeakPolarHBondContact O-CB 3.23Å; M30-S33 PolarHBondContact O-N 3.11Å; M30-E34 WeakPolarHBondContact O-CG 3.35Å; M30-E34 PolarHBondContact O-N 3.08Å; M30-Y128 HydrophobicContact CB-CD2 4.43Å; M30-Y128 HydrophobicContact CB-CE2 4.43Å; M30-Y128 HydrophobicContact CE-CD1 3.81Å; M30-Y128 HydrophobicContact CE-CD2 4.26Å; M30-Y128 HydrophobicContact CE-CE1 3.41Å; M30-Y128 VanDerWaalsContact CE-CE1 3.41Å; M30-Y128 HydrophobicContact CE-CE2 3.91Å; M30-Y128 HydrophobicContact CE-CG 4.24Å; M30-Y128 VanDerWaalsContact CE-CZ 3.47Å
31	M	90.4	Very high	91.7	Very high	40 Å²	40	54.6 Å²	54.6	20%	0.197	28%	0.281	C	S	.	.	H	α-helix	trans	-60.2	-44	179.3	-78.6	-53.2	-48.9	0	0	112.1	F27 A28 E34 F35 I125 Y128	F27-M31 HydrophobicContact CD1-CG 3.95Å; F27-M31 HydrophobicContact CD2-CG 4.25Å; F27-M31 HydrophobicContact CE1-CG 3.59Å; F27-M31 HydrophobicContact CE2-CG 3.91Å; F27-M31 HydrophobicContact CE2-SD 4.2Å; F27-M31 HydrophobicContact CG-CG 4.27Å; F27-M31 HydrophobicContact CZ-CG 3.56Å; F27-M31 HydrophobicContact CZ-SD 4.02Å; F27-M31 WeakPolarHBondContact O-CB 3.42Å; F27-M31 VanDerWaalsContact O-CG 3.3Å; F27-M31 WeakPolarHBondContact O-CG 3.2Å; F27-M31 PolarHBondContact O-N 3.39Å; A28-M31 PolarHBondContact O-N 3.45Å; M31-E34 PolarHBondContact O-N 2.66Å; M31-F35 VanDerWaalsContact O-CB 3.22Å; M31-F35 WeakPolarHBondContact O-CB 3.25Å; M31-F35 PolarHBondContact O-N 2.71Å; M31-I125 HydrophobicContact CE-CD1 3.52Å; M31-I125 HydrophobicContact CE-CG1 3.64Å; M31-I125 HydrophobicContact CE-CG2 4.29Å; M31-I125 HydrophobicContact SD-CB 4.15Å; M31-I125 HydrophobicContact SD-CD1 4.26Å; M31-I125 HydrophobicContact SD-CG1 3.72Å; M31-I125 HydrophobicContact SD-CG2 3.88Å; M31-Y128 HydrophobicContact SD-CD2 4.43Å
32	L	93.1	Very high	92	Very high	92 Å²	92	58.7 Å²	58.7	48%	0.482	30%	0.303	S	S	.	.	H	α-helix	trans	-67.1	-37.2	179.3	-167.3	63.1	0	0	0	112	A28 M30 F36	A28-L32 VanDerWaalsContact O-CB 3.26Å; A28-L32 WeakPolarHBondContact O-CB 3.08Å; A28-L32 PolarHBondContact O-N 3.49Å; M30-L32 VanDerWaalsContact C-N 3.34Å; M30-L32 PolarHBondContact O-N 3.24Å; L32-F36 HydrophobicContact CD1-CD2 3.85Å; L32-F36 HydrophobicContact CD1-CE2 3.42Å; L32-F36 VanDerWaalsContact CD1-CE2 3.42Å; L32-F36 HydrophobicContact CD1-CZ 4.17Å; L32-F36 HydrophobicContact CD2-CE2 4.13Å; L32-F36 HydrophobicContact CG-CD2 3.74Å; L32-F36 HydrophobicContact CG-CE2 3.58Å; L32-F36 WeakPolarHBondContact O-CB 3.38Å; L32-F36 VanDerWaalsContact O-CD2 3.3Å; L32-F36 WeakPolarHBondContact O-CD2 3.43Å; L32-F36 PolarHBondContact O-N 2.84Å
33	S	91.9	Very high	92.2	Very high	32 Å²	32	63.3 Å²	63.3	22%	0.224	32%	0.323	C	S	.	.	H	α-helix	trans	-59.4	-56.6	172.6	-167.4	0	0	0	0	110.9	K24 C29 M30 F35 F36 E37	K24-S33 PolarHBondContact NZ-OG 3.11Å; C29-S33 WeakPolarHBondContact O-CB 3.5Å; C29-S33 PolarHBondContact O-N 3.35Å; M30-S33 WeakPolarHBondContact O-CB 3.23Å; M30-S33 PolarHBondContact O-N 3.11Å; S33-F35 VanDerWaalsContact C-N 3.29Å; S33-F35 PolarHBondContact O-N 3.16Å; S33-F36 PolarHBondContact O-N 3.04Å; S33-E37 VanDerWaalsContact O-CG 3.27Å; S33-E37 WeakPolarHBondContact O-CG 3.35Å; S33-E37 PolarHBondContact O-N 2.97Å; S33-E37 PolarHBondContact OG-OE1 3.34Å; S33-E37 VanDerWaalsContact OG-OE1 3.08Å
34	E	91.5	Very high	92.3	Very high	34 Å²	34	60.8 Å²	60.8	16%	0.159	31%	0.312	C	S	.	.	H	α-helix	trans	-62.9	-36.9	-177.1	-61.1	-98.8	-155.2	0	0	111.6	M30 M31 L38 V121 Y128	M30-E34 WeakPolarHBondContact O-CG 3.35Å; M30-E34 PolarHBondContact O-N 3.08Å; M31-E34 PolarHBondContact O-N 2.66Å; E34-L38 WeakPolarHBondContact O-CG 3.2Å; E34-L38 PolarHBondContact O-N 3Å; E34-L38 VanDerWaalsContact O-N 3.15Å; E34-V121 HydrophobicContact CB-CG1 4.08Å; E34-V121 HydrophobicContact CB-CG2 4.28Å; E34-Y128 HydrophobicContact CG-CE2 4.37Å; E34-Y128 PolarHBondContact OE1-OH 2.59Å
35	F	92.4	Very high	92.5	Very high	114 Å²	114	57.5 Å²	57.5	50%	0.5	30%	0.3	S	S	.	.	H	α-helix	trans	-65.2	-49.4	175	178.2	-107.9	0	0	0	112.7	M31 S33 E37 L38 I39	M31-F35 VanDerWaalsContact O-CB 3.22Å; M31-F35 WeakPolarHBondContact O-CB 3.25Å; M31-F35 PolarHBondContact O-N 2.71Å; S33-F35 VanDerWaalsContact C-N 3.29Å; S33-F35 PolarHBondContact O-N 3.16Å; F35-E37 VanDerWaalsContact C-N 3.33Å; F35-E37 PolarHBondContact O-N 3.02Å; F35-L38 WeakPolarHBondContact O-CB 3.16Å; F35-L38 PolarHBondContact O-N 2.81Å; F35-I39 HydrophobicContact CD1-CD1 3.89Å; F35-I39 HydrophobicContact CE1-CD1 3.36Å; F35-I39 HydrophobicContact CE2-CD1 4.13Å; F35-I39 HydrophobicContact CG-CD1 4.49Å; F35-I39 HydrophobicContact CZ-CD1 3.51Å; F35-I39 HydrophobicContact CZ-CG1 4.47Å; F35-I39 PolarHBondContact O-N 3.01Å
36	F	94.8	Very high	92.8	Very high	102 Å²	102	56.6 Å²	56.6	45%	0.447	30%	0.298	S	S	.	.	H	α-helix	trans	-66.4	-34.7	177.5	-82.5	-54.3	0	0	0	112.5	L32 S33 L38 I39 Q40	L32-F36 HydrophobicContact CD1-CD2 3.85Å; L32-F36 HydrophobicContact CD1-CE2 3.42Å; L32-F36 VanDerWaalsContact CD1-CE2 3.42Å; L32-F36 HydrophobicContact CD1-CZ 4.17Å; L32-F36 HydrophobicContact CD2-CE2 4.13Å; L32-F36 HydrophobicContact CG-CD2 3.74Å; L32-F36 HydrophobicContact CG-CE2 3.58Å; L32-F36 WeakPolarHBondContact O-CB 3.38Å; L32-F36 VanDerWaalsContact O-CD2 3.3Å; L32-F36 WeakPolarHBondContact O-CD2 3.43Å; L32-F36 PolarHBondContact O-N 2.84Å; S33-F36 PolarHBondContact O-N 3.04Å; F36-L38 VanDerWaalsContact C-N 3.29Å; F36-L38 PolarHBondContact O-N 2.72Å; F36-I39 HydrophobicContact CD1-CD1 4.36Å; F36-I39 PolarHBondContact O-N 3.11Å; F36-Q40 WeakPolarHBondContact O-CB 3.47Å; F36-Q40 VanDerWaalsContact O-CG 3.26Å; F36-Q40 WeakPolarHBondContact O-CG 3.41Å; F36-Q40 PolarHBondContact O-N 3.4Å
37	E	91.9	Very high	93.1	Very high	68 Å²	68	60 Å²	60	32%	0.318	31%	0.312	S	S	.	.	H	α-helix	trans	-67.7	-28.2	175.4	-65.4	170.7	-146.1	0	0	112.7	S33 F35 F41 R117	S33-E37 VanDerWaalsContact O-CG 3.27Å; S33-E37 WeakPolarHBondContact O-CG 3.35Å; S33-E37 PolarHBondContact O-N 2.97Å; S33-E37 PolarHBondContact OG-OE1 3.34Å; S33-E37 VanDerWaalsContact OG-OE1 3.08Å; F35-E37 VanDerWaalsContact C-N 3.33Å; F35-E37 PolarHBondContact O-N 3.02Å; E37-F41 PolarHBondContact O-N 3.43Å; E37-R117 PolarHBondContact O-NH1 2.58Å; E37-R117 IonicContact OE2-NH2 2.77Å; E37-R117 PolarHBondContact OE2-NH2 2.94Å
38	L	94.1	Very high	93.3	Very high	12 Å²	12	59.5 Å²	59.5	6%	0.063	31%	0.312	C	S	.	.	H	α-helix	trans	-70	-41.7	169.6	-78.1	171.1	0	0	0	111.9	E34 F35 F36 L42 W114 R117 L118 V121	E34-L38 WeakPolarHBondContact O-CG 3.2Å; E34-L38 PolarHBondContact O-N 3Å; E34-L38 VanDerWaalsContact O-N 3.15Å; F35-L38 WeakPolarHBondContact O-CB 3.16Å; F35-L38 PolarHBondContact O-N 2.81Å; F36-L38 VanDerWaalsContact C-N 3.29Å; F36-L38 PolarHBondContact O-N 2.72Å; L38-L42 PolarHBondContact O-N 3.25Å; L38-W114 PolarHBondContact O-NE1 2.95Å; L38-R117 HydrophobicContact CD2-CB 4.1Å; L38-R117 HydrophobicContact CD2-CG 3.8Å; L38-L118 HydrophobicContact CD1-CD1 3.94Å; L38-V121 HydrophobicContact CD1-CB 4.08Å; L38-V121 HydrophobicContact CD1-CG1 4.05Å; L38-V121 HydrophobicContact CD1-CG2 3.95Å; L38-V121 HydrophobicContact CG-CG2 4.27Å
39	I	95.3	Very high	93.5	Very high	73 Å²	73	57.1 Å²	57.1	37%	0.374	29%	0.29	S	S	.	.	H	α-helix	trans	-65.1	-43.9	175.6	-70.2	175.4	0	0	0	110.8	F35 F36 F41 L42 F43	F35-I39 HydrophobicContact CD1-CD1 3.89Å; F35-I39 HydrophobicContact CE1-CD1 3.36Å; F35-I39 HydrophobicContact CE2-CD1 4.13Å; F35-I39 HydrophobicContact CG-CD1 4.49Å; F35-I39 HydrophobicContact CZ-CD1 3.51Å; F35-I39 HydrophobicContact CZ-CG1 4.47Å; F35-I39 PolarHBondContact O-N 3.01Å; F36-I39 HydrophobicContact CD1-CD1 4.36Å; F36-I39 PolarHBondContact O-N 3.11Å; I39-F41 VanDerWaalsContact C-N 3.31Å; I39-F41 PolarHBondContact O-N 3.38Å; I39-L42 PolarHBondContact O-N 3.05Å; I39-F43 VanDerWaalsContact O-CB 3.3Å; I39-F43 WeakPolarHBondContact O-CB 3.3Å; I39-F43 PolarHBondContact O-N 2.84Å
40	Q	93.5	Very high	93.6	Very high	100 Å²	100	57.3 Å²	57.3	47%	0.467	28%	0.283	S	S	.	.	H	α-helix	trans	-58.1	-42.6	178.7	-77.2	171.5	4.2	0	0	111.8	F36 F43 V44	F36-Q40 WeakPolarHBondContact O-CB 3.47Å; F36-Q40 VanDerWaalsContact O-CG 3.26Å; F36-Q40 WeakPolarHBondContact O-CG 3.41Å; F36-Q40 PolarHBondContact O-N 3.4Å; Q40-F43 PolarHBondContact O-N 3.29Å; Q40-V44 WeakPolarHBondContact O-CB 3.48Å; Q40-V44 VanDerWaalsContact O-CG2 3.31Å; Q40-V44 WeakPolarHBondContact O-CG2 3.46Å; Q40-V44 PolarHBondContact O-N 3.05Å
41	F	93.9	Very high	93.8	Very high	17 Å²	17	59.3 Å²	59.3	8%	0.075	29%	0.294	C	S	.	.	H	α-helix	trans	-61.6	-49.9	174.8	-176	-83.5	0	0	0	111.7	E37 I39 F43 V44 V45 A110 F113 W114 W278	E37-F41 PolarHBondContact O-N 3.43Å; I39-F41 VanDerWaalsContact C-N 3.31Å; I39-F41 PolarHBondContact O-N 3.38Å; F41-F43 VanDerWaalsContact C-N 3.34Å; F41-F43 PolarHBondContact O-N 3.43Å; F41-V44 PolarHBondContact O-N 3.33Å; F41-V45 HydrophobicContact CD1-CG2 4.21Å; F41-V45 HydrophobicContact CE1-CG2 3.82Å; F41-V45 HydrophobicContact CZ-CG2 4.04Å; F41-V45 WeakPolarHBondContact O-CG2 3.29Å; F41-V45 PolarHBondContact O-N 2.86Å; F41-V45 VanDerWaalsContact O-N 3.1Å; F41-A110 HydrophobicContact CE1-CB 4.25Å; F41-A110 HydrophobicContact CZ-CB 4.17Å; F41-F113 HydrophobicContact CD2-CD1 4.34Å; F41-F113 HydrophobicContact CD2-CE1 4.17Å; F41-F113 HydrophobicContact CE1-CD1 4.37Å; F41-F113 AromaticContact CE2-CD1 3.61Å; F41-F113 HydrophobicContact CE2-CD1 3.61Å; F41-F113 AromaticContact CE2-CE1 3.75Å; F41-F113 HydrophobicContact CE2-CE1 3.75Å; F41-F113 AromaticContact CZ-CD1 3.63Å; F41-F113 HydrophobicContact CZ-CD1 3.63Å; F41-F113 HydrophobicContact CZ-CE1 4.25Å; F41-W114 HydrophobicContact CD1-CB 4.14Å; F41-W114 AromaticContact CD1-CD1 3.62Å; F41-W114 HydrophobicContact CD1-CG 4.24Å; F41-W114 HydrophobicContact CE1-CB 3.96Å; F41-W278 HydrophobicContact CB-CH2 4.3Å; F41-W278 HydrophobicContact CD2-CE3 4.02Å; F41-W278 AromaticContact CD2-CH2 3.52Å; F41-W278 HydrophobicContact CD2-CH2 3.52Å; F41-W278 HydrophobicContact CD2-CZ2 4.14Å; F41-W278 AromaticContact CD2-CZ3 3.44Å; F41-W278 HydrophobicContact CD2-CZ3 3.44Å; F41-W278 VanDerWaalsContact CD2-CZ3 3.44Å; F41-W278 HydrophobicContact CE2-CD2 4.43Å; F41-W278 AromaticContact CE2-CE3 3.86Å; F41-W278 HydrophobicContact CE2-CE3 3.86Å; F41-W278 HydrophobicContact CE2-CH2 4.21Å; F41-W278 AromaticContact CE2-CZ3 3.73Å; F41-W278 HydrophobicContact CE2-CZ3 3.73Å; F41-W278 HydrophobicContact CG-CH2 4.24Å; F41-W278 HydrophobicContact CG-CZ3 4.19Å
42	L	95.3	Very high	93.9	Very high	86 Å²	86	61.6 Å²	61.6	45%	0.45	31%	0.31	S	S	.	.	H	α-helix	trans	-61.6	-42.7	179.5	-178.6	62.5	0	0	0	111.6	L38 I39 T46	L38-L42 PolarHBondContact O-N 3.25Å; I39-L42 PolarHBondContact O-N 3.05Å; L42-T46 VanDerWaalsContact O-CB 3.26Å; L42-T46 WeakPolarHBondContact O-CB 3.12Å; L42-T46 PolarHBondContact O-N 3.36Å; L42-T46 PolarHBondContact O-OG1 3.16Å
43	F	95.8	Very high	93.8	Very high	115 Å²	115	57.9 Å²	57.9	50%	0.504	29%	0.29	S	S	.	.	H	α-helix	trans	-60.6	-51.1	176.7	174.9	-99.9	0	0	0	111.5	I39 Q40 F41 V45 T46 F47	I39-F43 VanDerWaalsContact O-CB 3.3Å; I39-F43 WeakPolarHBondContact O-CB 3.3Å; I39-F43 PolarHBondContact O-N 2.84Å; Q40-F43 PolarHBondContact O-N 3.29Å; F41-F43 VanDerWaalsContact C-N 3.34Å; F41-F43 PolarHBondContact O-N 3.43Å; F43-V45 PolarHBondContact O-N 3.47Å; F43-T46 PolarHBondContact O-N 2.81Å; F43-F47 HydrophobicContact CD2-CB 4.5Å; F43-F47 HydrophobicContact CE1-CD1 4.36Å; F43-F47 HydrophobicContact CE2-CB 4.22Å; F43-F47 HydrophobicContact CE2-CG 4.31Å; F43-F47 HydrophobicContact CZ-CB 4.23Å; F43-F47 HydrophobicContact CZ-CD1 4.04Å; F43-F47 HydrophobicContact CZ-CG 4.08Å; F43-F47 WeakPolarHBondContact O-CB 3.33Å; F43-F47 PolarHBondContact O-N 3.28Å
44	V	94.8	Very high	93.8	Very high	9 Å²	9	57.1 Å²	57.1	6%	0.055	29%	0.285	C	S	.	.	H	α-helix	trans	-58.7	-46.3	179.9	167.5	0	0	0	0	111.3	Q40 F41 T48 W278 L281 F285	Q40-V44 WeakPolarHBondContact O-CB 3.48Å; Q40-V44 VanDerWaalsContact O-CG2 3.31Å; Q40-V44 WeakPolarHBondContact O-CG2 3.46Å; Q40-V44 PolarHBondContact O-N 3.05Å; F41-V44 PolarHBondContact O-N 3.33Å; V44-T48 VanDerWaalsContact O-CB 3.25Å; V44-T48 WeakPolarHBondContact O-CB 3.47Å; V44-T48 PolarHBondContact O-N 2.8Å; V44-T48 PolarHBondContact O-OG1 3.08Å; V44-W278 HydrophobicContact CB-CH2 4.42Å; V44-W278 HydrophobicContact CB-CZ3 4.07Å; V44-W278 HydrophobicContact CG1-CE3 4.4Å; V44-W278 HydrophobicContact CG1-CH2 4.41Å; V44-W278 HydrophobicContact CG1-CZ3 3.78Å; V44-L281 HydrophobicContact CG1-CB 4.04Å; V44-F285 HydrophobicContact CB-CD2 4.41Å; V44-F285 HydrophobicContact CG1-CD2 3.93Å; V44-F285 HydrophobicContact CG1-CE2 4.03Å; V44-F285 HydrophobicContact CG2-CD2 3.92Å
45	V	94.4	Very high	93.9	Very high	29 Å²	29	56.4 Å²	56.4	18%	0.176	28%	0.283	C	S	.	.	H	α-helix	trans	-66.7	-49.9	-179.9	174.7	0	0	0	0	111.5	F41 F43 T49 L107 A110	F41-V45 HydrophobicContact CD1-CG2 4.21Å; F41-V45 HydrophobicContact CE1-CG2 3.82Å; F41-V45 HydrophobicContact CZ-CG2 4.04Å; F41-V45 WeakPolarHBondContact O-CG2 3.29Å; F41-V45 PolarHBondContact O-N 2.86Å; F41-V45 VanDerWaalsContact O-N 3.1Å; F43-V45 PolarHBondContact O-N 3.47Å; V45-T49 WeakPolarHBondContact O-CB 3.4Å; V45-T49 PolarHBondContact O-N 3.44Å; V45-T49 PolarHBondContact O-OG1 3.39Å; V45-L107 HydrophobicContact CG1-CD2 3.87Å; V45-A110 HydrophobicContact CG1-CB 4.12Å; V45-A110 HydrophobicContact CG2-CB 4.25Å
46	T	94.2	Very high	93.8	Very high	79 Å²	79	53 Å²	53	49%	0.485	27%	0.269	S	S	.	.	H	α-helix	trans	-66.6	-44.2	-177.9	-58.4	0	0	0	0	111.8	L42 F43 T49 F50	L42-T46 VanDerWaalsContact O-CB 3.26Å; L42-T46 WeakPolarHBondContact O-CB 3.12Å; L42-T46 PolarHBondContact O-N 3.36Å; L42-T46 PolarHBondContact O-OG1 3.16Å; F43-T46 PolarHBondContact O-N 2.81Å; T46-T49 PolarHBondContact O-N 3Å; T46-F50 WeakPolarHBondContact O-CB 3.43Å; T46-F50 PolarHBondContact O-N 3.36Å
47	F	95.4	Very high	93.5	Very high	74 Å²	74	52.8 Å²	52.8	33%	0.325	27%	0.266	S	S	.	.	H	α-helix	trans	-68.2	-39.8	-179.3	-172.9	-122.6	0	0	0	111.9	F43 T49 F50 L51 F285	F43-F47 HydrophobicContact CD2-CB 4.5Å; F43-F47 HydrophobicContact CE1-CD1 4.36Å; F43-F47 HydrophobicContact CE2-CB 4.22Å; F43-F47 HydrophobicContact CE2-CG 4.31Å; F43-F47 HydrophobicContact CZ-CB 4.23Å; F43-F47 HydrophobicContact CZ-CD1 4.04Å; F43-F47 HydrophobicContact CZ-CG 4.08Å; F43-F47 WeakPolarHBondContact O-CB 3.33Å; F43-F47 PolarHBondContact O-N 3.28Å; F47-T49 PolarHBondContact O-N 3.21Å; F47-F50 HydrophobicContact CD2-CD1 4.37Å; F47-F50 HydrophobicContact CE2-CD1 4.42Å; F47-F50 PolarHBondContact O-N 3.01Å; F47-L51 HydrophobicContact CD1-CD1 4.07Å; F47-L51 HydrophobicContact CE1-CD1 3.7Å; F47-L51 HydrophobicContact CE1-CG 4.34Å; F47-L51 HydrophobicContact CE2-CD1 4.48Å; F47-L51 HydrophobicContact CE2-CD2 4.25Å; F47-L51 HydrophobicContact CE2-CG 4.25Å; F47-L51 HydrophobicContact CZ-CD1 3.92Å; F47-L51 HydrophobicContact CZ-CD2 4.13Å; F47-L51 HydrophobicContact CZ-CG 4.14Å; F47-L51 WeakPolarHBondContact O-CG 3.44Å; F47-L51 PolarHBondContact O-N 2.96Å; F47-F285 AromaticContact CD1-CE1 3.71Å; F47-F285 HydrophobicContact CD1-CE1 3.71Å; F47-F285 AromaticContact CD1-CZ 3.89Å; F47-F285 HydrophobicContact CD1-CZ 3.89Å; F47-F285 AromaticContact CE1-CE1 3.85Å; F47-F285 HydrophobicContact CE1-CE1 3.85Å; F47-F285 HydrophobicContact CE1-CZ 4.38Å
48	T	94.6	Very high	93.3	Very high	25 Å²	25	53.8 Å²	53.8	15%	0.153	27%	0.273	C	S	.	.	H	α-helix	trans	-61.6	-45.1	172.6	-54.8	0	0	0	0	111	V44 F50 L51 V52 L281 F285	V44-T48 VanDerWaalsContact O-CB 3.25Å; V44-T48 WeakPolarHBondContact O-CB 3.47Å; V44-T48 PolarHBondContact O-N 2.8Å; V44-T48 PolarHBondContact O-OG1 3.08Å; T48-F50 VanDerWaalsContact C-N 3.32Å; T48-F50 PolarHBondContact O-N 2.94Å; T48-L51 PolarHBondContact O-N 3.14Å; T48-V52 HydrophobicContact CG2-CG2 4.45Å; T48-V52 WeakPolarHBondContact O-CG2 3.43Å; T48-V52 PolarHBondContact O-N 3.34Å; T48-L281 HydrophobicContact CG2-CD1 3.97Å; T48-L281 HydrophobicContact CG2-CD2 3.64Å; T48-L281 HydrophobicContact CG2-CG 4.48Å; T48-F285 WeakPolarHBondContact OG1-CE2 3.26Å
49	T	93.8	Very high	92.9	Very high	23 Å²	23	53.6 Å²	53.6	14%	0.141	27%	0.273	C	S	.	.	H	α-helix	trans	-62.9	-39.7	178.5	-54.5	0	0	0	0	111.6	V45 T46 F47 N53 I97 I103 L107	V45-T49 WeakPolarHBondContact O-CB 3.4Å; V45-T49 PolarHBondContact O-N 3.44Å; V45-T49 PolarHBondContact O-OG1 3.39Å; T46-T49 PolarHBondContact O-N 3Å; F47-T49 PolarHBondContact O-N 3.21Å; T49-N53 PolarHBondContact O-N 3.49Å; T49-N53 VanDerWaalsContact O-N 3.13Å; T49-N53 PolarHBondContact O-ND2 2.99Å; T49-I97 HydrophobicContact CG2-CD1 4.1Å; T49-I97 HydrophobicContact CG2-CG1 4.42Å; T49-I103 HydrophobicContact CG2-CG2 4.26Å; T49-L107 HydrophobicContact CG2-CD1 4.14Å; T49-L107 HydrophobicContact CG2-CD2 4.32Å
50	F	94.3	Very high	92.4	Very high	69 Å²	69	53.6 Å²	53.6	30%	0.303	27%	0.273	S	S	.	.	H	α-helix	trans	-62.1	-49.4	174.3	172.2	-94	0	0	0	112	T46 F47 T48 V52 N53 C54 V55 I87	T46-F50 WeakPolarHBondContact O-CB 3.43Å; T46-F50 PolarHBondContact O-N 3.36Å; F47-F50 HydrophobicContact CD2-CD1 4.37Å; F47-F50 HydrophobicContact CE2-CD1 4.42Å; F47-F50 PolarHBondContact O-N 3.01Å; T48-F50 VanDerWaalsContact C-N 3.32Å; T48-F50 PolarHBondContact O-N 2.94Å; F50-V52 VanDerWaalsContact C-N 3.32Å; F50-V52 PolarHBondContact O-N 2.98Å; F50-N53 PolarHBondContact O-N 2.87Å; F50-C54 HydrophobicContact CD2-CB 3.52Å; F50-C54 HydrophobicContact CE2-CB 3.62Å; F50-C54 HydrophobicContact CG-CB 4.24Å; F50-C54 HydrophobicContact CZ-CB 4.42Å; F50-C54 WeakPolarHBondContact O-CA 3.42Å; F50-C54 WeakPolarHBondContact O-CB 3.47Å; F50-C54 PolarHBondContact O-N 2.77Å; F50-V55 HydrophobicContact CD1-CG2 4.31Å; F50-V55 HydrophobicContact CE1-CG2 3.81Å; F50-V55 HydrophobicContact CZ-CG2 4.25Å; F50-I87 HydrophobicContact CE2-CG2 4.2Å; F50-I87 HydrophobicContact CZ-CD1 4.22Å; F50-I87 HydrophobicContact CZ-CG1 4.21Å; F50-I87 HydrophobicContact CZ-CG2 4.23Å
51	L	93.8	Very high	92.1	Very high	52 Å²	52	55.5 Å²	55.5	27%	0.272	28%	0.28	S	S	.	.	H	α-helix	trans	-60.3	-40.8	178.5	-70.8	176.4	0	0	0	112.2	F47 T48 V55 Y57	F47-L51 HydrophobicContact CD1-CD1 4.07Å; F47-L51 HydrophobicContact CE1-CD1 3.7Å; F47-L51 HydrophobicContact CE1-CG 4.34Å; F47-L51 HydrophobicContact CE2-CD1 4.48Å; F47-L51 HydrophobicContact CE2-CD2 4.25Å; F47-L51 HydrophobicContact CE2-CG 4.25Å; F47-L51 HydrophobicContact CZ-CD1 3.92Å; F47-L51 HydrophobicContact CZ-CD2 4.13Å; F47-L51 HydrophobicContact CZ-CG 4.14Å; F47-L51 WeakPolarHBondContact O-CG 3.44Å; F47-L51 PolarHBondContact O-N 2.96Å; T48-L51 PolarHBondContact O-N 3.14Å; L51-V55 HydrophobicContact CD2-CG2 4.27Å; L51-Y57 WeakPolarHBondContact O-CE2 3.46Å; L51-Y57 PolarHBondContact O-OH 3Å
52	V	92.3	Very high	91.3	Very high	89 Å²	89	58 Å²	58	54%	0.539	30%	0.304	S	S	.	.	H	α-helix	trans	-72.2	-33.1	-178	172.2	0	0	0	0	113.1	T48 F50 I103	T48-V52 HydrophobicContact CG2-CG2 4.45Å; T48-V52 WeakPolarHBondContact O-CG2 3.43Å; T48-V52 PolarHBondContact O-N 3.34Å; F50-V52 VanDerWaalsContact C-N 3.32Å; F50-V52 PolarHBondContact O-N 2.98Å; V52-I103 HydrophobicContact CG1-CD1 3.94Å
53	N	91.9	Very high	90.5	Very high	13 Å²	13	59.5 Å²	59.5	7%	0.07	31%	0.313	C	S	.	.	H	α-helix	trans	-117.9	-30.7	-168.4	-57.5	-83.2	0	0	0	115.2	T49 F50 C93 R96 I97 I103	T49-N53 PolarHBondContact O-N 3.49Å; T49-N53 VanDerWaalsContact O-N 3.13Å; T49-N53 PolarHBondContact O-ND2 2.99Å; F50-N53 PolarHBondContact O-N 2.87Å; N53-C93 VanDerWaalsContact C-SG 3.56Å; N53-R96 WeakPolarHBondContact O-CD 3.29Å; N53-I97 HydrophobicContact CB-CD1 4.27Å; N53-I97 HydrophobicContact CB-CG1 3.65Å; N53-I103 WeakPolarHBondContact OD1-CD1 3.1Å
54	C	92.5	Very high	89.3	Confident	17 Å²	17	61.3 Å²	61.3	12%	0.115	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-7.8	-173.2	-56.9	0	0	0	0	114.3	F50 V88 C93	F50-C54 HydrophobicContact CD2-CB 3.52Å; F50-C54 HydrophobicContact CE2-CB 3.62Å; F50-C54 HydrophobicContact CG-CB 4.24Å; F50-C54 HydrophobicContact CZ-CB 4.42Å; F50-C54 WeakPolarHBondContact O-CA 3.42Å; F50-C54 WeakPolarHBondContact O-CB 3.47Å; F50-C54 PolarHBondContact O-N 2.77Å; C54-V88 WeakPolarHBondContact O-CB 3.44Å; C54-V88 WeakPolarHBondContact O-CG2 3.32Å; C54-V88 PolarHBondContact O-N 3.39Å; C54-C93 WeakPolarHBondContact CA-SG 3.43Å; C54-C93 HydrophobicContact CB-CB 3.84Å; C54-C93 WeakPolarHBondContact CB-SG 3.36Å; C54-C93 PolarHBondContact N-SG 3.11Å; C54-C93 VanDerWaalsContact N-SG 3.4Å; C54-C93 WeakPolarHBondContact SG-CB 3.35Å; C54-C93 CovalentContact SG-SG 2.03Å; C54-C93 PolarHBondContact SG-SG 2.77Å
55	V	92.9	Very high	87.9	Confident	19 Å²	19	64.9 Å²	64.9	12%	0.115	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-101.8	123.5	-180	-178.9	0	0	0	0	109.9	F50 L51 Y57 L60	F50-V55 HydrophobicContact CD1-CG2 4.31Å; F50-V55 HydrophobicContact CE1-CG2 3.81Å; F50-V55 HydrophobicContact CZ-CG2 4.25Å; L51-V55 HydrophobicContact CD2-CG2 4.27Å; V55-Y57 HydrophobicContact CB-CE2 4.15Å; V55-Y57 HydrophobicContact CG1-CD1 4.19Å; V55-Y57 HydrophobicContact CG1-CD2 4.38Å; V55-Y57 HydrophobicContact CG1-CE1 4Å; V55-Y57 HydrophobicContact CG1-CE2 4.19Å; V55-Y57 HydrophobicContact CG1-CG 4.38Å; V55-Y57 PolarHBondContact O-N 2.7Å; V55-L60 HydrophobicContact CG1-CD2 4.24Å
56	E	90.3	Very high	86.4	Confident	43 Å²	43	65.2 Å²	65.2	20%	0.201	35%	0.349	C	S	.	.			trans	-92.2	90.8	174.4	-169.6	147.4	-69.5	0	0	110.2	D58 V59 L60 R64 A86 V88 R96	E56-D58 PolarHBondContact O-N 2.71Å; E56-V59 HydrophobicContact CG-CB 4.48Å; E56-V59 HydrophobicContact CG-CG2 4.09Å; E56-V59 PolarHBondContact O-N 3.09Å; E56-V59 VanDerWaalsContact O-N 3.11Å; E56-L60 PolarHBondContact O-N 2.68Å; E56-L60 VanDerWaalsContact O-N 3.14Å; E56-R64 IonicContact OE2-NH1 2.76Å; E56-R64 PolarHBondContact OE2-NH1 2.98Å; E56-R64 VanDerWaalsContact OE2-NH1 3.12Å; E56-A86 PolarHBondContact N-O 3.35Å; E56-V88 HydrophobicContact CB-CG2 4.04Å; E56-R96 IonicContact OE1-CZ 2.85Å; E56-R96 IonicContact OE1-NH1 3.15Å; E56-R96 IonicContact OE1-NH2 2.69Å; E56-R96 PolarHBondContact OE1-NH2 2.9Å
57	Y	89.1	Confident	84.7	Confident	96 Å²	96	67.9 Å²	67.9	38%	0.376	36%	0.36	S	S	.	.	H	α-helix	trans	-59.9	-28.8	-175.1	-71.4	-77.5	0	0	0	114.2	L51 V55 V59 L60 F61	L51-Y57 WeakPolarHBondContact O-CE2 3.46Å; L51-Y57 PolarHBondContact O-OH 3Å; V55-Y57 HydrophobicContact CB-CE2 4.15Å; V55-Y57 HydrophobicContact CG1-CD1 4.19Å; V55-Y57 HydrophobicContact CG1-CD2 4.38Å; V55-Y57 HydrophobicContact CG1-CE1 4Å; V55-Y57 HydrophobicContact CG1-CE2 4.19Å; V55-Y57 HydrophobicContact CG1-CG 4.38Å; V55-Y57 PolarHBondContact O-N 2.7Å; Y57-V59 VanDerWaalsContact C-N 3.32Å; Y57-V59 PolarHBondContact O-N 2.95Å; Y57-L60 HydrophobicContact CD1-CD2 4.19Å; Y57-L60 HydrophobicContact CE1-CD2 4.43Å; Y57-L60 PolarHBondContact O-N 3.2Å; Y57-F61 AromaticContact CD1-CE2 3.92Å; Y57-F61 HydrophobicContact CD1-CE2 3.92Å; Y57-F61 AromaticContact CD1-CZ 3.81Å; Y57-F61 HydrophobicContact CD1-CZ 3.81Å; Y57-F61 HydrophobicContact CG-CE2 4.28Å; Y57-F61 WeakPolarHBondContact O-CB 3.35Å; Y57-F61 WeakPolarHBondContact O-CD2 3.2Å; Y57-F61 VanDerWaalsContact O-CG 3.32Å; Y57-F61 WeakPolarHBondContact O-CG 3.42Å; Y57-F61 PolarHBondContact O-N 2.96Å
58	D	86.8	Confident	82.8	Confident	90 Å²	90	68.2 Å²	68.2	48%	0.481	36%	0.362	S	S	.	.	H	α-helix	trans	-67.5	-31	176.4	-70.8	-48.8	0	0	0	113.7	E56 A62 N63 R64	E56-D58 PolarHBondContact O-N 2.71Å; D58-A62 PolarHBondContact O-N 3.16Å; D58-N63 HydrophobicContact CB-CB 4.23Å; D58-N63 WeakPolarHBondContact O-CB 3.21Å; D58-N63 PolarHBondContact O-N 2.8Å; D58-N63 PolarHBondContact OD1-ND2 3Å; D58-R64 HydrophobicContact CB-CB 4.49Å; D58-R64 PolarHBondContact O-N 3.1Å
59	V	85.4	Confident	80.7	Confident	8 Å²	8	73.8 Å²	73.8	5%	0.048	40%	0.396	C	S	.	.	H	α-helix	trans	-76.1	-44.5	171.5	171.3	0	0	0	0	109.7	E56 Y57 F61 A62 R64 V66 V81 D85 A86	E56-V59 HydrophobicContact CG-CB 4.48Å; E56-V59 HydrophobicContact CG-CG2 4.09Å; E56-V59 PolarHBondContact O-N 3.09Å; E56-V59 VanDerWaalsContact O-N 3.11Å; Y57-V59 VanDerWaalsContact C-N 3.32Å; Y57-V59 PolarHBondContact O-N 2.95Å; V59-F61 VanDerWaalsContact C-N 3.34Å; V59-F61 PolarHBondContact O-N 3.28Å; V59-A62 PolarHBondContact O-N 3.49Å; V59-R64 HydrophobicContact CG2-CB 4.4Å; V59-V66 HydrophobicContact CG1-CG2 3.49Å; V59-V66 VanDerWaalsContact CG1-CG2 3.49Å; V59-V66 HydrophobicContact CG2-CG2 4.42Å; V59-V81 HydrophobicContact CG1-CG1 3.95Å; V59-D85 HydrophobicContact CG1-CB 4.44Å; V59-A86 HydrophobicContact CG1-CB 4.32Å
60	L	86.6	Confident	78.5	Confident	73 Å²	73	75.6 Å²	75.6	38%	0.382	42%	0.42	S	S	.	.	H	α-helix	trans	-61.6	-37.8	-179.8	-172.2	63.3	0	0	0	113.4	V55 E56 Y57 A62 L83 A86	V55-L60 HydrophobicContact CG1-CD2 4.24Å; E56-L60 PolarHBondContact O-N 2.68Å; E56-L60 VanDerWaalsContact O-N 3.14Å; Y57-L60 HydrophobicContact CD1-CD2 4.19Å; Y57-L60 HydrophobicContact CE1-CD2 4.43Å; Y57-L60 PolarHBondContact O-N 3.2Å; L60-A62 VanDerWaalsContact C-N 3.29Å; L60-L83 HydrophobicContact CD1-CD1 4.38Å; L60-A86 HydrophobicContact CB-CB 3.91Å; L60-A86 HydrophobicContact CD1-CB 4.04Å
61	F	85.8	Confident	76.2	Confident	139 Å²	139	82.2 Å²	82.2	61%	0.61	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	5.2	176.7	-59.2	-36.8	0	0	0	113.5	Y57 V59 N63	Y57-F61 AromaticContact CD1-CE2 3.92Å; Y57-F61 HydrophobicContact CD1-CE2 3.92Å; Y57-F61 AromaticContact CD1-CZ 3.81Å; Y57-F61 HydrophobicContact CD1-CZ 3.81Å; Y57-F61 HydrophobicContact CG-CE2 4.28Å; Y57-F61 WeakPolarHBondContact O-CB 3.35Å; Y57-F61 WeakPolarHBondContact O-CD2 3.2Å; Y57-F61 VanDerWaalsContact O-CG 3.32Å; Y57-F61 WeakPolarHBondContact O-CG 3.42Å; Y57-F61 PolarHBondContact O-N 2.96Å; V59-F61 VanDerWaalsContact C-N 3.34Å; V59-F61 PolarHBondContact O-N 3.28Å; F61-N63 PolarHBondContact O-N 3.01Å
62	A	76.7	Confident	74.2	Confident	71 Å²	71	82.9 Å²	82.9	59%	0.587	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	23.2	-177.6	0	0	0	0	0	115.1	D58 V59 L60 R64	D58-A62 PolarHBondContact O-N 3.16Å; V59-A62 PolarHBondContact O-N 3.49Å; L60-A62 VanDerWaalsContact C-N 3.29Å; A62-R64 PolarHBondContact O-N 3.24Å
63	N	78.6	Confident	71.9	Confident	117 Å²	117	87 Å²	87	63%	0.626	49%	0.485	S	S	*	.	S	Bend	trans	-63.1	-29.5	167.1	-64.6	-23.2	0	0	0	110.9	D58 F61	D58-N63 HydrophobicContact CB-CB 4.23Å; D58-N63 WeakPolarHBondContact O-CB 3.21Å; D58-N63 PolarHBondContact O-N 2.8Å; D58-N63 PolarHBondContact OD1-ND2 3Å; F61-N63 PolarHBondContact O-N 3.01Å
64	R	71.8	Confident	69.7	Low	152 Å²	152	91.6 Å²	91.6	57%	0.574	51%	0.509	S	S	*	.	S	Bend	trans	-120.8	123.1	178	-170.9	-179	-172.8	-170.9	4.6	110.3	E56 D58 V59 A62	E56-R64 IonicContact OE2-NH1 2.76Å; E56-R64 PolarHBondContact OE2-NH1 2.98Å; E56-R64 VanDerWaalsContact OE2-NH1 3.12Å; D58-R64 HydrophobicContact CB-CB 4.49Å; D58-R64 PolarHBondContact O-N 3.1Å; V59-R64 HydrophobicContact CG2-CB 4.4Å; A62-R64 PolarHBondContact O-N 3.24Å
65	A	63.9	Low	67.6	Low	84 Å²	84	97 Å²	97	69%	0.694	54%	0.544	S	S	*	.			trans	-71.6	135.2	176.2	0	0	0	0	0	111.8
66	V	63.1	Low	65.4	Low	37 Å²	37	106.7 Å²	106.7	22%	0.224	58%	0.58	C	S	.	*			trans	-92.6	114.2	172.7	-177.4	0	0	0	0	109.3	V59 H68 D85	V59-V66 HydrophobicContact CG1-CG2 3.49Å; V59-V66 VanDerWaalsContact CG1-CG2 3.49Å; V59-V66 HydrophobicContact CG2-CG2 4.42Å; V66-H68 PolarHBondContact O-N 2.74Å; V66-H68 VanDerWaalsContact O-N 3.13Å; V66-D85 HydrophobicContact CG2-CB 4.41Å
67	N	59.1	Low	63.3	Low	135 Å²	135	110.9 Å²	110.9	72%	0.722	60%	0.6	S	S	*	*			trans	-82.2	85.9	174.7	-69.8	-15.4	0	0	0	109.7	T69	N67-T69 VanDerWaalsContact C-N 3.34Å; N67-T69 PolarHBondContact O-N 3.05Å
68	H	56.7	Low	61.6	Low	81 Å²	81	117.6 Å²	117.6	38%	0.375	63%	0.625	S	S	.	*			trans	-65.8	98	161.8	-59.9	-73	0	0	0	108.4	V66 G70 D85	V66-H68 PolarHBondContact O-N 2.74Å; V66-H68 VanDerWaalsContact O-N 3.13Å; H68-G70 PolarHBondContact O-N 2.92Å; H68-D85 IonicContact CE1-OD1 3.36Å; H68-D85 PolarHBondContact CE1-OD1 3.04Å; H68-D85 IonicContact CE1-OD2 3.41Å; H68-D85 PolarHBondContact CE1-OD2 2.91Å; H68-D85 IonicContact NE2-OD2 3.6Å
69	T	49.9	Very low	60.3	Low	141 Å²	141	117.8 Å²	117.8	87%	0.865	63%	0.626	S	S	*	*			trans	-75.4	63.1	171.1	50.9	0	0	0	0	110.4	N67	N67-T69 VanDerWaalsContact C-N 3.34Å; N67-T69 PolarHBondContact O-N 3.05Å
70	G	47.4	Very low	59.4	Low	62 Å²	62	125.7 Å²	125.7	64%	0.639	66%	0.659	S	S	*	*			trans	-88.9	127.4	163	0	0	0	0	0	109.1	H68 G72	H68-G70 PolarHBondContact O-N 2.92Å; G70-G72 PolarHBondContact O-N 3.47Å
71	Q	45.4	Very low	58.9	Low	207 Å²	207	124.9 Å²	124.9	97%	0.967	66%	0.657	S	S	*	*	S	Bend	trans	-69.8	106.2	178.6	-77.6	-179.3	-39.6	0	0	111
72	G	51.6	Low	58.7	Low	67 Å²	67	121.4 Å²	121.4	69%	0.691	65%	0.648	S	S	*	*			trans	89.5	88.3	156.9	0	0	0	0	0	116.7	G70	G70-G72 PolarHBondContact O-N 3.47Å
73	Q	45.2	Very low	59	Low	175 Å²	175	123.9 Å²	123.9	82%	0.818	65%	0.65	S	S	*	*			trans	-159.1	137.9	141.5	-111.1	157.2	-2.1	0	0	112.5
74	N	44.2	Very low	59.4	Low	109 Å²	109	122.6 Å²	122.6	58%	0.583	65%	0.648	S	S	*	*			trans	21.7	120.3	162.3	-59.2	-26.8	0	0	0	121.1	Y76	N74-Y76 PolarHBondContact O-N 3.11Å
75	P	48.9	Very low	59.9	Low	130 Å²	130	117.9 Å²	117.9	84%	0.844	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	-0.7	175.2	-22.4	33.7	0	0	0	117.5
76	Y	46.5	Very low	61	Low	223 Å²	223	114 Å²	114	88%	0.875	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	-11.3	-172.5	-76.2	-81.1	0	0	0	114.3	N74	N74-Y76 PolarHBondContact O-N 3.11Å
77	E	46.3	Very low	62.3	Low	131 Å²	131	115.7 Å²	115.7	61%	0.612	61%	0.609	S	S	*	*	S	Bend	trans	-90	106.4	168.8	-72.3	-170.7	110.6	0	0	109.4	N79	E77-N79 PolarHBondContact O-N 2.89Å
78	R	53.1	Low	63.7	Low	238 Å²	238	109.8 Å²	109.8	90%	0.898	58%	0.578	S	S	*	*			trans	-56.4	114.4	161.9	-88.9	-179.5	170.3	165.2	-3.5	107.7	K80	R78-K80 PolarHBondContact O-N 2.75Å
79	N	60.5	Low	65.4	Low	94 Å²	94	109.8 Å²	109.8	50%	0.503	59%	0.585	S	S	.	*			trans	-42.1	107.3	169.5	-79.6	-9.7	0	0	0	109.9	E77 V81	E77-N79 PolarHBondContact O-N 2.89Å; N79-V81 PolarHBondContact O-N 3.17Å; N79-V81 VanDerWaalsContact O-N 3.13Å
80	K	66.4	Low	67.2	Low	173 Å²	173	107.7 Å²	107.7	75%	0.752	58%	0.576	S	S	*	*			trans	-74.5	106	-177.8	-68.5	176.3	-178.5	167.9	0	108	R78 T82	R78-K80 PolarHBondContact O-N 2.75Å; K80-T82 WeakPolarHBondContact O-CG2 3.23Å; K80-T82 PolarHBondContact O-N 3.34Å; K80-T82 VanDerWaalsContact O-N 3.14Å
81	V	75.7	Confident	69.2	Low	56 Å²	56	112 Å²	112	34%	0.339	58%	0.58	S	S	.	*			trans	-51.9	119.8	175.9	-179.5	0	0	0	0	108.8	V59 N79 D85	V59-V81 HydrophobicContact CG1-CG1 3.95Å; N79-V81 PolarHBondContact O-N 3.17Å; N79-V81 VanDerWaalsContact O-N 3.13Å; V81-D85 HydrophobicContact CG1-CB 4.31Å
82	T	81.6	Confident	71.3	Confident	67 Å²	67	106.8 Å²	106.8	41%	0.411	56%	0.555	S	S	.	*			trans	-91.4	154.7	178.4	75.1	0	0	0	0	110	K80 P84 D85	K80-T82 WeakPolarHBondContact O-CG2 3.23Å; K80-T82 PolarHBondContact O-N 3.34Å; K80-T82 VanDerWaalsContact O-N 3.14Å; T82-P84 VanDerWaalsContact C-N 3.32Å; T82-P84 WeakPolarHBondContact OG1-CD 2.99Å; T82-D85 WeakPolarHBondContact CA-OD2 3.48Å; T82-D85 VanDerWaalsContact CB-OD2 3.31Å; T82-D85 WeakPolarHBondContact CB-OD2 3.49Å; T82-D85 PolarHBondContact N-OD2 3.17Å; T82-D85 WeakPolarHBondContact O-CB 3.22Å; T82-D85 PolarHBondContact O-N 3.14Å; T82-D85 PolarHBondContact OG1-OD2 3.3Å
83	L	83.5	Confident	73.2	Confident	123 Å²	123	103.8 Å²	103.8	64%	0.644	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-56.9	-38.4	-179.7	-173.2	66.7	0	0	0	113.2	L60 D85 A86 I87	L60-L83 HydrophobicContact CD1-CD1 4.38Å; L83-D85 VanDerWaalsContact C-N 3.29Å; L83-D85 PolarHBondContact O-N 2.88Å; L83-A86 PolarHBondContact O-N 3.1Å; L83-I87 WeakPolarHBondContact O-CG1 3.33Å
84	P	85.8	Confident	75.4	Confident	90 Å²	90	98.7 Å²	98.7	58%	0.584	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-57.9	-31.6	171.3	-28.3	36.8	0	0	0	115.4	T82 A86 I87	T82-P84 VanDerWaalsContact C-N 3.32Å; T82-P84 WeakPolarHBondContact OG1-CD 2.99Å; P84-A86 PolarHBondContact O-N 2.9Å; P84-I87 PolarHBondContact O-N 3.24Å
85	D	83.1	Confident	77.7	Confident	53 Å²	53	98.8 Å²	98.8	28%	0.283	50%	0.502	S	S	.	.	G	3₁₀ helix	trans	-68.6	-26	-178.3	-56.4	-49.4	0	0	0	112.5	V59 V66 H68 V81 T82 L83 I87	V59-D85 HydrophobicContact CG1-CB 4.44Å; V66-D85 HydrophobicContact CG2-CB 4.41Å; H68-D85 IonicContact CE1-OD1 3.36Å; H68-D85 PolarHBondContact CE1-OD1 3.04Å; H68-D85 IonicContact CE1-OD2 3.41Å; H68-D85 PolarHBondContact CE1-OD2 2.91Å; H68-D85 IonicContact NE2-OD2 3.6Å; V81-D85 HydrophobicContact CG1-CB 4.31Å; T82-D85 WeakPolarHBondContact CA-OD2 3.48Å; T82-D85 VanDerWaalsContact CB-OD2 3.31Å; T82-D85 WeakPolarHBondContact CB-OD2 3.49Å; T82-D85 PolarHBondContact N-OD2 3.17Å; T82-D85 WeakPolarHBondContact O-CB 3.22Å; T82-D85 PolarHBondContact O-N 3.14Å; T82-D85 PolarHBondContact OG1-OD2 3.3Å; L83-D85 VanDerWaalsContact C-N 3.29Å; L83-D85 PolarHBondContact O-N 2.88Å; D85-I87 VanDerWaalsContact C-N 3.35Å
86	A	86.6	Confident	79.7	Confident	2 Å²	2	96.9 Å²	96.9	2%	0.017	48%	0.478	C	S	.	.	G	3₁₀ helix	trans	-85.5	-4.4	173.7	0	0	0	0	0	113.5	E56 V59 L60 L83 P84	E56-A86 PolarHBondContact N-O 3.35Å; V59-A86 HydrophobicContact CG1-CB 4.32Å; L60-A86 HydrophobicContact CB-CB 3.91Å; L60-A86 HydrophobicContact CD1-CB 4.04Å; L83-A86 PolarHBondContact O-N 3.1Å; P84-A86 PolarHBondContact O-N 2.9Å
87	I	91.2	Very high	81.9	Confident	72 Å²	72	88.1 Å²	88.1	37%	0.369	45%	0.445	S	S	.	.	B	Isolated β-bridge	trans	-98.1	116.2	179.7	-62.3	171.6	0	0	0	109.2	F50 L83 P84 D85	F50-I87 HydrophobicContact CE2-CG2 4.2Å; F50-I87 HydrophobicContact CZ-CD1 4.22Å; F50-I87 HydrophobicContact CZ-CG1 4.21Å; F50-I87 HydrophobicContact CZ-CG2 4.23Å; L83-I87 WeakPolarHBondContact O-CG1 3.33Å; P84-I87 PolarHBondContact O-N 3.24Å; D85-I87 VanDerWaalsContact C-N 3.35Å
88	V	89.2	Confident	84	Confident	12 Å²	12	87.8 Å²	87.8	7%	0.073	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-65.4	137.8	-179	176.9	0	0	0	0	110.3	C54 E56 Q92 C93	C54-V88 WeakPolarHBondContact O-CB 3.44Å; C54-V88 WeakPolarHBondContact O-CG2 3.32Å; C54-V88 PolarHBondContact O-N 3.39Å; E56-V88 HydrophobicContact CB-CG2 4.04Å; V88-Q92 HydrophobicContact CG1-CB 3.49Å; V88-Q92 VanDerWaalsContact CG1-CB 3.49Å; V88-C93 HydrophobicContact CG1-CB 4.44Å
89	P	90.8	Very high	85.8	Confident	80 Å²	80	82.8 Å²	82.8	52%	0.519	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-52	141.9	175.8	-28.4	35.6	0	0	0	112.9	Q91 Q92 C93	P89-Q91 PolarHBondContact O-N 3.29Å; P89-Q91 VanDerWaalsContact O-N 3.08Å; P89-Q92 PolarHBondContact O-N 3.11Å; P89-C93 PolarHBondContact O-N 3.33Å
90	S	88.5	Confident	87.4	Confident	97 Å²	97	81.3 Å²	81.3	68%	0.678	43%	0.427	S	S	*	.	H	α-helix	trans	-54.5	-35.8	-171.1	56.7	0	0	0	0	114.5	T94	S90-T94 WeakPolarHBondContact O-CB 3.39Å; S90-T94 PolarHBondContact O-N 3.16Å; S90-T94 PolarHBondContact O-OG1 3.4Å
91	Q	89.5	Confident	88.6	Confident	153 Å²	153	77.5 Å²	77.5	72%	0.715	42%	0.422	S	S	*	.	H	α-helix	trans	-62.1	-47.8	174.9	-66.2	177.6	-12.8	0	0	111.9	P89 T94 Q95	P89-Q91 PolarHBondContact O-N 3.29Å; P89-Q91 VanDerWaalsContact O-N 3.08Å; Q91-T94 PolarHBondContact O-N 2.94Å; Q91-Q95 WeakPolarHBondContact O-CG 3.48Å; Q91-Q95 PolarHBondContact O-N 3.38Å
92	Q	90.1	Very high	89.3	Confident	97 Å²	97	81.9 Å²	81.9	45%	0.453	43%	0.433	S	S	.	.	H	α-helix	trans	-71	-37.3	-180	-71	179.1	5.8	0	0	112.1	V88 P89 T94 Q95 R96	V88-Q92 HydrophobicContact CG1-CB 3.49Å; V88-Q92 VanDerWaalsContact CG1-CB 3.49Å; P89-Q92 PolarHBondContact O-N 3.11Å; Q92-T94 VanDerWaalsContact C-N 3.33Å; Q92-Q95 PolarHBondContact O-N 3.42Å; Q92-R96 WeakPolarHBondContact O-CG 3.4Å; Q92-R96 PolarHBondContact O-N 2.89Å
93	C	91.4	Very high	89.8	Confident	4 Å²	4	79.6 Å²	79.6	3%	0.027	42%	0.418	C	S	.	.	H	α-helix	trans	-65.3	-38.8	172.8	-172.9	0	0	0	0	111.5	N53 C54 V88 P89 Q95 R96 I97	N53-C93 VanDerWaalsContact C-SG 3.56Å; C54-C93 WeakPolarHBondContact CA-SG 3.43Å; C54-C93 HydrophobicContact CB-CB 3.84Å; C54-C93 WeakPolarHBondContact CB-SG 3.36Å; C54-C93 PolarHBondContact N-SG 3.11Å; C54-C93 VanDerWaalsContact N-SG 3.4Å; C54-C93 WeakPolarHBondContact SG-CB 3.35Å; C54-C93 CovalentContact SG-SG 2.03Å; C54-C93 PolarHBondContact SG-SG 2.77Å; V88-C93 HydrophobicContact CG1-CB 4.44Å; P89-C93 PolarHBondContact O-N 3.33Å; C93-Q95 VanDerWaalsContact C-N 3.31Å; C93-Q95 PolarHBondContact O-N 3.11Å; C93-R96 PolarHBondContact O-N 3.13Å; C93-I97 WeakPolarHBondContact O-CG1 3.4Å; C93-I97 PolarHBondContact O-N 2.98Å
94	T	90.6	Very high	90.2	Very high	69 Å²	69	76.5 Å²	76.5	42%	0.423	40%	0.401	S	S	.	.	H	α-helix	trans	-61.7	-40.7	175.4	-55.7	0	0	0	0	111.4	S90 Q91 Q92 I97 Q98	S90-T94 WeakPolarHBondContact O-CB 3.39Å; S90-T94 PolarHBondContact O-N 3.16Å; S90-T94 PolarHBondContact O-OG1 3.4Å; Q91-T94 PolarHBondContact O-N 2.94Å; Q92-T94 VanDerWaalsContact C-N 3.33Å; T94-I97 PolarHBondContact O-N 3.11Å; T94-Q98 WeakPolarHBondContact O-CB 3.33Å; T94-Q98 VanDerWaalsContact O-CG 3.28Å; T94-Q98 WeakPolarHBondContact O-CG 3.39Å; T94-Q98 PolarHBondContact O-N 3.38Å
95	Q	91.8	Very high	90.5	Very high	110 Å²	110	76.6 Å²	76.6	51%	0.514	39%	0.393	S	S	.	.	H	α-helix	trans	-61.5	-51.7	172.9	-73	169.6	-24	0	0	111.8	Q91 Q92 C93 I97 Q98 D99	Q91-Q95 WeakPolarHBondContact O-CG 3.48Å; Q91-Q95 PolarHBondContact O-N 3.38Å; Q92-Q95 PolarHBondContact O-N 3.42Å; C93-Q95 VanDerWaalsContact C-N 3.31Å; C93-Q95 PolarHBondContact O-N 3.11Å; Q95-I97 PolarHBondContact O-N 2.95Å; Q95-I97 VanDerWaalsContact O-N 3.15Å; Q95-Q98 CarbonylContact O-C 3.52Å; Q95-Q98 WeakPolarHBondContact O-CA 3.46Å; Q95-Q98 WeakPolarHBondContact O-CB 3.41Å; Q95-Q98 PolarHBondContact O-N 3.49Å; Q95-D99 PolarHBondContact O-N 2.91Å
96	R	91.9	Very high	90.9	Very high	91 Å²	91	76.3 Å²	76.3	34%	0.343	39%	0.391	S	S	.	.	H	α-helix	trans	-54.7	-37	176.8	-70	178.7	-174.8	-167.8	3.2	113	N53 E56 Q92 C93 N100	N53-R96 WeakPolarHBondContact O-CD 3.29Å; E56-R96 IonicContact OE1-CZ 2.85Å; E56-R96 IonicContact OE1-NH1 3.15Å; E56-R96 IonicContact OE1-NH2 2.69Å; E56-R96 PolarHBondContact OE1-NH2 2.9Å; Q92-R96 WeakPolarHBondContact O-CG 3.4Å; Q92-R96 PolarHBondContact O-N 2.89Å; C93-R96 PolarHBondContact O-N 3.13Å; R96-N100 PolarHBondContact O-N 3.42Å
97	I	91.8	Very high	91.3	Very high	38 Å²	38	78.8 Å²	78.8	20%	0.195	40%	0.403	C	S	.	.	H	α-helix	trans	-70.6	-40.4	174.5	-66.4	166.1	0	0	0	111.3	T49 N53 C93 T94 Q95 N100 I104 L107	T49-I97 HydrophobicContact CG2-CD1 4.1Å; T49-I97 HydrophobicContact CG2-CG1 4.42Å; N53-I97 HydrophobicContact CB-CD1 4.27Å; N53-I97 HydrophobicContact CB-CG1 3.65Å; C93-I97 WeakPolarHBondContact O-CG1 3.4Å; C93-I97 PolarHBondContact O-N 2.98Å; T94-I97 PolarHBondContact O-N 3.11Å; Q95-I97 PolarHBondContact O-N 2.95Å; Q95-I97 VanDerWaalsContact O-N 3.15Å; I97-N100 PolarHBondContact O-N 3.13Å; I97-I104 VanDerWaalsContact O-CG1 3.28Å; I97-I104 WeakPolarHBondContact O-CG1 3.47Å; I97-L107 HydrophobicContact CG2-CD1 4.06Å
98	Q	90.3	Very high	91.4	Very high	125 Å²	125	80 Å²	80	58%	0.584	41%	0.41	S	S	*	.	H	α-helix	trans	-70	-30	178.1	-75.8	175.6	-9.6	0	0	113.6	T94 Q95 N100 I104	T94-Q98 WeakPolarHBondContact O-CB 3.33Å; T94-Q98 VanDerWaalsContact O-CG 3.28Å; T94-Q98 WeakPolarHBondContact O-CG 3.39Å; T94-Q98 PolarHBondContact O-N 3.38Å; Q95-Q98 CarbonylContact O-C 3.52Å; Q95-Q98 WeakPolarHBondContact O-CA 3.46Å; Q95-Q98 WeakPolarHBondContact O-CB 3.41Å; Q95-Q98 PolarHBondContact O-N 3.49Å; Q98-N100 VanDerWaalsContact C-N 3.32Å; Q98-I104 WeakPolarHBondContact O-CD1 3.26Å
99	D	92.3	Very high	91.5	Very high	132 Å²	132	83.2 Å²	83.2	71%	0.706	43%	0.425	S	S	*	.	H	α-helix	trans	-71.8	-28.8	175.7	-62.5	-32.4	0	0	0	111.4	Q95 S101	Q95-D99 PolarHBondContact O-N 2.91Å; D99-S101 PolarHBondContact O-N 3.4Å
100	N	93.3	Very high	91.7	Very high	64 Å²	64	80.2 Å²	80.2	34%	0.342	41%	0.407	S	S	.	.			trans	-93.5	82.9	-178	-164.7	-28.9	0	0	0	112.8	R96 I97 Q98 W102 I103 I104	R96-N100 PolarHBondContact O-N 3.42Å; I97-N100 PolarHBondContact O-N 3.13Å; Q98-N100 VanDerWaalsContact C-N 3.32Å; N100-W102 PolarHBondContact O-N 2.89Å; N100-W102 PolarHBondContact OD1-N 2.95Å; N100-I103 HydrophobicContact CB-CB 4.24Å; N100-I103 HydrophobicContact CB-CD1 4.14Å; N100-I103 HydrophobicContact CB-CG1 4.25Å; N100-I103 VanDerWaalsContact ND2-CD1 3.3Å; N100-I103 WeakPolarHBondContact ND2-CD1 3.22Å; N100-I103 PolarHBondContact O-N 3.4Å; N100-I103 PolarHBondContact OD1-N 3.48Å; N100-I104 PolarHBondContact O-N 2.92Å; N100-I104 VanDerWaalsContact O-N 3.15Å
101	S	91.8	Very high	92	Very high	92 Å²	92	77.9 Å²	77.9	64%	0.643	39%	0.393	S	S	*	.	H	α-helix	trans	-48.3	-32.8	176.8	-62.7	0	0	0	0	115	D99 F105	D99-S101 PolarHBondContact O-N 3.4Å; S101-F105 WeakPolarHBondContact O-CB 3.35Å; S101-F105 PolarHBondContact O-N 3.09Å
102	W	90.5	Very high	92.3	Very high	148 Å²	148	74.8 Å²	74.8	56%	0.561	39%	0.385	S	S	*	.	H	α-helix	trans	-70.4	-41.4	178.3	177.3	-106.2	0	0	0	112.2	N100 F105 L106 F274	N100-W102 PolarHBondContact O-N 2.89Å; N100-W102 PolarHBondContact OD1-N 2.95Å; W102-F105 HydrophobicContact CE3-CD1 4.29Å; W102-F105 HydrophobicContact CZ3-CD1 4.16Å; W102-F105 HydrophobicContact CZ3-CE1 4.39Å; W102-F105 PolarHBondContact O-N 3.25Å; W102-L106 HydrophobicContact CZ2-CD2 4.36Å; W102-L106 WeakPolarHBondContact O-CG 3.2Å; W102-L106 PolarHBondContact O-N 3.46Å; W102-F274 HydrophobicContact CH2-CE1 4.49Å
103	I	91.2	Very high	92.4	Very high	20 Å²	20	75.1 Å²	75.1	10%	0.103	39%	0.386	C	S	.	.	H	α-helix	trans	-66.3	-41.3	176.1	-66.5	179.9	0	0	0	110.3	T49 V52 N53 N100 F105 L106 L107	T49-I103 HydrophobicContact CG2-CG2 4.26Å; V52-I103 HydrophobicContact CG1-CD1 3.94Å; N53-I103 WeakPolarHBondContact OD1-CD1 3.1Å; N100-I103 HydrophobicContact CB-CB 4.24Å; N100-I103 HydrophobicContact CB-CD1 4.14Å; N100-I103 HydrophobicContact CB-CG1 4.25Å; N100-I103 VanDerWaalsContact ND2-CD1 3.3Å; N100-I103 WeakPolarHBondContact ND2-CD1 3.22Å; N100-I103 PolarHBondContact O-N 3.4Å; N100-I103 PolarHBondContact OD1-N 3.48Å; I103-F105 VanDerWaalsContact C-N 3.33Å; I103-F105 PolarHBondContact O-N 3.48Å; I103-L106 PolarHBondContact O-N 2.97Å; I103-L107 HydrophobicContact CG2-CD1 3.95Å; I103-L107 HydrophobicContact CG2-CG 4.3Å; I103-L107 WeakPolarHBondContact O-CB 3.21Å; I103-L107 VanDerWaalsContact O-CG 3.3Å; I103-L107 WeakPolarHBondContact O-CG 3.37Å; I103-L107 PolarHBondContact O-N 2.9Å
104	I	93.1	Very high	92.6	Very high	57 Å²	57	78.2 Å²	78.2	29%	0.292	40%	0.397	S	S	.	.	H	α-helix	trans	-58.5	-45.8	174.7	-59.4	170.6	0	0	0	110.9	I97 Q98 N100 L106 L107 I108	I97-I104 VanDerWaalsContact O-CG1 3.28Å; I97-I104 WeakPolarHBondContact O-CG1 3.47Å; Q98-I104 WeakPolarHBondContact O-CD1 3.26Å; N100-I104 PolarHBondContact O-N 2.92Å; N100-I104 VanDerWaalsContact O-N 3.15Å; I104-L106 PolarHBondContact O-N 2.84Å; I104-L107 PolarHBondContact O-N 3.01Å; I104-I108 HydrophobicContact CG2-CD1 3.84Å; I104-I108 HydrophobicContact CG2-CG1 4.41Å; I104-I108 WeakPolarHBondContact O-CG1 3.31Å; I104-I108 PolarHBondContact O-N 2.83Å
105	F	92.1	Very high	92.9	Very high	93 Å²	93	79.2 Å²	79.2	41%	0.408	40%	0.398	S	S	.	.	H	α-helix	trans	-60.6	-44.3	177.4	174.3	-108.9	0	0	0	112.4	S101 W102 I103 L107 I108 M109 F274	S101-F105 WeakPolarHBondContact O-CB 3.35Å; S101-F105 PolarHBondContact O-N 3.09Å; W102-F105 HydrophobicContact CE3-CD1 4.29Å; W102-F105 HydrophobicContact CZ3-CD1 4.16Å; W102-F105 HydrophobicContact CZ3-CE1 4.39Å; W102-F105 PolarHBondContact O-N 3.25Å; I103-F105 VanDerWaalsContact C-N 3.33Å; I103-F105 PolarHBondContact O-N 3.48Å; F105-L107 PolarHBondContact O-N 3.36Å; F105-I108 PolarHBondContact O-N 2.92Å; F105-M109 HydrophobicContact CE1-CG 4.46Å; F105-M109 HydrophobicContact CE2-CG 4.15Å; F105-M109 HydrophobicContact CZ-CG 4.09Å; F105-M109 WeakPolarHBondContact O-CG 3.45Å; F105-M109 PolarHBondContact O-N 2.99Å; F105-F274 HydrophobicContact CD1-CE1 4.43Å; F105-F274 AromaticContact CE1-CE1 3.67Å; F105-F274 HydrophobicContact CE1-CE1 3.67Å; F105-F274 AromaticContact CE1-CZ 3.73Å; F105-F274 HydrophobicContact CE1-CZ 3.73Å; F105-F274 HydrophobicContact CZ-CE1 4.47Å; F105-F274 HydrophobicContact CZ-CZ 4.26Å
106	L	91.7	Very high	92.9	Very high	47 Å²	47	80.5 Å²	80.5	25%	0.246	40%	0.4	C	S	.	.	H	α-helix	trans	-62.1	-40.8	174.1	-70.7	177.5	0	0	0	112.5	W102 I103 I104 M109 A110 F274	W102-L106 HydrophobicContact CZ2-CD2 4.36Å; W102-L106 WeakPolarHBondContact O-CG 3.2Å; W102-L106 PolarHBondContact O-N 3.46Å; I103-L106 PolarHBondContact O-N 2.97Å; I104-L106 PolarHBondContact O-N 2.84Å; L106-M109 PolarHBondContact O-N 2.9Å; L106-A110 WeakPolarHBondContact O-CB 3.42Å; L106-A110 PolarHBondContact O-N 2.96Å; L106-F274 HydrophobicContact CD2-CD1 3.63Å; L106-F274 HydrophobicContact CD2-CE1 3.76Å
107	L	93.5	Very high	92.9	Very high	53 Å²	53	78.5 Å²	78.5	28%	0.277	39%	0.392	S	S	.	.	H	α-helix	trans	-65.1	-41.3	176.9	-73.4	171.9	0	0	0	112.1	V45 T49 I97 I103 I104 F105 A110 A111	V45-L107 HydrophobicContact CG1-CD2 3.87Å; T49-L107 HydrophobicContact CG2-CD1 4.14Å; T49-L107 HydrophobicContact CG2-CD2 4.32Å; I97-L107 HydrophobicContact CG2-CD1 4.06Å; I103-L107 HydrophobicContact CG2-CD1 3.95Å; I103-L107 HydrophobicContact CG2-CG 4.3Å; I103-L107 WeakPolarHBondContact O-CB 3.21Å; I103-L107 VanDerWaalsContact O-CG 3.3Å; I103-L107 WeakPolarHBondContact O-CG 3.37Å; I103-L107 PolarHBondContact O-N 2.9Å; I104-L107 PolarHBondContact O-N 3.01Å; F105-L107 PolarHBondContact O-N 3.36Å; L107-A110 PolarHBondContact O-N 3.02Å; L107-A111 VanDerWaalsContact O-CB 3.23Å; L107-A111 WeakPolarHBondContact O-CB 3.34Å; L107-A111 PolarHBondContact O-N 2.73Å
108	I	94.5	Very high	93	Very high	99 Å²	99	80.2 Å²	80.2	51%	0.508	40%	0.401	S	S	.	.	H	α-helix	trans	-61.8	-47.9	175.2	-69.8	166.9	0	0	0	110.2	I104 F105 A110 A111 T112	I104-I108 HydrophobicContact CG2-CD1 3.84Å; I104-I108 HydrophobicContact CG2-CG1 4.41Å; I104-I108 WeakPolarHBondContact O-CG1 3.31Å; I104-I108 PolarHBondContact O-N 2.83Å; F105-I108 PolarHBondContact O-N 2.92Å; I108-A110 PolarHBondContact O-N 2.99Å; I108-A111 PolarHBondContact O-N 2.82Å; I108-T112 PolarHBondContact O-N 3.21Å; I108-T112 PolarHBondContact O-OG1 3.25Å; I108-T112 VanDerWaalsContact O-OG1 3.05Å
109	M	91.9	Very high	93.1	Very high	78 Å²	78	79 Å²	79	38%	0.384	40%	0.398	S	S	.	.	H	α-helix	trans	-60.3	-45	177	-74.9	-66	-67.3	0	0	112.2	F105 L106 T112 F113	F105-M109 HydrophobicContact CE1-CG 4.46Å; F105-M109 HydrophobicContact CE2-CG 4.15Å; F105-M109 HydrophobicContact CZ-CG 4.09Å; F105-M109 WeakPolarHBondContact O-CG 3.45Å; F105-M109 PolarHBondContact O-N 2.99Å; L106-M109 PolarHBondContact O-N 2.9Å; M109-T112 PolarHBondContact O-N 3.43Å; M109-F113 PolarHBondContact O-N 3.45Å
110	A	93.9	Very high	92.9	Very high	18 Å²	18	77.8 Å²	77.8	15%	0.149	39%	0.386	C	S	.	.	H	α-helix	trans	-64.1	-41.1	176.8	0	0	0	0	0	112.1	F41 V45 L106 L107 I108 F113 W114	F41-A110 HydrophobicContact CE1-CB 4.25Å; F41-A110 HydrophobicContact CZ-CB 4.17Å; V45-A110 HydrophobicContact CG1-CB 4.12Å; V45-A110 HydrophobicContact CG2-CB 4.25Å; L106-A110 WeakPolarHBondContact O-CB 3.42Å; L106-A110 PolarHBondContact O-N 2.96Å; L107-A110 PolarHBondContact O-N 3.02Å; I108-A110 PolarHBondContact O-N 2.99Å; A110-F113 PolarHBondContact O-N 3.08Å; A110-W114 WeakPolarHBondContact O-CB 3.35Å; A110-W114 PolarHBondContact O-N 2.73Å
111	A	95.3	Very high	92.7	Very high	47 Å²	47	75.3 Å²	75.3	39%	0.388	37%	0.373	S	S	.	.	H	α-helix	trans	-65.3	-44.1	176.3	0	0	0	0	0	111.9	L107 I108 F113 W114 I115	L107-A111 VanDerWaalsContact O-CB 3.23Å; L107-A111 WeakPolarHBondContact O-CB 3.34Å; L107-A111 PolarHBondContact O-N 2.73Å; I108-A111 PolarHBondContact O-N 2.82Å; A111-F113 PolarHBondContact O-N 3.22Å; A111-W114 PolarHBondContact O-N 3.02Å; A111-I115 WeakPolarHBondContact O-CB 3.42Å; A111-I115 VanDerWaalsContact O-CG1 3.27Å; A111-I115 WeakPolarHBondContact O-CG1 3.46Å; A111-I115 PolarHBondContact O-N 3.36Å
112	T	94.7	Very high	92.6	Very high	89 Å²	89	77 Å²	77	55%	0.546	37%	0.369	S	S	.	.	H	α-helix	trans	-59.4	-45.1	174.8	-58.9	0	0	0	0	111.4	I108 M109 I115 Y116	I108-T112 PolarHBondContact O-N 3.21Å; I108-T112 PolarHBondContact O-OG1 3.25Å; I108-T112 VanDerWaalsContact O-OG1 3.05Å; M109-T112 PolarHBondContact O-N 3.43Å; T112-I115 PolarHBondContact O-N 3.41Å; T112-Y116 WeakPolarHBondContact O-CB 3.31Å; T112-Y116 PolarHBondContact O-N 3.43Å
113	F	92.8	Very high	92.4	Very high	104 Å²	104	73.1 Å²	73.1	46%	0.456	36%	0.364	S	S	.	.	H	α-helix	trans	-64.1	-41.6	175.8	178.4	-100.1	0	0	0	112.5	F41 M109 A110 A111 Y116 R117	F41-F113 HydrophobicContact CD2-CD1 4.34Å; F41-F113 HydrophobicContact CD2-CE1 4.17Å; F41-F113 HydrophobicContact CE1-CD1 4.37Å; F41-F113 AromaticContact CE2-CD1 3.61Å; F41-F113 HydrophobicContact CE2-CD1 3.61Å; F41-F113 AromaticContact CE2-CE1 3.75Å; F41-F113 HydrophobicContact CE2-CE1 3.75Å; F41-F113 AromaticContact CZ-CD1 3.63Å; F41-F113 HydrophobicContact CZ-CD1 3.63Å; F41-F113 HydrophobicContact CZ-CE1 4.25Å; M109-F113 PolarHBondContact O-N 3.45Å; A110-F113 PolarHBondContact O-N 3.08Å; A111-F113 PolarHBondContact O-N 3.22Å; F113-Y116 PolarHBondContact O-N 3.4Å; F113-R117 WeakPolarHBondContact O-CB 3.39Å; F113-R117 PolarHBondContact O-N 3.27Å
114	W	95.8	Very high	92.1	Very high	68 Å²	68	73.5 Å²	73.5	26%	0.258	37%	0.366	S	S	.	.	H	α-helix	trans	-65.4	-42.3	177.8	-174.8	87.6	0	0	0	112.2	L38 F41 A110 A111 R117 L118	L38-W114 PolarHBondContact O-NE1 2.95Å; F41-W114 HydrophobicContact CD1-CB 4.14Å; F41-W114 AromaticContact CD1-CD1 3.62Å; F41-W114 HydrophobicContact CD1-CG 4.24Å; F41-W114 HydrophobicContact CE1-CB 3.96Å; A110-W114 WeakPolarHBondContact O-CB 3.35Å; A110-W114 PolarHBondContact O-N 2.73Å; A111-W114 PolarHBondContact O-N 3.02Å; W114-R117 CarbonylContact O-C 3.5Å; W114-R117 PolarHBondContact O-N 3.24Å; W114-L118 HydrophobicContact CH2-CD2 3.82Å; W114-L118 HydrophobicContact CZ3-CD2 3.76Å; W114-L118 WeakPolarHBondContact O-CB 3.44Å; W114-L118 PolarHBondContact O-N 3.1Å
115	I	96	Very high	91.8	Very high	90 Å²	90	73.1 Å²	73.1	46%	0.462	36%	0.364	S	S	.	.	H	α-helix	trans	-62.3	-46.5	174.8	-68.7	165.5	0	0	0	110.6	A111 T112 R117 L118 I119	A111-I115 WeakPolarHBondContact O-CB 3.42Å; A111-I115 VanDerWaalsContact O-CG1 3.27Å; A111-I115 WeakPolarHBondContact O-CG1 3.46Å; A111-I115 PolarHBondContact O-N 3.36Å; T112-I115 PolarHBondContact O-N 3.41Å; I115-R117 VanDerWaalsContact C-N 3.28Å; I115-R117 PolarHBondContact O-N 3.28Å; I115-L118 PolarHBondContact O-N 2.78Å; I115-I119 HydrophobicContact CG2-CD1 3.9Å; I115-I119 WeakPolarHBondContact O-CG1 3.48Å; I115-I119 PolarHBondContact O-N 3.17Å
116	Y	93.4	Very high	91.6	Very high	138 Å²	138	73.9 Å²	73.9	54%	0.541	37%	0.372	S	S	.	.	H	α-helix	trans	-55.6	-45	173.4	164.2	-98.3	0	0	0	111.5	T112 F113 I119 K120	T112-Y116 WeakPolarHBondContact O-CB 3.31Å; T112-Y116 PolarHBondContact O-N 3.43Å; F113-Y116 PolarHBondContact O-N 3.4Å; Y116-I119 PolarHBondContact O-N 3.47Å; Y116-K120 HydrophobicContact CE1-CD 4.43Å; Y116-K120 WeakPolarHBondContact O-CB 3.28Å; Y116-K120 PolarHBondContact O-N 2.96Å
117	R	91.6	Very high	91.2	Very high	49 Å²	49	73.8 Å²	73.8	19%	0.185	38%	0.375	C	S	.	.	H	α-helix	trans	-66.4	-40.5	178.7	-166.6	-179.6	178.6	-164.7	4	112	E37 L38 F113 W114 I115 K120 V121	E37-R117 PolarHBondContact O-NH1 2.58Å; E37-R117 IonicContact OE2-NH2 2.77Å; E37-R117 PolarHBondContact OE2-NH2 2.94Å; L38-R117 HydrophobicContact CD2-CB 4.1Å; L38-R117 HydrophobicContact CD2-CG 3.8Å; F113-R117 WeakPolarHBondContact O-CB 3.39Å; F113-R117 PolarHBondContact O-N 3.27Å; W114-R117 CarbonylContact O-C 3.5Å; W114-R117 PolarHBondContact O-N 3.24Å; I115-R117 VanDerWaalsContact C-N 3.28Å; I115-R117 PolarHBondContact O-N 3.28Å; R117-K120 PolarHBondContact O-N 2.9Å; R117-V121 WeakPolarHBondContact O-CG2 3.47Å; R117-V121 PolarHBondContact O-N 3.33Å
118	L	94.1	Very high	90.8	Very high	73 Å²	73	72.1 Å²	72.1	38%	0.382	37%	0.365	S	S	.	.	H	α-helix	trans	-61.1	-47	176.1	179.8	68	0	0	0	111.3	L38 W114 I115 K120 V121 F122	L38-L118 HydrophobicContact CD1-CD1 3.94Å; W114-L118 HydrophobicContact CH2-CD2 3.82Å; W114-L118 HydrophobicContact CZ3-CD2 3.76Å; W114-L118 WeakPolarHBondContact O-CB 3.44Å; W114-L118 PolarHBondContact O-N 3.1Å; I115-L118 PolarHBondContact O-N 2.78Å; L118-K120 VanDerWaalsContact C-N 3.33Å; L118-K120 PolarHBondContact O-N 2.95Å; L118-V121 PolarHBondContact O-N 3.44Å; L118-F122 WeakPolarHBondContact O-CB 3.35Å; L118-F122 PolarHBondContact O-N 3.44Å
119	I	92.5	Very high	90.6	Very high	101 Å²	101	73.3 Å²	73.3	52%	0.518	36%	0.364	S	S	.	.	H	α-helix	trans	-59.2	-46.5	175.4	-66.7	165.4	0	0	0	110.1	I115 Y116 V121 F122 C123	I115-I119 HydrophobicContact CG2-CD1 3.9Å; I115-I119 WeakPolarHBondContact O-CG1 3.48Å; I115-I119 PolarHBondContact O-N 3.17Å; Y116-I119 PolarHBondContact O-N 3.47Å; I119-V121 PolarHBondContact O-N 2.81Å; I119-F122 WeakPolarHBondContact O-CB 3.47Å; I119-F122 PolarHBondContact O-N 3.21Å; I119-C123 PolarHBondContact O-N 2.95Å; I119-C123 PolarHBondContact O-SG 2.99Å; I119-C123 VanDerWaalsContact O-SG 3.34Å
120	K	86.8	Confident	90.4	Very high	105 Å²	105	72.8 Å²	72.8	46%	0.457	36%	0.36	S	S	.	.	H	α-helix	trans	-60.9	-43.6	177.5	-177.4	-179.6	178.5	-179.7	0	112.4	Y116 R117 L118 C123 N124	Y116-K120 HydrophobicContact CE1-CD 4.43Å; Y116-K120 WeakPolarHBondContact O-CB 3.28Å; Y116-K120 PolarHBondContact O-N 2.96Å; R117-K120 PolarHBondContact O-N 2.9Å; L118-K120 VanDerWaalsContact C-N 3.33Å; L118-K120 PolarHBondContact O-N 2.95Å; K120-C123 PolarHBondContact O-N 3.46Å; K120-N124 VanDerWaalsContact O-CG 3.28Å; K120-N124 PolarHBondContact O-N 2.91Å; K120-N124 PolarHBondContact O-OD1 3.22Å
121	V	88.7	Confident	90	Very high	12 Å²	12	72 Å²	72	7%	0.073	35%	0.353	C	S	.	.	H	α-helix	trans	-60.5	-48.2	174.6	168.6	0	0	0	0	109.6	E34 L38 R117 L118 I119 C123 N124 I125	E34-V121 HydrophobicContact CB-CG1 4.08Å; E34-V121 HydrophobicContact CB-CG2 4.28Å; L38-V121 HydrophobicContact CD1-CB 4.08Å; L38-V121 HydrophobicContact CD1-CG1 4.05Å; L38-V121 HydrophobicContact CD1-CG2 3.95Å; L38-V121 HydrophobicContact CG-CG2 4.27Å; R117-V121 WeakPolarHBondContact O-CG2 3.47Å; R117-V121 PolarHBondContact O-N 3.33Å; L118-V121 PolarHBondContact O-N 3.44Å; I119-V121 PolarHBondContact O-N 2.81Å; V121-C123 PolarHBondContact O-N 3.02Å; V121-N124 CarbonylContact O-C 3.56Å; V121-N124 WeakPolarHBondContact O-CA 3.42Å; V121-N124 VanDerWaalsContact O-CB 3.32Å; V121-N124 WeakPolarHBondContact O-CB 3.38Å; V121-N124 PolarHBondContact O-N 3.1Å; V121-I125 VanDerWaalsContact O-CG1 3.29Å; V121-I125 WeakPolarHBondContact O-CG1 3.36Å; V121-I125 PolarHBondContact O-N 2.87Å
122	F	89.9	Confident	89.8	Confident	129 Å²	129	73.2 Å²	73.2	57%	0.566	35%	0.348	S	S	*	.	H	α-helix	trans	-56.5	-44.9	177.6	-171.3	-95.2	0	0	0	112.8	L118 I119 N124 I125 L126	L118-F122 WeakPolarHBondContact O-CB 3.35Å; L118-F122 PolarHBondContact O-N 3.44Å; I119-F122 WeakPolarHBondContact O-CB 3.47Å; I119-F122 PolarHBondContact O-N 3.21Å; F122-N124 VanDerWaalsContact C-N 3.34Å; F122-N124 PolarHBondContact O-N 2.92Å; F122-I125 HydrophobicContact CD2-CD1 4.33Å; F122-I125 WeakPolarHBondContact O-CB 3.39Å; F122-I125 PolarHBondContact O-N 3.11Å; F122-L126 HydrophobicContact CE1-CD1 4.46Å
123	C	87.1	Confident	89.5	Confident	66 Å²	66	71.5 Å²	71.5	45%	0.446	33%	0.333	S	S	.	.	H	α-helix	trans	-60.2	-41.7	172.4	-65.6	0	0	0	0	112.3	I119 K120 V121 I125 L126 S127	I119-C123 PolarHBondContact O-N 2.95Å; I119-C123 PolarHBondContact O-SG 2.99Å; I119-C123 VanDerWaalsContact O-SG 3.34Å; K120-C123 PolarHBondContact O-N 3.46Å; V121-C123 PolarHBondContact O-N 3.02Å; C123-I125 VanDerWaalsContact C-N 3.33Å; C123-I125 PolarHBondContact O-N 3.04Å; C123-L126 PolarHBondContact O-N 2.83Å; C123-S127 PolarHBondContact O-N 3.33Å
124	N	84.6	Confident	89.3	Confident	28 Å²	28	67.3 Å²	67.3	15%	0.15	32%	0.315	C	S	.	.	H	α-helix	trans	-62.6	-35.5	175.6	-70.1	-11.3	0	0	0	112.2	K120 V121 F122 L126 S127 Y128	K120-N124 VanDerWaalsContact O-CG 3.28Å; K120-N124 PolarHBondContact O-N 2.91Å; K120-N124 PolarHBondContact O-OD1 3.22Å; V121-N124 CarbonylContact O-C 3.56Å; V121-N124 WeakPolarHBondContact O-CA 3.42Å; V121-N124 VanDerWaalsContact O-CB 3.32Å; V121-N124 WeakPolarHBondContact O-CB 3.38Å; V121-N124 PolarHBondContact O-N 3.1Å; F122-N124 VanDerWaalsContact C-N 3.34Å; F122-N124 PolarHBondContact O-N 2.92Å; N124-L126 VanDerWaalsContact C-N 3.28Å; N124-L126 PolarHBondContact O-N 3.36Å; N124-S127 PolarHBondContact O-N 3.5Å; N124-Y128 HydrophobicContact CB-CD2 4.4Å; N124-Y128 HydrophobicContact CB-CE1 4.4Å; N124-Y128 HydrophobicContact CB-CE2 3.88Å; N124-Y128 WeakPolarHBondContact O-CB 3.33Å; N124-Y128 WeakPolarHBondContact O-CD2 3.36Å; N124-Y128 PolarHBondContact O-N 3.47Å
125	I	87.4	Confident	89	Confident	48 Å²	48	64.1 Å²	64.1	25%	0.246	30%	0.303	C	S	.	.	H	α-helix	trans	-55.2	-46.3	176.6	-50.6	-176	0	0	0	110.4	F27 M31 V121 F122 C123 S127 Y128 W129	F27-I125 HydrophobicContact CE2-CG2 4.37Å; F27-I125 HydrophobicContact CZ-CG2 4.09Å; M31-I125 HydrophobicContact CE-CD1 3.52Å; M31-I125 HydrophobicContact CE-CG1 3.64Å; M31-I125 HydrophobicContact CE-CG2 4.29Å; M31-I125 HydrophobicContact SD-CB 4.15Å; M31-I125 HydrophobicContact SD-CD1 4.26Å; M31-I125 HydrophobicContact SD-CG1 3.72Å; M31-I125 HydrophobicContact SD-CG2 3.88Å; V121-I125 VanDerWaalsContact O-CG1 3.29Å; V121-I125 WeakPolarHBondContact O-CG1 3.36Å; V121-I125 PolarHBondContact O-N 2.87Å; F122-I125 HydrophobicContact CD2-CD1 4.33Å; F122-I125 WeakPolarHBondContact O-CB 3.39Å; F122-I125 PolarHBondContact O-N 3.11Å; C123-I125 VanDerWaalsContact C-N 3.33Å; C123-I125 PolarHBondContact O-N 3.04Å; I125-S127 PolarHBondContact O-N 2.98Å; I125-Y128 PolarHBondContact O-N 3.45Å; I125-W129 WeakPolarHBondContact O-CB 3.46Å; I125-W129 PolarHBondContact O-N 2.97Å
126	L	86.7	Confident	88.7	Confident	110 Å²	110	63 Å²	63	58%	0.576	30%	0.297	S	S	*	.	H	α-helix	trans	-61.7	-44.7	-179	-59.9	175.6	0	0	0	111	F122 C123 N124 W129 E130	F122-L126 HydrophobicContact CE1-CD1 4.46Å; C123-L126 PolarHBondContact O-N 2.83Å; N124-L126 VanDerWaalsContact C-N 3.28Å; N124-L126 PolarHBondContact O-N 3.36Å; L126-W129 PolarHBondContact O-N 3.26Å; L126-E130 PolarHBondContact O-N 3Å; L126-E130 VanDerWaalsContact O-N 3.07Å
127	S	83.2	Confident	88.5	Confident	44 Å²	44	63.6 Å²	63.6	31%	0.308	30%	0.303	S	S	.	.	H	α-helix	trans	-65.2	-42.8	175	-56.9	0	0	0	0	112.7	C123 N124 I125 W129 E130 I131	C123-S127 PolarHBondContact O-N 3.33Å; N124-S127 PolarHBondContact O-N 3.5Å; I125-S127 PolarHBondContact O-N 2.98Å; S127-W129 VanDerWaalsContact C-N 3.29Å; S127-W129 PolarHBondContact O-N 3.44Å; S127-E130 PolarHBondContact O-N 3.41Å; S127-I131 VanDerWaalsContact O-CD1 3.28Å; S127-I131 WeakPolarHBondContact O-CD1 3.35Å; S127-I131 VanDerWaalsContact O-CG1 3.3Å; S127-I131 WeakPolarHBondContact O-CG1 3.39Å; S127-I131 PolarHBondContact O-N 2.93Å; S127-I131 VanDerWaalsContact O-N 3.08Å
128	Y	86.8	Confident	88.2	Confident	19 Å²	19	61.9 Å²	61.9	8%	0.075	30%	0.299	C	S	.	.	H	α-helix	trans	-65	-33.5	176.9	-62.1	-20.2	0	0	0	111.9	Y17 M30 M31 E34 N124 I125 R132	Y17-Y128 HydrophobicContact CD1-CE1 4.21Å; M30-Y128 HydrophobicContact CB-CD2 4.43Å; M30-Y128 HydrophobicContact CB-CE2 4.43Å; M30-Y128 HydrophobicContact CE-CD1 3.81Å; M30-Y128 HydrophobicContact CE-CD2 4.26Å; M30-Y128 HydrophobicContact CE-CE1 3.41Å; M30-Y128 VanDerWaalsContact CE-CE1 3.41Å; M30-Y128 HydrophobicContact CE-CE2 3.91Å; M30-Y128 HydrophobicContact CE-CG 4.24Å; M30-Y128 VanDerWaalsContact CE-CZ 3.47Å; M31-Y128 HydrophobicContact SD-CD2 4.43Å; E34-Y128 HydrophobicContact CG-CE2 4.37Å; E34-Y128 PolarHBondContact OE1-OH 2.59Å; N124-Y128 HydrophobicContact CB-CD2 4.4Å; N124-Y128 HydrophobicContact CB-CE1 4.4Å; N124-Y128 HydrophobicContact CB-CE2 3.88Å; N124-Y128 WeakPolarHBondContact O-CB 3.33Å; N124-Y128 WeakPolarHBondContact O-CD2 3.36Å; N124-Y128 PolarHBondContact O-N 3.47Å; I125-Y128 PolarHBondContact O-N 3.45Å; Y128-R132 WeakPolarHBondContact O-CB 3.32Å; Y128-R132 PolarHBondContact O-N 3.3Å
129	W	89	Confident	87.9	Confident	124 Å²	124	58.7 Å²	58.7	47%	0.47	28%	0.283	S	S	.	.	H	α-helix	trans	-67.9	-42.8	174.1	-174	-94.1	0	0	0	112.1	F27 I125 L126 S127 I131 R132 Q133	F27-W129 HydrophobicContact CE1-CE3 4.23Å; F27-W129 HydrophobicContact CE1-CZ3 4.41Å; F27-W129 HydrophobicContact CE2-CB 4.31Å; F27-W129 HydrophobicContact CE2-CE3 4.13Å; F27-W129 AromaticContact CZ-CE3 3.85Å; F27-W129 HydrophobicContact CZ-CE3 3.85Å; F27-W129 HydrophobicContact CZ-CZ3 4.44Å; I125-W129 WeakPolarHBondContact O-CB 3.46Å; I125-W129 PolarHBondContact O-N 2.97Å; L126-W129 PolarHBondContact O-N 3.26Å; S127-W129 VanDerWaalsContact C-N 3.29Å; S127-W129 PolarHBondContact O-N 3.44Å; W129-I131 VanDerWaalsContact C-N 3.31Å; W129-I131 PolarHBondContact O-N 3.29Å; W129-R132 VanDerWaalsContact CZ3-NH1 3.3Å; W129-R132 WeakPolarHBondContact O-CB 3.31Å; W129-R132 PolarHBondContact O-N 2.81Å; W129-Q133 WeakPolarHBondContact O-CG 3.45Å; W129-Q133 PolarHBondContact O-N 2.98Å
130	E	87.6	Confident	87.8	Confident	66 Å²	66	60.6 Å²	60.6	31%	0.308	29%	0.287	S	S	.	.	H	α-helix	trans	-59.1	-43.6	175.1	-162.7	-173.9	-172.9	0	0	111.3	V10 Q14 L126 S127 Q133 F134	V10-E130 WeakPolarHBondContact CG1-OE2 3.34Å; Q14-E130 PolarHBondContact NE2-OE1 2.7Å; Q14-E130 PolarHBondContact NE2-OE2 2.94Å; L126-E130 PolarHBondContact O-N 3Å; L126-E130 VanDerWaalsContact O-N 3.07Å; S127-E130 PolarHBondContact O-N 3.41Å; E130-Q133 WeakPolarHBondContact O-CB 3.48Å; E130-Q133 PolarHBondContact O-N 3.4Å; E130-F134 PolarHBondContact O-N 2.99Å
131	I	87.1	Confident	88	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-65.8	-40.6	176	-64.2	155.8	0	0	0	111.5	Q14 Y17 I18 Y21 S127 W129 Q133 F134 Y135	Q14-I131 HydrophobicContact CG-CG1 4.16Å; Y17-I131 HydrophobicContact CG-CD1 4.17Å; I18-I131 HydrophobicContact CG1-CG2 4.05Å; Y21-I131 HydrophobicContact CD1-CG2 4.28Å; Y21-I131 HydrophobicContact CD2-CG2 3.93Å; Y21-I131 HydrophobicContact CG-CG2 3.78Å; S127-I131 VanDerWaalsContact O-CD1 3.28Å; S127-I131 WeakPolarHBondContact O-CD1 3.35Å; S127-I131 VanDerWaalsContact O-CG1 3.3Å; S127-I131 WeakPolarHBondContact O-CG1 3.39Å; S127-I131 PolarHBondContact O-N 2.93Å; S127-I131 VanDerWaalsContact O-N 3.08Å; W129-I131 VanDerWaalsContact C-N 3.31Å; W129-I131 PolarHBondContact O-N 3.29Å; I131-Q133 VanDerWaalsContact C-N 3.28Å; I131-Q133 PolarHBondContact O-N 3.49Å; I131-F134 WeakPolarHBondContact O-CB 3.28Å; I131-F134 PolarHBondContact O-N 3.26Å; I131-F134 VanDerWaalsContact O-N 3.12Å; I131-Y135 HydrophobicContact CG2-CD2 3.83Å; I131-Y135 HydrophobicContact CG2-CE2 3.85Å; I131-Y135 WeakPolarHBondContact O-CD2 3.38Å; I131-Y135 PolarHBondContact O-N 3.11Å
132	R	90	Very high	88	Confident	74 Å²	74	60.9 Å²	60.9	28%	0.279	29%	0.287	S	S	.	.	H	α-helix	trans	-56.4	-43.9	171.9	173.6	176.6	179.4	-175.4	1.3	111.3	Y21 Y128 W129 Y135 I136 M143	Y21-R132 HydrophobicContact CE2-CB 4.18Å; Y21-R132 WeakPolarHBondContact OH-CB 3.36Å; Y128-R132 WeakPolarHBondContact O-CB 3.32Å; Y128-R132 PolarHBondContact O-N 3.3Å; W129-R132 VanDerWaalsContact CZ3-NH1 3.3Å; W129-R132 WeakPolarHBondContact O-CB 3.31Å; W129-R132 PolarHBondContact O-N 2.81Å; R132-Y135 PolarHBondContact O-N 2.92Å; R132-I136 HydrophobicContact CG-CD1 3.85Å; R132-I136 WeakPolarHBondContact O-CG1 3.28Å; R132-I136 PolarHBondContact O-N 3.3Å; R132-I136 VanDerWaalsContact O-N 3.13Å; R132-M143 HydrophobicContact CG-SD 3.86Å
133	Q	89.4	Confident	87.9	Confident	52 Å²	52	56.7 Å²	56.7	24%	0.243	27%	0.27	C	S	.	.	H	α-helix	trans	-64.4	-39.1	175.8	-65.9	-64.2	-48.6	0	0	111.8	W129 E130 I131 I136 K137	W129-Q133 WeakPolarHBondContact O-CG 3.45Å; W129-Q133 PolarHBondContact O-N 2.98Å; E130-Q133 WeakPolarHBondContact O-CB 3.48Å; E130-Q133 PolarHBondContact O-N 3.4Å; I131-Q133 VanDerWaalsContact C-N 3.28Å; I131-Q133 PolarHBondContact O-N 3.49Å; Q133-I136 PolarHBondContact O-N 3.17Å; Q133-K137 VanDerWaalsContact O-CB 3.28Å; Q133-K137 WeakPolarHBondContact O-CB 3.33Å; Q133-K137 PolarHBondContact O-N 3.09Å
134	F	87.7	Confident	87.8	Confident	17 Å²	17	60.3 Å²	60.3	8%	0.075	29%	0.285	C	S	.	.	H	α-helix	trans	-61.1	-46	174.4	179.3	-98.2	0	0	0	112.6	F11 I18 E130 I131 I136 A138 L139 L158 L161 M167	F11-F134 HydrophobicContact CE1-CE2 4.09Å; F11-F134 AromaticContact CZ-CD2 3.92Å; F11-F134 HydrophobicContact CZ-CD2 3.92Å; F11-F134 AromaticContact CZ-CE2 3.81Å; F11-F134 HydrophobicContact CZ-CE2 3.81Å; I18-F134 HydrophobicContact CD1-CD1 3.75Å; I18-F134 HydrophobicContact CD1-CE1 3.53Å; I18-F134 HydrophobicContact CD1-CZ 4.27Å; I18-F134 HydrophobicContact CG1-CD1 4.22Å; I18-F134 HydrophobicContact CG1-CE1 4.36Å; E130-F134 PolarHBondContact O-N 2.99Å; I131-F134 WeakPolarHBondContact O-CB 3.28Å; I131-F134 PolarHBondContact O-N 3.26Å; I131-F134 VanDerWaalsContact O-N 3.12Å; F134-I136 PolarHBondContact O-N 3.03Å; F134-A138 HydrophobicContact CD2-CB 3.79Å; F134-A138 HydrophobicContact CE2-CB 3.81Å; F134-A138 HydrophobicContact CG-CB 4.4Å; F134-A138 HydrophobicContact CZ-CB 4.45Å; F134-A138 WeakPolarHBondContact O-CA 3.47Å; F134-A138 VanDerWaalsContact O-CB 3.29Å; F134-A138 WeakPolarHBondContact O-CB 3.18Å; F134-A138 PolarHBondContact O-N 2.9Å; F134-L139 HydrophobicContact CD1-CD1 4.06Å; F134-L139 HydrophobicContact CD1-CG 4.23Å; F134-L139 HydrophobicContact CE1-CD1 3.7Å; F134-L139 HydrophobicContact CE1-CD2 4.23Å; F134-L139 HydrophobicContact CE1-CG 3.73Å; F134-L139 HydrophobicContact CZ-CD2 4.5Å; F134-L139 HydrophobicContact CZ-CG 4.31Å; F134-L139 PolarHBondContact O-N 3.02Å; F134-L139 VanDerWaalsContact O-N 3.14Å; F134-L158 HydrophobicContact CE1-CD1 4.1Å; F134-L158 HydrophobicContact CZ-CD1 3.81Å; F134-L161 HydrophobicContact CE2-CD2 3.84Å; F134-L161 HydrophobicContact CZ-CD2 3.61Å; F134-M167 HydrophobicContact CE2-SD 3.74Å; F134-M167 HydrophobicContact CZ-SD 3.83Å
135	Y	89.3	Confident	88.1	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.3	-44.8	176.4	-91	-92	0	0	0	112.8	I18 Y21 I131 R132 L139 K140 I141 L146 V154	I18-Y135 HydrophobicContact CB-CE2 4.34Å; I18-Y135 HydrophobicContact CG1-CE2 4.33Å; I18-Y135 HydrophobicContact CG2-CE2 3.91Å; I18-Y135 WeakPolarHBondContact CG2-OH 3.48Å; I18-Y135 PolarHBondContact O-OH 3.18Å; Y21-Y135 AromaticContact CD1-CD2 3.62Å; Y21-Y135 HydrophobicContact CD1-CD2 3.62Å; Y21-Y135 AromaticContact CD1-CE2 3.46Å; Y21-Y135 HydrophobicContact CD1-CE2 3.46Å; Y21-Y135 VanDerWaalsContact CD1-CE2 3.46Å; Y21-Y135 HydrophobicContact CD1-CG 4.28Å; Y21-Y135 AromaticContact CE1-CD2 3.83Å; Y21-Y135 HydrophobicContact CE1-CD2 3.83Å; Y21-Y135 HydrophobicContact CE1-CE2 4.15Å; Y21-Y135 HydrophobicContact CE1-CG 4.16Å; Y21-Y135 HydrophobicContact CG-CD2 4.42Å; Y21-Y135 HydrophobicContact CG-CE2 4.12Å; I131-Y135 HydrophobicContact CG2-CD2 3.83Å; I131-Y135 HydrophobicContact CG2-CE2 3.85Å; I131-Y135 WeakPolarHBondContact O-CD2 3.38Å; I131-Y135 PolarHBondContact O-N 3.11Å; R132-Y135 PolarHBondContact O-N 2.92Å; Y135-L139 HydrophobicContact CD1-CD1 3.68Å; Y135-L139 HydrophobicContact CD2-CD1 4.41Å; Y135-L139 HydrophobicContact CE1-CD1 3.74Å; Y135-L139 HydrophobicContact CE2-CD1 4.47Å; Y135-L139 HydrophobicContact CG-CD1 4.03Å; Y135-K140 PolarHBondContact O-N 3.46Å; Y135-I141 HydrophobicContact CD1-CB 4.36Å; Y135-I141 HydrophobicContact CD1-CD1 4.11Å; Y135-I141 HydrophobicContact CE1-CD1 4.29Å; Y135-I141 PolarHBondContact O-N 3.22Å; Y135-L146 HydrophobicContact CD1-CD1 3.99Å; Y135-L146 HydrophobicContact CE1-CD1 3.74Å; Y135-V154 HydrophobicContact CE1-CG1 3.98Å
136	I	89.9	Confident	88.1	Confident	67 Å²	67	59.9 Å²	59.9	34%	0.344	28%	0.281	S	S	.	.	H	α-helix	trans	-69.5	-50.4	-178.5	-65.8	167.1	0	0	0	111.1	R132 Q133 F134 M143	R132-I136 HydrophobicContact CG-CD1 3.85Å; R132-I136 WeakPolarHBondContact O-CG1 3.28Å; R132-I136 PolarHBondContact O-N 3.3Å; R132-I136 VanDerWaalsContact O-N 3.13Å; Q133-I136 PolarHBondContact O-N 3.17Å; F134-I136 PolarHBondContact O-N 3.03Å; I136-M143 HydrophobicContact CD1-CE 4.29Å; I136-M143 HydrophobicContact CD1-CG 4.06Å; I136-M143 HydrophobicContact CD1-SD 4.21Å; I136-M143 HydrophobicContact CG1-CE 3.57Å; I136-M143 HydrophobicContact CG1-CG 4.28Å; I136-M143 HydrophobicContact CG1-SD 4.15Å
137	K	88.7	Confident	88.2	Confident	150 Å²	150	58.6 Å²	58.6	65%	0.652	28%	0.28	S	S	*	.	H	α-helix	trans	-86.3	-40.7	-169.7	-66.5	175.2	170.7	163.7	0	113.6	Q133	Q133-K137 VanDerWaalsContact O-CB 3.28Å; Q133-K137 WeakPolarHBondContact O-CB 3.33Å; Q133-K137 PolarHBondContact O-N 3.09Å
138	A	86.9	Confident	88.5	Confident	14 Å²	14	60.6 Å²	60.6	12%	0.116	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-52.2	-172.5	0	0	0	0	0	111.9	F134 K140 L161	F134-A138 HydrophobicContact CD2-CB 3.79Å; F134-A138 HydrophobicContact CE2-CB 3.81Å; F134-A138 HydrophobicContact CG-CB 4.4Å; F134-A138 HydrophobicContact CZ-CB 4.45Å; F134-A138 WeakPolarHBondContact O-CA 3.47Å; F134-A138 VanDerWaalsContact O-CB 3.29Å; F134-A138 WeakPolarHBondContact O-CB 3.18Å; F134-A138 PolarHBondContact O-N 2.9Å; A138-K140 VanDerWaalsContact C-N 3.27Å; A138-K140 PolarHBondContact O-N 3.38Å; A138-L161 HydrophobicContact CB-CD1 4.27Å; A138-L161 HydrophobicContact CB-CD2 3.67Å
139	L	86.6	Confident	88.6	Confident	6 Å²	6	61.4 Å²	61.4	3%	0.031	29%	0.292	C	S	.	.	S	Bend	trans	-76.4	-11.9	178.1	-64.7	174.1	0	0	0	113.8	F134 Y135 I141 V154 R157 L158 L161	F134-L139 HydrophobicContact CD1-CD1 4.06Å; F134-L139 HydrophobicContact CD1-CG 4.23Å; F134-L139 HydrophobicContact CE1-CD1 3.7Å; F134-L139 HydrophobicContact CE1-CD2 4.23Å; F134-L139 HydrophobicContact CE1-CG 3.73Å; F134-L139 HydrophobicContact CZ-CD2 4.5Å; F134-L139 HydrophobicContact CZ-CG 4.31Å; F134-L139 PolarHBondContact O-N 3.02Å; F134-L139 VanDerWaalsContact O-N 3.14Å; Y135-L139 HydrophobicContact CD1-CD1 3.68Å; Y135-L139 HydrophobicContact CD2-CD1 4.41Å; Y135-L139 HydrophobicContact CE1-CD1 3.74Å; Y135-L139 HydrophobicContact CE2-CD1 4.47Å; Y135-L139 HydrophobicContact CG-CD1 4.03Å; L139-I141 VanDerWaalsContact C-N 3.32Å; L139-I141 HydrophobicContact CB-CD1 4.11Å; L139-I141 HydrophobicContact CB-CG1 4.21Å; L139-I141 PolarHBondContact O-N 3.4Å; L139-V154 HydrophobicContact CD1-CG1 4.32Å; L139-R157 HydrophobicContact CD2-CB 3.88Å; L139-R157 PolarHBondContact O-NH1 3.47Å; L139-L158 HydrophobicContact CD2-CB 4.39Å; L139-L158 HydrophobicContact CD2-CD1 4.46Å; L139-L161 HydrophobicContact CD2-CD2 3.96Å; L139-L161 HydrophobicContact CG-CD2 4.48Å
140	K	89.9	Confident	88.6	Confident	140 Å²	140	57.5 Å²	57.5	61%	0.609	28%	0.282	S	S	*	.			trans	54.2	47.2	-178.6	-57.4	166	-172.7	159.2	0	111.5	Y135 A138 R157 E164	Y135-K140 PolarHBondContact O-N 3.46Å; A138-K140 VanDerWaalsContact C-N 3.27Å; A138-K140 PolarHBondContact O-N 3.38Å; K140-R157 PolarHBondContact O-NH1 2.94Å; K140-E164 IonicContact NZ-OE2 3.65Å
141	I	90.6	Very high	88.8	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.01	27%	0.268	C	S	.	.			trans	-115.6	123.2	176	-62.8	173.4	0	0	0	108.2	Y135 L139 M143 L146 F149 V154	Y135-I141 HydrophobicContact CD1-CB 4.36Å; Y135-I141 HydrophobicContact CD1-CD1 4.11Å; Y135-I141 HydrophobicContact CE1-CD1 4.29Å; Y135-I141 PolarHBondContact O-N 3.22Å; L139-I141 VanDerWaalsContact C-N 3.32Å; L139-I141 HydrophobicContact CB-CD1 4.11Å; L139-I141 HydrophobicContact CB-CG1 4.21Å; L139-I141 PolarHBondContact O-N 3.4Å; I141-M143 VanDerWaalsContact O-CE 3.31Å; I141-M143 WeakPolarHBondContact O-CE 3.31Å; I141-L146 HydrophobicContact CG2-CD1 4.19Å; I141-F149 HydrophobicContact CG1-CE2 4.34Å; I141-F149 HydrophobicContact CG2-CD2 3.82Å; I141-F149 HydrophobicContact CG2-CE2 3.9Å; I141-V154 HydrophobicContact CD1-CG2 4.05Å
142	K	89.4	Confident	88.9	Confident	121 Å²	121	56.3 Å²	56.3	53%	0.526	28%	0.276	S	S	.	.			trans	-73.8	152.8	172	-58.6	-171.1	-157.3	127.6	0	110.3	D144 E145 L146	K142-D144 VanDerWaalsContact C-N 3.31Å; K142-D144 PolarHBondContact O-N 2.87Å; K142-E145 HydrophobicContact CB-CB 4.42Å; K142-E145 HydrophobicContact CB-CG 4.19Å; K142-E145 WeakPolarHBondContact CD-OE1 3.39Å; K142-E145 WeakPolarHBondContact CE-OE1 2.9Å; K142-E145 IonicContact NZ-OE1 3.12Å; K142-E145 PolarHBondContact NZ-OE1 3.48Å; K142-E145 PolarHBondContact O-N 3.19Å; K142-L146 PolarHBondContact O-N 3.36Å
143	M	87.2	Confident	88.9	Confident	42 Å²	42	54.5 Å²	54.5	21%	0.207	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-35.4	-177.1	-59.1	-60.3	84.6	0	0	112.3	Y21 R132 I136 I141 E145 L146	Y21-M143 HydrophobicContact CE1-SD 4.27Å; Y21-M143 PolarHBondContact OH-SD 2.89Å; R132-M143 HydrophobicContact CG-SD 3.86Å; I136-M143 HydrophobicContact CD1-CE 4.29Å; I136-M143 HydrophobicContact CD1-CG 4.06Å; I136-M143 HydrophobicContact CD1-SD 4.21Å; I136-M143 HydrophobicContact CG1-CE 3.57Å; I136-M143 HydrophobicContact CG1-CG 4.28Å; I136-M143 HydrophobicContact CG1-SD 4.15Å; I141-M143 VanDerWaalsContact O-CE 3.31Å; I141-M143 WeakPolarHBondContact O-CE 3.31Å; M143-E145 VanDerWaalsContact C-N 3.26Å; M143-E145 PolarHBondContact O-N 3.03Å; M143-L146 WeakPolarHBondContact O-CB 3.43Å; M143-L146 PolarHBondContact O-N 3.39Å
144	D	86.7	Confident	89	Confident	141 Å²	141	52.1 Å²	52.1	75%	0.754	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-25	-178.9	-37.5	-62.7	0	0	0	112	K142	K142-D144 VanDerWaalsContact C-N 3.31Å; K142-D144 PolarHBondContact O-N 2.87Å
145	E	89.2	Confident	89.2	Confident	66 Å²	66	51.3 Å²	51.3	31%	0.308	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-11.8	178.2	-63	166	-170.2	0	0	112.2	K142 M143 C147 N148 F149	K142-E145 HydrophobicContact CB-CB 4.42Å; K142-E145 HydrophobicContact CB-CG 4.19Å; K142-E145 WeakPolarHBondContact CD-OE1 3.39Å; K142-E145 WeakPolarHBondContact CE-OE1 2.9Å; K142-E145 IonicContact NZ-OE1 3.12Å; K142-E145 PolarHBondContact NZ-OE1 3.48Å; K142-E145 PolarHBondContact O-N 3.19Å; M143-E145 VanDerWaalsContact C-N 3.26Å; M143-E145 PolarHBondContact O-N 3.03Å; E145-C147 VanDerWaalsContact C-N 3.31Å; E145-C147 PolarHBondContact O-N 2.84Å; E145-N148 WeakPolarHBondContact O-CB 3.43Å; E145-N148 PolarHBondContact O-N 3.48Å; E145-F149 HydrophobicContact CB-CE2 3.98Å; E145-F149 VanDerWaalsContact O-CD2 3.29Å; E145-F149 WeakPolarHBondContact O-CD2 3.32Å
146	L	89.3	Confident	89.1	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.01	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-58.9	-38.4	-170.5	-178.9	65	0	0	0	113.2	Y21 Y135 I141 K142 M143 N148 F149	Y21-L146 HydrophobicContact CD1-CD2 4Å; Y21-L146 HydrophobicContact CE1-CD2 3.7Å; Y135-L146 HydrophobicContact CD1-CD1 3.99Å; Y135-L146 HydrophobicContact CE1-CD1 3.74Å; I141-L146 HydrophobicContact CG2-CD1 4.19Å; K142-L146 PolarHBondContact O-N 3.36Å; M143-L146 WeakPolarHBondContact O-CB 3.43Å; M143-L146 PolarHBondContact O-N 3.39Å; L146-N148 PolarHBondContact O-N 2.8Å; L146-F149 PolarHBondContact O-N 2.83Å
147	C	87.6	Confident	89.1	Confident	82 Å²	82	54 Å²	54	55%	0.554	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-66.8	-18.6	178.7	-60.4	0	0	0	0	113.6	E145	E145-C147 VanDerWaalsContact C-N 3.31Å; E145-C147 PolarHBondContact O-N 2.84Å
148	N	88.9	Confident	89	Confident	87 Å²	87	46.9 Å²	46.9	47%	0.465	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-89.8	-17.1	-178.4	-61.1	-12.1	0	0	0	112	E145 L146 I674	E145-N148 WeakPolarHBondContact O-CB 3.43Å; E145-N148 PolarHBondContact O-N 3.48Å; L146-N148 PolarHBondContact O-N 2.8Å; N148-I674 HydrophobicContact CB-CD1 3.81Å; N148-I674 WeakPolarHBondContact O-CD1 3.36Å; N148-I674 WeakPolarHBondContact O-CG1 3.49Å
149	F	89.1	Confident	89	Confident	36 Å²	36	47.2 Å²	47.2	16%	0.158	23%	0.233	C	C	.	.	S	Bend	trans	-81	139	176.4	-76.9	-76.6	0	0	0	111.1	H22 I141 E145 L146 E153 V154 R157	H22-F149 PolarHBondContact NE2-O 2.85Å; H22-F149 VanDerWaalsContact NE2-O 3.13Å; I141-F149 HydrophobicContact CG1-CE2 4.34Å; I141-F149 HydrophobicContact CG2-CD2 3.82Å; I141-F149 HydrophobicContact CG2-CE2 3.9Å; E145-F149 HydrophobicContact CB-CE2 3.98Å; E145-F149 VanDerWaalsContact O-CD2 3.29Å; E145-F149 WeakPolarHBondContact O-CD2 3.32Å; L146-F149 PolarHBondContact O-N 2.83Å; F149-E153 HydrophobicContact CD1-CB 4.02Å; F149-E153 VanDerWaalsContact CD1-OE2 3.29Å; F149-E153 WeakPolarHBondContact CD1-OE2 3.49Å; F149-V154 HydrophobicContact CB-CG2 4.15Å; F149-R157 VanDerWaalsContact CE1-NH2 3.33Å; F149-R157 VanDerWaalsContact CZ-NH2 3.29Å
150	T	90.1	Very high	89.1	Confident	42 Å²	42	49.8 Å²	49.8	26%	0.258	25%	0.252	S	S	.	.			trans	-80.4	155.9	166.1	66.6	0	0	0	0	110.7	Q152 E153 V154 N677	T150-Q152 PolarHBondContact O-N 2.91Å; T150-E153 WeakPolarHBondContact CB-OE1 3.25Å; T150-E153 WeakPolarHBondContact CG2-OE1 3.09Å; T150-E153 PolarHBondContact N-OE1 3.36Å; T150-E153 PolarHBondContact O-N 3.5Å; T150-E153 VanDerWaalsContact O-N 3.11Å; T150-E153 WeakPolarHBondContact OG1-CG 3.49Å; T150-E153 PolarHBondContact OG1-N 2.98Å; T150-E153 PolarHBondContact OG1-OE1 3.32Å; T150-V154 PolarHBondContact O-N 3.45Å; T150-N677 HydrophobicContact CG2-CB 4.36Å
151	W	91.4	Very high	88.8	Confident	7 Å²	7	43.5 Å²	43.5	3%	0.027	23%	0.225	C	C	.	.	H	α-helix	trans	-57.7	-34.3	175.7	171.4	-103.7	0	0	0	112.3	I18 Y19 H22 V154 Q155 I179 I183 L317 H319	I18-W151 HydrophobicContact CG2-CH2 4.45Å; I18-W151 HydrophobicContact CG2-CZ3 4.42Å; Y19-W151 AromaticContact CD2-CD2 3.81Å; Y19-W151 HydrophobicContact CD2-CD2 3.81Å; Y19-W151 AromaticContact CD2-CE2 3.84Å; Y19-W151 AromaticContact CD2-CE3 3.87Å; Y19-W151 HydrophobicContact CD2-CE3 3.87Å; Y19-W151 AromaticContact CD2-CH2 3.98Å; Y19-W151 HydrophobicContact CD2-CH2 3.98Å; Y19-W151 AromaticContact CD2-CZ2 3.93Å; Y19-W151 HydrophobicContact CD2-CZ2 3.93Å; Y19-W151 AromaticContact CD2-CZ3 3.96Å; Y19-W151 HydrophobicContact CD2-CZ3 3.96Å; Y19-W151 HydrophobicContact CE2-CD2 4.26Å; Y19-W151 HydrophobicContact CG-CH2 4.42Å; Y19-W151 HydrophobicContact CG-CZ3 4.47Å; H22-W151 HydrophobicContact CB-CE3 4.23Å; H22-W151 HydrophobicContact CB-CZ3 4.44Å; W151-V154 HydrophobicContact CE3-CB 4.27Å; W151-V154 HydrophobicContact CE3-CG1 4.22Å; W151-V154 HydrophobicContact CZ3-CB 4.46Å; W151-V154 HydrophobicContact CZ3-CG1 3.93Å; W151-V154 PolarHBondContact O-N 3.32Å; W151-Q155 VanDerWaalsContact NE1-OE1 3.08Å; W151-Q155 WeakPolarHBondContact O-CB 3.37Å; W151-Q155 PolarHBondContact O-N 2.96Å; W151-I179 HydrophobicContact CZ2-CG2 4.18Å; W151-I183 HydrophobicContact CH2-CD1 4.14Å; W151-I183 HydrophobicContact CZ2-CD1 3.71Å; W151-L317 HydrophobicContact CG-CD1 4.47Å; W151-L317 VanDerWaalsContact NE1-CD1 3.35Å; W151-H319 AromaticContact CD1-CE1 3.9Å; W151-H319 AromaticContact CG-CE1 3.92Å
152	Q	89.8	Confident	88.4	Confident	35 Å²	35	43.4 Å²	43.4	16%	0.164	22%	0.224	C	C	.	.	H	α-helix	trans	-61.6	-44.3	177.1	-64.9	-66.7	-29.9	0	0	111.1	T150 V154 Q155 D156 Y180	T150-Q152 PolarHBondContact O-N 2.91Å; Q152-V154 VanDerWaalsContact C-N 3.32Å; Q152-V154 PolarHBondContact O-N 3.03Å; Q152-Q155 WeakPolarHBondContact O-CB 3.43Å; Q152-Q155 PolarHBondContact O-N 3.34Å; Q152-D156 PolarHBondContact O-N 3.13Å; Q152-Y180 PolarHBondContact NE2-OH 3.04Å
153	E	89.9	Confident	87.9	Confident	36 Å²	36	45.3 Å²	45.3	17%	0.168	23%	0.228	C	C	.	.	H	α-helix	trans	-65.6	-33.4	175.9	-69.2	159	-118.3	0	0	113.2	F149 T150 R157 N677	F149-E153 HydrophobicContact CD1-CB 4.02Å; F149-E153 VanDerWaalsContact CD1-OE2 3.29Å; F149-E153 WeakPolarHBondContact CD1-OE2 3.49Å; T150-E153 WeakPolarHBondContact CB-OE1 3.25Å; T150-E153 WeakPolarHBondContact CG2-OE1 3.09Å; T150-E153 PolarHBondContact N-OE1 3.36Å; T150-E153 PolarHBondContact O-N 3.5Å; T150-E153 VanDerWaalsContact O-N 3.11Å; T150-E153 WeakPolarHBondContact OG1-CG 3.49Å; T150-E153 PolarHBondContact OG1-N 2.98Å; T150-E153 PolarHBondContact OG1-OE1 3.32Å; E153-R157 WeakPolarHBondContact O-CG 3.3Å; E153-R157 PolarHBondContact O-N 3.11Å; E153-R157 VanDerWaalsContact O-N 3.16Å; E153-N677 PolarHBondContact OE1-ND2 3.03Å
154	V	91.4	Very high	87.6	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-69.4	-40.4	173.7	175.9	0	0	0	0	111.2	Y135 L139 I141 F149 T150 W151 Q152 R157 L158	Y135-V154 HydrophobicContact CE1-CG1 3.98Å; L139-V154 HydrophobicContact CD1-CG1 4.32Å; I141-V154 HydrophobicContact CD1-CG2 4.05Å; F149-V154 HydrophobicContact CB-CG2 4.15Å; T150-V154 PolarHBondContact O-N 3.45Å; W151-V154 HydrophobicContact CE3-CB 4.27Å; W151-V154 HydrophobicContact CE3-CG1 4.22Å; W151-V154 HydrophobicContact CZ3-CB 4.46Å; W151-V154 HydrophobicContact CZ3-CG1 3.93Å; W151-V154 PolarHBondContact O-N 3.32Å; Q152-V154 VanDerWaalsContact C-N 3.32Å; Q152-V154 PolarHBondContact O-N 3.03Å; V154-R157 PolarHBondContact O-N 3.19Å; V154-L158 WeakPolarHBondContact O-CB 3.28Å; V154-L158 PolarHBondContact O-N 3.27Å
155	Q	90.4	Very high	86.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.8	-42.3	174.8	-179.6	177.3	-37.3	0	0	111.4	W151 Q152 L158 I159 E176 I179 N535	W151-Q155 VanDerWaalsContact NE1-OE1 3.08Å; W151-Q155 WeakPolarHBondContact O-CB 3.37Å; W151-Q155 PolarHBondContact O-N 2.96Å; Q152-Q155 WeakPolarHBondContact O-CB 3.43Å; Q152-Q155 PolarHBondContact O-N 3.34Å; Q155-L158 WeakPolarHBondContact O-CB 3.48Å; Q155-L158 PolarHBondContact O-N 3.48Å; Q155-L158 VanDerWaalsContact O-N 3.13Å; Q155-I159 HydrophobicContact CG-CD1 4.21Å; Q155-I159 WeakPolarHBondContact O-CG1 3.2Å; Q155-I159 PolarHBondContact O-N 2.93Å; Q155-E176 VanDerWaalsContact NE2-CB 3.29Å; Q155-I179 HydrophobicContact CG-CD1 3.83Å; Q155-N535 PolarHBondContact NE2-OD1 3.14Å
156	D	88.9	Confident	85.8	Confident	40 Å²	40	50.6 Å²	50.6	21%	0.214	25%	0.248	C	C	.	.	H	α-helix	trans	-63.4	-43.7	177.9	-67	-0.3	0	0	0	112.5	Q152 L158 I159 S160 R537	Q152-D156 PolarHBondContact O-N 3.13Å; D156-L158 VanDerWaalsContact C-N 3.3Å; D156-L158 PolarHBondContact O-N 2.94Å; D156-I159 PolarHBondContact O-N 3.48Å; D156-S160 WeakPolarHBondContact O-CB 3.41Å; D156-S160 PolarHBondContact O-N 2.79Å; D156-S160 PolarHBondContact O-OG 2.8Å; D156-R537 VanDerWaalsContact CG-NH1 3.26Å; D156-R537 IonicContact OD1-CZ 2.78Å; D156-R537 VanDerWaalsContact OD1-CZ 3.26Å; D156-R537 IonicContact OD1-NH1 2.81Å; D156-R537 PolarHBondContact OD1-NH1 2.96Å; D156-R537 IonicContact OD1-NH2 3.17Å; D156-R537 PolarHBondContact OD1-NH2 2.77Å; D156-R537 IonicContact OD2-CZ 3.9Å; D156-R537 VanDerWaalsContact OD2-CZ 3.29Å; D156-R537 IonicContact OD2-NH1 3.79Å; D156-R537 PolarHBondContact OD2-NH1 3.06Å; D156-R537 IonicContact OD2-NH2 3.54Å; D156-R537 PolarHBondContact OD2-NH2 2.65Å; D156-R537 VanDerWaalsContact OD2-NH2 3.1Å
157	R	89.3	Confident	84.5	Confident	83 Å²	83	51.3 Å²	51.3	31%	0.313	25%	0.251	S	S	.	.	H	α-helix	trans	-64	-36.4	173.6	-72.8	173.5	177.7	-126.2	9.7	111.2	L139 K140 F149 E153 V154 L161	L139-R157 HydrophobicContact CD2-CB 3.88Å; L139-R157 PolarHBondContact O-NH1 3.47Å; K140-R157 PolarHBondContact O-NH1 2.94Å; F149-R157 VanDerWaalsContact CE1-NH2 3.33Å; F149-R157 VanDerWaalsContact CZ-NH2 3.29Å; E153-R157 WeakPolarHBondContact O-CG 3.3Å; E153-R157 PolarHBondContact O-N 3.11Å; E153-R157 VanDerWaalsContact O-N 3.16Å; V154-R157 PolarHBondContact O-N 3.19Å; R157-L161 WeakPolarHBondContact O-CB 3.39Å; R157-L161 PolarHBondContact O-N 3.43Å
158	L	87.4	Confident	83.5	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-68.4	-39.2	176.8	-172.1	65.6	0	0	0	112.5	F134 L139 V154 Q155 D156 Q162 M167 I179	F134-L158 HydrophobicContact CE1-CD1 4.1Å; F134-L158 HydrophobicContact CZ-CD1 3.81Å; L139-L158 HydrophobicContact CD2-CB 4.39Å; L139-L158 HydrophobicContact CD2-CD1 4.46Å; V154-L158 WeakPolarHBondContact O-CB 3.28Å; V154-L158 PolarHBondContact O-N 3.27Å; Q155-L158 WeakPolarHBondContact O-CB 3.48Å; Q155-L158 PolarHBondContact O-N 3.48Å; Q155-L158 VanDerWaalsContact O-N 3.13Å; D156-L158 VanDerWaalsContact C-N 3.3Å; D156-L158 PolarHBondContact O-N 2.94Å; L158-Q162 PolarHBondContact O-N 3.25Å; L158-Q162 VanDerWaalsContact O-N 3.12Å; L158-M167 HydrophobicContact CD1-CE 4.14Å; L158-M167 HydrophobicContact CD1-SD 4.43Å; L158-I179 HydrophobicContact CD2-CD1 4.09Å; L158-I179 HydrophobicContact CD2-CG1 4.4Å
159	I	86.9	Confident	82.2	Confident	21 Å²	21	48.3 Å²	48.3	11%	0.108	23%	0.229	C	C	.	.	H	α-helix	trans	-67.4	-44.3	174.5	-67.7	168.4	0	0	0	110.5	Q155 D156 Q162 E176 I179	Q155-I159 HydrophobicContact CG-CD1 4.21Å; Q155-I159 WeakPolarHBondContact O-CG1 3.2Å; Q155-I159 PolarHBondContact O-N 2.93Å; D156-I159 PolarHBondContact O-N 3.48Å; I159-Q162 WeakPolarHBondContact O-CB 3.36Å; I159-Q162 PolarHBondContact O-N 3.34Å; I159-E176 HydrophobicContact CD1-CG 3.87Å; I159-I179 HydrophobicContact CD1-CD1 4.1Å; I159-I179 HydrophobicContact CG1-CD1 3.72Å
160	S	87.1	Confident	80.8	Confident	59 Å²	59	53.1 Å²	53.1	41%	0.413	25%	0.251	S	S	.	.	H	α-helix	trans	-63.8	-45.4	177.3	-55	0	0	0	0	111.5	D156 Q162 R163 E164	D156-S160 WeakPolarHBondContact O-CB 3.41Å; D156-S160 PolarHBondContact O-N 2.79Å; D156-S160 PolarHBondContact O-OG 2.8Å; S160-Q162 VanDerWaalsContact C-N 3.27Å; S160-Q162 PolarHBondContact O-N 2.83Å; S160-R163 WeakPolarHBondContact O-CB 3.45Å; S160-R163 PolarHBondContact O-N 3.32Å; S160-E164 PolarHBondContact O-N 2.75Å
161	L	84.9	Confident	79.7	Confident	8 Å²	8	54.1 Å²	54.1	4%	0.042	25%	0.252	C	S	.	.	H	α-helix	trans	-61.2	-32.5	176.6	-178.6	67.5	0	0	0	112.4	F134 A138 L139 R157 R163 E164 Q165 M167	F134-L161 HydrophobicContact CE2-CD2 3.84Å; F134-L161 HydrophobicContact CZ-CD2 3.61Å; A138-L161 HydrophobicContact CB-CD1 4.27Å; A138-L161 HydrophobicContact CB-CD2 3.67Å; L139-L161 HydrophobicContact CD2-CD2 3.96Å; L139-L161 HydrophobicContact CG-CD2 4.48Å; R157-L161 WeakPolarHBondContact O-CB 3.39Å; R157-L161 PolarHBondContact O-N 3.43Å; L161-R163 PolarHBondContact O-N 2.87Å; L161-E164 PolarHBondContact O-N 2.69Å; L161-Q165 HydrophobicContact CD1-CB 4.4Å; L161-Q165 HydrophobicContact CD1-CG 4.08Å; L161-Q165 PolarHBondContact O-N 2.97Å; L161-M167 HydrophobicContact CB-CE 4Å; L161-M167 HydrophobicContact CD2-CE 3.82Å; L161-M167 HydrophobicContact CD2-SD 3.97Å; L161-M167 HydrophobicContact CG-CE 3.67Å; L161-M167 HydrophobicContact CG-SD 4.31Å
162	Q	81.2	Confident	78.3	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.8	-28.7	174.9	171.4	72	46.8	0	0	112.7	L158 I159 S160 Q165 M167 C168 K171 L174	L158-Q162 PolarHBondContact O-N 3.25Å; L158-Q162 VanDerWaalsContact O-N 3.12Å; I159-Q162 WeakPolarHBondContact O-CB 3.36Å; I159-Q162 PolarHBondContact O-N 3.34Å; S160-Q162 VanDerWaalsContact C-N 3.27Å; S160-Q162 PolarHBondContact O-N 2.83Å; Q162-Q165 CarbonylContact C-O 3.39Å; Q162-Q165 WeakPolarHBondContact CA-O 3.38Å; Q162-Q165 CarbonylContact O-C 3.46Å; Q162-Q165 VanDerWaalsContact O-O 3.13Å; Q162-M167 HydrophobicContact CB-CE 3.97Å; Q162-C168 PolarHBondContact NE2-O 2.86Å; Q162-C168 VanDerWaalsContact NE2-O 3.16Å; Q162-K171 PolarHBondContact NE2-O 3.36Å; Q162-L174 HydrophobicContact CB-CB 4.24Å; Q162-L174 HydrophobicContact CG-CB 3.77Å
163	R	80	Confident	77.6	Confident	162 Å²	162	65.2 Å²	65.2	61%	0.611	30%	0.302	S	S	*	.	H	α-helix	trans	-75.1	-37.2	174.9	-66.5	177.3	166	151.7	-3.5	111.8	S160 L161 E173	S160-R163 WeakPolarHBondContact O-CB 3.45Å; S160-R163 PolarHBondContact O-N 3.32Å; L161-R163 PolarHBondContact O-N 2.87Å; R163-E173 IonicContact CZ-OE1 2.79Å; R163-E173 IonicContact NE-OE1 2.64Å; R163-E173 PolarHBondContact NE-OE1 3.44Å; R163-E173 IonicContact NH2-OE1 2.64Å; R163-E173 PolarHBondContact NH2-OE1 3.4Å
164	E	80.8	Confident	77.2	Confident	133 Å²	133	63.9 Å²	63.9	62%	0.621	30%	0.295	S	S	*	.	H	α-helix	trans	-75.7	-38.1	176.5	-64.4	-179.5	-165.5	0	0	112.5	K140 S160 L161	K140-E164 IonicContact NZ-OE2 3.65Å; S160-E164 PolarHBondContact O-N 2.75Å; L161-E164 PolarHBondContact O-N 2.69Å
165	Q	70.6	Confident	77	Confident	98 Å²	98	66.1 Å²	66.1	46%	0.458	31%	0.309	S	S	.	.	S	Bend	trans	-133.3	113.7	-175.1	-61.4	-176.2	-4.1	0	0	109.2	L161 Q162 M167	L161-Q165 HydrophobicContact CD1-CB 4.4Å; L161-Q165 HydrophobicContact CD1-CG 4.08Å; L161-Q165 PolarHBondContact O-N 2.97Å; Q162-Q165 CarbonylContact C-O 3.39Å; Q162-Q165 WeakPolarHBondContact CA-O 3.38Å; Q162-Q165 CarbonylContact O-C 3.46Å; Q162-Q165 VanDerWaalsContact O-O 3.13Å; Q165-M167 PolarHBondContact O-N 2.86Å
166	Q	66.4	Low	77	Confident	128 Å²	128	67 Å²	67	60%	0.598	31%	0.313	S	S	*	.			trans	-72.3	68.8	-177.6	-68.6	-171	-9.9	0	0	113.1	C168	Q166-C168 PolarHBondContact O-N 3.01Å
167	M	63.4	Low	77.2	Confident	17 Å²	17	66.1 Å²	66.1	8%	0.084	31%	0.308	C	S	.	.	S	Bend	trans	-64.5	-27.6	175.6	-62.5	172.7	-76.7	0	0	112.2	Y8 F11 F134 L158 L161 Q162 Q165	Y8-M167 WeakPolarHBondContact CE2-O 3.14Å; Y8-M167 PolarHBondContact OH-O 2.97Å; F11-M167 HydrophobicContact CD1-CB 4.41Å; F11-M167 HydrophobicContact CE1-CB 4.06Å; F11-M167 HydrophobicContact CE1-CG 3.75Å; F11-M167 HydrophobicContact CE1-SD 3.75Å; F11-M167 HydrophobicContact CZ-CG 4.33Å; F11-M167 HydrophobicContact CZ-SD 4.37Å; F134-M167 HydrophobicContact CE2-SD 3.74Å; F134-M167 HydrophobicContact CZ-SD 3.83Å; L158-M167 HydrophobicContact CD1-CE 4.14Å; L158-M167 HydrophobicContact CD1-SD 4.43Å; L161-M167 HydrophobicContact CB-CE 4Å; L161-M167 HydrophobicContact CD2-CE 3.82Å; L161-M167 HydrophobicContact CD2-SD 3.97Å; L161-M167 HydrophobicContact CG-CE 3.67Å; L161-M167 HydrophobicContact CG-SD 4.31Å; Q162-M167 HydrophobicContact CB-CE 3.97Å; Q165-M167 PolarHBondContact O-N 2.86Å
168	C	65.1	Low	77.2	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.014	30%	0.295	C	S	.	.			trans	-104.4	112.7	165.9	-167.1	0	0	0	0	109.9	Y8 Q162 Q166 K171 R182	Y8-C168 WeakPolarHBondContact OH-CA 3.27Å; Q162-C168 PolarHBondContact NE2-O 2.86Å; Q162-C168 VanDerWaalsContact NE2-O 3.16Å; Q166-C168 PolarHBondContact O-N 3.01Å; C168-K171 VanDerWaalsContact O-O 3.13Å; C168-R182 PolarHBondContact SG-NH2 2.89Å; C168-R182 VanDerWaalsContact SG-NH2 3.36Å
169	I	61.7	Low	77.3	Confident	105 Å²	105	62.5 Å²	62.5	54%	0.538	30%	0.295	S	S	.	.	S	Bend	trans	-70.2	-40	179.8	-63.1	167.2	0	0	0	111.4	Y8 K171	Y8-I169 HydrophobicContact CD2-CD1 3.86Å; Y8-I169 HydrophobicContact CE1-CD1 4.41Å; Y8-I169 HydrophobicContact CE2-CB 4.5Å; Y8-I169 HydrophobicContact CE2-CD1 3.43Å; Y8-I169 VanDerWaalsContact CE2-CD1 3.43Å; Y8-I169 HydrophobicContact CE2-CG1 3.64Å; Y8-I169 PolarHBondContact OH-N 3.33Å; I169-K171 VanDerWaalsContact C-N 3.33Å; I169-K171 PolarHBondContact O-N 2.69Å
170	H	60.9	Low	77.6	Confident	136 Å²	136	61.5 Å²	61.5	63%	0.63	29%	0.29	S	S	*	.	S	Bend	trans	-79.1	-10.5	-172.2	-63.7	87.7	0	0	0	114.4
171	K	66.7	Low	77.9	Confident	63 Å²	63	59 Å²	59	27%	0.274	27%	0.272	S	S	.	.			trans	-146.7	117.1	-174	-154.4	-175.7	176.8	177.4	0	109.6	Q162 C168 I169 E173 D178	Q162-K171 PolarHBondContact NE2-O 3.36Å; C168-K171 VanDerWaalsContact O-O 3.13Å; I169-K171 VanDerWaalsContact C-N 3.33Å; I169-K171 PolarHBondContact O-N 2.69Å; K171-E173 VanDerWaalsContact C-N 3.31Å; K171-E173 WeakPolarHBondContact CD-O 3.29Å; K171-E173 VanDerWaalsContact CE-O 3.3Å; K171-E173 WeakPolarHBondContact CE-O 3.49Å; K171-E173 WeakPolarHBondContact CG-O 3.29Å; K171-E173 PolarHBondContact O-N 3.3Å; K171-D178 IonicContact NZ-OD1 3.48Å; K171-D178 PolarHBondContact NZ-OD1 3.36Å; K171-D178 IonicContact NZ-OD2 2.78Å; K171-D178 PolarHBondContact NZ-OD2 3.44Å
172	K	61.3	Low	78.1	Confident	171 Å²	171	59.3 Å²	59.3	74%	0.743	27%	0.273	S	S	*	.	S	Bend	trans	-64.1	-35.8	-177.3	-69.1	-175.9	178.5	-179.9	0	112.4
173	E	75	Confident	78.5	Confident	105 Å²	105	60 Å²	60	49%	0.491	28%	0.276	S	S	.	.	S	Bend	trans	-120.4	138.3	176.4	-57.6	-158	116.5	0	0	111	R163 K171	R163-E173 IonicContact CZ-OE1 2.79Å; R163-E173 IonicContact NE-OE1 2.64Å; R163-E173 PolarHBondContact NE-OE1 3.44Å; R163-E173 IonicContact NH2-OE1 2.64Å; R163-E173 PolarHBondContact NH2-OE1 3.4Å; K171-E173 VanDerWaalsContact C-N 3.31Å; K171-E173 WeakPolarHBondContact CD-O 3.29Å; K171-E173 VanDerWaalsContact CE-O 3.3Å; K171-E173 WeakPolarHBondContact CE-O 3.49Å; K171-E173 WeakPolarHBondContact CG-O 3.29Å; K171-E173 PolarHBondContact O-N 3.3Å
174	L	81.9	Confident	79.2	Confident	7 Å²	7	52.4 Å²	52.4	4%	0.037	25%	0.248	C	C	.	.			trans	-104.4	126.7	178.1	179.4	77.5	0	0	0	108.3	R15 Q162 D178 I179	R15-L174 VanDerWaalsContact NH1-CD1 3.27Å; Q162-L174 HydrophobicContact CB-CB 4.24Å; Q162-L174 HydrophobicContact CG-CB 3.77Å; L174-D178 HydrophobicContact CD1-CB 3.45Å; L174-D178 VanDerWaalsContact CD1-CB 3.45Å; L174-D178 HydrophobicContact CG-CB 4.25Å; L174-I179 HydrophobicContact CD1-CG1 4.45Å; L174-I179 HydrophobicContact CD2-CD1 3.78Å; L174-I179 HydrophobicContact CD2-CG1 3.61Å; L174-I179 HydrophobicContact CG-CD1 4.31Å; L174-I179 HydrophobicContact CG-CG1 3.98Å
175	T	87.4	Confident	79.8	Confident	48 Å²	48	47 Å²	47	29%	0.294	22%	0.222	S	C	.	.			trans	-85	163.2	175.1	66.9	0	0	0	0	110.8	L177 D178	T175-L177 VanDerWaalsContact C-N 3.29Å; T175-L177 PolarHBondContact O-N 3.47Å; T175-D178 PolarHBondContact N-OD2 3.07Å; T175-D178 PolarHBondContact O-N 3.21Å; T175-D178 PolarHBondContact OG1-N 3.47Å; T175-D178 PolarHBondContact OG1-OD2 2.91Å; T175-D178 VanDerWaalsContact OG1-OD2 3.11Å
176	E	90.5	Very high	80.9	Confident	19 Å²	19	44.5 Å²	44.5	9%	0.089	21%	0.209	C	C	.	.	H	α-helix	trans	-51.2	-52.1	168	-66.7	84.6	172.3	0	0	110.3	Q155 I159 D178 I179 Y180 N535 R537 W538	Q155-E176 VanDerWaalsContact NE2-CB 3.29Å; I159-E176 HydrophobicContact CD1-CG 3.87Å; E176-D178 VanDerWaalsContact C-N 3.31Å; E176-D178 PolarHBondContact O-N 2.79Å; E176-I179 WeakPolarHBondContact O-CB 3.26Å; E176-I179 PolarHBondContact O-N 2.9Å; E176-Y180 WeakPolarHBondContact O-CD2 3.18Å; E176-Y180 PolarHBondContact O-N 3.48Å; E176-N535 HydrophobicContact CB-CB 4.45Å; E176-N535 HydrophobicContact CG-CB 4.4Å; E176-R537 WeakPolarHBondContact OE1-CB 3.25Å; E176-R537 IonicContact OE1-NE 3.21Å; E176-W538 HydrophobicContact CB-CB 4.33Å; E176-W538 HydrophobicContact CG-CB 4.49Å
177	L	91.8	Very high	82.3	Confident	21 Å²	21	41.4 Å²	41.4	11%	0.11	19%	0.194	C	C	.	.	H	α-helix	trans	-57.2	-38.9	-177.7	-173	64.5	0	0	0	113.4	T175 I179 Y180 H181 M495 F531 W538	T175-L177 VanDerWaalsContact C-N 3.29Å; T175-L177 PolarHBondContact O-N 3.47Å; L177-I179 PolarHBondContact O-N 2.87Å; L177-Y180 PolarHBondContact O-N 2.82Å; L177-H181 PolarHBondContact O-N 3.21Å; L177-M495 HydrophobicContact CD1-CE 3.82Å; L177-F531 HydrophobicContact CB-CE1 4.2Å; L177-F531 HydrophobicContact CB-CZ 4.09Å; L177-F531 HydrophobicContact CD1-CE1 3.94Å; L177-F531 HydrophobicContact CD1-CE2 4.15Å; L177-F531 HydrophobicContact CD1-CZ 3.74Å; L177-W538 HydrophobicContact CD2-CZ2 3.9Å
178	D	89.7	Confident	83.9	Confident	7 Å²	7	40.7 Å²	40.7	4%	0.037	19%	0.19	C	C	.	.	H	α-helix	trans	-59.2	-34.5	176.1	-63.4	-42.8	0	0	0	112.1	K171 L174 T175 E176 R182 V486	K171-D178 IonicContact NZ-OD1 3.48Å; K171-D178 PolarHBondContact NZ-OD1 3.36Å; K171-D178 IonicContact NZ-OD2 2.78Å; K171-D178 PolarHBondContact NZ-OD2 3.44Å; L174-D178 HydrophobicContact CD1-CB 3.45Å; L174-D178 VanDerWaalsContact CD1-CB 3.45Å; L174-D178 HydrophobicContact CG-CB 4.25Å; T175-D178 PolarHBondContact N-OD2 3.07Å; T175-D178 PolarHBondContact O-N 3.21Å; T175-D178 PolarHBondContact OG1-N 3.47Å; T175-D178 PolarHBondContact OG1-OD2 2.91Å; T175-D178 VanDerWaalsContact OG1-OD2 3.11Å; E176-D178 VanDerWaalsContact C-N 3.31Å; E176-D178 PolarHBondContact O-N 2.79Å; D178-R182 VanDerWaalsContact O-CD 3.24Å; D178-R182 WeakPolarHBondContact O-CD 3.42Å; D178-R182 WeakPolarHBondContact O-CG 3.33Å; D178-R182 PolarHBondContact O-N 3.12Å; D178-V486 HydrophobicContact CB-CG2 4Å
179	I	90.1	Very high	85.4	Confident	2 Å²	2	40.6 Å²	40.6	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-70.4	-46.5	178.2	-63.5	166.3	0	0	0	109.8	W151 Q155 L158 I159 L174 E176 L177 R182 I183	W151-I179 HydrophobicContact CZ2-CG2 4.18Å; Q155-I179 HydrophobicContact CG-CD1 3.83Å; L158-I179 HydrophobicContact CD2-CD1 4.09Å; L158-I179 HydrophobicContact CD2-CG1 4.4Å; I159-I179 HydrophobicContact CD1-CD1 4.1Å; I159-I179 HydrophobicContact CG1-CD1 3.72Å; L174-I179 HydrophobicContact CD1-CG1 4.45Å; L174-I179 HydrophobicContact CD2-CD1 3.78Å; L174-I179 HydrophobicContact CD2-CG1 3.61Å; L174-I179 HydrophobicContact CG-CD1 4.31Å; L174-I179 HydrophobicContact CG-CG1 3.98Å; E176-I179 WeakPolarHBondContact O-CB 3.26Å; E176-I179 PolarHBondContact O-N 2.9Å; L177-I179 PolarHBondContact O-N 2.87Å; I179-R182 PolarHBondContact O-N 3.43Å; I179-I183 HydrophobicContact CG2-CD1 3.71Å; I179-I183 WeakPolarHBondContact O-CG1 3.3Å; I179-I183 PolarHBondContact O-N 3.31Å
180	Y	93.3	Very high	87.1	Confident	1 Å²	1	35.7 Å²	35.7	0%	0.004	16%	0.164	C	C	.	.	H	α-helix	trans	-63.1	-44.9	177.5	-77.4	-107.9	0	0	0	111.6	Q152 E176 L177 R182 I183 L184 N315 L317 E320 F531 N535	Q152-Y180 PolarHBondContact NE2-OH 3.04Å; E176-Y180 WeakPolarHBondContact O-CD2 3.18Å; E176-Y180 PolarHBondContact O-N 3.48Å; L177-Y180 PolarHBondContact O-N 2.82Å; Y180-R182 VanDerWaalsContact C-N 3.26Å; Y180-R182 PolarHBondContact O-N 3.08Å; Y180-I183 PolarHBondContact O-N 3.49Å; Y180-I183 VanDerWaalsContact O-N 3.16Å; Y180-L184 HydrophobicContact CD1-CD1 3.97Å; Y180-L184 VanDerWaalsContact O-CB 3.25Å; Y180-L184 WeakPolarHBondContact O-CB 3.33Å; Y180-L184 PolarHBondContact O-N 2.67Å; Y180-N315 HydrophobicContact CD1-CB 4.34Å; Y180-N315 WeakPolarHBondContact CD1-O 3.44Å; Y180-N315 VanDerWaalsContact CE1-O 3.26Å; Y180-N315 WeakPolarHBondContact CE1-O 3.31Å; Y180-L317 HydrophobicContact CD1-CD1 3.99Å; Y180-L317 HydrophobicContact CD1-CD2 4.16Å; Y180-L317 HydrophobicContact CD1-CG 3.72Å; Y180-L317 HydrophobicContact CE1-CD1 3.41Å; Y180-L317 VanDerWaalsContact CE1-CD1 3.41Å; Y180-L317 HydrophobicContact CE1-CD2 4.37Å; Y180-L317 HydrophobicContact CE1-CG 3.47Å; Y180-L317 VanDerWaalsContact CE1-CG 3.47Å; Y180-E320 PolarHBondContact OH-OE1 2.98Å; Y180-F531 AromaticContact CD1-CE2 3.8Å; Y180-F531 HydrophobicContact CD1-CE2 3.8Å; Y180-F531 AromaticContact CD2-CE2 3.7Å; Y180-F531 HydrophobicContact CD2-CE2 3.7Å; Y180-F531 AromaticContact CD2-CZ 3.95Å; Y180-F531 HydrophobicContact CD2-CZ 3.95Å; Y180-F531 HydrophobicContact CE1-CD2 4.48Å; Y180-F531 AromaticContact CE1-CE2 3.9Å; Y180-F531 HydrophobicContact CE1-CE2 3.9Å; Y180-F531 AromaticContact CE2-CE2 3.82Å; Y180-F531 HydrophobicContact CE2-CE2 3.82Å; Y180-F531 HydrophobicContact CE2-CZ 4.1Å; Y180-F531 AromaticContact CG-CE2 3.65Å; Y180-F531 HydrophobicContact CG-CE2 3.65Å; Y180-F531 HydrophobicContact CG-CZ 4.27Å; Y180-F531 AromaticContact CZ-CE2 3.9Å; Y180-N535 WeakPolarHBondContact CE2-OD1 3.33Å; Y180-N535 PolarHBondContact OH-ND2 3.45Å; Y180-N535 PolarHBondContact OH-OD1 3.23Å
181	H	92.3	Very high	88.9	Confident	5 Å²	5	29.2 Å²	29.2	2%	0.023	13%	0.134	C	C	.	.	H	α-helix	trans	-56.6	-39.2	175.4	-74	171.1	0	0	0	112.4	L177 R185 N315 V486 I489 A493	L177-H181 PolarHBondContact O-N 3.21Å; H181-R185 WeakPolarHBondContact O-CA 3.29Å; H181-R185 WeakPolarHBondContact O-CB 3.2Å; H181-R185 PolarHBondContact O-N 3.45Å; H181-N315 PolarHBondContact CD2-OD1 2.81Å; H181-V486 HydrophobicContact CB-CG1 3.86Å; H181-I489 HydrophobicContact CB-CG2 4.21Å; H181-I489 WeakPolarHBondContact CE1-CD1 3.28Å; H181-I489 WeakPolarHBondContact ND1-CD1 3.43Å; H181-A493 PolarHBondContact NE2-O 3.48Å
182	R	89.4	Confident	90.3	Very high	15 Å²	15	26.2 Å²	26.2	6%	0.057	12%	0.122	C	C	.	.	H	α-helix	trans	-69.5	-39.6	176.6	-70.7	164.3	178.7	-126.3	9.2	112.9	C168 D178 I179 Y180 G485 V486	C168-R182 PolarHBondContact SG-NH2 2.89Å; C168-R182 VanDerWaalsContact SG-NH2 3.36Å; D178-R182 VanDerWaalsContact O-CD 3.24Å; D178-R182 WeakPolarHBondContact O-CD 3.42Å; D178-R182 WeakPolarHBondContact O-CG 3.33Å; D178-R182 PolarHBondContact O-N 3.12Å; I179-R182 PolarHBondContact O-N 3.43Å; Y180-R182 VanDerWaalsContact C-N 3.26Å; Y180-R182 PolarHBondContact O-N 3.08Å; R182-G485 PolarHBondContact NH2-O 3.22Å; R182-V486 HydrophobicContact CG-CG1 4.24Å
183	I	91.2	Very high	92	Very high	16 Å²	16	18.1 Å²	18.1	8%	0.082	9%	0.086	C	C	.	.	H	α-helix	trans	-74.2	-36.2	179.1	-64.5	164.9	0	0	0	111.4	Y19 W151 I179 Y180 L317	Y19-I183 HydrophobicContact CD1-CG2 4.15Å; Y19-I183 HydrophobicContact CD2-CD1 4.3Å; Y19-I183 HydrophobicContact CG-CD1 4.2Å; Y19-I183 HydrophobicContact CG-CG2 4.18Å; W151-I183 HydrophobicContact CH2-CD1 4.14Å; W151-I183 HydrophobicContact CZ2-CD1 3.71Å; I179-I183 HydrophobicContact CG2-CD1 3.71Å; I179-I183 WeakPolarHBondContact O-CG1 3.3Å; I179-I183 PolarHBondContact O-N 3.31Å; Y180-I183 PolarHBondContact O-N 3.49Å; Y180-I183 VanDerWaalsContact O-N 3.16Å; I183-L317 HydrophobicContact CB-CD2 4.33Å; I183-L317 HydrophobicContact CD1-CD2 4.26Å; I183-L317 HydrophobicContact CG2-CD2 3.75Å
184	L	94.3	Very high	93	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-110.7	-0	-165.9	-60.9	174.5	0	0	0	114.7	Y180 F186 K187 N188 E316 L317	Y180-L184 HydrophobicContact CD1-CD1 3.97Å; Y180-L184 VanDerWaalsContact O-CB 3.25Å; Y180-L184 WeakPolarHBondContact O-CB 3.33Å; Y180-L184 PolarHBondContact O-N 2.67Å; L184-F186 PolarHBondContact O-N 3.07Å; L184-F186 VanDerWaalsContact O-N 3.13Å; L184-K187 HydrophobicContact CD2-CB 4.36Å; L184-K187 HydrophobicContact CD2-CD 4.02Å; L184-K187 HydrophobicContact CD2-CG 4.47Å; L184-K187 CarbonylContact O-C 3.41Å; L184-K187 WeakPolarHBondContact O-CA 3.38Å; L184-K187 WeakPolarHBondContact O-CB 3.41Å; L184-K187 PolarHBondContact O-N 3.45Å; L184-N188 PolarHBondContact O-N 3.39Å; L184-E316 WeakPolarHBondContact CD1-O 3.4Å; L184-L317 HydrophobicContact CD1-CD2 4Å; L184-L317 HydrophobicContact CD1-CG 4.38Å; L184-L317 HydrophobicContact CD2-CD2 4.18Å; L184-L317 HydrophobicContact CG-CD2 4.11Å
185	R	93.6	Very high	93.6	Very high	20 Å²	20	13.6 Å²	13.6	8%	0.075	7%	0.066	C	C	.	.	H	α-helix	trans	-33.3	-64.2	-178.4	-177.8	-178.5	-71.1	112.3	8.3	113.6	H181 N188 Y189 K237 W238 V486 D488	H181-R185 WeakPolarHBondContact O-CA 3.29Å; H181-R185 WeakPolarHBondContact O-CB 3.2Å; H181-R185 PolarHBondContact O-N 3.45Å; R185-N188 PolarHBondContact O-N 3.28Å; R185-Y189 HydrophobicContact CG-CD2 4.5Å; R185-Y189 HydrophobicContact CG-CE2 4.17Å; R185-Y189 WeakPolarHBondContact O-CD2 3.39Å; R185-Y189 PolarHBondContact O-N 2.67Å; R185-K237 PolarHBondContact NH1-O 3.33Å; R185-W238 VanDerWaalsContact CZ-CA 3.45Å; R185-W238 VanDerWaalsContact CZ-CB 3.49Å; R185-V486 PolarHBondContact NH2-O 2.97Å; R185-D488 VanDerWaalsContact CD-O 3.31Å; R185-D488 WeakPolarHBondContact CD-O 3.37Å; R185-D488 PolarHBondContact NE-O 3.33Å
186	F	93.9	Very high	93.9	Very high	46 Å²	46	13 Å²	13	20%	0.202	6%	0.059	C	C	.	.	H	α-helix	trans	-72.7	-29.6	-177.2	-55.9	-44.6	0	0	0	113.4	L184 Y189 M190 F227 F234 K237	L184-F186 PolarHBondContact O-N 3.07Å; L184-F186 VanDerWaalsContact O-N 3.13Å; F186-Y189 PolarHBondContact O-N 3.02Å; F186-M190 WeakPolarHBondContact O-CG 3.37Å; F186-M190 PolarHBondContact O-N 2.76Å; F186-F227 HydrophobicContact CB-CD1 4.28Å; F186-F227 HydrophobicContact CB-CD2 3.86Å; F186-F227 HydrophobicContact CB-CE1 4.37Å; F186-F227 HydrophobicContact CB-CE2 3.98Å; F186-F227 HydrophobicContact CB-CG 4.03Å; F186-F227 HydrophobicContact CB-CZ 4.24Å; F186-F227 HydrophobicContact CD1-CB 3.81Å; F186-F227 AromaticContact CD1-CD1 3.3Å; F186-F227 HydrophobicContact CD1-CD1 3.3Å; F186-F227 HydrophobicContact CD1-CD2 4.25Å; F186-F227 AromaticContact CD1-CE1 3.86Å; F186-F227 HydrophobicContact CD1-CE1 3.86Å; F186-F227 AromaticContact CD1-CG 3.52Å; F186-F227 HydrophobicContact CD1-CG 3.52Å; F186-F227 HydrophobicContact CD2-CB 4.27Å; F186-F227 HydrophobicContact CD2-CG 4.48Å; F186-F227 HydrophobicContact CE1-CB 3.89Å; F186-F227 AromaticContact CE1-CD1 3.82Å; F186-F227 HydrophobicContact CE1-CD1 3.82Å; F186-F227 HydrophobicContact CE1-CG 4.06Å; F186-F227 HydrophobicContact CE2-CB 4.33Å; F186-F227 HydrophobicContact CG-CB 4.01Å; F186-F227 AromaticContact CG-CD1 3.99Å; F186-F227 HydrophobicContact CG-CD1 3.99Å; F186-F227 HydrophobicContact CG-CD2 4.1Å; F186-F227 HydrophobicContact CG-CE1 4.48Å; F186-F227 AromaticContact CG-CG 3.77Å; F186-F227 HydrophobicContact CG-CG 3.77Å; F186-F227 HydrophobicContact CZ-CB 4.14Å; F186-F234 HydrophobicContact CE1-CD1 4.01Å; F186-F234 HydrophobicContact CE1-CD2 4.04Å; F186-F234 HydrophobicContact CE1-CE1 4.12Å; F186-F234 HydrophobicContact CE1-CE2 4.14Å; F186-F234 AromaticContact CE1-CG 3.98Å; F186-F234 HydrophobicContact CE1-CG 3.98Å; F186-F234 HydrophobicContact CE1-CZ 4.2Å; F186-K237 VanDerWaalsContact CZ-O 3.26Å; F186-K237 WeakPolarHBondContact CZ-O 3.34Å
187	K	95.2	Very high	94.1	Very high	62 Å²	62	15.4 Å²	15.4	27%	0.27	8%	0.078	S	C	.	.	H	α-helix	trans	-67.7	-39.8	175.3	-58.7	-156.9	179.6	-151.8	0	111.6	L184 Y189 M190 V191 N318	L184-K187 HydrophobicContact CD2-CB 4.36Å; L184-K187 HydrophobicContact CD2-CD 4.02Å; L184-K187 HydrophobicContact CD2-CG 4.47Å; L184-K187 CarbonylContact O-C 3.41Å; L184-K187 WeakPolarHBondContact O-CA 3.38Å; L184-K187 WeakPolarHBondContact O-CB 3.41Å; L184-K187 PolarHBondContact O-N 3.45Å; K187-Y189 VanDerWaalsContact C-N 3.33Å; K187-Y189 PolarHBondContact O-N 3.4Å; K187-M190 PolarHBondContact O-N 3.03Å; K187-V191 VanDerWaalsContact O-CG2 3.3Å; K187-V191 WeakPolarHBondContact O-CG2 3.07Å; K187-V191 PolarHBondContact O-N 3.39Å; K187-N318 PolarHBondContact NZ-ND2 3.17Å; K187-N318 PolarHBondContact NZ-OD1 3.1Å
188	N	96.9	Very high	94.2	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.011	8%	0.077	C	C	.	.	H	α-helix	trans	-64.9	-36	176	-71.6	-19.4	0	0	0	111.9	L184 R185 A192 F314 N315 C490 A493	L184-N188 PolarHBondContact O-N 3.39Å; R185-N188 PolarHBondContact O-N 3.28Å; N188-A192 WeakPolarHBondContact O-CB 3.17Å; N188-A192 PolarHBondContact O-N 3.01Å; N188-F314 HydrophobicContact CB-CD1 4.49Å; N188-N315 PolarHBondContact ND2-OD1 3.16Å; N188-N315 PolarHBondContact OD1-N 3.16Å; N188-C490 HydrophobicContact CB-CB 4.16Å; N188-A493 HydrophobicContact CB-CB 3.89Å; N188-A493 VanDerWaalsContact ND2-CB 3.28Å; N188-A493 WeakPolarHBondContact ND2-CB 3.29Å
189	Y	97.2	Very high	94.4	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-63.2	-47.4	169	-76.1	-68.4	0	0	0	111.7	R185 F186 K187 V191 A192 M193 F227 F234 F475 F476 T480 I489 C490	R185-Y189 HydrophobicContact CG-CD2 4.5Å; R185-Y189 HydrophobicContact CG-CE2 4.17Å; R185-Y189 WeakPolarHBondContact O-CD2 3.39Å; R185-Y189 PolarHBondContact O-N 2.67Å; F186-Y189 PolarHBondContact O-N 3.02Å; K187-Y189 VanDerWaalsContact C-N 3.33Å; K187-Y189 PolarHBondContact O-N 3.4Å; Y189-V191 VanDerWaalsContact C-N 3.33Å; Y189-V191 PolarHBondContact O-N 3.33Å; Y189-A192 PolarHBondContact O-N 2.86Å; Y189-M193 WeakPolarHBondContact O-CG 3.41Å; Y189-M193 PolarHBondContact O-N 3.48Å; Y189-F227 HydrophobicContact CD2-CE1 4.13Å; Y189-F227 HydrophobicContact CG-CE1 4.18Å; Y189-F234 HydrophobicContact CD2-CZ 4.35Å; Y189-F234 HydrophobicContact CE2-CE2 4.3Å; Y189-F234 AromaticContact CE2-CZ 3.6Å; Y189-F234 HydrophobicContact CE2-CZ 3.6Å; Y189-F234 AromaticContact CZ-CZ 3.97Å; Y189-F475 AromaticContact CD1-CE1 3.95Å; Y189-F475 HydrophobicContact CD1-CE1 3.95Å; Y189-F475 HydrophobicContact CD1-CZ 4.36Å; Y189-F476 HydrophobicContact CD1-CD1 4.15Å; Y189-F476 AromaticContact CD1-CE1 3.55Å; Y189-F476 HydrophobicContact CD1-CE1 3.55Å; Y189-F476 HydrophobicContact CD1-CZ 4.24Å; Y189-F476 HydrophobicContact CD2-CE1 4.32Å; Y189-F476 AromaticContact CE1-CD1 3.84Å; Y189-F476 HydrophobicContact CE1-CD1 3.84Å; Y189-F476 AromaticContact CE1-CE1 3.65Å; Y189-F476 HydrophobicContact CE1-CE1 3.65Å; Y189-F476 HydrophobicContact CE2-CE1 4.43Å; Y189-F476 AromaticContact CG-CE1 3.9Å; Y189-F476 HydrophobicContact CG-CE1 3.9Å; Y189-F476 HydrophobicContact CG-CZ 4.42Å; Y189-T480 WeakPolarHBondContact OH-CG2 3.42Å; Y189-T480 PolarHBondContact OH-OG1 3.04Å; Y189-I489 PolarHBondContact OH-O 3.33Å; Y189-I489 VanDerWaalsContact OH-O 3.13Å; Y189-C490 HydrophobicContact CD1-CB 3.66Å; Y189-C490 HydrophobicContact CD2-CB 4.26Å; Y189-C490 HydrophobicContact CE1-CB 3.72Å; Y189-C490 HydrophobicContact CE2-CB 4.28Å; Y189-C490 HydrophobicContact CG-CB 3.96Å; Y189-C490 PolarHBondContact OH-N 2.87Å
190	M	97.3	Very high	94.5	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.01	8%	0.08	C	C	.	.	H	α-helix	trans	-59.3	-41.4	176.8	-69.1	-62.1	-65.2	0	0	112.6	F186 K187 M193 I194 L199 K219 F222 E223 F227	F186-M190 WeakPolarHBondContact O-CG 3.37Å; F186-M190 PolarHBondContact O-N 2.76Å; K187-M190 PolarHBondContact O-N 3.03Å; M190-M193 HydrophobicContact CG-CE 4.37Å; M190-M193 HydrophobicContact SD-CE 3.49Å; M190-M193 WeakPolarHBondContact SD-CE 3.4Å; M190-I194 VanDerWaalsContact O-CG1 3.32Å; M190-I194 WeakPolarHBondContact O-CG1 3.3Å; M190-I194 PolarHBondContact O-N 3.41Å; M190-I194 VanDerWaalsContact O-N 3.09Å; M190-L199 HydrophobicContact CE-CD1 3.65Å; M190-L199 HydrophobicContact SD-CD1 4.25Å; M190-K219 HydrophobicContact CE-CG 4.49Å; M190-F222 HydrophobicContact CE-CB 4.14Å; M190-F222 HydrophobicContact CE-CD2 4.18Å; M190-E223 HydrophobicContact SD-CG 4.4Å; M190-F227 HydrophobicContact CG-CE2 3.9Å; M190-F227 HydrophobicContact CG-CZ 4.24Å; M190-F227 HydrophobicContact SD-CE2 3.84Å; M190-F227 HydrophobicContact SD-CZ 4.21Å
191	V	97.4	Very high	94.5	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.5	-44.5	176.6	171.4	0	0	0	0	111.4	K187 Y189 I194 N195 L309 R312 F314	K187-V191 VanDerWaalsContact O-CG2 3.3Å; K187-V191 WeakPolarHBondContact O-CG2 3.07Å; K187-V191 PolarHBondContact O-N 3.39Å; Y189-V191 VanDerWaalsContact C-N 3.33Å; Y189-V191 PolarHBondContact O-N 3.33Å; V191-I194 PolarHBondContact O-N 2.99Å; V191-N195 WeakPolarHBondContact O-CB 3.17Å; V191-N195 PolarHBondContact O-N 3.1Å; V191-L309 HydrophobicContact CG2-CD2 4.44Å; V191-R312 WeakPolarHBondContact CG1-O 3.48Å; V191-R312 HydrophobicContact CG2-CB 4.14Å; V191-R312 HydrophobicContact CG2-CG 4.11Å; V191-F314 HydrophobicContact CB-CD1 4.47Å; V191-F314 HydrophobicContact CB-CE1 4.11Å; V191-F314 HydrophobicContact CG1-CD1 4.04Å; V191-F314 HydrophobicContact CG1-CE1 3.67Å; V191-F314 HydrophobicContact CG1-CZ 4.16Å
192	A	96.7	Very high	94.5	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.008	10%	0.095	C	C	.	.	H	α-helix	trans	-65.8	-43.8	177.5	0	0	0	0	0	112.4	N188 Y189 I194 N195 K196 F314 F475 F492	N188-A192 WeakPolarHBondContact O-CB 3.17Å; N188-A192 PolarHBondContact O-N 3.01Å; Y189-A192 PolarHBondContact O-N 2.86Å; A192-I194 VanDerWaalsContact C-N 3.31Å; A192-I194 PolarHBondContact O-N 3.22Å; A192-N195 PolarHBondContact O-N 2.86Å; A192-K196 WeakPolarHBondContact O-CB 3.45Å; A192-K196 PolarHBondContact O-N 2.75Å; A192-F314 HydrophobicContact CB-CE1 3.91Å; A192-F314 HydrophobicContact CB-CZ 4.12Å; A192-F475 HydrophobicContact CB-CE2 4.14Å; A192-F475 HydrophobicContact CB-CZ 3.8Å; A192-F492 HydrophobicContact CB-CD2 3.7Å; A192-F492 HydrophobicContact CB-CE2 4.24Å; A192-F492 HydrophobicContact CB-CG 4.4Å
193	M	96.5	Very high	94.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-66.4	-30.1	178.8	-67.6	-177.8	-60.7	0	0	113.2	Y189 M190 S197 L198 L199 L226 F227 F475 F476	Y189-M193 WeakPolarHBondContact O-CG 3.41Å; Y189-M193 PolarHBondContact O-N 3.48Å; M190-M193 HydrophobicContact CG-CE 4.37Å; M190-M193 HydrophobicContact SD-CE 3.49Å; M190-M193 WeakPolarHBondContact SD-CE 3.4Å; M193-S197 PolarHBondContact O-N 3.5Å; M193-L198 HydrophobicContact CB-CB 4.26Å; M193-L198 HydrophobicContact CG-CD1 4.23Å; M193-L198 PolarHBondContact O-N 3.46Å; M193-L199 HydrophobicContact CB-CD1 4.18Å; M193-L199 HydrophobicContact CB-CG 4.05Å; M193-L199 HydrophobicContact CE-CD1 4.32Å; M193-L226 HydrophobicContact CE-CD1 3.63Å; M193-L226 HydrophobicContact SD-CD1 3.86Å; M193-F227 HydrophobicContact CE-CZ 4.11Å; M193-F475 HydrophobicContact CG-CD1 3.92Å; M193-F475 HydrophobicContact CG-CE1 3.38Å; M193-F475 HydrophobicContact CG-CE2 4.32Å; M193-F475 HydrophobicContact CG-CZ 3.63Å; M193-F475 HydrophobicContact SD-CD1 4.32Å; M193-F475 HydrophobicContact SD-CE1 4.02Å; M193-F476 HydrophobicContact SD-CE2 4.07Å; M193-F476 HydrophobicContact SD-CZ 4.26Å
194	I	95.9	Very high	94.4	Very high	6 Å²	6	27 Å²	27	3%	0.031	14%	0.135	C	C	.	.	H	α-helix	trans	-73.4	-44.4	171	-68.7	-69.6	0	0	0	110.9	M190 V191 A192 K196 S197 L199 V201 L214 Y306 L309	M190-I194 VanDerWaalsContact O-CG1 3.32Å; M190-I194 WeakPolarHBondContact O-CG1 3.3Å; M190-I194 PolarHBondContact O-N 3.41Å; M190-I194 VanDerWaalsContact O-N 3.09Å; V191-I194 PolarHBondContact O-N 2.99Å; A192-I194 VanDerWaalsContact C-N 3.31Å; A192-I194 PolarHBondContact O-N 3.22Å; I194-K196 VanDerWaalsContact C-N 3.27Å; I194-K196 PolarHBondContact O-N 2.86Å; I194-S197 PolarHBondContact O-N 3.48Å; I194-S197 VanDerWaalsContact O-N 3.1Å; I194-L199 HydrophobicContact CD1-CB 4.15Å; I194-L199 HydrophobicContact CD1-CD1 3.96Å; I194-L199 HydrophobicContact CG1-CD1 4.22Å; I194-V201 HydrophobicContact CD1-CG1 3.94Å; I194-V201 HydrophobicContact CD1-CG2 4.25Å; I194-L214 HydrophobicContact CD1-CD2 4.49Å; I194-Y306 HydrophobicContact CG2-CD2 4.31Å; I194-Y306 HydrophobicContact CG2-CE2 3.92Å; I194-L309 HydrophobicContact CG1-CB 4.25Å; I194-L309 HydrophobicContact CG1-CD1 4.06Å; I194-L309 HydrophobicContact CG2-CB 4.49Å
195	N	94.8	Very high	94	Very high	12 Å²	12	30.4 Å²	30.4	6%	0.064	15%	0.152	C	C	.	.	H	α-helix	trans	-62.8	-32.1	177.6	-179.9	-116.5	0	0	0	112.9	V191 A192 E520 K523	V191-N195 WeakPolarHBondContact O-CB 3.17Å; V191-N195 PolarHBondContact O-N 3.1Å; A192-N195 PolarHBondContact O-N 2.86Å; N195-E520 PolarHBondContact ND2-O 3.4Å; N195-E520 WeakPolarHBondContact O-CG 3.05Å; N195-E520 PolarHBondContact OD1-N 2.84Å; N195-E520 VanDerWaalsContact OD1-N 3.11Å; N195-K523 HydrophobicContact CB-CD 4.19Å
196	K	94.4	Very high	93.4	Very high	35 Å²	35	35.9 Å²	35.9	15%	0.152	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	10.4	174.1	-74	-69.4	-175.1	-175.6	0	114.6	A192 I194 L198 V515 Y516 Q518 E520	A192-K196 WeakPolarHBondContact O-CB 3.45Å; A192-K196 PolarHBondContact O-N 2.75Å; I194-K196 VanDerWaalsContact C-N 3.27Å; I194-K196 PolarHBondContact O-N 2.86Å; K196-L198 HydrophobicContact CB-CD1 4.21Å; K196-L198 HydrophobicContact CB-CG 4.05Å; K196-L198 PolarHBondContact O-N 3.48Å; K196-V515 PolarHBondContact NZ-O 3.23Å; K196-V515 VanDerWaalsContact NZ-O 3.16Å; K196-Y516 VanDerWaalsContact CE-O 3.3Å; K196-Y516 WeakPolarHBondContact CE-O 3.42Å; K196-Y516 PolarHBondContact NZ-O 3.36Å; K196-Q518 WeakPolarHBondContact CE-O 3.22Å; K196-Q518 PolarHBondContact NZ-O 3.05Å; K196-E520 WeakPolarHBondContact CE-OE1 3.37Å; K196-E520 IonicContact NZ-OE1 3.29Å; K196-E520 PolarHBondContact NZ-OE1 3.38Å
197	S	93.6	Very high	92.9	Very high	70 Å²	70	41.6 Å²	41.6	49%	0.49	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	29	177.5	-58.9	0	0	0	0	115.3	M193 I194 K468	M193-S197 PolarHBondContact O-N 3.5Å; I194-S197 PolarHBondContact O-N 3.48Å; I194-S197 VanDerWaalsContact O-N 3.1Å; S197-K468 PolarHBondContact O-NZ 3.11Å
198	L	93.9	Very high	92	Very high	15 Å²	15	45 Å²	45	8%	0.079	24%	0.242	C	C	.	.			trans	-78.2	-28.4	-179.3	-67	175.2	0	0	0	112.5	M193 K196 K468 E471 F475	M193-L198 HydrophobicContact CB-CB 4.26Å; M193-L198 HydrophobicContact CG-CD1 4.23Å; M193-L198 PolarHBondContact O-N 3.46Å; K196-L198 HydrophobicContact CB-CD1 4.21Å; K196-L198 HydrophobicContact CB-CG 4.05Å; K196-L198 PolarHBondContact O-N 3.48Å; L198-K468 WeakPolarHBondContact O-CD 3.47Å; L198-E471 HydrophobicContact CD2-CB 4Å; L198-F475 HydrophobicContact CD1-CB 3.64Å; L198-F475 HydrophobicContact CD1-CD1 4.17Å; L198-F475 HydrophobicContact CD1-CD2 3.27Å; L198-F475 HydrophobicContact CD1-CE2 3.94Å; L198-F475 HydrophobicContact CD1-CG 3.42Å; L198-F475 VanDerWaalsContact CD1-CG 3.42Å
199	L	94.6	Very high	91.5	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.026	26%	0.261	C	S	.	.	S	Bend	trans	-88.5	130.4	175.1	-63.8	175.3	0	0	0	110	M190 M193 I194 V201 F222 L465	M190-L199 HydrophobicContact CE-CD1 3.65Å; M190-L199 HydrophobicContact SD-CD1 4.25Å; M193-L199 HydrophobicContact CB-CD1 4.18Å; M193-L199 HydrophobicContact CB-CG 4.05Å; M193-L199 HydrophobicContact CE-CD1 4.32Å; I194-L199 HydrophobicContact CD1-CB 4.15Å; I194-L199 HydrophobicContact CD1-CD1 3.96Å; I194-L199 HydrophobicContact CG1-CD1 4.22Å; L199-V201 VanDerWaalsContact C-N 3.3Å; L199-V201 HydrophobicContact CB-CG1 4.26Å; L199-V201 PolarHBondContact O-N 2.86Å; L199-F222 HydrophobicContact CB-CE2 4.11Å; L199-F222 HydrophobicContact CB-CZ 4.4Å; L199-F222 HydrophobicContact CD1-CD2 3.86Å; L199-F222 HydrophobicContact CD1-CE2 4.08Å; L199-F222 HydrophobicContact CD2-CD1 4.34Å; L199-F222 HydrophobicContact CD2-CD2 4.15Å; L199-F222 HydrophobicContact CD2-CE1 4.44Å; L199-F222 HydrophobicContact CD2-CE2 4.23Å; L199-F222 HydrophobicContact CD2-CG 4.2Å; L199-F222 HydrophobicContact CD2-CZ 4.37Å; L199-F222 HydrophobicContact CG-CD2 4.45Å; L199-F222 HydrophobicContact CG-CE2 4.37Å; L199-L465 HydrophobicContact CD2-CD1 4.07Å
200	P	92.4	Very high	91	Very high	14 Å²	14	50.8 Å²	50.8	9%	0.091	28%	0.283	C	S	.	.			trans	-76.7	81	179.7	32.3	-35	0	0	0	110.5	I460 L464 L465	P200-I460 HydrophobicContact CG-CG2 4.06Å; P200-L464 HydrophobicContact CB-CB 3.64Å; P200-L464 HydrophobicContact CB-CD1 4.3Å; P200-L464 HydrophobicContact CG-CB 3.82Å; P200-L465 HydrophobicContact CG-CB 4.07Å; P200-L465 HydrophobicContact CG-CD1 4.19Å
201	V	93.1	Very high	90.7	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.024	29%	0.294	C	S	.	.			trans	-102.3	-19.8	176	-60.4	0	0	0	0	113	I194 L199 V212 F213 L214 F222 Y306	I194-V201 HydrophobicContact CD1-CG1 3.94Å; I194-V201 HydrophobicContact CD1-CG2 4.25Å; L199-V201 VanDerWaalsContact C-N 3.3Å; L199-V201 HydrophobicContact CB-CG1 4.26Å; L199-V201 PolarHBondContact O-N 2.86Å; V201-V212 HydrophobicContact CB-CG1 4.46Å; V201-V212 HydrophobicContact CG2-CG1 4.48Å; V201-V212 CarbonylContact O-C 3.31Å; V201-V212 WeakPolarHBondContact O-CA 3.46Å; V201-F213 PolarHBondContact O-N 3.41Å; V201-L214 HydrophobicContact CG1-CB 4.24Å; V201-L214 HydrophobicContact CG1-CD1 4.04Å; V201-L214 HydrophobicContact CG1-CD2 4.46Å; V201-L214 HydrophobicContact CG1-CG 4.47Å; V201-F222 HydrophobicContact CG1-CE2 4.35Å; V201-Y306 HydrophobicContact CG2-CD2 4Å; V201-Y306 HydrophobicContact CG2-CE2 3.9Å
202	H	92.3	Very high	90.6	Very high	71 Å²	71	53.2 Å²	53.2	33%	0.329	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	123.8	173.8	-64.7	-85.3	0	0	0	109.6	Y306	H202-Y306 AromaticContact NE2-CZ 3.99Å
203	L	90.3	Very high	90.5	Very high	26 Å²	26	53.8 Å²	53.8	14%	0.136	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	126.1	179.2	-57.1	-178.5	0	0	0	109.2	V211 F213 I460 L464	L203-V211 PolarHBondContact N-O 2.92Å; L203-V211 PolarHBondContact O-N 3.29Å; L203-F213 HydrophobicContact CD1-CB 3.59Å; L203-F213 HydrophobicContact CD1-CG 4.19Å; L203-F213 HydrophobicContact CG-CB 4.21Å; L203-I460 HydrophobicContact CD1-CD1 4.19Å; L203-I460 HydrophobicContact CD2-CD1 4.5Å; L203-I460 HydrophobicContact CD2-CG1 4.41Å; L203-L464 HydrophobicContact CD2-CD1 3.45Å; L203-L464 VanDerWaalsContact CD2-CD1 3.45Å
204	Q	87.9	Confident	90.5	Very high	176 Å²	176	54.1 Å²	54.1	82%	0.822	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	110.8	171.6	-67.1	179.5	-7.5	0	0	108.8
205	L	86.6	Confident	90.5	Very high	72 Å²	72	53.8 Å²	53.8	38%	0.377	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	134.1	177.8	-63.4	178.9	0	0	0	109.7	L207 L208 G209 V211	L205-L207 PolarHBondContact O-N 2.87Å; L205-L208 HydrophobicContact CB-CB 4.23Å; L205-L208 HydrophobicContact CD1-CB 4.37Å; L205-L208 HydrophobicContact CD1-CD1 4.23Å; L205-L208 PolarHBondContact O-N 2.91Å; L205-G209 PolarHBondContact N-O 3.39Å; L205-G209 PolarHBondContact O-N 3.41Å; L205-V211 HydrophobicContact CD1-CB 4.39Å; L205-V211 HydrophobicContact CD1-CG2 4.09Å
206	P	81.6	Confident	90.5	Very high	135 Å²	135	57.5 Å²	57.5	88%	0.877	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-16.1	-171.2	25	-35.1	0	0	0	114.7
207	L	81.4	Confident	90.5	Very high	166 Å²	166	57 Å²	57	87%	0.869	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	-22.8	179.9	-64.1	173.3	0	0	0	114.2	L205	L205-L207 PolarHBondContact O-N 2.87Å
208	L	77.8	Confident	90.7	Very high	132 Å²	132	53.7 Å²	53.7	69%	0.691	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	-3.3	-176.8	-69.2	105.5	0	0	0	113.7	L205 V211	L205-L208 HydrophobicContact CB-CB 4.23Å; L205-L208 HydrophobicContact CD1-CB 4.37Å; L205-L208 HydrophobicContact CD1-CD1 4.23Å; L205-L208 PolarHBondContact O-N 2.91Å; L208-V211 HydrophobicContact CB-CG2 3.83Å
209	G	85.8	Confident	90.8	Very high	40 Å²	40	54.6 Å²	54.6	41%	0.412	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	72.2	-143.7	-177.3	0	0	0	0	0	112.5	L205 V211	L205-G209 PolarHBondContact N-O 3.39Å; L205-G209 PolarHBondContact O-N 3.41Å; G209-V211 PolarHBondContact O-N 2.82Å
210	N	87.4	Confident	90.9	Very high	84 Å²	84	60.2 Å²	60.2	45%	0.449	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	107.7	-179.2	-173.1	10.8	0	0	0	110.8	Q438	N210-Q438 PolarHBondContact O-NE2 2.89Å
211	V	90.4	Very high	91	Very high	41 Å²	41	59.9 Å²	59.9	25%	0.248	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	137.7	-179.9	-179.4	0	0	0	0	109.8	L203 L205 L208 G209	L203-V211 PolarHBondContact N-O 2.92Å; L203-V211 PolarHBondContact O-N 3.29Å; L205-V211 HydrophobicContact CD1-CB 4.39Å; L205-V211 HydrophobicContact CD1-CG2 4.09Å; L208-V211 HydrophobicContact CB-CG2 3.83Å; G209-V211 PolarHBondContact O-N 2.82Å
212	V	94.2	Very high	91.2	Very high	12 Å²	12	59.7 Å²	59.7	7%	0.073	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	115.4	174.7	179.9	0	0	0	0	110	V201 Y306 Q438	V201-V212 HydrophobicContact CB-CG1 4.46Å; V201-V212 HydrophobicContact CG2-CG1 4.48Å; V201-V212 CarbonylContact O-C 3.31Å; V201-V212 WeakPolarHBondContact O-CA 3.46Å; V212-Y306 HydrophobicContact CG1-CD1 3.79Å; V212-Y306 HydrophobicContact CG1-CD2 3.72Å; V212-Y306 HydrophobicContact CG1-CE1 4.32Å; V212-Y306 HydrophobicContact CG1-CE2 4.27Å; V212-Y306 HydrophobicContact CG1-CG 3.45Å; V212-Y306 VanDerWaalsContact CG1-CG 3.45Å; V212-Y306 HydrophobicContact CG2-CE1 4.46Å; V212-Q438 HydrophobicContact CB-CB 4.5Å; V212-Q438 HydrophobicContact CG2-CB 4.11Å; V212-Q438 HydrophobicContact CG2-CG 3.98Å; V212-Q438 VanDerWaalsContact CG2-OE1 3.26Å
213	F	95.4	Very high	91.3	Very high	13 Å²	13	58.1 Å²	58.1	6%	0.057	31%	0.313	C	S	.	.			trans	-112.8	100.9	179	-165.3	-93	0	0	0	110.8	V201 L203 T215 L218 E449 V456 I460	V201-F213 PolarHBondContact O-N 3.41Å; L203-F213 HydrophobicContact CD1-CB 3.59Å; L203-F213 HydrophobicContact CD1-CG 4.19Å; L203-F213 HydrophobicContact CG-CB 4.21Å; F213-T215 HydrophobicContact CD1-CG2 4.35Å; F213-T215 HydrophobicContact CE1-CG2 3.68Å; F213-T215 HydrophobicContact CE2-CG2 4.03Å; F213-T215 HydrophobicContact CZ-CG2 3.5Å; F213-T215 VanDerWaalsContact CZ-CG2 3.5Å; F213-L218 HydrophobicContact CD1-CD2 4.32Å; F213-L218 WeakPolarHBondContact O-CD2 3.45Å; F213-E449 HydrophobicContact CD2-CG 4.37Å; F213-E449 HydrophobicContact CE2-CB 4.21Å; F213-E449 HydrophobicContact CE2-CG 4.25Å; F213-V456 HydrophobicContact CD1-CG1 4.1Å; F213-V456 HydrophobicContact CE1-CB 3.9Å; F213-V456 HydrophobicContact CE1-CG1 3.82Å; F213-V456 HydrophobicContact CZ-CB 3.83Å; F213-V456 HydrophobicContact CZ-CG1 4.06Å; F213-V456 HydrophobicContact CZ-CG2 4.23Å; F213-I460 HydrophobicContact CD1-CD1 3.51Å; F213-I460 HydrophobicContact CE1-CD1 4.09Å; F213-I460 HydrophobicContact CG-CD1 4.36Å
214	L	96.6	Very high	91.5	Very high	7 Å²	7	58.4 Å²	58.4	4%	0.037	31%	0.314	C	S	.	.			trans	-137.9	94.2	171.7	-175.5	63.4	0	0	0	111	I194 V201 L218 K219 F222 L305 L309	I194-L214 HydrophobicContact CD1-CD2 4.49Å; V201-L214 HydrophobicContact CG1-CB 4.24Å; V201-L214 HydrophobicContact CG1-CD1 4.04Å; V201-L214 HydrophobicContact CG1-CD2 4.46Å; V201-L214 HydrophobicContact CG1-CG 4.47Å; L214-L218 HydrophobicContact CD1-CD2 4.17Å; L214-L218 HydrophobicContact CD1-CG 4.35Å; L214-K219 HydrophobicContact CD1-CB 4.25Å; L214-F222 HydrophobicContact CD1-CD2 4.32Å; L214-F222 HydrophobicContact CD1-CE2 3.96Å; L214-L305 HydrophobicContact CD2-CG 4.3Å; L214-L305 HydrophobicContact CG-CD2 4.24Å; L214-L305 HydrophobicContact CG-CG 4.27Å; L214-L305 WeakPolarHBondContact O-CB 3.34Å; L214-L309 HydrophobicContact CD2-CD1 3.82Å
215	T	96.4	Very high	91.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.275	C	S	.	.			trans	-90.2	167.1	177	60.8	0	0	0	0	111.8	F213 G217 L218 K219 L305 E449 S453	F213-T215 HydrophobicContact CD1-CG2 4.35Å; F213-T215 HydrophobicContact CE1-CG2 3.68Å; F213-T215 HydrophobicContact CE2-CG2 4.03Å; F213-T215 HydrophobicContact CZ-CG2 3.5Å; F213-T215 VanDerWaalsContact CZ-CG2 3.5Å; T215-G217 PolarHBondContact O-N 2.72Å; T215-L218 PolarHBondContact O-N 2.72Å; T215-L218 WeakPolarHBondContact OG1-CB 3.23Å; T215-L218 PolarHBondContact OG1-N 3.46Å; T215-L218 VanDerWaalsContact OG1-N 3.12Å; T215-K219 WeakPolarHBondContact O-CB 3.32Å; T215-K219 PolarHBondContact O-N 3.02Å; T215-L305 VanDerWaalsContact C-CD2 3.47Å; T215-L305 WeakPolarHBondContact O-CD2 3.37Å; T215-E449 HydrophobicContact CG2-CB 4.08Å; T215-E449 WeakPolarHBondContact CG2-O 3.3Å; T215-S453 WeakPolarHBondContact CB-OG 3.1Å; T215-S453 PolarHBondContact OG1-OG 3.34Å
216	Q	95.1	Very high	92.2	Very high	90 Å²	90	46.8 Å²	46.8	42%	0.421	26%	0.258	S	S	.	.	H	α-helix	trans	-61.2	-36.5	171.7	-63.4	-61	-16.5	0	0	111.7	K219 Y220 L305 E450	Q216-K219 PolarHBondContact O-N 3.01Å; Q216-Y220 VanDerWaalsContact O-CB 3.25Å; Q216-Y220 WeakPolarHBondContact O-CB 3.21Å; Q216-Y220 PolarHBondContact O-N 3.39Å; Q216-L305 HydrophobicContact CG-CD2 4.3Å; Q216-E450 WeakPolarHBondContact CG-OE1 3.4Å; Q216-E450 PolarHBondContact N-OE1 3.19Å; Q216-E450 PolarHBondContact N-OE2 2.94Å
217	G	94.7	Very high	92.7	Very high	25 Å²	25	40.6 Å²	40.6	26%	0.258	22%	0.217	S	C	.	.	H	α-helix	trans	-62.8	-45.9	176.7	0	0	0	0	0	113.4	T215 N221	T215-G217 PolarHBondContact O-N 2.72Å; G217-N221 PolarHBondContact O-N 3.41Å; G217-N221 VanDerWaalsContact O-N 3.15Å; G217-N221 PolarHBondContact O-ND2 2.83Å
218	L	96.4	Very high	92.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.9	-44.7	176.3	-178.3	62.8	0	0	0	111.3	F213 L214 T215 Y220 N221 F222 T457 I460 L461	F213-L218 HydrophobicContact CD1-CD2 4.32Å; F213-L218 WeakPolarHBondContact O-CD2 3.45Å; L214-L218 HydrophobicContact CD1-CD2 4.17Å; L214-L218 HydrophobicContact CD1-CG 4.35Å; T215-L218 PolarHBondContact O-N 2.72Å; T215-L218 WeakPolarHBondContact OG1-CB 3.23Å; T215-L218 PolarHBondContact OG1-N 3.46Å; T215-L218 VanDerWaalsContact OG1-N 3.12Å; L218-Y220 VanDerWaalsContact C-N 3.35Å; L218-Y220 PolarHBondContact O-N 2.94Å; L218-N221 PolarHBondContact O-N 3.49Å; L218-F222 HydrophobicContact CD1-CD1 4.34Å; L218-F222 HydrophobicContact CD1-CE1 3.66Å; L218-F222 HydrophobicContact CD1-CE2 4.24Å; L218-F222 HydrophobicContact CD1-CZ 3.61Å; L218-F222 HydrophobicContact CD2-CE2 4.03Å; L218-F222 HydrophobicContact CD2-CZ 3.84Å; L218-F222 HydrophobicContact CG-CD2 4.35Å; L218-F222 HydrophobicContact CG-CE1 4.09Å; L218-F222 HydrophobicContact CG-CE2 3.73Å; L218-F222 HydrophobicContact CG-CZ 3.59Å; L218-F222 WeakPolarHBondContact O-CG 3.48Å; L218-F222 PolarHBondContact O-N 3.45Å; L218-T457 HydrophobicContact CB-CG2 4.5Å; L218-T457 HydrophobicContact CD1-CG2 4.03Å; L218-I460 HydrophobicContact CD1-CB 4.25Å; L218-I460 HydrophobicContact CD1-CG2 3.9Å; L218-I460 HydrophobicContact CD2-CD1 3.87Å; L218-I460 HydrophobicContact CD2-CG2 4.19Å; L218-L461 HydrophobicContact CD1-CD2 4.2Å
219	K	96.7	Very high	93.3	Very high	33 Å²	33	33 Å²	33	14%	0.143	17%	0.171	C	C	.	.	H	α-helix	trans	-59	-43.8	176.5	179.5	-174.6	164.3	-71	0	112.2	M190 L214 T215 Q216 N221 F222 E223 L305	M190-K219 HydrophobicContact CE-CG 4.49Å; L214-K219 HydrophobicContact CD1-CB 4.25Å; T215-K219 WeakPolarHBondContact O-CB 3.32Å; T215-K219 PolarHBondContact O-N 3.02Å; Q216-K219 PolarHBondContact O-N 3.01Å; K219-N221 VanDerWaalsContact C-N 3.32Å; K219-N221 PolarHBondContact O-N 3.34Å; K219-F222 PolarHBondContact O-N 3.4Å; K219-E223 VanDerWaalsContact CE-OE1 3.23Å; K219-E223 WeakPolarHBondContact CE-OE1 3.38Å; K219-E223 IonicContact NZ-OE1 3.56Å; K219-E223 PolarHBondContact NZ-OE1 2.98Å; K219-E223 IonicContact NZ-OE2 3.68Å; K219-E223 PolarHBondContact NZ-OE2 3.46Å; K219-E223 PolarHBondContact O-N 2.91Å; K219-L305 HydrophobicContact CB-CD2 4.06Å; K219-L305 HydrophobicContact CD-CD1 4.03Å; K219-L305 HydrophobicContact CD-CD2 3.89Å; K219-L305 HydrophobicContact CD-CG 4.25Å
220	Y	95.6	Very high	92.9	Very high	124 Å²	124	38 Å²	38	49%	0.486	20%	0.196	S	C	.	.	H	α-helix	trans	-59.6	-43.5	176.2	171.2	-91.8	0	0	0	111.3	Q216 L218 E223 L224 W228	Q216-Y220 VanDerWaalsContact O-CB 3.25Å; Q216-Y220 WeakPolarHBondContact O-CB 3.21Å; Q216-Y220 PolarHBondContact O-N 3.39Å; L218-Y220 VanDerWaalsContact C-N 3.35Å; L218-Y220 PolarHBondContact O-N 2.94Å; Y220-E223 PolarHBondContact O-N 2.73Å; Y220-L224 HydrophobicContact CE1-CD2 4.26Å; Y220-L224 VanDerWaalsContact O-CB 3.29Å; Y220-L224 WeakPolarHBondContact O-CB 3.23Å; Y220-L224 PolarHBondContact O-N 2.99Å; Y220-W228 HydrophobicContact CD2-CZ2 4.08Å; Y220-W228 AromaticContact CE2-CH2 3.65Å; Y220-W228 HydrophobicContact CE2-CH2 3.65Å; Y220-W228 AromaticContact CE2-CZ2 3.51Å; Y220-W228 HydrophobicContact CE2-CZ2 3.51Å; Y220-W228 AromaticContact CZ-CH2 3.72Å; Y220-W228 AromaticContact CZ-CZ2 3.87Å; Y220-W228 WeakPolarHBondContact OH-CH2 3.49Å
221	N	96.3	Very high	92.6	Very high	6 Å²	6	35.3 Å²	35.3	3%	0.032	19%	0.189	C	C	.	.	H	α-helix	trans	-63.9	-42.4	176.1	-84.3	-71.5	0	0	0	112.6	G217 L218 K219 E223 L224 I225 I264 N268 L461	G217-N221 PolarHBondContact O-N 3.41Å; G217-N221 VanDerWaalsContact O-N 3.15Å; G217-N221 PolarHBondContact O-ND2 2.83Å; L218-N221 PolarHBondContact O-N 3.49Å; K219-N221 VanDerWaalsContact C-N 3.32Å; K219-N221 PolarHBondContact O-N 3.34Å; N221-E223 PolarHBondContact O-N 2.95Å; N221-L224 PolarHBondContact O-N 3.24Å; N221-I225 WeakPolarHBondContact O-CB 3.42Å; N221-I225 WeakPolarHBondContact O-CD1 3.35Å; N221-I225 WeakPolarHBondContact O-CG1 3.36Å; N221-I225 PolarHBondContact O-N 3.2Å; N221-I264 WeakPolarHBondContact OD1-CG2 3.38Å; N221-N268 PolarHBondContact ND2-OD1 2.88Å; N221-N268 PolarHBondContact OD1-ND2 3.4Å; N221-N268 PolarHBondContact OD1-OD1 3.41Å; N221-L461 HydrophobicContact CB-CD1 3.92Å; N221-L461 HydrophobicContact CB-CD2 4.3Å
222	F	96.1	Very high	92.6	Very high	1 Å²	1	34.4 Å²	34.4	0%	0.004	18%	0.184	C	C	.	.	H	α-helix	trans	-59	-46.9	172.5	-64.4	-25.9	0	0	0	111.8	M190 L199 V201 L214 L218 K219 L224 I225 L226 L461 L465	M190-F222 HydrophobicContact CE-CB 4.14Å; M190-F222 HydrophobicContact CE-CD2 4.18Å; L199-F222 HydrophobicContact CB-CE2 4.11Å; L199-F222 HydrophobicContact CB-CZ 4.4Å; L199-F222 HydrophobicContact CD1-CD2 3.86Å; L199-F222 HydrophobicContact CD1-CE2 4.08Å; L199-F222 HydrophobicContact CD2-CD1 4.34Å; L199-F222 HydrophobicContact CD2-CD2 4.15Å; L199-F222 HydrophobicContact CD2-CE1 4.44Å; L199-F222 HydrophobicContact CD2-CE2 4.23Å; L199-F222 HydrophobicContact CD2-CG 4.2Å; L199-F222 HydrophobicContact CD2-CZ 4.37Å; L199-F222 HydrophobicContact CG-CD2 4.45Å; L199-F222 HydrophobicContact CG-CE2 4.37Å; V201-F222 HydrophobicContact CG1-CE2 4.35Å; L214-F222 HydrophobicContact CD1-CD2 4.32Å; L214-F222 HydrophobicContact CD1-CE2 3.96Å; L218-F222 HydrophobicContact CD1-CD1 4.34Å; L218-F222 HydrophobicContact CD1-CE1 3.66Å; L218-F222 HydrophobicContact CD1-CE2 4.24Å; L218-F222 HydrophobicContact CD1-CZ 3.61Å; L218-F222 HydrophobicContact CD2-CE2 4.03Å; L218-F222 HydrophobicContact CD2-CZ 3.84Å; L218-F222 HydrophobicContact CG-CD2 4.35Å; L218-F222 HydrophobicContact CG-CE1 4.09Å; L218-F222 HydrophobicContact CG-CE2 3.73Å; L218-F222 HydrophobicContact CG-CZ 3.59Å; L218-F222 WeakPolarHBondContact O-CG 3.48Å; L218-F222 PolarHBondContact O-N 3.45Å; K219-F222 PolarHBondContact O-N 3.4Å; F222-L224 VanDerWaalsContact C-N 3.34Å; F222-L224 PolarHBondContact O-N 2.83Å; F222-I225 PolarHBondContact O-N 3.24Å; F222-L226 WeakPolarHBondContact O-CB 3.47Å; F222-L226 VanDerWaalsContact O-CG 3.26Å; F222-L226 WeakPolarHBondContact O-CG 3.44Å; F222-L226 PolarHBondContact O-N 3.37Å; F222-L461 HydrophobicContact CD1-CD2 4.21Å; F222-L461 HydrophobicContact CE1-CD2 4.06Å; F222-L465 HydrophobicContact CD1-CD1 4.3Å; F222-L465 HydrophobicContact CD1-CD2 3.9Å; F222-L465 HydrophobicContact CE1-CD1 3.9Å; F222-L465 HydrophobicContact CE1-CD2 3.88Å; F222-L465 HydrophobicContact CE1-CG 4.35Å
223	E	94.5	Very high	92.6	Very high	38 Å²	38	33.9 Å²	33.9	18%	0.178	18%	0.181	C	C	.	.	H	α-helix	trans	-63.4	-39.8	178.4	-72.7	175.1	163.2	0	0	111.8	M190 K219 Y220 N221 F227 W228	M190-E223 HydrophobicContact SD-CG 4.4Å; K219-E223 VanDerWaalsContact CE-OE1 3.23Å; K219-E223 WeakPolarHBondContact CE-OE1 3.38Å; K219-E223 IonicContact NZ-OE1 3.56Å; K219-E223 PolarHBondContact NZ-OE1 2.98Å; K219-E223 IonicContact NZ-OE2 3.68Å; K219-E223 PolarHBondContact NZ-OE2 3.46Å; K219-E223 PolarHBondContact O-N 2.91Å; Y220-E223 PolarHBondContact O-N 2.73Å; N221-E223 PolarHBondContact O-N 2.95Å; E223-F227 HydrophobicContact CB-CD2 4.16Å; E223-F227 HydrophobicContact CG-CD2 4.18Å; E223-F227 HydrophobicContact CG-CE2 4.22Å; E223-F227 WeakPolarHBondContact O-CB 3.35Å; E223-F227 PolarHBondContact O-N 3.33Å; E223-W228 VanDerWaalsContact C-NE1 3.3Å; E223-W228 PolarHBondContact O-NE1 2.95Å
224	L	94	Very high	92.3	Very high	31 Å²	31	33.7 Å²	33.7	16%	0.162	18%	0.18	C	C	.	.	I	π-helix	trans	-63.5	-50.1	177	176.9	66.5	0	0	0	111.9	Y220 N221 F222 L226 W228 G229	Y220-L224 HydrophobicContact CE1-CD2 4.26Å; Y220-L224 VanDerWaalsContact O-CB 3.29Å; Y220-L224 WeakPolarHBondContact O-CB 3.23Å; Y220-L224 PolarHBondContact O-N 2.99Å; N221-L224 PolarHBondContact O-N 3.24Å; F222-L224 VanDerWaalsContact C-N 3.34Å; F222-L224 PolarHBondContact O-N 2.83Å; L224-L226 PolarHBondContact O-N 2.96Å; L224-W228 HydrophobicContact CB-CZ2 4.06Å; L224-W228 HydrophobicContact CD1-CD2 4.06Å; L224-W228 HydrophobicContact CD1-CE3 3.9Å; L224-W228 HydrophobicContact CD1-CH2 3.77Å; L224-W228 HydrophobicContact CD1-CZ2 3.9Å; L224-W228 HydrophobicContact CD1-CZ3 3.76Å; L224-G229 VanDerWaalsContact O-CA 3.29Å; L224-G229 WeakPolarHBondContact O-CA 3.34Å; L224-G229 PolarHBondContact O-N 2.98Å
225	I	95.2	Very high	91.7	Very high	2 Å²	2	39 Å²	39	1%	0.01	20%	0.204	C	C	.	.	I	π-helix	trans	-60.6	-45.4	179.2	-69.6	161.2	0	0	0	110.5	N221 F222 S232 L257 I261 I264 L461 L465	N221-I225 WeakPolarHBondContact O-CB 3.42Å; N221-I225 WeakPolarHBondContact O-CD1 3.35Å; N221-I225 WeakPolarHBondContact O-CG1 3.36Å; N221-I225 PolarHBondContact O-N 3.2Å; F222-I225 PolarHBondContact O-N 3.24Å; I225-S232 WeakPolarHBondContact O-CA 3.3Å; I225-L257 HydrophobicContact CG2-CD1 3.91Å; I225-I261 HydrophobicContact CD1-CG1 4.34Å; I225-I261 HydrophobicContact CG2-CG1 3.83Å; I225-I264 HydrophobicContact CD1-CG2 4.16Å; I225-I264 HydrophobicContact CG1-CB 4.36Å; I225-I264 HydrophobicContact CG1-CD1 3.62Å; I225-I264 HydrophobicContact CG1-CG2 4.09Å; I225-L461 HydrophobicContact CD1-CD2 3.79Å; I225-L465 HydrophobicContact CD1-CD2 3.92Å
226	L	94.9	Very high	91	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	22%	0.219	C	C	.	.	I	π-helix	trans	-87.8	-38.8	-167.6	-61.3	175.7	0	0	0	114	M193 F222 L224 L233 I472 F476	M193-L226 HydrophobicContact CE-CD1 3.63Å; M193-L226 HydrophobicContact SD-CD1 3.86Å; F222-L226 WeakPolarHBondContact O-CB 3.47Å; F222-L226 VanDerWaalsContact O-CG 3.26Å; F222-L226 WeakPolarHBondContact O-CG 3.44Å; F222-L226 PolarHBondContact O-N 3.37Å; L224-L226 PolarHBondContact O-N 2.96Å; L226-L233 HydrophobicContact CB-CD1 4.3Å; L226-L233 HydrophobicContact CD2-CD1 3.72Å; L226-L233 WeakPolarHBondContact O-CD1 3.39Å; L226-L233 PolarHBondContact O-N 3.4Å; L226-L233 VanDerWaalsContact O-N 3.09Å; L226-I472 HydrophobicContact CD2-CG2 3.85Å; L226-F476 HydrophobicContact CD2-CE2 4.18Å
227	F	92.3	Very high	90.3	Very high	5 Å²	5	42.3 Å²	42.3	2%	0.022	22%	0.22	C	C	.	.	I	π-helix	trans	-117.1	-33.4	-164.1	-50.5	-57.8	0	0	0	116.5	F186 Y189 M190 M193 E223 F234 F476	F186-F227 HydrophobicContact CB-CD1 4.28Å; F186-F227 HydrophobicContact CB-CD2 3.86Å; F186-F227 HydrophobicContact CB-CE1 4.37Å; F186-F227 HydrophobicContact CB-CE2 3.98Å; F186-F227 HydrophobicContact CB-CG 4.03Å; F186-F227 HydrophobicContact CB-CZ 4.24Å; F186-F227 HydrophobicContact CD1-CB 3.81Å; F186-F227 AromaticContact CD1-CD1 3.3Å; F186-F227 HydrophobicContact CD1-CD1 3.3Å; F186-F227 HydrophobicContact CD1-CD2 4.25Å; F186-F227 AromaticContact CD1-CE1 3.86Å; F186-F227 HydrophobicContact CD1-CE1 3.86Å; F186-F227 AromaticContact CD1-CG 3.52Å; F186-F227 HydrophobicContact CD1-CG 3.52Å; F186-F227 HydrophobicContact CD2-CB 4.27Å; F186-F227 HydrophobicContact CD2-CG 4.48Å; F186-F227 HydrophobicContact CE1-CB 3.89Å; F186-F227 AromaticContact CE1-CD1 3.82Å; F186-F227 HydrophobicContact CE1-CD1 3.82Å; F186-F227 HydrophobicContact CE1-CG 4.06Å; F186-F227 HydrophobicContact CE2-CB 4.33Å; F186-F227 HydrophobicContact CG-CB 4.01Å; F186-F227 AromaticContact CG-CD1 3.99Å; F186-F227 HydrophobicContact CG-CD1 3.99Å; F186-F227 HydrophobicContact CG-CD2 4.1Å; F186-F227 HydrophobicContact CG-CE1 4.48Å; F186-F227 AromaticContact CG-CG 3.77Å; F186-F227 HydrophobicContact CG-CG 3.77Å; F186-F227 HydrophobicContact CZ-CB 4.14Å; Y189-F227 HydrophobicContact CD2-CE1 4.13Å; Y189-F227 HydrophobicContact CG-CE1 4.18Å; M190-F227 HydrophobicContact CG-CE2 3.9Å; M190-F227 HydrophobicContact CG-CZ 4.24Å; M190-F227 HydrophobicContact SD-CE2 3.84Å; M190-F227 HydrophobicContact SD-CZ 4.21Å; M193-F227 HydrophobicContact CE-CZ 4.11Å; E223-F227 HydrophobicContact CB-CD2 4.16Å; E223-F227 HydrophobicContact CG-CD2 4.18Å; E223-F227 HydrophobicContact CG-CE2 4.22Å; E223-F227 WeakPolarHBondContact O-CB 3.35Å; E223-F227 PolarHBondContact O-N 3.33Å; F227-F234 AromaticContact CD1-CD2 3.97Å; F227-F234 HydrophobicContact CD1-CD2 3.97Å; F227-F234 AromaticContact CD1-CE2 3.87Å; F227-F234 HydrophobicContact CD1-CE2 3.87Å; F227-F234 HydrophobicContact CE1-CE2 4.28Å; F227-F476 HydrophobicContact CE1-CE1 4.11Å; F227-F476 AromaticContact CE1-CZ 3.78Å; F227-F476 HydrophobicContact CE1-CZ 3.78Å; F227-F476 HydrophobicContact CZ-CZ 4.44Å
228	W	85.1	Confident	89.7	Confident	129 Å²	129	43.6 Å²	43.6	49%	0.489	22%	0.217	S	C	.	.	I	π-helix	trans	-140.4	-4.1	-166.8	63.8	-85.6	0	0	0	117.1	Y220 E223 L224	Y220-W228 HydrophobicContact CD2-CZ2 4.08Å; Y220-W228 AromaticContact CE2-CH2 3.65Å; Y220-W228 HydrophobicContact CE2-CH2 3.65Å; Y220-W228 AromaticContact CE2-CZ2 3.51Å; Y220-W228 HydrophobicContact CE2-CZ2 3.51Å; Y220-W228 AromaticContact CZ-CH2 3.72Å; Y220-W228 AromaticContact CZ-CZ2 3.87Å; Y220-W228 WeakPolarHBondContact OH-CH2 3.49Å; E223-W228 VanDerWaalsContact C-NE1 3.3Å; E223-W228 PolarHBondContact O-NE1 2.95Å; L224-W228 HydrophobicContact CB-CZ2 4.06Å; L224-W228 HydrophobicContact CD1-CD2 4.06Å; L224-W228 HydrophobicContact CD1-CE3 3.9Å; L224-W228 HydrophobicContact CD1-CH2 3.77Å; L224-W228 HydrophobicContact CD1-CZ2 3.9Å; L224-W228 HydrophobicContact CD1-CZ3 3.76Å
229	G	86.1	Confident	89.4	Confident	9 Å²	9	45.8 Å²	45.8	9%	0.093	23%	0.229	C	C	.	.	S	Bend	trans	-74.3	167.9	172.6	0	0	0	0	0	113.8	L224 G231 S232	L224-G229 VanDerWaalsContact O-CA 3.29Å; L224-G229 WeakPolarHBondContact O-CA 3.34Å; L224-G229 PolarHBondContact O-N 2.98Å; G229-G231 PolarHBondContact O-N 3.03Å; G229-S232 VanDerWaalsContact O-CB 3.28Å; G229-S232 WeakPolarHBondContact O-CB 3.49Å; G229-S232 PolarHBondContact O-N 2.66Å; G229-S232 PolarHBondContact O-OG 2.99Å
230	P	77.6	Confident	89.2	Confident	146 Å²	146	44.3 Å²	44.3	95%	0.948	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-2.8	-174.4	28.2	-36.3	0	0	0	115.2
231	G	81.4	Confident	89	Confident	28 Å²	28	41.4 Å²	41.4	29%	0.289	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.1	16.6	172.9	0	0	0	0	0	114	G229	G229-G231 PolarHBondContact O-N 3.03Å
232	S	90.4	Very high	88.8	Confident	21 Å²	21	44.2 Å²	44.2	15%	0.147	23%	0.232	C	C	.	.			trans	-65.7	168.9	-174	61.5	0	0	0	0	114	I225 G229 F234	I225-S232 WeakPolarHBondContact O-CA 3.3Å; G229-S232 VanDerWaalsContact O-CB 3.28Å; G229-S232 WeakPolarHBondContact O-CB 3.49Å; G229-S232 PolarHBondContact O-N 2.66Å; G229-S232 PolarHBondContact O-OG 2.99Å; S232-F234 VanDerWaalsContact C-N 3.35Å; S232-F234 PolarHBondContact OG-O 3.49Å
233	L	92.9	Very high	88.6	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.005	25%	0.246	C	C	.	.	S	Bend	trans	-77.4	-25.4	-177.1	-66	87.3	0	0	0	112.4	L226 L240 H241 Y244 L257 I473 F476	L226-L233 HydrophobicContact CB-CD1 4.3Å; L226-L233 HydrophobicContact CD2-CD1 3.72Å; L226-L233 WeakPolarHBondContact O-CD1 3.39Å; L226-L233 PolarHBondContact O-N 3.4Å; L226-L233 VanDerWaalsContact O-N 3.09Å; L233-L240 HydrophobicContact CB-CD1 3.76Å; L233-H241 WeakPolarHBondContact O-CB 3.48Å; L233-H241 PolarHBondContact O-N 3.42Å; L233-Y244 VanDerWaalsContact CA-CE2 3.49Å; L233-Y244 HydrophobicContact CB-CD2 4.16Å; L233-Y244 HydrophobicContact CB-CE2 3.89Å; L233-Y244 HydrophobicContact CD2-CD1 4.45Å; L233-Y244 HydrophobicContact CD2-CE1 4.44Å; L233-Y244 HydrophobicContact CG-CE1 4.42Å; L233-Y244 HydrophobicContact CG-CE2 4.19Å; L233-Y244 WeakPolarHBondContact O-CD2 3.12Å; L233-Y244 VanDerWaalsContact O-CE2 3.29Å; L233-Y244 WeakPolarHBondContact O-CE2 3.35Å; L233-L257 HydrophobicContact CD1-CD1 4.29Å; L233-I473 HydrophobicContact CD2-CD1 3.92Å; L233-F476 HydrophobicContact CD2-CB 4Å; L233-F476 HydrophobicContact CD2-CD2 3.53Å; L233-F476 HydrophobicContact CD2-CE2 4.13Å; L233-F476 HydrophobicContact CD2-CG 3.77Å
234	F	90.9	Very high	88.4	Confident	9 Å²	9	45.8 Å²	45.8	4%	0.039	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	122.1	179.7	-77.9	-95.7	0	0	0	110.6	F186 Y189 F227 S232 N239 L240 F476 D488	F186-F234 HydrophobicContact CE1-CD1 4.01Å; F186-F234 HydrophobicContact CE1-CD2 4.04Å; F186-F234 HydrophobicContact CE1-CE1 4.12Å; F186-F234 HydrophobicContact CE1-CE2 4.14Å; F186-F234 AromaticContact CE1-CG 3.98Å; F186-F234 HydrophobicContact CE1-CG 3.98Å; F186-F234 HydrophobicContact CE1-CZ 4.2Å; Y189-F234 HydrophobicContact CD2-CZ 4.35Å; Y189-F234 HydrophobicContact CE2-CE2 4.3Å; Y189-F234 AromaticContact CE2-CZ 3.6Å; Y189-F234 HydrophobicContact CE2-CZ 3.6Å; Y189-F234 AromaticContact CZ-CZ 3.97Å; F227-F234 AromaticContact CD1-CD2 3.97Å; F227-F234 HydrophobicContact CD1-CD2 3.97Å; F227-F234 AromaticContact CD1-CE2 3.87Å; F227-F234 HydrophobicContact CD1-CE2 3.87Å; F227-F234 HydrophobicContact CE1-CE2 4.28Å; S232-F234 VanDerWaalsContact C-N 3.35Å; S232-F234 PolarHBondContact OG-O 3.49Å; F234-N239 WeakPolarHBondContact CA-O 3.32Å; F234-L240 HydrophobicContact CD2-CD1 4.29Å; F234-L240 HydrophobicContact CE1-CB 4.31Å; F234-L240 HydrophobicContact CE2-CD1 4.01Å; F234-L240 HydrophobicContact CZ-CB 4.5Å; F234-L240 HydrophobicContact CZ-CD1 4.22Å; F234-F476 HydrophobicContact CE2-CD1 4.36Å; F234-F476 AromaticContact CE2-CE1 3.88Å; F234-F476 HydrophobicContact CE2-CE1 3.88Å; F234-F476 HydrophobicContact CZ-CE1 4.47Å; F234-D488 HydrophobicContact CE1-CB 4.32Å
235	Q	83.8	Confident	88.2	Confident	119 Å²	119	48.1 Å²	48.1	56%	0.556	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	-44.8	176.5	178.9	-179.2	2.2	0	0	110.6	N239 H241	Q235-N239 PolarHBondContact N-O 3.17Å; Q235-H241 HydrophobicContact CB-CB 4.31Å
236	N	81.3	Confident	88	Confident	59 Å²	59	56.8 Å²	56.8	32%	0.316	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	158.8	171.4	-65.9	-28.9	0	0	0	107.5	W238 N239	N236-W238 HydrophobicContact CB-CD2 3.9Å; N236-W238 HydrophobicContact CB-CE3 3.97Å; N236-W238 HydrophobicContact CB-CH2 3.67Å; N236-W238 HydrophobicContact CB-CZ2 3.62Å; N236-W238 HydrophobicContact CB-CZ3 3.87Å; N236-W238 WeakPolarHBondContact ND2-CZ2 3.49Å; N236-W238 PolarHBondContact O-N 3.18Å; N236-N239 PolarHBondContact O-N 3.44Å; N236-N239 VanDerWaalsContact O-N 3.08Å
237	K	80.5	Confident	87.4	Confident	100 Å²	100	60.8 Å²	60.8	44%	0.435	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-2.7	-180	-65	-179.1	-177.8	-176.4	0	115.8	N13 R185 F186	N13-K237 WeakPolarHBondContact OD1-CD 3.38Å; N13-K237 WeakPolarHBondContact OD1-CE 3.46Å; N13-K237 PolarHBondContact OD1-NZ 3.37Å; R185-K237 PolarHBondContact NH1-O 3.33Å; F186-K237 VanDerWaalsContact CZ-O 3.26Å; F186-K237 WeakPolarHBondContact CZ-O 3.34Å
238	W	82.8	Confident	87	Confident	52 Å²	52	63.8 Å²	63.8	20%	0.197	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128	-12.8	177.7	62.4	94.2	0	0	0	115.8	Q9 R185 N236 D488	Q9-W238 HydrophobicContact CG-CH2 3.79Å; Q9-W238 HydrophobicContact CG-CZ3 4.5Å; R185-W238 VanDerWaalsContact CZ-CA 3.45Å; R185-W238 VanDerWaalsContact CZ-CB 3.49Å; N236-W238 HydrophobicContact CB-CD2 3.9Å; N236-W238 HydrophobicContact CB-CE3 3.97Å; N236-W238 HydrophobicContact CB-CH2 3.67Å; N236-W238 HydrophobicContact CB-CZ2 3.62Å; N236-W238 HydrophobicContact CB-CZ3 3.87Å; N236-W238 WeakPolarHBondContact ND2-CZ2 3.49Å; N236-W238 PolarHBondContact O-N 3.18Å; W238-D488 PolarHBondContact O-N 2.92Å
239	N	89.4	Confident	87.1	Confident	47 Å²	47	62 Å²	62	25%	0.251	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	127	-177.7	-78.3	2.2	0	0	0	111.4	F234 Q235 N236 D488	F234-N239 WeakPolarHBondContact CA-O 3.32Å; Q235-N239 PolarHBondContact N-O 3.17Å; N236-N239 PolarHBondContact O-N 3.44Å; N236-N239 VanDerWaalsContact O-N 3.08Å; N239-D488 WeakPolarHBondContact CA-OD2 3.47Å
240	L	92.7	Very high	87.4	Confident	2 Å²	2	65.9 Å²	65.9	1%	0.01	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	137.6	169.2	-172.7	72.9	0	0	0	108.4	L233 F234 P242 Y244 K245 F476 T480 D488	L233-L240 HydrophobicContact CB-CD1 3.76Å; F234-L240 HydrophobicContact CD2-CD1 4.29Å; F234-L240 HydrophobicContact CE1-CB 4.31Å; F234-L240 HydrophobicContact CE2-CD1 4.01Å; F234-L240 HydrophobicContact CZ-CB 4.5Å; F234-L240 HydrophobicContact CZ-CD1 4.22Å; L240-P242 WeakPolarHBondContact O-CD 3.34Å; L240-Y244 HydrophobicContact CD1-CD2 4.17Å; L240-Y244 HydrophobicContact CG-CD2 4.28Å; L240-K245 HydrophobicContact CD2-CG 4.26Å; L240-F476 HydrophobicContact CD1-CD1 4.23Å; L240-T480 HydrophobicContact CB-CG2 4.47Å; L240-T480 HydrophobicContact CD2-CG2 4.05Å; L240-D488 HydrophobicContact CB-CB 4.22Å; L240-D488 WeakPolarHBondContact CB-OD2 3.41Å; L240-D488 PolarHBondContact N-OD2 3.09Å
241	H	91.4	Very high	88.2	Confident	62 Å²	62	64.1 Å²	64.1	29%	0.287	33%	0.334	S	S	.	.			trans	-62.4	128	-179.1	-164.1	-43.2	0	0	0	110.1	L233 Q235 K243 Y244	L233-H241 WeakPolarHBondContact O-CB 3.48Å; L233-H241 PolarHBondContact O-N 3.42Å; Q235-H241 HydrophobicContact CB-CB 4.31Å; H241-K243 HydrophobicContact CB-CG 4.28Å; H241-K243 VanDerWaalsContact CD2-CE 3.47Å; H241-K243 WeakPolarHBondContact CD2-CE 3.31Å; H241-K243 PolarHBondContact CD2-NZ 2.93Å; H241-K243 PolarHBondContact NE2-NZ 3.49Å; H241-K243 PolarHBondContact O-N 2.92Å; H241-Y244 HydrophobicContact CB-CD2 3.7Å; H241-Y244 HydrophobicContact CB-CE2 3.72Å; H241-Y244 WeakPolarHBondContact O-CD2 3.48Å; H241-Y244 PolarHBondContact O-N 3.18Å
242	P	91.1	Very high	88.8	Confident	66 Å²	66	68.2 Å²	68.2	43%	0.429	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-56.2	-20	-169.6	-31.9	35.9	0	0	0	116.7	L240 Y244 K245	L240-P242 WeakPolarHBondContact O-CD 3.34Å; P242-Y244 VanDerWaalsContact C-N 3.3Å; P242-Y244 PolarHBondContact O-N 3.15Å; P242-K245 PolarHBondContact O-N 3.42Å
243	K	91.3	Very high	89	Confident	65 Å²	65	67.6 Å²	67.6	28%	0.283	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-61.3	-34.7	173.3	67.3	-165.2	176.6	-154.6	0	113.1	H241 K245 R246 L253	H241-K243 HydrophobicContact CB-CG 4.28Å; H241-K243 VanDerWaalsContact CD2-CE 3.47Å; H241-K243 WeakPolarHBondContact CD2-CE 3.31Å; H241-K243 PolarHBondContact CD2-NZ 2.93Å; H241-K243 PolarHBondContact NE2-NZ 3.49Å; H241-K243 PolarHBondContact O-N 2.92Å; K243-K245 VanDerWaalsContact C-N 3.3Å; K243-K245 PolarHBondContact O-N 2.87Å; K243-R246 PolarHBondContact O-N 2.85Å; K243-L253 HydrophobicContact CB-CD1 4.5Å; K243-L253 HydrophobicContact CB-CD2 4.35Å; K243-L253 HydrophobicContact CD-CD2 3.78Å; K243-L253 HydrophobicContact CG-CD1 4.47Å; K243-L253 HydrophobicContact CG-CD2 3.82Å; K243-L253 WeakPolarHBondContact O-CD1 3.35Å
244	Y	91.3	Very high	89.1	Confident	7 Å²	7	67.9 Å²	67.9	3%	0.027	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-76.2	-17.5	178.6	-57.3	-66.2	0	0	0	112.8	L233 L240 H241 P242 R246 L253 I473 R477	L233-Y244 VanDerWaalsContact CA-CE2 3.49Å; L233-Y244 HydrophobicContact CB-CD2 4.16Å; L233-Y244 HydrophobicContact CB-CE2 3.89Å; L233-Y244 HydrophobicContact CD2-CD1 4.45Å; L233-Y244 HydrophobicContact CD2-CE1 4.44Å; L233-Y244 HydrophobicContact CG-CE1 4.42Å; L233-Y244 HydrophobicContact CG-CE2 4.19Å; L233-Y244 WeakPolarHBondContact O-CD2 3.12Å; L233-Y244 VanDerWaalsContact O-CE2 3.29Å; L233-Y244 WeakPolarHBondContact O-CE2 3.35Å; L240-Y244 HydrophobicContact CD1-CD2 4.17Å; L240-Y244 HydrophobicContact CG-CD2 4.28Å; H241-Y244 HydrophobicContact CB-CD2 3.7Å; H241-Y244 HydrophobicContact CB-CE2 3.72Å; H241-Y244 WeakPolarHBondContact O-CD2 3.48Å; H241-Y244 PolarHBondContact O-N 3.18Å; P242-Y244 VanDerWaalsContact C-N 3.3Å; P242-Y244 PolarHBondContact O-N 3.15Å; Y244-R246 VanDerWaalsContact C-N 3.33Å; Y244-L253 HydrophobicContact CD1-CB 4.26Å; Y244-L253 HydrophobicContact CD1-CD1 3.9Å; Y244-L253 HydrophobicContact CD1-CD2 4.12Å; Y244-L253 HydrophobicContact CD1-CG 4.32Å; Y244-L253 HydrophobicContact CE1-CB 4.08Å; Y244-L253 HydrophobicContact CE1-CD1 4.35Å; Y244-L253 HydrophobicContact CE1-CD2 3.76Å; Y244-L253 HydrophobicContact CE1-CG 4.27Å; Y244-I473 HydrophobicContact CD1-CD1 3.78Å; Y244-I473 HydrophobicContact CE1-CD1 3.67Å; Y244-R477 WeakPolarHBondContact O-CB 3.44Å; Y244-R477 WeakPolarHBondContact O-CG 3.27Å
245	K	90.9	Very high	89.3	Confident	79 Å²	79	72.9 Å²	72.9	34%	0.343	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-77.9	-16.2	172.7	-61.7	-174.5	175	179.7	0	112.6	L240 P242 K243 E482 D488	L240-K245 HydrophobicContact CD2-CG 4.26Å; P242-K245 PolarHBondContact O-N 3.42Å; K243-K245 VanDerWaalsContact C-N 3.3Å; K243-K245 PolarHBondContact O-N 2.87Å; K245-E482 IonicContact NZ-OE2 3.74Å; K245-E482 PolarHBondContact NZ-OE2 2.89Å; K245-D488 WeakPolarHBondContact CE-OD1 3.44Å; K245-D488 WeakPolarHBondContact CE-OD2 3.43Å; K245-D488 VanDerWaalsContact NZ-CG 3.29Å; K245-D488 IonicContact NZ-OD1 2.6Å; K245-D488 PolarHBondContact NZ-OD1 3.25Å; K245-D488 IonicContact NZ-OD2 3.1Å; K245-D488 PolarHBondContact NZ-OD2 3.45Å; K245-D488 VanDerWaalsContact NZ-OD2 3.11Å
246	R	89.9	Confident	89.9	Confident	185 Å²	185	72.7 Å²	72.7	70%	0.698	36%	0.364	S	S	*	.			trans	-96.2	147.4	-178.7	-62	-179.9	-176.4	175.1	-0.2	111.1	K243 Y244	K243-R246 PolarHBondContact O-N 2.85Å; Y244-R246 VanDerWaalsContact C-N 3.33Å
247	S	81.8	Confident	90.5	Very high	86 Å²	86	70.1 Å²	70.1	60%	0.601	35%	0.35	S	S	*	.	S	Bend	trans	-80.1	-35.5	-178.8	50.6	0	0	0	0	114.4	N249 R250	S247-N249 PolarHBondContact O-N 2.69Å; S247-R250 PolarHBondContact O-N 2.85Å
248	G	84	Confident	91.3	Very high	68 Å²	68	66.2 Å²	66.2	70%	0.701	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-43.9	-165.7	0	0	0	0	0	115.9	R250	G248-R250 PolarHBondContact O-N 2.79Å
249	N	87.4	Confident	91.9	Very high	91 Å²	91	72.4 Å²	72.4	49%	0.487	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	22.2	-172.5	-62.2	56.1	0	0	0	113.2	S247 L251 E252 L253	S247-N249 PolarHBondContact O-N 2.69Å; N249-L251 VanDerWaalsContact C-N 3.3Å; N249-L251 PolarHBondContact O-N 3.27Å; N249-E252 HydrophobicContact CB-CB 4.45Å; N249-E252 PolarHBondContact ND2-OE2 3.43Å; N249-E252 PolarHBondContact O-N 2.95Å; N249-L253 HydrophobicContact CB-CD1 4.28Å; N249-L253 HydrophobicContact CB-CG 4.3Å; N249-L253 VanDerWaalsContact O-CG 3.28Å; N249-L253 WeakPolarHBondContact O-CG 3.23Å; N249-L253 PolarHBondContact O-N 2.88Å
250	R	92.6	Very high	92.2	Very high	91 Å²	91	71.6 Å²	71.6	34%	0.343	36%	0.355	S	S	.	.	H	α-helix	trans	-55	-40.3	-170.8	77.3	-177.9	-142.9	131.2	4.4	114.1	S247 G248 A254 L470 D474	S247-R250 PolarHBondContact O-N 2.85Å; G248-R250 PolarHBondContact O-N 2.79Å; R250-A254 WeakPolarHBondContact O-CB 2.99Å; R250-A254 PolarHBondContact O-N 3.16Å; R250-L470 HydrophobicContact CG-CD1 4.47Å; R250-D474 IonicContact CZ-OD1 3.63Å; R250-D474 IonicContact CZ-OD2 2.68Å; R250-D474 IonicContact NH1-OD1 2.64Å; R250-D474 PolarHBondContact NH1-OD1 3.28Å; R250-D474 IonicContact NH1-OD2 3.88Å; R250-D474 PolarHBondContact NH1-OD2 3.21Å
251	L	94.1	Very high	92.4	Very high	108 Å²	108	71.5 Å²	71.5	57%	0.565	36%	0.355	S	S	*	.	H	α-helix	trans	-71.4	-42.9	-179	-66.1	175.4	0	0	0	111.9	N249 L253 A254 Q255 L470	N249-L251 VanDerWaalsContact C-N 3.3Å; N249-L251 PolarHBondContact O-N 3.27Å; L251-L253 VanDerWaalsContact C-N 3.34Å; L251-L253 PolarHBondContact O-N 3.25Å; L251-A254 PolarHBondContact O-N 3.34Å; L251-Q255 WeakPolarHBondContact O-CG 3.26Å; L251-Q255 PolarHBondContact O-N 3.26Å; L251-L470 HydrophobicContact CD2-CD1 4.1Å; L251-L470 HydrophobicContact CD2-CD2 4.26Å
252	E	94.4	Very high	92.6	Very high	115 Å²	115	71 Å²	71	54%	0.537	35%	0.354	S	S	.	.	H	α-helix	trans	-61.4	-43.4	175.4	-170	-157.2	160.5	0	0	111.2	N249 Q255 K256	N249-E252 HydrophobicContact CB-CB 4.45Å; N249-E252 PolarHBondContact ND2-OE2 3.43Å; N249-E252 PolarHBondContact O-N 2.95Å; E252-Q255 PolarHBondContact O-N 3.02Å; E252-K256 WeakPolarHBondContact O-CB 3.2Å; E252-K256 PolarHBondContact O-N 2.7Å
253	L	94.8	Very high	92.9	Very high	8 Å²	8	73.6 Å²	73.6	4%	0.042	36%	0.364	C	S	.	.	H	α-helix	trans	-65.7	-39.8	176.8	-65.9	170.4	0	0	0	111.8	K243 Y244 N249 L251 K256 L257 I473	K243-L253 HydrophobicContact CB-CD1 4.5Å; K243-L253 HydrophobicContact CB-CD2 4.35Å; K243-L253 HydrophobicContact CD-CD2 3.78Å; K243-L253 HydrophobicContact CG-CD1 4.47Å; K243-L253 HydrophobicContact CG-CD2 3.82Å; K243-L253 WeakPolarHBondContact O-CD1 3.35Å; Y244-L253 HydrophobicContact CD1-CB 4.26Å; Y244-L253 HydrophobicContact CD1-CD1 3.9Å; Y244-L253 HydrophobicContact CD1-CD2 4.12Å; Y244-L253 HydrophobicContact CD1-CG 4.32Å; Y244-L253 HydrophobicContact CE1-CB 4.08Å; Y244-L253 HydrophobicContact CE1-CD1 4.35Å; Y244-L253 HydrophobicContact CE1-CD2 3.76Å; Y244-L253 HydrophobicContact CE1-CG 4.27Å; N249-L253 HydrophobicContact CB-CD1 4.28Å; N249-L253 HydrophobicContact CB-CG 4.3Å; N249-L253 VanDerWaalsContact O-CG 3.28Å; N249-L253 WeakPolarHBondContact O-CG 3.23Å; N249-L253 PolarHBondContact O-N 2.88Å; L251-L253 VanDerWaalsContact C-N 3.34Å; L251-L253 PolarHBondContact O-N 3.25Å; L253-K256 PolarHBondContact O-N 2.76Å; L253-L257 PolarHBondContact O-N 3.36Å; L253-I473 HydrophobicContact CB-CD1 4.42Å; L253-I473 HydrophobicContact CB-CG2 4.28Å
254	A	95.5	Very high	93.1	Very high	6 Å²	6	71.8 Å²	71.8	5%	0.05	36%	0.357	C	S	.	.	H	α-helix	trans	-65.3	-43.7	174	0	0	0	0	0	111.9	R250 L251 K256 L257 S258 S469 L470 I473	R250-A254 WeakPolarHBondContact O-CB 2.99Å; R250-A254 PolarHBondContact O-N 3.16Å; L251-A254 PolarHBondContact O-N 3.34Å; A254-K256 VanDerWaalsContact C-N 3.33Å; A254-K256 PolarHBondContact O-N 2.87Å; A254-L257 PolarHBondContact O-N 3.33Å; A254-S258 VanDerWaalsContact O-CB 3.32Å; A254-S258 WeakPolarHBondContact O-CB 3.3Å; A254-S258 PolarHBondContact O-N 3Å; A254-S469 PolarHBondContact O-OG 3.31Å; A254-L470 HydrophobicContact CB-CB 4.16Å; A254-L470 HydrophobicContact CB-CD1 3.9Å; A254-I473 HydrophobicContact CB-CG1 4.24Å
255	Q	95.3	Very high	93.3	Very high	115 Å²	115	71.5 Å²	71.5	54%	0.537	36%	0.356	S	S	.	.	H	α-helix	trans	-61.1	-40.3	173.6	-73.4	177.4	2.6	0	0	111.9	L251 E252 S258 R259	L251-Q255 WeakPolarHBondContact O-CG 3.26Å; L251-Q255 PolarHBondContact O-N 3.26Å; E252-Q255 PolarHBondContact O-N 3.02Å; Q255-S258 WeakPolarHBondContact O-CB 3.25Å; Q255-S258 PolarHBondContact O-N 3.25Å; Q255-R259 WeakPolarHBondContact O-CG 3.39Å; Q255-R259 PolarHBondContact O-N 3.23Å
256	K	94.6	Very high	93.7	Very high	115 Å²	115	71.9 Å²	71.9	50%	0.5	36%	0.361	S	S	.	.	H	α-helix	trans	-63.2	-45.1	174.8	-177.5	164.9	-178	153.9	0	111.9	E252 L253 A254 R259 V260	E252-K256 WeakPolarHBondContact O-CB 3.2Å; E252-K256 PolarHBondContact O-N 2.7Å; L253-K256 PolarHBondContact O-N 2.76Å; A254-K256 VanDerWaalsContact C-N 3.33Å; A254-K256 PolarHBondContact O-N 2.87Å; K256-R259 PolarHBondContact O-N 3.16Å; K256-V260 WeakPolarHBondContact O-CG2 3.16Å; K256-V260 PolarHBondContact O-N 3.3Å; K256-V260 VanDerWaalsContact O-N 3.08Å
257	L	95.5	Very high	94	Very high	5 Å²	5	65.2 Å²	65.2	3%	0.026	35%	0.345	C	S	.	.	H	α-helix	trans	-62.1	-43.4	174.8	179.9	59.8	0	0	0	111.3	I225 L233 L253 A254 R259 V260 I261 I472 I473	I225-L257 HydrophobicContact CG2-CD1 3.91Å; L233-L257 HydrophobicContact CD1-CD1 4.29Å; L253-L257 PolarHBondContact O-N 3.36Å; A254-L257 PolarHBondContact O-N 3.33Å; L257-R259 VanDerWaalsContact C-N 3.34Å; L257-R259 PolarHBondContact O-N 2.79Å; L257-V260 PolarHBondContact O-N 2.78Å; L257-V260 VanDerWaalsContact O-N 3.14Å; L257-I261 HydrophobicContact CD1-CD1 4.15Å; L257-I261 HydrophobicContact CD1-CG1 4.28Å; L257-I261 HydrophobicContact CG-CD1 3.83Å; L257-I261 HydrophobicContact CG-CG1 4.43Å; L257-I261 VanDerWaalsContact O-CG1 3.31Å; L257-I261 WeakPolarHBondContact O-CG1 3.25Å; L257-I261 PolarHBondContact O-N 2.75Å; L257-I472 HydrophobicContact CD2-CB 4.17Å; L257-I472 HydrophobicContact CD2-CG2 3.81Å; L257-I473 HydrophobicContact CB-CD1 4.36Å; L257-I473 HydrophobicContact CD2-CD1 3.86Å; L257-I473 HydrophobicContact CD2-CG1 3.99Å
258	S	96.3	Very high	94.7	Very high	18 Å²	18	62.2 Å²	62.2	13%	0.126	32%	0.323	C	S	.	.	H	α-helix	trans	-56.3	-43.3	175.4	-168.1	0	0	0	0	112.3	A254 Q255 I261 L262 R466	A254-S258 VanDerWaalsContact O-CB 3.32Å; A254-S258 WeakPolarHBondContact O-CB 3.3Å; A254-S258 PolarHBondContact O-N 3Å; Q255-S258 WeakPolarHBondContact O-CB 3.25Å; Q255-S258 PolarHBondContact O-N 3.25Å; S258-I261 PolarHBondContact O-N 3.11Å; S258-L262 WeakPolarHBondContact O-CB 3.34Å; S258-L262 PolarHBondContact O-N 3.29Å; S258-R466 WeakPolarHBondContact OG-CG 3.4Å; S258-R466 PolarHBondContact OG-NE 3.18Å
259	R	95.1	Very high	95.3	Very high	181 Å²	181	62.6 Å²	62.6	68%	0.683	31%	0.308	S	S	*	.	H	α-helix	trans	-66.1	-39.4	174.7	-70.4	176.7	-172.1	176.2	4.7	112.8	Q255 K256 L257 L262 L263	Q255-R259 WeakPolarHBondContact O-CG 3.39Å; Q255-R259 PolarHBondContact O-N 3.23Å; K256-R259 PolarHBondContact O-N 3.16Å; L257-R259 VanDerWaalsContact C-N 3.34Å; L257-R259 PolarHBondContact O-N 2.79Å; R259-L262 PolarHBondContact O-N 3.39Å; R259-L263 PolarHBondContact O-N 2.94Å
260	V	95.6	Very high	95.7	Very high	31 Å²	31	64.6 Å²	64.6	19%	0.188	32%	0.318	C	S	.	.	H	α-helix	trans	-66.4	-42.9	176.3	170.6	0	0	0	0	111.2	K256 L257 L263 I264	K256-V260 WeakPolarHBondContact O-CG2 3.16Å; K256-V260 PolarHBondContact O-N 3.3Å; K256-V260 VanDerWaalsContact O-N 3.08Å; L257-V260 PolarHBondContact O-N 2.78Å; L257-V260 VanDerWaalsContact O-N 3.14Å; V260-L263 PolarHBondContact O-N 2.74Å; V260-I264 HydrophobicContact CG1-CD1 3.86Å; V260-I264 WeakPolarHBondContact O-CG1 3.45Å; V260-I264 PolarHBondContact O-N 2.94Å
261	I	96.6	Very high	95.8	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-59.6	-46.5	174.1	-68.8	162.9	0	0	0	110.5	I225 L257 S258 I264 G265 L461 L465 R466	I225-I261 HydrophobicContact CD1-CG1 4.34Å; I225-I261 HydrophobicContact CG2-CG1 3.83Å; L257-I261 HydrophobicContact CD1-CD1 4.15Å; L257-I261 HydrophobicContact CD1-CG1 4.28Å; L257-I261 HydrophobicContact CG-CD1 3.83Å; L257-I261 HydrophobicContact CG-CG1 4.43Å; L257-I261 VanDerWaalsContact O-CG1 3.31Å; L257-I261 WeakPolarHBondContact O-CG1 3.25Å; L257-I261 PolarHBondContact O-N 2.75Å; S258-I261 PolarHBondContact O-N 3.11Å; I261-I264 PolarHBondContact O-N 3.15Å; I261-G265 PolarHBondContact O-N 3.45Å; I261-L461 HydrophobicContact CG2-CB 4.47Å; I261-L461 WeakPolarHBondContact CG2-O 3.32Å; I261-L465 HydrophobicContact CD1-CD2 4.08Å; I261-L465 HydrophobicContact CD1-CG 4.07Å; I261-L465 HydrophobicContact CG1-CD2 4.08Å; I261-L465 HydrophobicContact CG2-CB 4.35Å; I261-L465 HydrophobicContact CG2-CD2 4.08Å; I261-L465 HydrophobicContact CG2-CG 4.42Å; I261-R466 HydrophobicContact CG2-CB 4.15Å
262	L	96.8	Very high	95.9	Very high	50 Å²	50	59.6 Å²	59.6	26%	0.262	30%	0.3	S	S	.	.	H	α-helix	trans	-60	-47.7	177.9	-179.8	63.7	0	0	0	111.8	S258 R259 I264 G265 L266 I462	S258-L262 WeakPolarHBondContact O-CB 3.34Å; S258-L262 PolarHBondContact O-N 3.29Å; R259-L262 PolarHBondContact O-N 3.39Å; L262-I264 PolarHBondContact O-N 3.2Å; L262-G265 PolarHBondContact O-N 3.14Å; L262-L266 HydrophobicContact CD1-CD1 4.32Å; L262-L266 HydrophobicContact CD1-CG 4.37Å; L262-L266 HydrophobicContact CG-CD1 4.16Å; L262-L266 WeakPolarHBondContact O-CG 3.27Å; L262-L266 PolarHBondContact O-N 3.35Å; L262-I462 HydrophobicContact CD1-CG1 4.34Å; L262-I462 HydrophobicContact CD1-CG2 4.05Å
263	L	96.2	Very high	95.8	Very high	122 Å²	122	57.2 Å²	57.2	64%	0.639	29%	0.294	S	S	*	.	H	α-helix	trans	-62.3	-42.2	179.5	-176.8	64.3	0	0	0	112.1	R259 V260 L266 A267	R259-L263 PolarHBondContact O-N 2.94Å; V260-L263 PolarHBondContact O-N 2.74Å; L263-L266 PolarHBondContact O-N 3.5Å; L263-A267 WeakPolarHBondContact O-CB 3.34Å; L263-A267 PolarHBondContact O-N 3.49Å
264	I	96.1	Very high	95.6	Very high	27 Å²	27	59.5 Å²	59.5	14%	0.138	30%	0.304	C	S	.	.	H	α-helix	trans	-69.2	-37.5	176.7	-70.8	169.7	0	0	0	110.8	N221 I225 V260 I261 L262 A267 N268 L461	N221-I264 WeakPolarHBondContact OD1-CG2 3.38Å; I225-I264 HydrophobicContact CD1-CG2 4.16Å; I225-I264 HydrophobicContact CG1-CB 4.36Å; I225-I264 HydrophobicContact CG1-CD1 3.62Å; I225-I264 HydrophobicContact CG1-CG2 4.09Å; V260-I264 HydrophobicContact CG1-CD1 3.86Å; V260-I264 WeakPolarHBondContact O-CG1 3.45Å; V260-I264 PolarHBondContact O-N 2.94Å; I261-I264 PolarHBondContact O-N 3.15Å; L262-I264 PolarHBondContact O-N 3.2Å; I264-A267 PolarHBondContact O-N 2.86Å; I264-N268 PolarHBondContact O-N 2.9Å; I264-N268 PolarHBondContact O-ND2 2.94Å; I264-L461 HydrophobicContact CG2-CD1 4.38Å
265	G	96.6	Very high	95.5	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-60.2	-47.6	172.8	0	0	0	0	0	112.6	I261 L262 A267 N268 L269 P458	I261-G265 PolarHBondContact O-N 3.45Å; L262-G265 PolarHBondContact O-N 3.14Å; G265-A267 VanDerWaalsContact C-N 3.35Å; G265-A267 PolarHBondContact O-N 3Å; G265-N268 PolarHBondContact O-N 2.96Å; G265-L269 PolarHBondContact O-N 3.24Å; G265-P458 WeakPolarHBondContact O-CB 3.29Å
266	L	97.6	Very high	95.5	Very high	88 Å²	88	58.7 Å²	58.7	46%	0.461	30%	0.302	S	S	.	.	H	α-helix	trans	-63.4	-38.4	175.3	-69.3	171.8	0	0	0	112.3	L262 L263 L269 L270 I462	L262-L266 HydrophobicContact CD1-CD1 4.32Å; L262-L266 HydrophobicContact CD1-CG 4.37Å; L262-L266 HydrophobicContact CG-CD1 4.16Å; L262-L266 WeakPolarHBondContact O-CG 3.27Å; L262-L266 PolarHBondContact O-N 3.35Å; L263-L266 PolarHBondContact O-N 3.5Å; L266-L269 PolarHBondContact O-N 3.23Å; L266-L270 PolarHBondContact O-N 3.19Å; L266-I462 HydrophobicContact CD2-CD1 4.26Å
267	A	96.3	Very high	95.4	Very high	44 Å²	44	56.8 Å²	56.8	36%	0.364	30%	0.3	S	S	.	.	H	α-helix	trans	-64.8	-39.7	174.1	0	0	0	0	0	112.4	L263 I264 G265 L270 L271	L263-A267 WeakPolarHBondContact O-CB 3.34Å; L263-A267 PolarHBondContact O-N 3.49Å; I264-A267 PolarHBondContact O-N 2.86Å; G265-A267 VanDerWaalsContact C-N 3.35Å; G265-A267 PolarHBondContact O-N 3Å; A267-L270 PolarHBondContact O-N 3.02Å; A267-L271 WeakPolarHBondContact O-CB 3.17Å; A267-L271 VanDerWaalsContact O-CG 3.27Å; A267-L271 WeakPolarHBondContact O-CG 3.46Å; A267-L271 PolarHBondContact O-N 2.71Å
268	N	96.2	Very high	95.3	Very high	24 Å²	24	60.2 Å²	60.2	13%	0.128	31%	0.312	C	S	.	.	H	α-helix	trans	-65.3	-38.6	172.9	-80.4	-96.6	0	0	0	111.5	N221 I264 G265 L271 C272 P458	N221-N268 PolarHBondContact ND2-OD1 2.88Å; N221-N268 PolarHBondContact OD1-ND2 3.4Å; N221-N268 PolarHBondContact OD1-OD1 3.41Å; I264-N268 PolarHBondContact O-N 2.9Å; I264-N268 PolarHBondContact O-ND2 2.94Å; G265-N268 PolarHBondContact O-N 2.96Å; N268-L271 CarbonylContact O-C 3.58Å; N268-L271 PolarHBondContact O-N 3.17Å; N268-C272 PolarHBondContact O-N 3.21Å; N268-P458 HydrophobicContact CB-CB 4.18Å
269	L	97.1	Very high	95.1	Very high	76 Å²	76	61.5 Å²	61.5	40%	0.398	32%	0.316	S	S	.	.	H	α-helix	trans	-64	-43.1	176.8	-172.6	64	0	0	0	111.7	G265 L266 C272 P458	G265-L269 PolarHBondContact O-N 3.24Å; L266-L269 PolarHBondContact O-N 3.23Å; L269-C272 WeakPolarHBondContact O-CB 3.38Å; L269-C272 PolarHBondContact O-N 2.84Å; L269-P458 HydrophobicContact CB-CB 3.92Å; L269-P458 HydrophobicContact CB-CG 4.39Å; L269-P458 HydrophobicContact CD1-CB 4.31Å; L269-P458 HydrophobicContact CD1-CG 4.1Å
270	L	96.3	Very high	95.1	Very high	132 Å²	132	56.4 Å²	56.4	69%	0.691	31%	0.305	S	S	*	.	H	α-helix	trans	-64.7	-37.4	174.8	-178.9	63.8	0	0	0	112.5	L266 A267	L266-L270 PolarHBondContact O-N 3.19Å; A267-L270 PolarHBondContact O-N 3.02Å
271	L	94.4	Very high	94.9	Very high	77 Å²	77	56.8 Å²	56.8	40%	0.403	31%	0.306	S	S	.	.	H	α-helix	trans	-82.8	-12.1	179.2	-67.4	173.2	0	0	0	113.8	A267 N268 F274 I275	A267-L271 WeakPolarHBondContact O-CB 3.17Å; A267-L271 VanDerWaalsContact O-CG 3.27Å; A267-L271 WeakPolarHBondContact O-CG 3.46Å; A267-L271 PolarHBondContact O-N 2.71Å; N268-L271 CarbonylContact O-C 3.58Å; N268-L271 PolarHBondContact O-N 3.17Å; L271-F274 HydrophobicContact CD2-CD2 4.42Å; L271-F274 PolarHBondContact O-N 2.98Å; L271-F274 VanDerWaalsContact O-N 3.13Å; L271-I275 HydrophobicContact CB-CD1 3.79Å; L271-I275 HydrophobicContact CB-CG1 4.3Å; L271-I275 WeakPolarHBondContact O-CG1 3.43Å; L271-I275 PolarHBondContact O-N 2.79Å; L271-I275 VanDerWaalsContact O-N 3.08Å
272	C	95.8	Very high	94.6	Very high	18 Å²	18	61.1 Å²	61.1	12%	0.122	32%	0.323	C	S	.	.	H	α-helix	trans	-45.1	-53.5	-177.4	179.8	0	0	0	0	114.4	N268 L269 F274 I275 L276 P454	N268-C272 PolarHBondContact O-N 3.21Å; L269-C272 WeakPolarHBondContact O-CB 3.38Å; L269-C272 PolarHBondContact O-N 2.84Å; C272-F274 VanDerWaalsContact C-N 3.32Å; C272-F274 PolarHBondContact O-N 3.28Å; C272-I275 PolarHBondContact O-N 3.13Å; C272-L276 VanDerWaalsContact O-CB 3.25Å; C272-L276 WeakPolarHBondContact O-CB 3.09Å; C272-L276 PolarHBondContact O-N 2.99Å; C272-P454 PolarHBondContact SG-O 3.2Å
273	P	93.4	Very high	94.3	Very high	65 Å²	65	59.7 Å²	59.7	42%	0.422	32%	0.318	S	S	.	.	H	α-helix	trans	-60.8	-38.6	-177.7	22.6	-33.7	0	0	0	113	L276 V277	P273-L276 PolarHBondContact O-N 3.08Å; P273-V277 WeakPolarHBondContact O-CG2 3.24Å; P273-V277 PolarHBondContact O-N 3.33Å
274	F	91	Very high	94.1	Very high	55 Å²	55	59.5 Å²	59.5	24%	0.241	31%	0.312	C	S	.	.	H	α-helix	trans	-70.6	-43	179.9	-51.1	-74	0	0	0	112	W102 F105 L106 L271 C272 L276 V277 W278	W102-F274 HydrophobicContact CH2-CE1 4.49Å; F105-F274 HydrophobicContact CD1-CE1 4.43Å; F105-F274 AromaticContact CE1-CE1 3.67Å; F105-F274 HydrophobicContact CE1-CE1 3.67Å; F105-F274 AromaticContact CE1-CZ 3.73Å; F105-F274 HydrophobicContact CE1-CZ 3.73Å; F105-F274 HydrophobicContact CZ-CE1 4.47Å; F105-F274 HydrophobicContact CZ-CZ 4.26Å; L106-F274 HydrophobicContact CD2-CD1 3.63Å; L106-F274 HydrophobicContact CD2-CE1 3.76Å; L271-F274 HydrophobicContact CD2-CD2 4.42Å; L271-F274 PolarHBondContact O-N 2.98Å; L271-F274 VanDerWaalsContact O-N 3.13Å; C272-F274 VanDerWaalsContact C-N 3.32Å; C272-F274 PolarHBondContact O-N 3.28Å; F274-L276 VanDerWaalsContact C-N 3.33Å; F274-V277 PolarHBondContact O-N 3.47Å; F274-W278 PolarHBondContact O-N 3.43Å; F274-W278 VanDerWaalsContact O-N 3.11Å
275	I	93.4	Very high	93.8	Very high	56 Å²	56	61.1 Å²	61.1	29%	0.287	32%	0.319	S	S	.	.	H	α-helix	trans	-66.4	-39.4	177.2	-57.6	168	0	0	0	109.8	L271 C272 W278 Q279 P454	L271-I275 HydrophobicContact CB-CD1 3.79Å; L271-I275 HydrophobicContact CB-CG1 4.3Å; L271-I275 WeakPolarHBondContact O-CG1 3.43Å; L271-I275 PolarHBondContact O-N 2.79Å; L271-I275 VanDerWaalsContact O-N 3.08Å; C272-I275 PolarHBondContact O-N 3.13Å; I275-W278 PolarHBondContact O-N 3.47Å; I275-Q279 HydrophobicContact CG2-CG 4.33Å; I275-Q279 VanDerWaalsContact O-CG 3.31Å; I275-Q279 WeakPolarHBondContact O-CG 3.38Å; I275-Q279 PolarHBondContact O-N 2.88Å; I275-P454 HydrophobicContact CB-CB 4.05Å; I275-P454 HydrophobicContact CB-CG 4.27Å; I275-P454 HydrophobicContact CG2-CB 3.89Å; I275-P454 HydrophobicContact CG2-CG 3.66Å
276	L	94.6	Very high	93.3	Very high	49 Å²	49	63.2 Å²	63.2	26%	0.257	33%	0.333	S	S	.	.	H	α-helix	trans	-63.3	-46.6	177.2	-175.1	64.5	0	0	0	111.9	C272 P273 F274 W278 Q279 V280 L451 P454 I455	C272-L276 VanDerWaalsContact O-CB 3.25Å; C272-L276 WeakPolarHBondContact O-CB 3.09Å; C272-L276 PolarHBondContact O-N 2.99Å; P273-L276 PolarHBondContact O-N 3.08Å; F274-L276 VanDerWaalsContact C-N 3.33Å; L276-W278 VanDerWaalsContact C-N 3.32Å; L276-W278 PolarHBondContact O-N 3.36Å; L276-Q279 PolarHBondContact O-N 2.77Å; L276-V280 HydrophobicContact CD1-CG2 4.46Å; L276-V280 HydrophobicContact CG-CG2 4.48Å; L276-V280 VanDerWaalsContact O-CG2 3.31Å; L276-V280 WeakPolarHBondContact O-CG2 3.34Å; L276-V280 PolarHBondContact O-N 3.45Å; L276-L451 HydrophobicContact CD1-CD1 4.34Å; L276-L451 WeakPolarHBondContact CD1-O 3.49Å; L276-P454 HydrophobicContact CB-CB 4.45Å; L276-I455 HydrophobicContact CD1-CD1 4.25Å; L276-I455 HydrophobicContact CD1-CG1 4.44Å; L276-I455 HydrophobicContact CD2-CD1 4.13Å; L276-I455 HydrophobicContact CD2-CG1 4.38Å
277	V	92.4	Very high	92.7	Very high	75 Å²	75	61.6 Å²	61.6	46%	0.455	32%	0.321	S	S	.	.	H	α-helix	trans	-57.1	-45.8	174.6	168.5	0	0	0	0	110.9	P273 F274 V280 L281	P273-V277 WeakPolarHBondContact O-CG2 3.24Å; P273-V277 PolarHBondContact O-N 3.33Å; F274-V277 PolarHBondContact O-N 3.47Å; V277-V280 PolarHBondContact O-N 3.44Å; V277-L281 HydrophobicContact CG1-CD1 3.89Å; V277-L281 HydrophobicContact CG1-CG 4.48Å; V277-L281 VanDerWaalsContact O-CG 3.28Å; V277-L281 WeakPolarHBondContact O-CG 3.48Å; V277-L281 PolarHBondContact O-N 3.22Å
278	W	92.6	Very high	92.1	Very high	76 Å²	76	62.3 Å²	62.3	29%	0.288	32%	0.321	S	S	.	.	H	α-helix	trans	-60.8	-45	175.3	171.7	-98.8	0	0	0	112.6	F41 V44 F274 I275 L276 L281 Y282	F41-W278 HydrophobicContact CB-CH2 4.3Å; F41-W278 HydrophobicContact CD2-CE3 4.02Å; F41-W278 AromaticContact CD2-CH2 3.52Å; F41-W278 HydrophobicContact CD2-CH2 3.52Å; F41-W278 HydrophobicContact CD2-CZ2 4.14Å; F41-W278 AromaticContact CD2-CZ3 3.44Å; F41-W278 HydrophobicContact CD2-CZ3 3.44Å; F41-W278 VanDerWaalsContact CD2-CZ3 3.44Å; F41-W278 HydrophobicContact CE2-CD2 4.43Å; F41-W278 AromaticContact CE2-CE3 3.86Å; F41-W278 HydrophobicContact CE2-CE3 3.86Å; F41-W278 HydrophobicContact CE2-CH2 4.21Å; F41-W278 AromaticContact CE2-CZ3 3.73Å; F41-W278 HydrophobicContact CE2-CZ3 3.73Å; F41-W278 HydrophobicContact CG-CH2 4.24Å; F41-W278 HydrophobicContact CG-CZ3 4.19Å; V44-W278 HydrophobicContact CB-CH2 4.42Å; V44-W278 HydrophobicContact CB-CZ3 4.07Å; V44-W278 HydrophobicContact CG1-CE3 4.4Å; V44-W278 HydrophobicContact CG1-CH2 4.41Å; V44-W278 HydrophobicContact CG1-CZ3 3.78Å; F274-W278 PolarHBondContact O-N 3.43Å; F274-W278 VanDerWaalsContact O-N 3.11Å; I275-W278 PolarHBondContact O-N 3.47Å; L276-W278 VanDerWaalsContact C-N 3.32Å; L276-W278 PolarHBondContact O-N 3.36Å; W278-L281 PolarHBondContact O-N 3Å; W278-Y282 HydrophobicContact CH2-CD2 4.42Å; W278-Y282 AromaticContact CZ2-CD2 3.93Å; W278-Y282 HydrophobicContact CZ2-CD2 3.93Å; W278-Y282 HydrophobicContact CZ2-CG 4.31Å; W278-Y282 VanDerWaalsContact O-CB 3.22Å; W278-Y282 WeakPolarHBondContact O-CB 3.33Å; W278-Y282 PolarHBondContact O-N 2.97Å
279	Q	93.4	Very high	91.4	Very high	46 Å²	46	66.2 Å²	66.2	22%	0.215	34%	0.339	C	S	.	.	H	α-helix	trans	-64.2	-42.5	179.2	-71	-68.4	5	0	0	112.4	I275 L276 A283 L451 P454	I275-Q279 HydrophobicContact CG2-CG 4.33Å; I275-Q279 VanDerWaalsContact O-CG 3.31Å; I275-Q279 WeakPolarHBondContact O-CG 3.38Å; I275-Q279 PolarHBondContact O-N 2.88Å; L276-Q279 PolarHBondContact O-N 2.77Å; Q279-A283 WeakPolarHBondContact O-CB 3.46Å; Q279-A283 PolarHBondContact O-N 3.29Å; Q279-L451 HydrophobicContact CB-CD1 4.16Å; Q279-P454 HydrophobicContact CG-CG 4Å
280	V	93.8	Very high	90.7	Very high	73 Å²	73	64 Å²	64	44%	0.442	33%	0.328	S	S	.	.	H	α-helix	trans	-59.2	-51.7	175.5	171.9	0	0	0	0	110.5	L276 V277 A283 F284 L451	L276-V280 HydrophobicContact CD1-CG2 4.46Å; L276-V280 HydrophobicContact CG-CG2 4.48Å; L276-V280 VanDerWaalsContact O-CG2 3.31Å; L276-V280 WeakPolarHBondContact O-CG2 3.34Å; L276-V280 PolarHBondContact O-N 3.45Å; V277-V280 PolarHBondContact O-N 3.44Å; V280-A283 PolarHBondContact O-N 3.22Å; V280-F284 WeakPolarHBondContact O-CB 3.41Å; V280-F284 PolarHBondContact O-N 3.46Å; V280-L451 HydrophobicContact CB-CD1 4.48Å; V280-L451 HydrophobicContact CG2-CD1 3.7Å
281	L	92.9	Very high	89.9	Confident	40 Å²	40	61.3 Å²	61.3	21%	0.209	31%	0.314	C	S	.	.	H	α-helix	trans	-63.6	-46.7	-179	-67.5	173.2	0	0	0	111.5	V44 T48 V277 W278 A283 F284 F285	V44-L281 HydrophobicContact CG1-CB 4.04Å; T48-L281 HydrophobicContact CG2-CD1 3.97Å; T48-L281 HydrophobicContact CG2-CD2 3.64Å; T48-L281 HydrophobicContact CG2-CG 4.48Å; V277-L281 HydrophobicContact CG1-CD1 3.89Å; V277-L281 HydrophobicContact CG1-CG 4.48Å; V277-L281 VanDerWaalsContact O-CG 3.28Å; V277-L281 WeakPolarHBondContact O-CG 3.48Å; V277-L281 PolarHBondContact O-N 3.22Å; W278-L281 PolarHBondContact O-N 3Å; L281-A283 PolarHBondContact O-N 3.08Å; L281-F284 PolarHBondContact O-N 2.81Å; L281-F285 HydrophobicContact CB-CD2 4.49Å; L281-F285 HydrophobicContact CB-CE2 4.38Å; L281-F285 HydrophobicContact CD2-CE2 4.36Å; L281-F285 WeakPolarHBondContact O-CD2 3.45Å; L281-F285 PolarHBondContact O-N 3.49Å
282	Y	90.1	Very high	89.1	Confident	90 Å²	90	67.6 Å²	67.6	35%	0.353	33%	0.332	S	S	.	.	H	α-helix	trans	-63	-42.5	179.2	-177.5	-101.3	0	0	0	112.1	W278 S286	W278-Y282 HydrophobicContact CH2-CD2 4.42Å; W278-Y282 AromaticContact CZ2-CD2 3.93Å; W278-Y282 HydrophobicContact CZ2-CD2 3.93Å; W278-Y282 HydrophobicContact CZ2-CG 4.31Å; W278-Y282 VanDerWaalsContact O-CB 3.22Å; W278-Y282 WeakPolarHBondContact O-CB 3.33Å; W278-Y282 PolarHBondContact O-N 2.97Å; Y282-S286 WeakPolarHBondContact O-CB 3.37Å; Y282-S286 PolarHBondContact O-N 3.31Å; Y282-S286 PolarHBondContact O-OG 2.84Å
283	A	90.6	Very high	88.5	Confident	20 Å²	20	74.9 Å²	74.9	17%	0.165	36%	0.357	C	S	.	.	H	α-helix	trans	-63.9	-43	175.7	0	0	0	0	0	111.6	Q279 V280 L281 S286 Y287	Q279-A283 WeakPolarHBondContact O-CB 3.46Å; Q279-A283 PolarHBondContact O-N 3.29Å; V280-A283 PolarHBondContact O-N 3.22Å; L281-A283 PolarHBondContact O-N 3.08Å; A283-S286 PolarHBondContact O-N 3.36Å; A283-Y287 HydrophobicContact CB-CD2 4.16Å; A283-Y287 WeakPolarHBondContact O-CB 3.35Å; A283-Y287 WeakPolarHBondContact O-CD2 3.34Å; A283-Y287 PolarHBondContact O-N 3.4Å
284	F	91.4	Very high	88	Confident	118 Å²	118	77 Å²	77	52%	0.518	36%	0.361	S	S	.	.	H	α-helix	trans	-60.1	-52.2	176.4	179	-99.7	0	0	0	111.9	V280 L281 S286 T288	V280-F284 WeakPolarHBondContact O-CB 3.41Å; V280-F284 PolarHBondContact O-N 3.46Å; L281-F284 PolarHBondContact O-N 2.81Å; F284-S286 VanDerWaalsContact C-N 3.32Å; F284-S286 PolarHBondContact O-N 3.25Å; F284-T288 WeakPolarHBondContact CD2-OG1 3.1Å; F284-T288 HydrophobicContact CE2-CG2 4.36Å; F284-T288 WeakPolarHBondContact O-CB 3.42Å; F284-T288 PolarHBondContact O-N 3.41Å; F284-T288 PolarHBondContact O-OG1 2.88Å
285	F	89.9	Confident	87.5	Confident	62 Å²	62	75.1 Å²	75.1	27%	0.272	36%	0.355	S	S	.	.	H	α-helix	trans	-69.4	-27.7	-179.6	-68	-60	0	0	0	113.6	V44 F47 T48 L281	V44-F285 HydrophobicContact CB-CD2 4.41Å; V44-F285 HydrophobicContact CG1-CD2 3.93Å; V44-F285 HydrophobicContact CG1-CE2 4.03Å; V44-F285 HydrophobicContact CG2-CD2 3.92Å; F47-F285 AromaticContact CD1-CE1 3.71Å; F47-F285 HydrophobicContact CD1-CE1 3.71Å; F47-F285 AromaticContact CD1-CZ 3.89Å; F47-F285 HydrophobicContact CD1-CZ 3.89Å; F47-F285 AromaticContact CE1-CE1 3.85Å; F47-F285 HydrophobicContact CE1-CE1 3.85Å; F47-F285 HydrophobicContact CE1-CZ 4.38Å; T48-F285 WeakPolarHBondContact OG1-CE2 3.26Å; L281-F285 HydrophobicContact CB-CD2 4.49Å; L281-F285 HydrophobicContact CB-CE2 4.38Å; L281-F285 HydrophobicContact CD2-CE2 4.36Å; L281-F285 WeakPolarHBondContact O-CD2 3.45Å; L281-F285 PolarHBondContact O-N 3.49Å
286	S	86.9	Confident	86.8	Confident	44 Å²	44	74 Å²	74	31%	0.308	36%	0.357	S	S	.	.	H	α-helix	trans	-88.8	-28.4	-177.3	-54.7	0	0	0	0	114.5	Y282 A283 F284	Y282-S286 WeakPolarHBondContact O-CB 3.37Å; Y282-S286 PolarHBondContact O-N 3.31Å; Y282-S286 PolarHBondContact O-OG 2.84Å; A283-S286 PolarHBondContact O-N 3.36Å; F284-S286 VanDerWaalsContact C-N 3.32Å; F284-S286 PolarHBondContact O-N 3.25Å
287	Y	84.9	Confident	86.4	Confident	53 Å²	53	73 Å²	73	21%	0.208	35%	0.354	C	S	.	.	H	α-helix	trans	-116.7	-15.3	-171.3	-60.2	-60.3	0	0	0	115.2	A283 E289 V290 I291 I447	A283-Y287 HydrophobicContact CB-CD2 4.16Å; A283-Y287 WeakPolarHBondContact O-CB 3.35Å; A283-Y287 WeakPolarHBondContact O-CD2 3.34Å; A283-Y287 PolarHBondContact O-N 3.4Å; Y287-E289 PolarHBondContact O-N 3.26Å; Y287-V290 WeakPolarHBondContact O-CB 3.42Å; Y287-V290 PolarHBondContact O-N 3.01Å; Y287-I291 VanDerWaalsContact O-CG1 3.31Å; Y287-I291 WeakPolarHBondContact O-CG1 3.38Å; Y287-I291 PolarHBondContact O-N 2.83Å; Y287-I447 HydrophobicContact CD1-CD1 3.86Å; Y287-I447 HydrophobicContact CD2-CD1 3.8Å; Y287-I447 HydrophobicContact CD2-CG1 4.1Å; Y287-I447 HydrophobicContact CD2-CG2 4.09Å; Y287-I447 HydrophobicContact CE1-CD1 3.91Å; Y287-I447 HydrophobicContact CE1-CG1 4.37Å; Y287-I447 HydrophobicContact CE2-CD1 3.84Å; Y287-I447 HydrophobicContact CE2-CG1 3.71Å; Y287-I447 HydrophobicContact CE2-CG2 4.15Å; Y287-I447 HydrophobicContact CG-CD1 3.82Å
288	T	82.8	Confident	86	Confident	60 Å²	60	70.8 Å²	70.8	37%	0.368	34%	0.34	S	S	.	.	H	α-helix	trans	-64.2	-35.8	-179.5	-63.2	0	0	0	0	113.1	F284 I291 R292	F284-T288 WeakPolarHBondContact CD2-OG1 3.1Å; F284-T288 HydrophobicContact CE2-CG2 4.36Å; F284-T288 WeakPolarHBondContact O-CB 3.42Å; F284-T288 PolarHBondContact O-N 3.41Å; F284-T288 PolarHBondContact O-OG1 2.88Å; T288-I291 PolarHBondContact O-N 3.4Å; T288-R292 PolarHBondContact O-N 3.4Å; T288-R292 VanDerWaalsContact O-N 3.1Å
289	E	82.6	Confident	85.7	Confident	105 Å²	105	69 Å²	69	49%	0.491	34%	0.344	S	S	.	.	H	α-helix	trans	-62	-46.8	172.7	-175.6	-86	171.4	0	0	111	Y287 I291 R292 R293	Y287-E289 PolarHBondContact O-N 3.26Å; E289-I291 VanDerWaalsContact C-N 3.35Å; E289-I291 PolarHBondContact O-N 3.18Å; E289-R292 PolarHBondContact O-N 3.08Å; E289-R292 VanDerWaalsContact O-N 3.14Å; E289-R293 VanDerWaalsContact O-CB 3.3Å; E289-R293 WeakPolarHBondContact O-CB 3.19Å; E289-R293 PolarHBondContact O-N 2.95Å; E289-R293 WeakPolarHBondContact OE1-CD 3.18Å; E289-R293 IonicContact OE1-NH1 2.7Å; E289-R293 PolarHBondContact OE1-NH1 3.13Å
290	V	82.1	Confident	85.5	Confident	29 Å²	29	68.6 Å²	68.6	18%	0.176	35%	0.349	C	S	.	.	H	α-helix	trans	-62.2	-41.2	180	180	0	0	0	0	111.5	Y287 E294 S297	Y287-V290 WeakPolarHBondContact O-CB 3.42Å; Y287-V290 PolarHBondContact O-N 3.01Å; V290-E294 CarbonylContact O-C 3.22Å; V290-E294 PolarHBondContact O-N 3.38Å; V290-S297 WeakPolarHBondContact CG1-OG 3.2Å
291	I	79.6	Confident	85.5	Confident	76 Å²	76	66.2 Å²	66.2	39%	0.39	33%	0.332	S	S	.	.	H	α-helix	trans	-61.3	-43.3	174.8	-71.2	162.1	0	0	0	111.1	Y287 T288 E289 P295 L298	Y287-I291 VanDerWaalsContact O-CG1 3.31Å; Y287-I291 WeakPolarHBondContact O-CG1 3.38Å; Y287-I291 PolarHBondContact O-N 2.83Å; T288-I291 PolarHBondContact O-N 3.4Å; E289-I291 VanDerWaalsContact C-N 3.35Å; E289-I291 PolarHBondContact O-N 3.18Å; I291-P295 WeakPolarHBondContact O-CB 3.17Å; I291-P295 WeakPolarHBondContact O-CD 3.34Å; I291-L298 HydrophobicContact CD1-CD1 4.19Å; I291-L298 HydrophobicContact CG1-CD1 3.54Å; I291-L298 HydrophobicContact CG1-CG 4.48Å
292	R	76.4	Confident	85.5	Confident	209 Å²	209	67.9 Å²	67.9	79%	0.789	34%	0.336	S	S	*	.	H	α-helix	trans	-72	-38.3	-178.9	-178.7	176.5	176.6	170.7	0.2	112.6	T288 E289	T288-R292 PolarHBondContact O-N 3.4Å; T288-R292 VanDerWaalsContact O-N 3.1Å; E289-R292 PolarHBondContact O-N 3.08Å; E289-R292 VanDerWaalsContact O-N 3.14Å
293	R	83.6	Confident	85.9	Confident	171 Å²	171	64.8 Å²	64.8	65%	0.645	32%	0.323	S	S	*	.	H	α-helix	trans	-84.4	-51.6	-172.8	-179.1	179.3	171.6	152.9	5.8	112.7	E289	E289-R293 VanDerWaalsContact O-CB 3.3Å; E289-R293 WeakPolarHBondContact O-CB 3.19Å; E289-R293 PolarHBondContact O-N 2.95Å; E289-R293 WeakPolarHBondContact OE1-CD 3.18Å; E289-R293 IonicContact OE1-NH1 2.7Å; E289-R293 PolarHBondContact OE1-NH1 3.13Å
294	E	82.3	Confident	86.2	Confident	109 Å²	109	63.9 Å²	63.9	51%	0.509	32%	0.316	S	S	.	.			trans	-142.1	72.9	-172.4	-80.4	164.1	-131.7	0	0	109.7	V290 G296 S297	V290-E294 CarbonylContact O-C 3.22Å; V290-E294 PolarHBondContact O-N 3.38Å; E294-G296 PolarHBondContact O-N 3.26Å; E294-S297 WeakPolarHBondContact O-CB 3.43Å; E294-S297 PolarHBondContact O-N 3.4Å; E294-S297 PolarHBondContact O-OG 3.29Å
295	P	80.6	Confident	86.4	Confident	16 Å²	16	59.2 Å²	59.2	10%	0.104	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-30.1	-176.6	22.6	-32.8	0	0	0	112.8	I291 S297 L298 T390 I391	I291-P295 WeakPolarHBondContact O-CB 3.17Å; I291-P295 WeakPolarHBondContact O-CD 3.34Å; P295-S297 PolarHBondContact O-N 2.87Å; P295-S297 VanDerWaalsContact O-N 3.14Å; P295-L298 PolarHBondContact O-N 2.88Å; P295-T390 HydrophobicContact CG-CG2 3.59Å; P295-I391 HydrophobicContact CB-CG1 3.78Å; P295-I391 HydrophobicContact CG-CG1 4.05Å
296	G	80.5	Confident	86.7	Confident	33 Å²	33	57.3 Å²	57.3	34%	0.34	29%	0.287	S	S	.	.	H	α-helix	trans	-58.7	-22.8	172.7	0	0	0	0	0	113.9	E294 L298 G299 A300	E294-G296 PolarHBondContact O-N 3.26Å; G296-L298 PolarHBondContact O-N 3.32Å; G296-G299 WeakPolarHBondContact O-CA 3.46Å; G296-G299 PolarHBondContact O-N 2.85Å; G296-A300 PolarHBondContact O-N 3.11Å
297	S	84.9	Confident	87.1	Confident	27 Å²	27	55.2 Å²	55.2	19%	0.189	27%	0.273	C	S	.	.	H	α-helix	trans	-67.8	-16.6	175.6	77.1	0	0	0	0	113.7	V290 E294 P295 A300 K443	V290-S297 WeakPolarHBondContact CG1-OG 3.2Å; E294-S297 WeakPolarHBondContact O-CB 3.43Å; E294-S297 PolarHBondContact O-N 3.4Å; E294-S297 PolarHBondContact O-OG 3.29Å; P295-S297 PolarHBondContact O-N 2.87Å; P295-S297 VanDerWaalsContact O-N 3.14Å; S297-A300 WeakPolarHBondContact O-CB 3.48Å; S297-K443 VanDerWaalsContact O-CD 3.26Å; S297-K443 WeakPolarHBondContact O-CD 3.43Å
298	L	84.4	Confident	87.7	Confident	30 Å²	30	57 Å²	57	16%	0.157	28%	0.279	C	S	.	.	H	α-helix	trans	-82.5	-26	169.9	-66	-169.6	0	0	0	113	I291 P295 G296 K443 A444 I447	I291-L298 HydrophobicContact CD1-CD1 4.19Å; I291-L298 HydrophobicContact CG1-CD1 3.54Å; I291-L298 HydrophobicContact CG1-CG 4.48Å; P295-L298 PolarHBondContact O-N 2.88Å; G296-L298 PolarHBondContact O-N 3.32Å; L298-K443 HydrophobicContact CD2-CD 4Å; L298-K443 HydrophobicContact CD2-CG 4.26Å; L298-A444 HydrophobicContact CB-CB 4.36Å; L298-A444 PolarHBondContact O-N 3.48Å; L298-A444 VanDerWaalsContact O-N 3.12Å; L298-I447 HydrophobicContact CD2-CD1 3.77Å
299	G	86	Confident	88.3	Confident	37 Å²	37	54.6 Å²	54.6	38%	0.381	26%	0.264	S	S	.	.	H	α-helix	trans	-74.1	-13.6	167.9	0	0	0	0	0	113.2	G296 Y442	G296-G299 WeakPolarHBondContact O-CA 3.46Å; G296-G299 PolarHBondContact O-N 2.85Å; G299-Y442 WeakPolarHBondContact O-CD1 3.44Å; G299-Y442 VanDerWaalsContact O-CE1 3.29Å; G299-Y442 WeakPolarHBondContact O-CE1 3.29Å
300	A	89.4	Confident	89	Confident	38 Å²	38	50.9 Å²	50.9	31%	0.314	25%	0.246	S	C	.	.	S	Bend	trans	-62.5	145.6	167.9	0	0	0	0	0	111.2	G296 S297 K443	G296-A300 PolarHBondContact O-N 3.11Å; S297-A300 WeakPolarHBondContact O-CB 3.48Å; A300-K443 VanDerWaalsContact O-CB 3.32Å; A300-K443 WeakPolarHBondContact O-CB 3.43Å; A300-K443 PolarHBondContact O-N 3.36Å
301	R	93.1	Very high	89.7	Confident	24 Å²	24	49.5 Å²	49.5	9%	0.091	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	165.6	179.1	-70.2	176.6	174	-94.5	4.3	111.6	Y329 F440 Q441 Y442	R301-Y329 WeakPolarHBondContact O-CE2 3.49Å; R301-Y329 PolarHBondContact O-OH 3.34Å; R301-F440 HydrophobicContact CB-CD1 3.63Å; R301-F440 HydrophobicContact CB-CE1 3.32Å; R301-F440 HydrophobicContact CB-CE2 4.32Å; R301-F440 HydrophobicContact CB-CG 4.26Å; R301-F440 HydrophobicContact CB-CZ 3.7Å; R301-F440 HydrophobicContact CG-CD1 4.25Å; R301-F440 HydrophobicContact CG-CE1 4.19Å; R301-F440 PolarHBondContact NH1-O 3.46Å; R301-Q441 CarbonylContact C-O 3.53Å; R301-Q441 VanDerWaalsContact CA-O 3.31Å; R301-Q441 WeakPolarHBondContact CA-O 3.3Å; R301-Y442 HydrophobicContact CG-CD1 3.78Å; R301-Y442 HydrophobicContact CG-CE1 3.93Å; R301-Y442 HydrophobicContact CG-CG 4.39Å; R301-Y442 VanDerWaalsContact NH2-CE2 3.25Å; R301-Y442 PolarHBondContact NH2-OH 3.08Å
302	R	94.6	Very high	90.5	Very high	75 Å²	75	46.4 Å²	46.4	28%	0.283	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	152.8	177.2	56.6	175.6	-71	175.3	-7.4	110.6	S304 F440 Q441	R302-S304 PolarHBondContact O-N 3.39Å; R302-F440 CarbonylContact O-C 3.59Å; R302-F440 WeakPolarHBondContact O-CA 3.28Å; R302-Q441 HydrophobicContact CG-CG 4.44Å; R302-Q441 PolarHBondContact N-O 3.23Å; R302-Q441 PolarHBondContact O-N 3.01Å; R302-Q441 VanDerWaalsContact O-N 3.09Å
303	W	96.9	Very high	91.5	Very high	25 Å²	25	36.4 Å²	36.4	10%	0.095	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	123.3	169.4	-61.6	107.3	0	0	0	110.6	R308 L311 L325 T332 I416 L439 F440	W303-R308 HydrophobicContact CB-CG 4.15Å; W303-L311 HydrophobicContact CE3-CD1 3.96Å; W303-L311 HydrophobicContact CH2-CD1 4.47Å; W303-L311 HydrophobicContact CZ3-CD1 3.7Å; W303-L325 HydrophobicContact CB-CD1 4.29Å; W303-L325 HydrophobicContact CD2-CB 4.41Å; W303-L325 HydrophobicContact CD2-CD1 4.41Å; W303-L325 HydrophobicContact CD2-CD2 4.08Å; W303-L325 HydrophobicContact CE3-CD2 4.31Å; W303-L325 HydrophobicContact CG-CB 4.22Å; W303-L325 HydrophobicContact CG-CD1 4.09Å; W303-L325 HydrophobicContact CZ2-CD2 4.3Å; W303-L325 PolarHBondContact NE1-O 3.28Å; W303-T332 HydrophobicContact CH2-CG2 3.89Å; W303-T332 VanDerWaalsContact CH2-OG1 3.29Å; W303-T332 WeakPolarHBondContact CH2-OG1 2.97Å; W303-T332 HydrophobicContact CZ2-CG2 4.45Å; W303-T332 WeakPolarHBondContact CZ2-OG1 3.27Å; W303-T332 HydrophobicContact CZ3-CG2 4.48Å; W303-I416 HydrophobicContact CH2-CG2 3.58Å; W303-I416 HydrophobicContact CZ2-CG2 4.24Å; W303-I416 HydrophobicContact CZ3-CG2 4.23Å; W303-L439 WeakPolarHBondContact CA-O 3.41Å; W303-F440 AromaticContact CD2-CD2 3.67Å; W303-F440 HydrophobicContact CD2-CD2 3.67Å; W303-F440 HydrophobicContact CD2-CE2 4.12Å; W303-F440 AromaticContact CE2-CD2 3.86Å; W303-F440 AromaticContact CE2-CE2 3.93Å; W303-F440 HydrophobicContact CE3-CB 4.38Å; W303-F440 AromaticContact CE3-CD2 3.81Å; W303-F440 HydrophobicContact CE3-CD2 3.81Å; W303-F440 HydrophobicContact CG-CD2 4.12Å; W303-F440 HydrophobicContact CG-CE2 4.34Å; W303-F440 HydrophobicContact CH2-CD2 4.3Å; W303-F440 HydrophobicContact CZ2-CD2 4.19Å; W303-F440 HydrophobicContact CZ2-CE2 4.33Å; W303-F440 HydrophobicContact CZ3-CB 4.29Å; W303-F440 HydrophobicContact CZ3-CD2 4.12Å
304	S	96.8	Very high	92.1	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.007	15%	0.152	C	C	.	.			trans	-67.2	158.2	178.3	65.6	0	0	0	0	111.3	R302 Y306 G307 R308 Q438 L439	R302-S304 PolarHBondContact O-N 3.39Å; S304-Y306 PolarHBondContact O-N 2.94Å; S304-G307 PolarHBondContact O-N 3.07Å; S304-G307 WeakPolarHBondContact OG-CA 3.4Å; S304-G307 PolarHBondContact OG-N 2.99Å; S304-R308 VanDerWaalsContact O-CG 3.29Å; S304-R308 WeakPolarHBondContact O-CG 3.47Å; S304-R308 PolarHBondContact O-N 2.88Å; S304-Q438 VanDerWaalsContact CB-O 3.29Å; S304-Q438 WeakPolarHBondContact CB-O 3.46Å; S304-Q438 PolarHBondContact OG-O 2.86Å; S304-L439 PolarHBondContact N-O 3.26Å; S304-L439 WeakPolarHBondContact OG-CA 3.32Å; S304-L439 PolarHBondContact OG-O 3.43Å
305	L	96.4	Very high	92.8	Very high	19 Å²	19	23.1 Å²	23.1	10%	0.099	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-34.2	175.7	-177.1	58.8	0	0	0	111.3	L214 T215 Q216 K219 R308 L309	L214-L305 HydrophobicContact CD2-CG 4.3Å; L214-L305 HydrophobicContact CG-CD2 4.24Å; L214-L305 HydrophobicContact CG-CG 4.27Å; L214-L305 WeakPolarHBondContact O-CB 3.34Å; T215-L305 VanDerWaalsContact C-CD2 3.47Å; T215-L305 WeakPolarHBondContact O-CD2 3.37Å; Q216-L305 HydrophobicContact CG-CD2 4.3Å; K219-L305 HydrophobicContact CB-CD2 4.06Å; K219-L305 HydrophobicContact CD-CD1 4.03Å; K219-L305 HydrophobicContact CD-CD2 3.89Å; K219-L305 HydrophobicContact CD-CG 4.25Å; L305-R308 PolarHBondContact O-N 3.38Å; L305-L309 PolarHBondContact O-N 3.1Å
306	Y	96.4	Very high	93.5	Very high	23 Å²	23	22.3 Å²	22.3	9%	0.09	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-53.5	168.8	172.6	-106	0	0	0	111.8	I194 V201 H202 V212 S304 R308 L309 Y310 L439	I194-Y306 HydrophobicContact CG2-CD2 4.31Å; I194-Y306 HydrophobicContact CG2-CE2 3.92Å; V201-Y306 HydrophobicContact CG2-CD2 4Å; V201-Y306 HydrophobicContact CG2-CE2 3.9Å; H202-Y306 AromaticContact NE2-CZ 3.99Å; V212-Y306 HydrophobicContact CG1-CD1 3.79Å; V212-Y306 HydrophobicContact CG1-CD2 3.72Å; V212-Y306 HydrophobicContact CG1-CE1 4.32Å; V212-Y306 HydrophobicContact CG1-CE2 4.27Å; V212-Y306 HydrophobicContact CG1-CG 3.45Å; V212-Y306 VanDerWaalsContact CG1-CG 3.45Å; V212-Y306 HydrophobicContact CG2-CE1 4.46Å; S304-Y306 PolarHBondContact O-N 2.94Å; Y306-R308 PolarHBondContact O-N 3.49Å; Y306-L309 WeakPolarHBondContact O-CA 3.5Å; Y306-L309 PolarHBondContact O-N 3.4Å; Y306-Y310 HydrophobicContact CE1-CG 4.39Å; Y306-Y310 WeakPolarHBondContact O-CB 3.24Å; Y306-Y310 PolarHBondContact O-N 2.91Å; Y306-L439 HydrophobicContact CD1-CD2 3.84Å; Y306-L439 HydrophobicContact CE1-CD2 3.67Å
307	G	95.6	Very high	94.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-56.9	-36	178.5	0	0	0	0	0	112.8	S304 L309 Y310 L311	S304-G307 PolarHBondContact O-N 3.07Å; S304-G307 WeakPolarHBondContact OG-CA 3.4Å; S304-G307 PolarHBondContact OG-N 2.99Å; G307-L309 VanDerWaalsContact C-N 3.25Å; G307-L309 PolarHBondContact O-N 3.41Å; G307-Y310 PolarHBondContact O-N 3.49Å; G307-L311 VanDerWaalsContact O-CB 3.22Å; G307-L311 WeakPolarHBondContact O-CB 3.35Å; G307-L311 WeakPolarHBondContact O-CG 3.46Å; G307-L311 PolarHBondContact O-N 3.41Å
308	R	96.8	Very high	94.7	Very high	89 Å²	89	21.2 Å²	21.2	34%	0.336	11%	0.107	S	C	.	.	H	α-helix	trans	-70	-11.3	174.3	-68.9	-178.4	75.8	154.4	10.1	115.3	W303 S304 L305 Y306 R312 L321 L325	W303-R308 HydrophobicContact CB-CG 4.15Å; S304-R308 VanDerWaalsContact O-CG 3.29Å; S304-R308 WeakPolarHBondContact O-CG 3.47Å; S304-R308 PolarHBondContact O-N 2.88Å; L305-R308 PolarHBondContact O-N 3.38Å; Y306-R308 PolarHBondContact O-N 3.49Å; R308-R312 WeakPolarHBondContact O-CB 3.29Å; R308-L321 WeakPolarHBondContact O-CD2 3.38Å; R308-L325 HydrophobicContact CG-CD1 3.9Å
309	L	96.2	Very high	95.1	Very high	11 Å²	11	22.3 Å²	22.3	6%	0.058	11%	0.111	C	C	.	.	H	α-helix	trans	-103.7	-40.5	169.8	-65.8	-180	0	0	0	111.5	V191 I194 L214 L305 Y306 G307 R312	V191-L309 HydrophobicContact CG2-CD2 4.44Å; I194-L309 HydrophobicContact CG1-CB 4.25Å; I194-L309 HydrophobicContact CG1-CD1 4.06Å; I194-L309 HydrophobicContact CG2-CB 4.49Å; L214-L309 HydrophobicContact CD2-CD1 3.82Å; L305-L309 PolarHBondContact O-N 3.1Å; Y306-L309 WeakPolarHBondContact O-CA 3.5Å; Y306-L309 PolarHBondContact O-N 3.4Å; G307-L309 VanDerWaalsContact C-N 3.25Å; G307-L309 PolarHBondContact O-N 3.41Å; L309-R312 PolarHBondContact O-N 2.82Å
310	Y	95.9	Very high	95.5	Very high	27 Å²	27	21.2 Å²	21.2	11%	0.106	10%	0.096	C	C	.	.	H	α-helix	trans	-60.3	-52.9	176.9	-179	-98.8	0	0	0	111.7	Y306 G307 R312 L439 N521 K523	Y306-Y310 HydrophobicContact CE1-CG 4.39Å; Y306-Y310 WeakPolarHBondContact O-CB 3.24Å; Y306-Y310 PolarHBondContact O-N 2.91Å; G307-Y310 PolarHBondContact O-N 3.49Å; Y310-R312 VanDerWaalsContact C-N 3.26Å; Y310-R312 PolarHBondContact O-N 3.35Å; Y310-L439 HydrophobicContact CD1-CD1 4.15Å; Y310-L439 HydrophobicContact CD1-CD2 3.74Å; Y310-L439 HydrophobicContact CE1-CD1 4.31Å; Y310-L439 HydrophobicContact CE1-CD2 4.44Å; Y310-L439 HydrophobicContact CG-CD2 4.21Å; Y310-N521 PolarHBondContact OH-ND2 3.39Å; Y310-K523 PolarHBondContact O-NZ 3.35Å
311	L	96.4	Very high	95.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-5.5	-178.6	-60.4	175.6	0	0	0	114.1	W303 G307 R324 L325 I416 Y418 L439	W303-L311 HydrophobicContact CE3-CD1 3.96Å; W303-L311 HydrophobicContact CH2-CD1 4.47Å; W303-L311 HydrophobicContact CZ3-CD1 3.7Å; G307-L311 VanDerWaalsContact O-CB 3.22Å; G307-L311 WeakPolarHBondContact O-CB 3.35Å; G307-L311 WeakPolarHBondContact O-CG 3.46Å; G307-L311 PolarHBondContact O-N 3.41Å; L311-R324 PolarHBondContact O-NH2 2.66Å; L311-L325 HydrophobicContact CD1-CD2 3.82Å; L311-I416 HydrophobicContact CD1-CB 4.16Å; L311-I416 HydrophobicContact CD1-CG2 4.2Å; L311-I416 HydrophobicContact CD2-CB 4.1Å; L311-I416 HydrophobicContact CD2-CD1 4.08Å; L311-I416 HydrophobicContact CD2-CG1 4.41Å; L311-Y418 VanDerWaalsContact O-CD2 3.23Å; L311-Y418 WeakPolarHBondContact O-CD2 3.31Å; L311-Y418 WeakPolarHBondContact O-CE2 3.19Å; L311-L439 HydrophobicContact CD1-CD1 4.4Å; L311-L439 HydrophobicContact CD2-CD1 4.02Å; L311-L439 HydrophobicContact CG-CD1 4.35Å
312	R	97.5	Very high	95.9	Very high	10 Å²	10	24.1 Å²	24.1	4%	0.038	10%	0.104	C	C	.	.	P	Polyproline II helix	trans	-82.6	129.2	-174.8	-177	178.8	-170	139.4	3.3	111.3	V191 R308 L309 Y310 E316 N318 L321 K523	V191-R312 WeakPolarHBondContact CG1-O 3.48Å; V191-R312 HydrophobicContact CG2-CB 4.14Å; V191-R312 HydrophobicContact CG2-CG 4.11Å; R308-R312 WeakPolarHBondContact O-CB 3.29Å; L309-R312 PolarHBondContact O-N 2.82Å; Y310-R312 VanDerWaalsContact C-N 3.26Å; Y310-R312 PolarHBondContact O-N 3.35Å; R312-E316 WeakPolarHBondContact CA-OE2 3.46Å; R312-E316 HydrophobicContact CG-CB 4.23Å; R312-E316 VanDerWaalsContact CZ-O 3.3Å; R312-E316 PolarHBondContact NE-O 3.18Å; R312-E316 PolarHBondContact NH2-O 2.94Å; R312-N318 PolarHBondContact NH1-OD1 2.87Å; R312-N318 PolarHBondContact NH2-OD1 3.18Å; R312-L321 HydrophobicContact CB-CD1 4.19Å; R312-L321 HydrophobicContact CB-CD2 4.19Å; R312-L321 HydrophobicContact CG-CD1 4.45Å; R312-L321 HydrophobicContact CG-CD2 4.1Å; R312-K523 WeakPolarHBondContact O-CE 3.44Å; R312-K523 PolarHBondContact O-NZ 2.93Å
313	H	97.1	Very high	95.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.108	C	C	.	.	P	Polyproline II helix	trans	-70.5	157	172.6	-49.8	77.5	0	0	0	110.8	E316 R324 H417 Y418 L526 S527	H313-E316 HydrophobicContact CB-CB 4.05Å; H313-E316 IonicContact CE1-OE2 2.68Å; H313-E316 IonicContact CG-OE2 3.83Å; H313-E316 PolarHBondContact N-OE2 2.91Å; H313-E316 VanDerWaalsContact ND1-CD 3.34Å; H313-E316 IonicContact ND1-OE1 3.49Å; H313-E316 IonicContact ND1-OE2 3.78Å; H313-E316 PolarHBondContact ND1-OE2 3.28Å; H313-E316 PolarHBondContact O-N 2.84Å; H313-R324 PolarHBondContact CE1-NH2 2.87Å; H313-R324 PolarHBondContact ND1-NH2 3.01Å; H313-H417 AromaticContact CE1-CE1 3.84Å; H313-H417 AromaticContact CE1-CG 4Å; H313-H417 AromaticContact CE1-ND1 3.1Å; H313-H417 PolarHBondContact CE1-ND1 3.36Å; H313-H417 AromaticContact NE2-CE1 3.93Å; H313-H417 AromaticContact NE2-CG 3.81Å; H313-H417 AromaticContact NE2-ND1 2.94Å; H313-H417 PolarHBondContact NE2-ND1 3.48Å; H313-Y418 AromaticContact CD2-CE2 3.7Å; H313-Y418 AromaticContact CD2-CZ 3.68Å; H313-Y418 PolarHBondContact CD2-OH 3.31Å; H313-Y418 AromaticContact CE1-CE2 3.97Å; H313-Y418 AromaticContact CG-CE2 3.91Å; H313-Y418 AromaticContact NE2-CE2 3.76Å; H313-L526 PolarHBondContact CD2-O 3.42Å; H313-S527 WeakPolarHBondContact CA-OG 3.39Å; H313-S527 WeakPolarHBondContact CB-OG 3.41Å
314	F	97.2	Very high	95.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	139.1	164.9	-64.6	-64.8	0	0	0	109.7	N188 V191 A192 E316 F492 M495 K523 S527	N188-F314 HydrophobicContact CB-CD1 4.49Å; V191-F314 HydrophobicContact CB-CD1 4.47Å; V191-F314 HydrophobicContact CB-CE1 4.11Å; V191-F314 HydrophobicContact CG1-CD1 4.04Å; V191-F314 HydrophobicContact CG1-CE1 3.67Å; V191-F314 HydrophobicContact CG1-CZ 4.16Å; A192-F314 HydrophobicContact CB-CE1 3.91Å; A192-F314 HydrophobicContact CB-CZ 4.12Å; F314-E316 PolarHBondContact O-N 3.3Å; F314-F492 HydrophobicContact CD1-CB 4.23Å; F314-F492 HydrophobicContact CD2-CB 4.2Å; F314-F492 HydrophobicContact CE1-CB 3.75Å; F314-F492 HydrophobicContact CE2-CB 3.71Å; F314-F492 HydrophobicContact CE2-CG 4.4Å; F314-F492 HydrophobicContact CG-CB 4.44Å; F314-F492 HydrophobicContact CZ-CB 3.47Å; F314-F492 VanDerWaalsContact CZ-CB 3.47Å; F314-F492 HydrophobicContact CZ-CG 4.04Å; F314-M495 HydrophobicContact CB-CG 4.46Å; F314-K523 HydrophobicContact CD2-CG 4.2Å; F314-K523 HydrophobicContact CE2-CD 4.2Å; F314-K523 HydrophobicContact CE2-CG 3.8Å; F314-S527 PolarHBondContact N-OG 3.46Å
315	N	96.4	Very high	95.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	23.2	-177	-50.4	-46	0	0	0	115.8	Y180 H181 N188 A493 M495 F531	Y180-N315 HydrophobicContact CD1-CB 4.34Å; Y180-N315 WeakPolarHBondContact CD1-O 3.44Å; Y180-N315 VanDerWaalsContact CE1-O 3.26Å; Y180-N315 WeakPolarHBondContact CE1-O 3.31Å; H181-N315 PolarHBondContact CD2-OD1 2.81Å; N188-N315 PolarHBondContact ND2-OD1 3.16Å; N188-N315 PolarHBondContact OD1-N 3.16Å; N315-A493 PolarHBondContact ND2-O 2.86Å; N315-M495 PolarHBondContact ND2-SD 2.72Å; N315-F531 HydrophobicContact CB-CD2 3.74Å; N315-F531 HydrophobicContact CB-CE2 3.93Å
316	E	96.1	Very high	95.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.12	C	C	.	.			trans	-85.4	129	168.9	-174.9	176.1	-162.5	0	0	110.5	L184 R312 H313 F314 E320 L321 R324	L184-E316 WeakPolarHBondContact CD1-O 3.4Å; R312-E316 WeakPolarHBondContact CA-OE2 3.46Å; R312-E316 HydrophobicContact CG-CB 4.23Å; R312-E316 VanDerWaalsContact CZ-O 3.3Å; R312-E316 PolarHBondContact NE-O 3.18Å; R312-E316 PolarHBondContact NH2-O 2.94Å; H313-E316 HydrophobicContact CB-CB 4.05Å; H313-E316 IonicContact CE1-OE2 2.68Å; H313-E316 IonicContact CG-OE2 3.83Å; H313-E316 PolarHBondContact N-OE2 2.91Å; H313-E316 VanDerWaalsContact ND1-CD 3.34Å; H313-E316 IonicContact ND1-OE1 3.49Å; H313-E316 IonicContact ND1-OE2 3.78Å; H313-E316 PolarHBondContact ND1-OE2 3.28Å; H313-E316 PolarHBondContact O-N 2.84Å; F314-E316 PolarHBondContact O-N 3.3Å; E316-E320 HydrophobicContact CG-CB 4Å; E316-L321 HydrophobicContact CG-CB 4.03Å; E316-L321 VanDerWaalsContact OE1-CA 3.25Å; E316-L321 WeakPolarHBondContact OE1-CA 3.39Å; E316-L321 PolarHBondContact OE1-N 2.92Å; E316-R324 IonicContact OE1-CZ 2.66Å; E316-R324 VanDerWaalsContact OE1-CZ 3.31Å; E316-R324 IonicContact OE1-NE 2.7Å; E316-R324 PolarHBondContact OE1-NE 2.91Å; E316-R324 IonicContact OE1-NH2 3.11Å; E316-R324 PolarHBondContact OE1-NH2 3.28Å; E316-R324 IonicContact OE2-CZ 2.7Å; E316-R324 IonicContact OE2-NH2 3.34Å; E316-R324 PolarHBondContact OE2-NH2 3.34Å
317	L	95.5	Very high	95	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.13	C	C	.	.			trans	-76.1	164.5	176.5	-69	165.1	0	0	0	111.7	Y19 W151 Y180 I183 L184 H319 E320 L321	Y19-L317 HydrophobicContact CD2-CD1 4.44Å; Y19-L317 HydrophobicContact CD2-CD2 4.13Å; Y19-L317 HydrophobicContact CE2-CB 4.11Å; Y19-L317 HydrophobicContact CE2-CD1 3.94Å; Y19-L317 HydrophobicContact CE2-CD2 3.79Å; Y19-L317 HydrophobicContact CE2-CG 4.17Å; W151-L317 HydrophobicContact CG-CD1 4.47Å; W151-L317 VanDerWaalsContact NE1-CD1 3.35Å; Y180-L317 HydrophobicContact CD1-CD1 3.99Å; Y180-L317 HydrophobicContact CD1-CD2 4.16Å; Y180-L317 HydrophobicContact CD1-CG 3.72Å; Y180-L317 HydrophobicContact CE1-CD1 3.41Å; Y180-L317 VanDerWaalsContact CE1-CD1 3.41Å; Y180-L317 HydrophobicContact CE1-CD2 4.37Å; Y180-L317 HydrophobicContact CE1-CG 3.47Å; Y180-L317 VanDerWaalsContact CE1-CG 3.47Å; I183-L317 HydrophobicContact CB-CD2 4.33Å; I183-L317 HydrophobicContact CD1-CD2 4.26Å; I183-L317 HydrophobicContact CG2-CD2 3.75Å; L184-L317 HydrophobicContact CD1-CD2 4Å; L184-L317 HydrophobicContact CD1-CG 4.38Å; L184-L317 HydrophobicContact CD2-CD2 4.18Å; L184-L317 HydrophobicContact CG-CD2 4.11Å; L317-H319 VanDerWaalsContact C-N 3.3Å; L317-H319 PolarHBondContact O-N 3.37Å; L317-E320 HydrophobicContact CB-CG 4.16Å; L317-E320 WeakPolarHBondContact CB-OE2 3.41Å; L317-E320 PolarHBondContact N-OE2 3.46Å; L317-E320 PolarHBondContact O-N 3.26Å; L317-L321 PolarHBondContact O-N 3.02Å; L317-L321 VanDerWaalsContact O-N 3.14Å
318	N	94.6	Very high	94.8	Very high	36 Å²	36	25.1 Å²	25.1	19%	0.193	13%	0.13	C	C	.	.	H	α-helix	trans	-67.9	-30.3	-173.3	-56.2	-44.5	0	0	0	113	Y19 K187 R312 H322	Y19-N318 PolarHBondContact OH-N 2.81Å; K187-N318 PolarHBondContact NZ-ND2 3.17Å; K187-N318 PolarHBondContact NZ-OD1 3.1Å; R312-N318 PolarHBondContact NH1-OD1 2.87Å; R312-N318 PolarHBondContact NH2-OD1 3.18Å; N318-H322 WeakPolarHBondContact O-CB 3.44Å; N318-H322 PolarHBondContact O-N 3.35Å; N318-H322 VanDerWaalsContact O-N 3.14Å
319	H	92.8	Very high	94.6	Very high	53 Å²	53	24.9 Å²	24.9	25%	0.245	13%	0.129	C	C	.	.	H	α-helix	trans	-79.8	-34.7	179.8	70.9	-82.4	0	0	0	112.1	Y19 Q23 W151 L317 H322 G323	Y19-H319 AromaticContact CE2-CE1 3.91Å; Y19-H319 AromaticContact CE2-ND1 3.56Å; Y19-H319 AromaticContact CZ-ND1 3.71Å; Y19-H319 PolarHBondContact OH-N 2.71Å; Y19-H319 PolarHBondContact OH-ND1 3.43Å; Q23-H319 PolarHBondContact NE2-ND1 3.49Å; Q23-H319 VanDerWaalsContact OE1-CB 3.28Å; W151-H319 AromaticContact CD1-CE1 3.9Å; W151-H319 AromaticContact CG-CE1 3.92Å; L317-H319 VanDerWaalsContact C-N 3.3Å; L317-H319 PolarHBondContact O-N 3.37Å; H319-H322 PolarHBondContact O-N 3.37Å; H319-G323 PolarHBondContact O-N 2.83Å
320	E	94	Very high	94.4	Very high	15 Å²	15	29.5 Å²	29.5	7%	0.07	15%	0.149	C	C	.	.	H	α-helix	trans	-61.6	-53.2	173.6	-61.9	171.5	159.5	0	0	110.4	Y180 E316 L317 H322 G323 R324 K534	Y180-E320 PolarHBondContact OH-OE1 2.98Å; E316-E320 HydrophobicContact CG-CB 4Å; L317-E320 HydrophobicContact CB-CG 4.16Å; L317-E320 WeakPolarHBondContact CB-OE2 3.41Å; L317-E320 PolarHBondContact N-OE2 3.46Å; L317-E320 PolarHBondContact O-N 3.26Å; E320-H322 PolarHBondContact O-N 3.47Å; E320-G323 PolarHBondContact O-N 3.33Å; E320-R324 WeakPolarHBondContact O-CB 3.42Å; E320-R324 PolarHBondContact O-N 3.42Å; E320-K534 VanDerWaalsContact OE1-CE 3.26Å; E320-K534 WeakPolarHBondContact OE1-CE 3.47Å
321	L	95.7	Very high	94.2	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	15%	0.15	C	C	.	.	H	α-helix	trans	-55.2	-40.7	172.3	-179.9	66.5	0	0	0	111.8	R308 R312 E316 L317 L325	R308-L321 WeakPolarHBondContact O-CD2 3.38Å; R312-L321 HydrophobicContact CB-CD1 4.19Å; R312-L321 HydrophobicContact CB-CD2 4.19Å; R312-L321 HydrophobicContact CG-CD1 4.45Å; R312-L321 HydrophobicContact CG-CD2 4.1Å; E316-L321 HydrophobicContact CG-CB 4.03Å; E316-L321 VanDerWaalsContact OE1-CA 3.25Å; E316-L321 WeakPolarHBondContact OE1-CA 3.39Å; E316-L321 PolarHBondContact OE1-N 2.92Å; L317-L321 PolarHBondContact O-N 3.02Å; L317-L321 VanDerWaalsContact O-N 3.14Å; L321-L325 HydrophobicContact CD1-CD1 3.86Å; L321-L325 HydrophobicContact CD1-CG 3.99Å; L321-L325 HydrophobicContact CG-CD1 4Å; L321-L325 HydrophobicContact CG-CG 4.37Å; L321-L325 WeakPolarHBondContact O-CB 3.3Å; L321-L325 VanDerWaalsContact O-CG 3.28Å; L321-L325 WeakPolarHBondContact O-CG 3.33Å; L321-L325 PolarHBondContact O-N 3.43Å
322	H	94.3	Very high	94	Very high	120 Å²	120	29.1 Å²	29.1	56%	0.556	15%	0.15	S	C	*	.	H	α-helix	trans	-70.1	-42.4	-179.2	-171.3	33.9	0	0	0	112.7	N318 H319 E320 R324 G326	N318-H322 WeakPolarHBondContact O-CB 3.44Å; N318-H322 PolarHBondContact O-N 3.35Å; N318-H322 VanDerWaalsContact O-N 3.14Å; H319-H322 PolarHBondContact O-N 3.37Å; E320-H322 PolarHBondContact O-N 3.47Å; H322-R324 VanDerWaalsContact C-N 3.33Å; H322-R324 PolarHBondContact O-N 3.43Å; H322-G326 WeakPolarHBondContact O-CA 3.32Å; H322-G326 PolarHBondContact O-N 2.69Å
323	G	91.3	Very high	93.8	Very high	36 Å²	36	30 Å²	30	37%	0.371	16%	0.157	S	C	.	.	H	α-helix	trans	-67	-33.3	176.4	0	0	0	0	0	112.9	H319 E320 R327	H319-G323 PolarHBondContact O-N 2.83Å; E320-G323 PolarHBondContact O-N 3.33Å; G323-R327 PolarHBondContact O-N 2.79Å; G323-R327 PolarHBondContact O-NE 2.76Å
324	R	93.3	Very high	93.5	Very high	5 Å²	5	34.9 Å²	34.9	2%	0.019	18%	0.179	C	C	.	.	H	α-helix	trans	-69.8	-52.6	173.6	-174.4	169.9	63.5	90.7	-4.4	112.6	L311 H313 E316 E320 H322 G326 R327 G328 H415 I416 H417	L311-R324 PolarHBondContact O-NH2 2.66Å; H313-R324 PolarHBondContact CE1-NH2 2.87Å; H313-R324 PolarHBondContact ND1-NH2 3.01Å; E316-R324 IonicContact OE1-CZ 2.66Å; E316-R324 VanDerWaalsContact OE1-CZ 3.31Å; E316-R324 IonicContact OE1-NE 2.7Å; E316-R324 PolarHBondContact OE1-NE 2.91Å; E316-R324 IonicContact OE1-NH2 3.11Å; E316-R324 PolarHBondContact OE1-NH2 3.28Å; E316-R324 IonicContact OE2-CZ 2.7Å; E316-R324 IonicContact OE2-NH2 3.34Å; E316-R324 PolarHBondContact OE2-NH2 3.34Å; E320-R324 WeakPolarHBondContact O-CB 3.42Å; E320-R324 PolarHBondContact O-N 3.42Å; H322-R324 VanDerWaalsContact C-N 3.33Å; H322-R324 PolarHBondContact O-N 3.43Å; R324-G326 PolarHBondContact O-N 3.12Å; R324-R327 PolarHBondContact O-N 2.83Å; R324-G328 PolarHBondContact O-N 2.83Å; R324-H415 VanDerWaalsContact CD-O 3.27Å; R324-H415 WeakPolarHBondContact CD-O 3.31Å; R324-H415 WeakPolarHBondContact CG-O 3.43Å; R324-H415 PolarHBondContact NH1-O 3.2Å; R324-H415 VanDerWaalsContact NH1-O 3.16Å; R324-I416 VanDerWaalsContact NH1-C 3.26Å; R324-I416 PolarHBondContact NH1-O 3.2Å; R324-H417 VanDerWaalsContact CD-CE1 3.41Å; R324-H417 WeakPolarHBondContact CD-CE1 3.33Å
325	L	94.5	Very high	93.3	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.021	18%	0.179	C	C	.	.	H	α-helix	trans	-65.3	-24.8	174.8	-65.8	-175.7	0	0	0	112.8	W303 R308 L311 L321 Y329	W303-L325 HydrophobicContact CB-CD1 4.29Å; W303-L325 HydrophobicContact CD2-CB 4.41Å; W303-L325 HydrophobicContact CD2-CD1 4.41Å; W303-L325 HydrophobicContact CD2-CD2 4.08Å; W303-L325 HydrophobicContact CE3-CD2 4.31Å; W303-L325 HydrophobicContact CG-CB 4.22Å; W303-L325 HydrophobicContact CG-CD1 4.09Å; W303-L325 HydrophobicContact CZ2-CD2 4.3Å; W303-L325 PolarHBondContact NE1-O 3.28Å; R308-L325 HydrophobicContact CG-CD1 3.9Å; L311-L325 HydrophobicContact CD1-CD2 3.82Å; L321-L325 HydrophobicContact CD1-CD1 3.86Å; L321-L325 HydrophobicContact CD1-CG 3.99Å; L321-L325 HydrophobicContact CG-CD1 4Å; L321-L325 HydrophobicContact CG-CG 4.37Å; L321-L325 WeakPolarHBondContact O-CB 3.3Å; L321-L325 VanDerWaalsContact O-CG 3.28Å; L321-L325 WeakPolarHBondContact O-CG 3.33Å; L321-L325 PolarHBondContact O-N 3.43Å; L325-Y329 PolarHBondContact O-N 3.35Å; L325-Y329 VanDerWaalsContact O-N 3.09Å
326	G	93.8	Very high	93.1	Very high	39 Å²	39	35.1 Å²	35.1	40%	0.402	18%	0.18	S	C	.	.	H	α-helix	trans	-64.8	-48.9	172.9	0	0	0	0	0	112.1	H322 R324 Y329	H322-G326 WeakPolarHBondContact O-CA 3.32Å; H322-G326 PolarHBondContact O-N 2.69Å; R324-G326 PolarHBondContact O-N 3.12Å; G326-Y329 VanDerWaalsContact O-CB 3.23Å; G326-Y329 WeakPolarHBondContact O-CB 3.49Å; G326-Y329 PolarHBondContact O-N 3.23Å
327	R	89.8	Confident	92.8	Very high	81 Å²	81	39.1 Å²	39.1	31%	0.306	20%	0.201	S	C	.	.	H	α-helix	trans	-63.2	-45.5	173.8	-75.8	170	-70.8	176	9.5	111.9	G323 R324 Y329 P331 S685	G323-R327 PolarHBondContact O-N 2.79Å; G323-R327 PolarHBondContact O-NE 2.76Å; R324-R327 PolarHBondContact O-N 2.83Å; R327-Y329 PolarHBondContact O-N 3.39Å; R327-Y329 VanDerWaalsContact O-N 3.09Å; R327-P331 VanDerWaalsContact O-CD 3.3Å; R327-P331 WeakPolarHBondContact O-CD 3.34Å; R327-S685 PolarHBondContact NH1-OG 3.42Å; R327-S685 PolarHBondContact NH2-OG 3.12Å
328	G	91.4	Very high	92.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.3	-14.8	175	0	0	0	0	0	115.4	R324 P331 T332	R324-G328 PolarHBondContact O-N 2.83Å; G328-P331 WeakPolarHBondContact O-CD 3.49Å; G328-P331 WeakPolarHBondContact O-CG 3.29Å; G328-T332 WeakPolarHBondContact O-CB 3.22Å; G328-T332 PolarHBondContact O-N 3.5Å; G328-T332 VanDerWaalsContact O-N 3.15Å; G328-T332 PolarHBondContact O-OG1 3.13Å
329	Y	93.8	Very high	92.2	Very high	83 Å²	83	39.7 Å²	39.7	33%	0.325	20%	0.204	S	C	.	.	H	α-helix	trans	-63	-48.7	-176.6	-178.2	-88.9	0	0	0	112.8	R301 L325 G326 R327 T332 S333 F440	R301-Y329 WeakPolarHBondContact O-CE2 3.49Å; R301-Y329 PolarHBondContact O-OH 3.34Å; L325-Y329 PolarHBondContact O-N 3.35Å; L325-Y329 VanDerWaalsContact O-N 3.09Å; G326-Y329 VanDerWaalsContact O-CB 3.23Å; G326-Y329 WeakPolarHBondContact O-CB 3.49Å; G326-Y329 PolarHBondContact O-N 3.23Å; R327-Y329 PolarHBondContact O-N 3.39Å; R327-Y329 VanDerWaalsContact O-N 3.09Å; Y329-T332 PolarHBondContact O-N 3.31Å; Y329-S333 VanDerWaalsContact O-CB 3.3Å; Y329-S333 WeakPolarHBondContact O-CB 3.41Å; Y329-S333 PolarHBondContact O-N 3.08Å; Y329-F440 AromaticContact CD2-CE2 3.62Å; Y329-F440 HydrophobicContact CD2-CE2 3.62Å; Y329-F440 AromaticContact CD2-CZ 3.65Å; Y329-F440 HydrophobicContact CD2-CZ 3.65Å; Y329-F440 AromaticContact CE2-CE2 3.79Å; Y329-F440 HydrophobicContact CE2-CE2 3.79Å; Y329-F440 AromaticContact CE2-CZ 3.58Å; Y329-F440 HydrophobicContact CE2-CZ 3.58Å; Y329-F440 HydrophobicContact CG-CZ 4.36Å
330	K	91.3	Very high	91.8	Very high	109 Å²	109	40.4 Å²	40.4	47%	0.474	21%	0.212	S	C	.	.	H	α-helix	trans	-61.4	-52.2	-178.5	-69.5	-172	-177.7	-172.7	0	112.9	T332 S333 K334 E582	K330-T332 PolarHBondContact O-N 3.1Å; K330-S333 PolarHBondContact O-N 3.02Å; K330-K334 PolarHBondContact O-N 3.24Å; K330-E582 IonicContact NZ-OE1 3.68Å; K330-E582 PolarHBondContact NZ-OE1 3.33Å; K330-E582 IonicContact NZ-OE2 2.67Å; K330-E582 PolarHBondContact NZ-OE2 3.34Å
331	P	90.5	Very high	91.5	Very high	18 Å²	18	42.7 Å²	42.7	12%	0.117	23%	0.229	C	C	.	.	H	α-helix	trans	-64.2	-38.5	177.9	22.3	-30.9	0	0	0	112.4	R327 G328 S333 K334 Y335 C411 V412	R327-P331 VanDerWaalsContact O-CD 3.3Å; R327-P331 WeakPolarHBondContact O-CD 3.34Å; G328-P331 WeakPolarHBondContact O-CD 3.49Å; G328-P331 WeakPolarHBondContact O-CG 3.29Å; P331-S333 VanDerWaalsContact C-N 3.33Å; P331-S333 PolarHBondContact O-N 2.85Å; P331-K334 PolarHBondContact O-N 3.03Å; P331-Y335 WeakPolarHBondContact O-CB 3.27Å; P331-Y335 PolarHBondContact O-N 3.46Å; P331-C411 HydrophobicContact CB-CB 3.91Å; P331-V412 HydrophobicContact CB-CG2 4.11Å
332	T	93.9	Very high	91.2	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.006	26%	0.26	C	S	.	.	H	α-helix	trans	-65.6	-37.2	177.3	-45.6	0	0	0	0	111.7	W303 G328 Y329 K330 Y335 M336 V412 V436 F440	W303-T332 HydrophobicContact CH2-CG2 3.89Å; W303-T332 VanDerWaalsContact CH2-OG1 3.29Å; W303-T332 WeakPolarHBondContact CH2-OG1 2.97Å; W303-T332 HydrophobicContact CZ2-CG2 4.45Å; W303-T332 WeakPolarHBondContact CZ2-OG1 3.27Å; W303-T332 HydrophobicContact CZ3-CG2 4.48Å; G328-T332 WeakPolarHBondContact O-CB 3.22Å; G328-T332 PolarHBondContact O-N 3.5Å; G328-T332 VanDerWaalsContact O-N 3.15Å; G328-T332 PolarHBondContact O-OG1 3.13Å; Y329-T332 PolarHBondContact O-N 3.31Å; K330-T332 PolarHBondContact O-N 3.1Å; T332-Y335 PolarHBondContact O-N 2.6Å; T332-M336 WeakPolarHBondContact O-CG 3.3Å; T332-M336 PolarHBondContact O-N 3.13Å; T332-V412 VanDerWaalsContact CA-CG2 3.49Å; T332-V412 HydrophobicContact CG2-CG2 4.4Å; T332-V412 WeakPolarHBondContact OG1-CG2 3.28Å; T332-V436 HydrophobicContact CG2-CG1 4.24Å; T332-F440 HydrophobicContact CG2-CB 3.95Å; T332-F440 HydrophobicContact CG2-CD1 3.48Å; T332-F440 VanDerWaalsContact CG2-CD1 3.48Å; T332-F440 HydrophobicContact CG2-CD2 4.25Å; T332-F440 HydrophobicContact CG2-CE1 3.97Å; T332-F440 HydrophobicContact CG2-CG 3.65Å
333	S	92.9	Very high	91.1	Very high	27 Å²	27	47.7 Å²	47.7	19%	0.189	27%	0.265	C	S	.	.	H	α-helix	trans	-63.4	-45.7	173.3	-165.6	0	0	0	0	111.9	Y329 K330 P331 Y335 M336 N337	Y329-S333 VanDerWaalsContact O-CB 3.3Å; Y329-S333 WeakPolarHBondContact O-CB 3.41Å; Y329-S333 PolarHBondContact O-N 3.08Å; K330-S333 PolarHBondContact O-N 3.02Å; P331-S333 VanDerWaalsContact C-N 3.33Å; P331-S333 PolarHBondContact O-N 2.85Å; S333-Y335 PolarHBondContact O-N 3.4Å; S333-M336 PolarHBondContact O-N 2.9Å; S333-N337 VanDerWaalsContact O-CB 3.29Å; S333-N337 WeakPolarHBondContact O-CB 3.43Å; S333-N337 PolarHBondContact O-N 3.29Å; S333-N337 PolarHBondContact O-OD1 2.96Å
334	K	90.3	Very high	91	Very high	104 Å²	104	49.6 Å²	49.6	45%	0.452	27%	0.266	S	S	.	.	H	α-helix	trans	-60.7	-44.7	175.2	-71.9	-176.5	178	-174.6	0	112.3	K330 P331 N337 S338 L408	K330-K334 PolarHBondContact O-N 3.24Å; P331-K334 PolarHBondContact O-N 3.03Å; K334-N337 PolarHBondContact O-N 3.33Å; K334-S338 PolarHBondContact O-N 3.2Å; K334-S338 VanDerWaalsContact O-N 3.11Å; K334-S338 PolarHBondContact O-OG 3.06Å; K334-L408 HydrophobicContact CB-CD1 4.47Å; K334-L408 HydrophobicContact CB-CD2 3.94Å; K334-L408 HydrophobicContact CD-CD2 4.46Å
335	Y	92.3	Very high	90.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-57	-55.1	174.5	176.5	-98.1	0	0	0	111.1	P331 T332 S333 N337 S338 F339 P405 L408 L409 A427 V436	P331-Y335 WeakPolarHBondContact O-CB 3.27Å; P331-Y335 PolarHBondContact O-N 3.46Å; T332-Y335 PolarHBondContact O-N 2.6Å; S333-Y335 PolarHBondContact O-N 3.4Å; Y335-N337 VanDerWaalsContact C-N 3.31Å; Y335-N337 PolarHBondContact O-N 2.92Å; Y335-S338 VanDerWaalsContact O-CB 3.29Å; Y335-S338 WeakPolarHBondContact O-CB 3.49Å; Y335-S338 PolarHBondContact O-N 3.39Å; Y335-S338 VanDerWaalsContact O-N 3.08Å; Y335-F339 HydrophobicContact CD1-CE2 4.29Å; Y335-F339 HydrophobicContact CD2-CE2 4.06Å; Y335-F339 HydrophobicContact CE1-CD2 4.5Å; Y335-F339 AromaticContact CE1-CE2 3.92Å; Y335-F339 HydrophobicContact CE1-CE2 3.92Å; Y335-F339 AromaticContact CE2-CE2 3.67Å; Y335-F339 HydrophobicContact CE2-CE2 3.67Å; Y335-F339 HydrophobicContact CE2-CZ 4.12Å; Y335-F339 HydrophobicContact CG-CE2 4.36Å; Y335-F339 AromaticContact CZ-CE2 3.6Å; Y335-F339 WeakPolarHBondContact O-CD2 3.38Å; Y335-F339 WeakPolarHBondContact O-CE2 3.29Å; Y335-P405 HydrophobicContact CE2-CB 4.22Å; Y335-L408 HydrophobicContact CD2-CB 4.06Å; Y335-L409 HydrophobicContact CD2-CB 4.15Å; Y335-L409 HydrophobicContact CE1-CD1 4.44Å; Y335-L409 HydrophobicContact CE2-CB 3.88Å; Y335-L409 HydrophobicContact CE2-CD1 4.14Å; Y335-L409 HydrophobicContact CE2-CG 4.43Å; Y335-A427 HydrophobicContact CE2-CB 4.36Å; Y335-A427 PolarHBondContact OH-O 3.14Å; Y335-V436 HydrophobicContact CD1-CG1 4.11Å; Y335-V436 HydrophobicContact CE1-CB 4.11Å; Y335-V436 HydrophobicContact CE1-CG1 3.99Å; Y335-V436 HydrophobicContact CE1-CG2 3.91Å
336	M	93.1	Very high	90.9	Very high	5 Å²	5	54 Å²	54	3%	0.025	30%	0.295	C	S	.	.	H	α-helix	trans	-66.6	-31	-177.7	-66.8	-52.8	-71	0	0	113.6	T332 S333 S338 F339 R433 V436 A437 F440	T332-M336 WeakPolarHBondContact O-CG 3.3Å; T332-M336 PolarHBondContact O-N 3.13Å; S333-M336 PolarHBondContact O-N 2.9Å; M336-S338 VanDerWaalsContact C-N 3.29Å; M336-F339 PolarHBondContact O-N 3.31Å; M336-R433 HydrophobicContact CE-CG 3.79Å; M336-R433 WeakPolarHBondContact CE-O 3.34Å; M336-R433 HydrophobicContact SD-CG 4.37Å; M336-V436 HydrophobicContact CG-CG1 4.2Å; M336-V436 HydrophobicContact SD-CB 3.96Å; M336-V436 HydrophobicContact SD-CG1 3.46Å; M336-V436 WeakPolarHBondContact SD-CG1 3.27Å; M336-A437 HydrophobicContact CE-CB 3.81Å; M336-F440 HydrophobicContact CG-CD1 4.04Å
337	N	89.9	Confident	91	Very high	84 Å²	84	56.7 Å²	56.7	45%	0.449	30%	0.3	S	S	.	.	H	α-helix	trans	-72.4	-22	175.2	-70.7	-4.1	0	0	0	112.6	S333 K334 Y335 F339 T340 M401	S333-N337 VanDerWaalsContact O-CB 3.29Å; S333-N337 WeakPolarHBondContact O-CB 3.43Å; S333-N337 PolarHBondContact O-N 3.29Å; S333-N337 PolarHBondContact O-OD1 2.96Å; K334-N337 PolarHBondContact O-N 3.33Å; Y335-N337 VanDerWaalsContact C-N 3.31Å; Y335-N337 PolarHBondContact O-N 2.92Å; N337-F339 PolarHBondContact O-N 2.69Å; N337-T340 WeakPolarHBondContact O-CG2 3.45Å; N337-M401 HydrophobicContact CB-SD 4.17Å; N337-M401 VanDerWaalsContact O-CE 3.24Å; N337-M401 WeakPolarHBondContact O-CE 3.35Å
338	S	89.3	Confident	91.2	Very high	10 Å²	10	53.1 Å²	53.1	7%	0.07	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-16.6	173.8	-59.6	0	0	0	0	113	K334 Y335 M336	K334-S338 PolarHBondContact O-N 3.2Å; K334-S338 VanDerWaalsContact O-N 3.11Å; K334-S338 PolarHBondContact O-OG 3.06Å; Y335-S338 VanDerWaalsContact O-CB 3.29Å; Y335-S338 WeakPolarHBondContact O-CB 3.49Å; Y335-S338 PolarHBondContact O-N 3.39Å; Y335-S338 VanDerWaalsContact O-N 3.08Å; M336-S338 VanDerWaalsContact C-N 3.29Å
339	F	88.6	Confident	91.3	Very high	38 Å²	38	57.7 Å²	57.7	17%	0.167	31%	0.307	C	S	.	.			trans	-102.5	75	177.6	-61.8	-82.3	0	0	0	111.7	Y335 M336 N337 P405 A427 R433	Y335-F339 HydrophobicContact CD1-CE2 4.29Å; Y335-F339 HydrophobicContact CD2-CE2 4.06Å; Y335-F339 HydrophobicContact CE1-CD2 4.5Å; Y335-F339 AromaticContact CE1-CE2 3.92Å; Y335-F339 HydrophobicContact CE1-CE2 3.92Å; Y335-F339 AromaticContact CE2-CE2 3.67Å; Y335-F339 HydrophobicContact CE2-CE2 3.67Å; Y335-F339 HydrophobicContact CE2-CZ 4.12Å; Y335-F339 HydrophobicContact CG-CE2 4.36Å; Y335-F339 AromaticContact CZ-CE2 3.6Å; Y335-F339 WeakPolarHBondContact O-CD2 3.38Å; Y335-F339 WeakPolarHBondContact O-CE2 3.29Å; M336-F339 PolarHBondContact O-N 3.31Å; N337-F339 PolarHBondContact O-N 2.69Å; F339-P405 HydrophobicContact CE2-CB 4.38Å; F339-P405 HydrophobicContact CZ-CB 3.82Å; F339-A427 WeakPolarHBondContact CZ-O 3.36Å; F339-R433 VanDerWaalsContact CB-CD 3.46Å; F339-R433 HydrophobicContact CB-CG 4Å; F339-R433 HydrophobicContact CD1-CG 4.43Å; F339-R433 HydrophobicContact CD2-CB 4.48Å; F339-R433 HydrophobicContact CD2-CG 4.06Å; F339-R433 HydrophobicContact CG-CB 4.38Å; F339-R433 HydrophobicContact CG-CG 3.89Å
340	T	84.1	Confident	91.4	Very high	68 Å²	68	57.6 Å²	57.6	42%	0.417	31%	0.312	S	S	.	.			trans	-85.5	149.8	175.6	54	0	0	0	0	111.2	N337 P342 P397 M401	N337-T340 WeakPolarHBondContact O-CG2 3.45Å; T340-P342 WeakPolarHBondContact O-CD 3.21Å; T340-P397 HydrophobicContact CG2-CB 3.5Å; T340-P397 HydrophobicContact CG2-CG 4Å; T340-M401 HydrophobicContact CG2-CE 4.36Å
341	S	87.6	Confident	91.6	Very high	63 Å²	63	55.5 Å²	55.5	44%	0.441	31%	0.309	S	S	.	.			trans	-89.5	115.8	171.7	172.4	0	0	0	0	109.1	L343 L344 A345	S341-L343 VanDerWaalsContact C-N 3.26Å; S341-L343 PolarHBondContact O-N 3.4Å; S341-L344 PolarHBondContact O-N 3.03Å; S341-L344 PolarHBondContact OG-N 2.84Å; S341-A345 PolarHBondContact O-N 3.42Å
342	P	89.4	Confident	91.9	Very high	102 Å²	102	55.3 Å²	55.3	66%	0.662	31%	0.308	S	S	*	.	H	α-helix	trans	-59.9	-38.1	-179.5	-25	35.2	0	0	0	112.4	T340 A345 V346	T340-P342 WeakPolarHBondContact O-CD 3.21Å; P342-A345 PolarHBondContact O-N 3.12Å; P342-V346 WeakPolarHBondContact O-CG2 3.25Å; P342-V346 PolarHBondContact O-N 3.22Å
343	L	91.8	Very high	92	Very high	124 Å²	124	61.5 Å²	61.5	65%	0.649	34%	0.336	S	S	*	.	H	α-helix	trans	-61	-46.3	176.6	-179.4	64.5	0	0	0	111.5	S341 V346 L347	S341-L343 VanDerWaalsContact C-N 3.26Å; S341-L343 PolarHBondContact O-N 3.4Å; L343-V346 PolarHBondContact O-N 2.77Å; L343-L347 HydrophobicContact CD1-CD1 4.36Å; L343-L347 HydrophobicContact CG-CD1 4.17Å; L343-L347 VanDerWaalsContact O-CG 3.32Å; L343-L347 WeakPolarHBondContact O-CG 3.49Å; L343-L347 PolarHBondContact O-N 3.33Å
344	L	90.3	Very high	92.2	Very high	77 Å²	77	66.5 Å²	66.5	40%	0.403	35%	0.354	S	S	.	.	H	α-helix	trans	-65.6	-39.7	178.6	-175.4	61.8	0	0	0	111.4	S341 L347 A348 F395	S341-L344 PolarHBondContact O-N 3.03Å; S341-L344 PolarHBondContact OG-N 2.84Å; L344-L347 PolarHBondContact O-N 2.83Å; L344-A348 WeakPolarHBondContact O-CB 3.2Å; L344-A348 PolarHBondContact O-N 3.5Å; L344-F395 HydrophobicContact CD2-CB 4.4Å; L344-F395 HydrophobicContact CD2-CD1 3.94Å; L344-F395 HydrophobicContact CD2-CE1 4.48Å; L344-F395 HydrophobicContact CD2-CG 4.24Å; L344-F395 HydrophobicContact CG-CB 4.26Å; L344-F395 HydrophobicContact CG-CG 4.41Å
345	A	91.3	Very high	92.5	Very high	15 Å²	15	62 Å²	62	12%	0.124	34%	0.336	C	S	.	.	H	α-helix	trans	-64.9	-41.3	177.2	0	0	0	0	0	112.4	S341 P342 A348 K349 P397	S341-A345 PolarHBondContact O-N 3.42Å; P342-A345 PolarHBondContact O-N 3.12Å; A345-A348 PolarHBondContact O-N 3.49Å; A345-K349 WeakPolarHBondContact O-CB 3.12Å; A345-K349 WeakPolarHBondContact O-CG 3.33Å; A345-K349 PolarHBondContact O-N 3.31Å; A345-P397 HydrophobicContact CB-CG 4.48Å
346	V	94.5	Very high	92.7	Very high	86 Å²	86	63.1 Å²	63.1	52%	0.521	35%	0.347	S	S	.	.	H	α-helix	trans	-65.4	-44.9	175.5	171.1	0	0	0	0	111.1	P342 L343 N350	P342-V346 WeakPolarHBondContact O-CG2 3.25Å; P342-V346 PolarHBondContact O-N 3.22Å; L343-V346 PolarHBondContact O-N 2.77Å; V346-N350 PolarHBondContact O-N 2.84Å; V346-N350 VanDerWaalsContact O-N 3.14Å; V346-N350 PolarHBondContact O-ND2 3.04Å
347	L	94.9	Very high	92.9	Very high	96 Å²	96	65.3 Å²	65.3	50%	0.503	36%	0.363	S	S	.	.	H	α-helix	trans	-61.1	-46.7	175.1	-71.3	170.7	0	0	0	111.1	L343 L344 N350 V351	L343-L347 HydrophobicContact CD1-CD1 4.36Å; L343-L347 HydrophobicContact CG-CD1 4.17Å; L343-L347 VanDerWaalsContact O-CG 3.32Å; L343-L347 WeakPolarHBondContact O-CG 3.49Å; L343-L347 PolarHBondContact O-N 3.33Å; L344-L347 PolarHBondContact O-N 2.83Å; L347-N350 PolarHBondContact O-N 2.98Å; L347-V351 WeakPolarHBondContact O-CG2 3.43Å; L347-V351 PolarHBondContact O-N 3.34Å
348	A	93.3	Very high	93.2	Very high	5 Å²	5	65.1 Å²	65.1	4%	0.041	37%	0.365	C	S	.	.	H	α-helix	trans	-59.7	-47.6	178.6	0	0	0	0	0	112.7	L344 A345 N350 A352 T392 F395 I396	L344-A348 WeakPolarHBondContact O-CB 3.2Å; L344-A348 PolarHBondContact O-N 3.5Å; A345-A348 PolarHBondContact O-N 3.49Å; A348-N350 PolarHBondContact O-N 3.22Å; A348-A352 WeakPolarHBondContact O-CB 3.42Å; A348-A352 PolarHBondContact O-N 3.27Å; A348-T392 WeakPolarHBondContact CB-O 3.45Å; A348-F395 HydrophobicContact CB-CB 3.87Å; A348-I396 HydrophobicContact CB-CG1 3.99Å
349	K	94.2	Very high	93.5	Very high	96 Å²	96	65.8 Å²	65.8	42%	0.417	37%	0.367	S	S	.	.	H	α-helix	trans	-59.1	-44.4	176.8	-76.5	-171.4	173.8	-164.1	0	111.6	A345 F353 I396 E399	A345-K349 WeakPolarHBondContact O-CB 3.12Å; A345-K349 WeakPolarHBondContact O-CG 3.33Å; A345-K349 PolarHBondContact O-N 3.31Å; K349-F353 PolarHBondContact O-N 2.78Å; K349-F353 VanDerWaalsContact O-N 3.08Å; K349-I396 HydrophobicContact CG-CD1 3.88Å; K349-I396 HydrophobicContact CG-CG1 4.01Å; K349-I396 HydrophobicContact CG-CG2 4.28Å; K349-E399 IonicContact NZ-OE1 3.43Å; K349-E399 PolarHBondContact NZ-OE1 3.48Å
350	N	96.1	Very high	93.8	Very high	81 Å²	81	66.7 Å²	66.7	43%	0.433	38%	0.382	S	S	.	.	H	α-helix	trans	-69.4	-46.9	179.7	-76.5	-70.2	0	0	0	113	V346 L347 A348 A352 F353 F354	V346-N350 PolarHBondContact O-N 2.84Å; V346-N350 VanDerWaalsContact O-N 3.14Å; V346-N350 PolarHBondContact O-ND2 3.04Å; L347-N350 PolarHBondContact O-N 2.98Å; A348-N350 PolarHBondContact O-N 3.22Å; N350-A352 VanDerWaalsContact C-N 3.33Å; N350-A352 PolarHBondContact O-N 3.25Å; N350-F353 WeakPolarHBondContact O-CB 3.46Å; N350-F353 PolarHBondContact O-N 3.03Å; N350-F354 HydrophobicContact CB-CE2 4.38Å; N350-F354 WeakPolarHBondContact O-CD2 3.34Å; N350-F354 PolarHBondContact O-N 2.97Å
351	V	96.1	Very high	94.4	Very high	66 Å²	66	67.8 Å²	67.8	40%	0.4	39%	0.389	S	S	.	.	H	α-helix	trans	-64.8	-38.9	178.6	179.9	0	0	0	0	110.8	L347 F353 S355 V388 T392	L347-V351 WeakPolarHBondContact O-CG2 3.43Å; L347-V351 PolarHBondContact O-N 3.34Å; V351-F353 VanDerWaalsContact C-N 3.32Å; V351-F353 PolarHBondContact O-N 3.19Å; V351-S355 WeakPolarHBondContact O-CB 3.37Å; V351-S355 PolarHBondContact O-N 3.4Å; V351-S355 PolarHBondContact O-OG 3.03Å; V351-V388 HydrophobicContact CG1-CG1 3.93Å; V351-T392 HydrophobicContact CB-CG2 3.89Å; V351-T392 HydrophobicContact CG1-CG2 3.73Å
352	A	95.4	Very high	94.7	Very high	13 Å²	13	66.2 Å²	66.2	11%	0.107	38%	0.375	C	S	.	.	H	α-helix	trans	-62.1	-36.8	174	0	0	0	0	0	112.7	A348 N350 S355 G356 T392 I396	A348-A352 WeakPolarHBondContact O-CB 3.42Å; A348-A352 PolarHBondContact O-N 3.27Å; N350-A352 VanDerWaalsContact C-N 3.33Å; N350-A352 PolarHBondContact O-N 3.25Å; A352-S355 PolarHBondContact O-OG 3.47Å; A352-G356 WeakPolarHBondContact O-CA 3.43Å; A352-G356 PolarHBondContact O-N 2.99Å; A352-T392 WeakPolarHBondContact CB-OG1 3.34Å; A352-I396 HydrophobicContact CB-CD1 4.45Å
353	F	96.8	Very high	95	Very high	132 Å²	132	65.1 Å²	65.1	58%	0.579	36%	0.363	S	S	*	.	H	α-helix	trans	-65.1	-57.6	174.4	178.6	-99.2	0	0	0	111.5	K349 N350 V351 S355 G356 S357	K349-F353 PolarHBondContact O-N 2.78Å; K349-F353 VanDerWaalsContact O-N 3.08Å; N350-F353 WeakPolarHBondContact O-CB 3.46Å; N350-F353 PolarHBondContact O-N 3.03Å; V351-F353 VanDerWaalsContact C-N 3.32Å; V351-F353 PolarHBondContact O-N 3.19Å; F353-S355 PolarHBondContact O-N 3.4Å; F353-G356 PolarHBondContact O-N 3.26Å; F353-S357 PolarHBondContact O-N 3.09Å; F353-S357 PolarHBondContact O-OG 3.37Å; F353-S357 VanDerWaalsContact O-OG 3.14Å
354	F	97.2	Very high	95.1	Very high	131 Å²	131	62.1 Å²	62.1	58%	0.575	36%	0.356	S	S	*	.	H	α-helix	trans	-60.6	-45.5	-177	-68.2	-61	0	0	0	112.7	N350 S357 V358	N350-F354 HydrophobicContact CB-CE2 4.38Å; N350-F354 WeakPolarHBondContact O-CD2 3.34Å; N350-F354 PolarHBondContact O-N 2.97Å; F354-S357 PolarHBondContact O-N 3.03Å; F354-V358 WeakPolarHBondContact O-CG2 3.25Å; F354-V358 PolarHBondContact O-N 3.37Å
355	S	96.4	Very high	95.3	Very high	10 Å²	10	62.4 Å²	62.4	7%	0.07	36%	0.357	C	S	.	.	H	α-helix	trans	-65.7	-38.6	177	55.9	0	0	0	0	112.1	V351 A352 F353 L359 I389	V351-S355 WeakPolarHBondContact O-CB 3.37Å; V351-S355 PolarHBondContact O-N 3.4Å; V351-S355 PolarHBondContact O-OG 3.03Å; A352-S355 PolarHBondContact O-OG 3.47Å; F353-S355 PolarHBondContact O-N 3.4Å; S355-L359 WeakPolarHBondContact O-CB 3.41Å; S355-L359 PolarHBondContact O-N 3.29Å; S355-I389 VanDerWaalsContact OG-CG1 3.23Å; S355-I389 WeakPolarHBondContact OG-CG1 3.48Å
356	G	96.6	Very high	95.4	Very high	23 Å²	23	62.7 Å²	62.7	24%	0.237	36%	0.357	C	S	.	.	H	α-helix	trans	-63.8	-42.4	174.7	0	0	0	0	0	113.9	A352 F353 L359 A360	A352-G356 WeakPolarHBondContact O-CA 3.43Å; A352-G356 PolarHBondContact O-N 2.99Å; F353-G356 PolarHBondContact O-N 3.26Å; G356-L359 PolarHBondContact O-N 3.22Å; G356-A360 VanDerWaalsContact O-CB 3.31Å; G356-A360 WeakPolarHBondContact O-CB 3.4Å; G356-A360 PolarHBondContact O-N 3.47Å
357	S	96.8	Very high	95.4	Very high	52 Å²	52	64.3 Å²	64.3	36%	0.364	37%	0.367	S	S	.	.	H	α-helix	trans	-62.9	-46.1	176.6	-61	0	0	0	0	112.1	F353 F354 A360 V361	F353-S357 PolarHBondContact O-N 3.09Å; F353-S357 PolarHBondContact O-OG 3.37Å; F353-S357 VanDerWaalsContact O-OG 3.14Å; F354-S357 PolarHBondContact O-N 3.03Å; S357-A360 PolarHBondContact O-N 3.38Å; S357-V361 WeakPolarHBondContact O-CG2 3.42Å; S357-V361 PolarHBondContact O-N 3.08Å
358	V	96.4	Very high	95.5	Very high	79 Å²	79	69.6 Å²	69.6	48%	0.479	38%	0.382	S	S	.	.	H	α-helix	trans	-64.6	-44.3	176.9	178.3	0	0	0	0	110.7	F354 A360 V361 L362 L385	F354-V358 WeakPolarHBondContact O-CG2 3.25Å; F354-V358 PolarHBondContact O-N 3.37Å; V358-A360 PolarHBondContact O-N 2.78Å; V358-V361 PolarHBondContact O-N 3Å; V358-L362 HydrophobicContact CG1-CD1 4.19Å; V358-L362 WeakPolarHBondContact O-CG 3.47Å; V358-L362 PolarHBondContact O-N 3.15Å; V358-L385 HydrophobicContact CB-CD1 4.2Å; V358-L385 HydrophobicContact CG1-CD1 3.72Å
359	L	95.8	Very high	95.5	Very high	24 Å²	24	72.8 Å²	72.8	13%	0.126	40%	0.399	C	S	.	.	H	α-helix	trans	-62.3	-41.1	177.7	-178.7	62.4	0	0	0	112.2	S355 G356 V361 L362 I363 I382 L385 I389	S355-L359 WeakPolarHBondContact O-CB 3.41Å; S355-L359 PolarHBondContact O-N 3.29Å; G356-L359 PolarHBondContact O-N 3.22Å; L359-V361 VanDerWaalsContact C-N 3.35Å; L359-V361 PolarHBondContact O-N 3.33Å; L359-L362 PolarHBondContact O-N 3.43Å; L359-I363 HydrophobicContact CD1-CD1 3.96Å; L359-I363 HydrophobicContact CD1-CG1 4.09Å; L359-I363 HydrophobicContact CD2-CD1 4.26Å; L359-I363 HydrophobicContact CG-CD1 3.74Å; L359-I363 HydrophobicContact CG-CG1 4.28Å; L359-I363 WeakPolarHBondContact O-CB 3.46Å; L359-I363 VanDerWaalsContact O-CG1 3.3Å; L359-I363 WeakPolarHBondContact O-CG1 3.24Å; L359-I363 PolarHBondContact O-N 2.68Å; L359-I382 HydrophobicContact CD1-CB 4.18Å; L359-I382 HydrophobicContact CD1-CG1 4.17Å; L359-I382 HydrophobicContact CD1-CG2 3.96Å; L359-L385 HydrophobicContact CB-CB 4.19Å; L359-L385 HydrophobicContact CB-CD1 4.37Å; L359-L385 HydrophobicContact CD1-CB 4.33Å; L359-I389 HydrophobicContact CB-CD1 3.98Å; L359-I389 HydrophobicContact CD2-CD1 3.39Å; L359-I389 HydrophobicContact CG-CD1 4.31Å
360	A	96	Very high	95.3	Very high	58 Å²	58	75.8 Å²	75.8	48%	0.479	41%	0.414	S	S	.	.	H	α-helix	trans	-62.8	-40.3	178.7	0	0	0	0	0	112.2	G356 S357 V358 A364	G356-A360 VanDerWaalsContact O-CB 3.31Å; G356-A360 WeakPolarHBondContact O-CB 3.4Å; G356-A360 PolarHBondContact O-N 3.47Å; S357-A360 PolarHBondContact O-N 3.38Å; V358-A360 PolarHBondContact O-N 2.78Å; A360-A364 WeakPolarHBondContact O-CB 3.31Å; A360-A364 PolarHBondContact O-N 3.08Å
361	V	96.2	Very high	95	Very high	91 Å²	91	77.2 Å²	77.2	55%	0.552	42%	0.421	S	S	*	.	H	α-helix	trans	-65.3	-45.2	174.3	173.6	0	0	0	0	111.1	S357 V358 L359 I363 A364 L365	S357-V361 WeakPolarHBondContact O-CG2 3.42Å; S357-V361 PolarHBondContact O-N 3.08Å; V358-V361 PolarHBondContact O-N 3Å; L359-V361 VanDerWaalsContact C-N 3.35Å; L359-V361 PolarHBondContact O-N 3.33Å; V361-I363 PolarHBondContact O-N 2.88Å; V361-A364 PolarHBondContact O-N 3.4Å; V361-L365 HydrophobicContact CG1-CD1 4.09Å; V361-L365 WeakPolarHBondContact O-CG 3.4Å; V361-L365 PolarHBondContact O-N 3.31Å
362	L	94.1	Very high	94.7	Very high	29 Å²	29	75.3 Å²	75.3	15%	0.152	41%	0.41	C	S	.	.	H	α-helix	trans	-61.3	-44.4	176.7	-69.6	175.3	0	0	0	111.8	V358 L359 L365 T366 I378 A381 I382 L385	V358-L362 HydrophobicContact CG1-CD1 4.19Å; V358-L362 WeakPolarHBondContact O-CG 3.47Å; V358-L362 PolarHBondContact O-N 3.15Å; L359-L362 PolarHBondContact O-N 3.43Å; L362-L365 PolarHBondContact O-N 3.47Å; L362-T366 WeakPolarHBondContact O-CG2 3.35Å; L362-T366 PolarHBondContact O-N 3.3Å; L362-T366 PolarHBondContact O-OG1 2.93Å; L362-I378 HydrophobicContact CD2-CG2 4.47Å; L362-A381 HydrophobicContact CD1-CB 4.22Å; L362-I382 HydrophobicContact CB-CD1 4.34Å; L362-I382 HydrophobicContact CB-CG1 4.01Å; L362-I382 HydrophobicContact CD1-CG1 4.13Å; L362-L385 HydrophobicContact CD1-CD1 3.89Å
363	I	94.6	Very high	94.4	Very high	80 Å²	80	78.5 Å²	78.5	41%	0.41	43%	0.425	S	S	.	.	H	α-helix	trans	-61.2	-46.9	176.2	-70.5	171.3	0	0	0	110.6	L359 V361 L365 T366 V367	L359-I363 HydrophobicContact CD1-CD1 3.96Å; L359-I363 HydrophobicContact CD1-CG1 4.09Å; L359-I363 HydrophobicContact CD2-CD1 4.26Å; L359-I363 HydrophobicContact CG-CD1 3.74Å; L359-I363 HydrophobicContact CG-CG1 4.28Å; L359-I363 WeakPolarHBondContact O-CB 3.46Å; L359-I363 VanDerWaalsContact O-CG1 3.3Å; L359-I363 WeakPolarHBondContact O-CG1 3.24Å; L359-I363 PolarHBondContact O-N 2.68Å; V361-I363 PolarHBondContact O-N 2.88Å; I363-L365 VanDerWaalsContact C-N 3.31Å; I363-L365 PolarHBondContact O-N 3.44Å; I363-T366 WeakPolarHBondContact CA-OG1 3.09Å; I363-T366 PolarHBondContact O-N 3.28Å; I363-T366 PolarHBondContact O-OG1 2.9Å; I363-V367 HydrophobicContact CG2-CG2 4.34Å; I363-V367 WeakPolarHBondContact O-CG2 3.44Å; I363-V367 PolarHBondContact O-N 3.49Å
364	A	95.3	Very high	93.9	Very high	60 Å²	60	77.7 Å²	77.7	50%	0.496	43%	0.431	S	S	.	.	H	α-helix	trans	-60	-40.8	178.8	0	0	0	0	0	112.3	A360 V361 V367 Y368	A360-A364 WeakPolarHBondContact O-CB 3.31Å; A360-A364 PolarHBondContact O-N 3.08Å; V361-A364 PolarHBondContact O-N 3.4Å; A364-V367 PolarHBondContact O-N 3.12Å; A364-Y368 WeakPolarHBondContact O-CB 3.4Å; A364-Y368 PolarHBondContact O-N 3.31Å
365	L	94.3	Very high	93.5	Very high	83 Å²	83	75.2 Å²	75.2	44%	0.435	43%	0.426	S	S	.	.	H	α-helix	trans	-64.6	-44.1	174.1	-70.4	171.2	0	0	0	111.8	V361 L362 I363 V367 Y368 D369 V372	V361-L365 HydrophobicContact CG1-CD1 4.09Å; V361-L365 WeakPolarHBondContact O-CG 3.4Å; V361-L365 PolarHBondContact O-N 3.31Å; L362-L365 PolarHBondContact O-N 3.47Å; I363-L365 VanDerWaalsContact C-N 3.31Å; I363-L365 PolarHBondContact O-N 3.44Å; L365-V367 VanDerWaalsContact C-N 3.26Å; L365-V367 PolarHBondContact O-N 3Å; L365-Y368 PolarHBondContact O-N 3.1Å; L365-D369 PolarHBondContact O-N 3.22Å; L365-V372 HydrophobicContact CB-CG1 4.14Å; L365-V372 HydrophobicContact CB-CG2 4.38Å
366	T	93.1	Very high	93.1	Very high	21 Å²	21	82.1 Å²	82.1	13%	0.129	46%	0.458	C	S	.	.	H	α-helix	trans	-68.8	-19.7	177.5	56.6	0	0	0	0	114.6	L362 I363 D369 V372 L373 I378 I382	L362-T366 WeakPolarHBondContact O-CG2 3.35Å; L362-T366 PolarHBondContact O-N 3.3Å; L362-T366 PolarHBondContact O-OG1 2.93Å; I363-T366 WeakPolarHBondContact CA-OG1 3.09Å; I363-T366 PolarHBondContact O-N 3.28Å; I363-T366 PolarHBondContact O-OG1 2.9Å; T366-D369 WeakPolarHBondContact CA-O 3.48Å; T366-V372 HydrophobicContact CG2-CB 4.04Å; T366-V372 HydrophobicContact CG2-CG1 3.75Å; T366-L373 HydrophobicContact CG2-CD2 3.55Å; T366-L373 HydrophobicContact CG2-CG 3.79Å; T366-I378 HydrophobicContact CG2-CG2 4.5Å; T366-I382 HydrophobicContact CG2-CD1 4.02Å
367	V	94.8	Very high	92.8	Very high	121 Å²	121	87 Å²	87	73%	0.733	47%	0.474	S	S	*	.	H	α-helix	trans	-88.1	-27.4	173.8	170.9	0	0	0	0	111.4	I363 A364 L365	I363-V367 HydrophobicContact CG2-CG2 4.34Å; I363-V367 WeakPolarHBondContact O-CG2 3.44Å; I363-V367 PolarHBondContact O-N 3.49Å; A364-V367 PolarHBondContact O-N 3.12Å; L365-V367 VanDerWaalsContact C-N 3.26Å; L365-V367 PolarHBondContact O-N 3Å
368	Y	95.4	Very high	92.5	Very high	207 Å²	207	86 Å²	86	81%	0.812	46%	0.464	S	S	*	.	H	α-helix	trans	-74.2	-40.9	172.1	-179.9	-98.1	0	0	0	111.8	A364 L365	A364-Y368 WeakPolarHBondContact O-CB 3.4Å; A364-Y368 PolarHBondContact O-N 3.31Å; L365-Y368 PolarHBondContact O-N 3.1Å
369	D	93.2	Very high	92.2	Very high	72 Å²	72	87.2 Å²	87.2	39%	0.385	47%	0.467	S	S	.	.			trans	-146.1	119.1	-179.2	-175.4	-4.2	0	0	0	110.4	L365 T366 D371 V372	L365-D369 PolarHBondContact O-N 3.22Å; T366-D369 WeakPolarHBondContact CA-O 3.48Å; D369-D371 VanDerWaalsContact C-N 3.26Å; D369-D371 PolarHBondContact O-N 2.95Å; D369-D371 WeakPolarHBondContact OD1-CB 3.43Å; D369-D371 PolarHBondContact OD1-N 3.48Å; D369-V372 HydrophobicContact CB-CG2 4.11Å; D369-V372 WeakPolarHBondContact O-CB 3.42Å; D369-V372 WeakPolarHBondContact O-CG2 3.32Å; D369-V372 PolarHBondContact O-N 3.39Å
370	E	89.9	Confident	92	Very high	159 Å²	159	89.7 Å²	89.7	74%	0.743	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-68.2	-24.8	-179.4	-63.6	-170.9	168.8	0	0	112.3	V372 L373	E370-V372 PolarHBondContact O-N 3.36Å; E370-V372 VanDerWaalsContact O-N 3.11Å; E370-L373 WeakPolarHBondContact O-CB 3.48Å; E370-L373 PolarHBondContact O-N 3.23Å
371	D	90.1	Very high	91.9	Very high	110 Å²	110	88.7 Å²	88.7	59%	0.588	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-63.4	-21.2	-179.6	-78.3	-19.4	0	0	0	112.1	D369 L373 T374	D369-D371 VanDerWaalsContact C-N 3.26Å; D369-D371 PolarHBondContact O-N 2.95Å; D369-D371 WeakPolarHBondContact OD1-CB 3.43Å; D369-D371 PolarHBondContact OD1-N 3.48Å; D371-L373 PolarHBondContact O-N 3.08Å; D371-T374 WeakPolarHBondContact O-CB 3.09Å; D371-T374 PolarHBondContact O-N 2.66Å; D371-T374 PolarHBondContact O-OG1 2.94Å
372	V	89.7	Confident	91.7	Very high	26 Å²	26	85.9 Å²	85.9	16%	0.158	46%	0.456	C	S	.	.	G	3₁₀ helix	trans	-56.6	-30.5	172.1	178.9	0	0	0	0	111.8	L365 T366 D369 E370 T374 V375 I378	L365-V372 HydrophobicContact CB-CG1 4.14Å; L365-V372 HydrophobicContact CB-CG2 4.38Å; T366-V372 HydrophobicContact CG2-CB 4.04Å; T366-V372 HydrophobicContact CG2-CG1 3.75Å; D369-V372 HydrophobicContact CB-CG2 4.11Å; D369-V372 WeakPolarHBondContact O-CB 3.42Å; D369-V372 WeakPolarHBondContact O-CG2 3.32Å; D369-V372 PolarHBondContact O-N 3.39Å; E370-V372 PolarHBondContact O-N 3.36Å; E370-V372 VanDerWaalsContact O-N 3.11Å; V372-T374 PolarHBondContact O-N 3.42Å; V372-V375 PolarHBondContact O-N 3.12Å; V372-I378 HydrophobicContact CG1-CD1 3.69Å; V372-I378 HydrophobicContact CG1-CG2 4.28Å
373	L	89.1	Confident	91.6	Very high	81 Å²	81	87.9 Å²	87.9	42%	0.424	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-69	-21.4	175.7	-69.8	172.8	0	0	0	113.5	T366 E370 D371 V375 I382	T366-L373 HydrophobicContact CG2-CD2 3.55Å; T366-L373 HydrophobicContact CG2-CG 3.79Å; E370-L373 WeakPolarHBondContact O-CB 3.48Å; E370-L373 PolarHBondContact O-N 3.23Å; D371-L373 PolarHBondContact O-N 3.08Å; L373-V375 VanDerWaalsContact C-N 3.34Å; L373-I382 HydrophobicContact CD2-CD1 4.2Å
374	T	86.5	Confident	91.5	Very high	114 Å²	114	88.3 Å²	88.3	70%	0.699	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-81.2	-16.8	179	75.7	0	0	0	0	112.9	D371 V372	D371-T374 WeakPolarHBondContact O-CB 3.09Å; D371-T374 PolarHBondContact O-N 2.66Å; D371-T374 PolarHBondContact O-OG1 2.94Å; V372-T374 PolarHBondContact O-N 3.42Å
375	V	90.1	Very high	91.4	Very high	79 Å²	79	87 Å²	87	48%	0.479	46%	0.461	S	S	.	.	S	Bend	trans	-68.1	138.5	-178.9	-179.9	0	0	0	0	110.7	V372 L373 H377 I378	V372-V375 PolarHBondContact O-N 3.12Å; L373-V375 VanDerWaalsContact C-N 3.34Å; V375-H377 PolarHBondContact O-N 3.36Å; V375-I378 HydrophobicContact CB-CD1 3.73Å; V375-I378 HydrophobicContact CB-CG1 3.94Å; V375-I378 HydrophobicContact CG1-CD1 3.88Å; V375-I378 HydrophobicContact CG1-CG1 4.03Å; V375-I378 HydrophobicContact CG2-CD1 4.39Å; V375-I378 PolarHBondContact O-N 2.84Å
376	Q	86.4	Confident	91.3	Very high	156 Å²	156	84 Å²	84	73%	0.729	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	133.3	-176.9	-163.1	-177.4	-31.5	0	0	111.6	I378	Q376-I378 PolarHBondContact O-N 2.78Å; Q376-I378 VanDerWaalsContact O-N 3.15Å
377	H	90.3	Very high	91.2	Very high	126 Å²	126	85.7 Å²	85.7	58%	0.583	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	-5.2	-179.1	-56	-59.8	0	0	0	118.3	V375 T380 A381	V375-H377 PolarHBondContact O-N 3.36Å; H377-T380 WeakPolarHBondContact CA-OG1 3.39Å; H377-T380 PolarHBondContact O-N 3.3Å; H377-T380 PolarHBondContact O-OG1 3.05Å; H377-A381 WeakPolarHBondContact O-CB 3.4Å; H377-A381 PolarHBondContact O-N 3.46Å
378	I	91.9	Very high	91.1	Very high	30 Å²	30	82.3 Å²	82.3	15%	0.154	44%	0.44	C	S	.	.	H	α-helix	trans	-63.9	-47.4	-178	-66.8	-160.3	0	0	0	111.9	L362 T366 V372 V375 Q376 T380 A381 I382	L362-I378 HydrophobicContact CD2-CG2 4.47Å; T366-I378 HydrophobicContact CG2-CG2 4.5Å; V372-I378 HydrophobicContact CG1-CD1 3.69Å; V372-I378 HydrophobicContact CG1-CG2 4.28Å; V375-I378 HydrophobicContact CB-CD1 3.73Å; V375-I378 HydrophobicContact CB-CG1 3.94Å; V375-I378 HydrophobicContact CG1-CD1 3.88Å; V375-I378 HydrophobicContact CG1-CG1 4.03Å; V375-I378 HydrophobicContact CG2-CD1 4.39Å; V375-I378 PolarHBondContact O-N 2.84Å; Q376-I378 PolarHBondContact O-N 2.78Å; Q376-I378 VanDerWaalsContact O-N 3.15Å; I378-T380 VanDerWaalsContact C-N 3.31Å; I378-T380 PolarHBondContact O-N 3.05Å; I378-A381 PolarHBondContact O-N 2.76Å; I378-A381 VanDerWaalsContact O-N 3.15Å; I378-I382 HydrophobicContact CG2-CD1 3.78Å; I378-I382 HydrophobicContact CG2-CG1 4.36Å; I378-I382 WeakPolarHBondContact O-CG1 3.24Å; I378-I382 PolarHBondContact O-N 3.07Å
379	L	89.9	Confident	90.9	Very high	105 Å²	105	73 Å²	73	55%	0.55	40%	0.404	S	S	.	.	H	α-helix	trans	-61.7	-37	176.3	-175.8	62.5	0	0	0	112.7	T383	L379-T383 WeakPolarHBondContact O-CG2 3.47Å; L379-T383 PolarHBondContact O-N 2.64Å; L379-T383 VanDerWaalsContact O-N 3.09Å; L379-T383 PolarHBondContact O-OG1 2.67Å
380	T	91.3	Very high	90.8	Very high	76 Å²	76	73 Å²	73	47%	0.466	41%	0.407	S	S	.	.	H	α-helix	trans	-70.6	-35.3	174.8	51	0	0	0	0	112.3	H377 I378 T383 V384	H377-T380 WeakPolarHBondContact CA-OG1 3.39Å; H377-T380 PolarHBondContact O-N 3.3Å; H377-T380 PolarHBondContact O-OG1 3.05Å; I378-T380 VanDerWaalsContact C-N 3.31Å; I378-T380 PolarHBondContact O-N 3.05Å; T380-T383 WeakPolarHBondContact CA-OG1 3.45Å; T380-T383 PolarHBondContact O-OG1 3.14Å; T380-T383 VanDerWaalsContact O-OG1 3.09Å; T380-V384 WeakPolarHBondContact O-CB 3.45Å; T380-V384 VanDerWaalsContact O-CG2 3.23Å; T380-V384 WeakPolarHBondContact O-CG2 3.39Å; T380-V384 PolarHBondContact O-N 3.39Å
381	A	93.6	Very high	90.7	Very high	36 Å²	36	68.5 Å²	68.5	30%	0.298	39%	0.387	S	S	.	.	H	α-helix	trans	-67.8	-46.6	175.4	0	0	0	0	0	111.1	L362 H377 I378 T383 V384 L385	L362-A381 HydrophobicContact CD1-CB 4.22Å; H377-A381 WeakPolarHBondContact O-CB 3.4Å; H377-A381 PolarHBondContact O-N 3.46Å; I378-A381 PolarHBondContact O-N 2.76Å; I378-A381 VanDerWaalsContact O-N 3.15Å; A381-T383 VanDerWaalsContact C-N 3.34Å; A381-T383 PolarHBondContact O-N 2.83Å; A381-V384 PolarHBondContact O-N 2.97Å; A381-L385 VanDerWaalsContact O-CB 3.23Å; A381-L385 WeakPolarHBondContact O-CB 3.12Å; A381-L385 WeakPolarHBondContact O-CD1 3.47Å; A381-L385 WeakPolarHBondContact O-CG 3.47Å; A381-L385 PolarHBondContact O-N 3.47Å
382	I	93.3	Very high	90.8	Very high	32 Å²	32	64 Å²	64	16%	0.164	36%	0.363	C	S	.	.	H	α-helix	trans	-56.1	-47.8	175.7	-72.5	171.1	0	0	0	110.8	L359 L362 T366 L373 I378 G386	L359-I382 HydrophobicContact CD1-CB 4.18Å; L359-I382 HydrophobicContact CD1-CG1 4.17Å; L359-I382 HydrophobicContact CD1-CG2 3.96Å; L362-I382 HydrophobicContact CB-CD1 4.34Å; L362-I382 HydrophobicContact CB-CG1 4.01Å; L362-I382 HydrophobicContact CD1-CG1 4.13Å; T366-I382 HydrophobicContact CG2-CD1 4.02Å; L373-I382 HydrophobicContact CD2-CD1 4.2Å; I378-I382 HydrophobicContact CG2-CD1 3.78Å; I378-I382 HydrophobicContact CG2-CG1 4.36Å; I378-I382 WeakPolarHBondContact O-CG1 3.24Å; I378-I382 PolarHBondContact O-N 3.07Å; I382-G386 PolarHBondContact O-N 3.22Å
383	T	91.5	Very high	90.7	Very high	72 Å²	72	70.9 Å²	70.9	44%	0.442	39%	0.387	S	S	.	.	H	α-helix	trans	-68.8	-43.1	-179.5	47.2	0	0	0	0	113	L379 T380 A381 G386 V387	L379-T383 WeakPolarHBondContact O-CG2 3.47Å; L379-T383 PolarHBondContact O-N 2.64Å; L379-T383 VanDerWaalsContact O-N 3.09Å; L379-T383 PolarHBondContact O-OG1 2.67Å; T380-T383 WeakPolarHBondContact CA-OG1 3.45Å; T380-T383 PolarHBondContact O-OG1 3.14Å; T380-T383 VanDerWaalsContact O-OG1 3.09Å; A381-T383 VanDerWaalsContact C-N 3.34Å; A381-T383 PolarHBondContact O-N 2.83Å; T383-G386 PolarHBondContact O-N 3.45Å; T383-V387 WeakPolarHBondContact O-CG2 3.21Å; T383-V387 PolarHBondContact O-N 2.81Å
384	V	92.2	Very high	90.6	Very high	89 Å²	89	69.7 Å²	69.7	54%	0.539	39%	0.385	S	S	.	.	H	α-helix	trans	-65.1	-45.4	176.3	169.8	0	0	0	0	111.4	T380 A381 G386 V387 V388	T380-V384 WeakPolarHBondContact O-CB 3.45Å; T380-V384 VanDerWaalsContact O-CG2 3.23Å; T380-V384 WeakPolarHBondContact O-CG2 3.39Å; T380-V384 PolarHBondContact O-N 3.39Å; A381-V384 PolarHBondContact O-N 2.97Å; V384-G386 VanDerWaalsContact C-N 3.34Å; V384-G386 PolarHBondContact O-N 3.03Å; V384-V387 PolarHBondContact O-N 3.09Å; V384-V388 HydrophobicContact CG1-CG2 4.4Å; V384-V388 WeakPolarHBondContact O-CG2 3.29Å; V384-V388 PolarHBondContact O-N 3.27Å
385	L	94	Very high	90.7	Very high	31 Å²	31	68.9 Å²	68.9	16%	0.162	37%	0.372	C	S	.	.	H	α-helix	trans	-61.4	-42.4	176.5	-70.5	167.6	0	0	0	111.3	V358 L359 L362 A381 V387 V388 I389	V358-L385 HydrophobicContact CB-CD1 4.2Å; V358-L385 HydrophobicContact CG1-CD1 3.72Å; L359-L385 HydrophobicContact CB-CB 4.19Å; L359-L385 HydrophobicContact CB-CD1 4.37Å; L359-L385 HydrophobicContact CD1-CB 4.33Å; L362-L385 HydrophobicContact CD1-CD1 3.89Å; A381-L385 VanDerWaalsContact O-CB 3.23Å; A381-L385 WeakPolarHBondContact O-CB 3.12Å; A381-L385 WeakPolarHBondContact O-CD1 3.47Å; A381-L385 WeakPolarHBondContact O-CG 3.47Å; A381-L385 PolarHBondContact O-N 3.47Å; L385-V387 PolarHBondContact O-N 3.25Å; L385-V388 PolarHBondContact O-N 3.3Å; L385-I389 WeakPolarHBondContact O-CD1 3.31Å; L385-I389 VanDerWaalsContact O-CG1 3.24Å; L385-I389 WeakPolarHBondContact O-CG1 3.38Å; L385-I389 PolarHBondContact O-N 2.96Å
386	G	91.9	Very high	90.6	Very high	22 Å²	22	67.6 Å²	67.6	23%	0.227	36%	0.362	C	S	.	.	H	α-helix	trans	-58.5	-43.3	174.3	0	0	0	0	0	113.1	I382 T383 V384 T390	I382-G386 PolarHBondContact O-N 3.22Å; T383-G386 PolarHBondContact O-N 3.45Å; V384-G386 VanDerWaalsContact C-N 3.34Å; V384-G386 PolarHBondContact O-N 3.03Å; G386-T390 WeakPolarHBondContact O-CB 3.46Å; G386-T390 PolarHBondContact O-N 3.48Å; G386-T390 PolarHBondContact O-OG1 3.12Å
387	V	89.9	Confident	90.6	Very high	56 Å²	56	62.1 Å²	62.1	34%	0.339	34%	0.34	S	S	.	.	H	α-helix	trans	-64.7	-45.2	174.5	170.9	0	0	0	0	111.2	T383 V384 L385 I389 T390 I391	T383-V387 WeakPolarHBondContact O-CG2 3.21Å; T383-V387 PolarHBondContact O-N 2.81Å; V384-V387 PolarHBondContact O-N 3.09Å; L385-V387 PolarHBondContact O-N 3.25Å; V387-I389 PolarHBondContact O-N 2.81Å; V387-T390 PolarHBondContact O-N 2.94Å; V387-I391 HydrophobicContact CG1-CD1 3.67Å; V387-I391 HydrophobicContact CG1-CG1 4.38Å; V387-I391 WeakPolarHBondContact O-CG1 3.5Å; V387-I391 PolarHBondContact O-N 3.14Å
388	V	92.1	Very high	90.2	Very high	49 Å²	49	61.5 Å²	61.5	30%	0.297	34%	0.341	S	S	.	.	H	α-helix	trans	-60.5	-43.7	177.7	169.3	0	0	0	0	111.8	V351 V384 L385 T390 I391 T392	V351-V388 HydrophobicContact CG1-CG1 3.93Å; V384-V388 HydrophobicContact CG1-CG2 4.4Å; V384-V388 WeakPolarHBondContact O-CG2 3.29Å; V384-V388 PolarHBondContact O-N 3.27Å; L385-V388 PolarHBondContact O-N 3.3Å; V388-T390 VanDerWaalsContact C-N 3.35Å; V388-I391 PolarHBondContact O-N 2.79Å; V388-T392 HydrophobicContact CG1-CG2 4.37Å; V388-T392 WeakPolarHBondContact O-CB 3.33Å; V388-T392 WeakPolarHBondContact O-CG2 3.48Å; V388-T392 PolarHBondContact O-N 2.94Å; V388-T392 PolarHBondContact O-OG1 2.89Å
389	I	92.3	Very high	89.6	Confident	13 Å²	13	67 Å²	67	7%	0.067	37%	0.366	C	S	.	.	H	α-helix	trans	-62.9	-42.6	176	-67.4	159.8	0	0	0	110.7	S355 L359 L385 V387 T392 R393	S355-I389 VanDerWaalsContact OG-CG1 3.23Å; S355-I389 WeakPolarHBondContact OG-CG1 3.48Å; L359-I389 HydrophobicContact CB-CD1 3.98Å; L359-I389 HydrophobicContact CD2-CD1 3.39Å; L359-I389 HydrophobicContact CG-CD1 4.31Å; L385-I389 WeakPolarHBondContact O-CD1 3.31Å; L385-I389 VanDerWaalsContact O-CG1 3.24Å; L385-I389 WeakPolarHBondContact O-CG1 3.38Å; L385-I389 PolarHBondContact O-N 2.96Å; V387-I389 PolarHBondContact O-N 2.81Å; I389-T392 WeakPolarHBondContact CA-OG1 3.45Å; I389-T392 PolarHBondContact O-N 2.79Å; I389-T392 PolarHBondContact O-OG1 3.22Å; I389-T392 VanDerWaalsContact O-OG1 3.13Å; I389-R393 HydrophobicContact CG2-CG 4.34Å; I389-R393 VanDerWaalsContact O-CB 3.3Å; I389-R393 WeakPolarHBondContact O-CB 3.38Å; I389-R393 WeakPolarHBondContact O-CG 3.4Å; I389-R393 PolarHBondContact O-N 3.03Å
390	T	89.9	Confident	89.2	Confident	71 Å²	71	70.1 Å²	70.1	44%	0.436	38%	0.377	S	S	.	.	H	α-helix	trans	-67.2	-40.8	-179.2	-50.3	0	0	0	0	111.4	P295 G386 V387 V388 S394	P295-T390 HydrophobicContact CG-CG2 3.59Å; G386-T390 WeakPolarHBondContact O-CB 3.46Å; G386-T390 PolarHBondContact O-N 3.48Å; G386-T390 PolarHBondContact O-OG1 3.12Å; V387-T390 PolarHBondContact O-N 2.94Å; V388-T390 VanDerWaalsContact C-N 3.35Å; T390-S394 PolarHBondContact O-N 3.49Å
391	I	89.3	Confident	88.6	Confident	65 Å²	65	69.8 Å²	69.8	33%	0.333	37%	0.371	S	S	.	.	H	α-helix	trans	-64.4	-51.5	174	-69.9	167.9	0	0	0	110.8	P295 V387 V388 R393 S394 F395	P295-I391 HydrophobicContact CB-CG1 3.78Å; P295-I391 HydrophobicContact CG-CG1 4.05Å; V387-I391 HydrophobicContact CG1-CD1 3.67Å; V387-I391 HydrophobicContact CG1-CG1 4.38Å; V387-I391 WeakPolarHBondContact O-CG1 3.5Å; V387-I391 PolarHBondContact O-N 3.14Å; V388-I391 PolarHBondContact O-N 2.79Å; I391-R393 PolarHBondContact O-N 2.99Å; I391-S394 WeakPolarHBondContact O-CB 3.46Å; I391-S394 PolarHBondContact O-N 3.48Å; I391-S394 PolarHBondContact O-OG 2.87Å; I391-F395 HydrophobicContact CG2-CD2 4.31Å; I391-F395 HydrophobicContact CG2-CE2 3.67Å; I391-F395 WeakPolarHBondContact O-CD2 3.29Å
392	T	91	Very high	88	Confident	14 Å²	14	73.3 Å²	73.3	9%	0.086	39%	0.389	C	S	.	.	H	α-helix	trans	-64	-41.6	-176.8	48.1	0	0	0	0	112.3	A348 V351 A352 V388 I389 S394 F395	A348-T392 WeakPolarHBondContact CB-O 3.45Å; V351-T392 HydrophobicContact CB-CG2 3.89Å; V351-T392 HydrophobicContact CG1-CG2 3.73Å; A352-T392 WeakPolarHBondContact CB-OG1 3.34Å; V388-T392 HydrophobicContact CG1-CG2 4.37Å; V388-T392 WeakPolarHBondContact O-CB 3.33Å; V388-T392 WeakPolarHBondContact O-CG2 3.48Å; V388-T392 PolarHBondContact O-N 2.94Å; V388-T392 PolarHBondContact O-OG1 2.89Å; I389-T392 WeakPolarHBondContact CA-OG1 3.45Å; I389-T392 PolarHBondContact O-N 2.79Å; I389-T392 PolarHBondContact O-OG1 3.22Å; I389-T392 VanDerWaalsContact O-OG1 3.13Å; T392-S394 PolarHBondContact O-N 3.31Å; T392-F395 PolarHBondContact O-N 3.37Å
393	R	88.4	Confident	87.5	Confident	172 Å²	172	79.3 Å²	79.3	65%	0.649	41%	0.41	S	S	*	.	H	α-helix	trans	-59.2	-32.5	171.5	-75	-178.3	175.5	174.4	-0.3	113.1	I389 I391 F395 I396	I389-R393 HydrophobicContact CG2-CG 4.34Å; I389-R393 VanDerWaalsContact O-CB 3.3Å; I389-R393 WeakPolarHBondContact O-CB 3.38Å; I389-R393 WeakPolarHBondContact O-CG 3.4Å; I389-R393 PolarHBondContact O-N 3.03Å; I391-R393 PolarHBondContact O-N 2.99Å; R393-F395 PolarHBondContact O-N 3.18Å; R393-I396 HydrophobicContact CG-CD1 4.39Å; R393-I396 PolarHBondContact O-N 3.12Å; R393-I396 VanDerWaalsContact O-N 3.14Å
394	S	87.8	Confident	87.2	Confident	55 Å²	55	77.7 Å²	77.7	39%	0.385	40%	0.401	S	S	.	.	H	α-helix	trans	-67.5	-15	176.2	79.4	0	0	0	0	114.7	T390 I391 T392	T390-S394 PolarHBondContact O-N 3.49Å; I391-S394 WeakPolarHBondContact O-CB 3.46Å; I391-S394 PolarHBondContact O-N 3.48Å; I391-S394 PolarHBondContact O-OG 2.87Å; T392-S394 PolarHBondContact O-N 3.31Å
395	F	87.3	Confident	87	Confident	98 Å²	98	74 Å²	74	43%	0.43	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-4.7	173.5	-62.5	-56	0	0	0	114.2	L344 A348 I391 T392 R393 P397	L344-F395 HydrophobicContact CD2-CB 4.4Å; L344-F395 HydrophobicContact CD2-CD1 3.94Å; L344-F395 HydrophobicContact CD2-CE1 4.48Å; L344-F395 HydrophobicContact CD2-CG 4.24Å; L344-F395 HydrophobicContact CG-CB 4.26Å; L344-F395 HydrophobicContact CG-CG 4.41Å; A348-F395 HydrophobicContact CB-CB 3.87Å; I391-F395 HydrophobicContact CG2-CD2 4.31Å; I391-F395 HydrophobicContact CG2-CE2 3.67Å; I391-F395 WeakPolarHBondContact O-CD2 3.29Å; T392-F395 PolarHBondContact O-N 3.37Å; R393-F395 PolarHBondContact O-N 3.18Å; F395-P397 WeakPolarHBondContact O-CD 3.47Å
396	I	88.9	Confident	86.6	Confident	52 Å²	52	75.1 Å²	75.1	27%	0.267	38%	0.383	S	S	.	.	S	Bend	trans	-83.1	120.4	174.5	-59	174.5	0	0	0	107.8	A348 K349 A352 R393	A348-I396 HydrophobicContact CB-CG1 3.99Å; K349-I396 HydrophobicContact CG-CD1 3.88Å; K349-I396 HydrophobicContact CG-CG1 4.01Å; K349-I396 HydrophobicContact CG-CG2 4.28Å; A352-I396 HydrophobicContact CB-CD1 4.45Å; R393-I396 HydrophobicContact CG-CD1 4.39Å; R393-I396 PolarHBondContact O-N 3.12Å; R393-I396 VanDerWaalsContact O-N 3.14Å
397	P	85.1	Confident	86.2	Confident	41 Å²	41	77.9 Å²	77.9	27%	0.266	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-74.9	159	179	31.6	-35.3	0	0	0	112.7	T340 A345 F395	T340-P397 HydrophobicContact CG2-CB 3.5Å; T340-P397 HydrophobicContact CG2-CG 4Å; A345-P397 HydrophobicContact CB-CG 4.48Å; F395-P397 WeakPolarHBondContact O-CD 3.47Å
398	D	82.9	Confident	86.1	Confident	112 Å²	112	76.4 Å²	76.4	60%	0.599	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-65.6	130.2	172.6	-173.3	-7.7	0	0	0	110.8	H400 M401	D398-H400 VanDerWaalsContact C-N 3.27Å; D398-H400 PolarHBondContact O-N 3.06Å; D398-H400 PolarHBondContact OD1-N 3.4Å; D398-M401 HydrophobicContact CB-CB 4.45Å
399	E	79.9	Confident	86	Confident	147 Å²	147	74.2 Å²	74.2	69%	0.687	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-14.5	-177.9	-56.7	-167.5	157.1	0	0	112.3	K349	K349-E399 IonicContact NZ-OE1 3.43Å; K349-E399 PolarHBondContact NZ-OE1 3.48Å
400	H	81.5	Confident	85.8	Confident	169 Å²	169	75.6 Å²	75.6	78%	0.782	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	15.2	179.5	-58.5	-45.9	0	0	0	114	D398 V402	D398-H400 VanDerWaalsContact C-N 3.27Å; D398-H400 PolarHBondContact O-N 3.06Å; D398-H400 PolarHBondContact OD1-N 3.4Å; H400-V402 PolarHBondContact O-N 3.5Å
401	M	78.3	Confident	85.6	Confident	69 Å²	69	73.7 Å²	73.7	34%	0.34	36%	0.362	S	S	.	.			trans	-75.4	121	179.7	-178.3	170	53.2	0	0	112.5	N337 T340 D398	N337-M401 HydrophobicContact CB-SD 4.17Å; N337-M401 VanDerWaalsContact O-CE 3.24Å; N337-M401 WeakPolarHBondContact O-CE 3.35Å; T340-M401 HydrophobicContact CG2-CE 4.36Å; D398-M401 HydrophobicContact CB-CB 4.45Å
402	V	80.8	Confident	85.8	Confident	111 Å²	111	70.7 Å²	70.7	67%	0.673	35%	0.347	S	S	*	.			trans	-77	125	176.3	-177.1	0	0	0	0	111	H400 C404	H400-V402 PolarHBondContact O-N 3.5Å; V402-C404 PolarHBondContact O-N 2.96Å
403	W	82.2	Confident	85.8	Confident	158 Å²	158	70.4 Å²	70.4	60%	0.598	35%	0.345	S	S	*	.			trans	-90	94.3	-179.7	-174.3	81.4	0	0	0	112.1	P405 N428	W403-P405 HydrophobicContact CD2-CG 4.36Å; W403-P405 HydrophobicContact CH2-CG 4.26Å; W403-P405 HydrophobicContact CZ2-CG 3.82Å; W403-N428 HydrophobicContact CH2-CB 4.41Å; W403-N428 HydrophobicContact CZ2-CB 4.12Å
404	C	85.6	Confident	85.8	Confident	38 Å²	38	62.2 Å²	62.2	26%	0.257	31%	0.314	S	S	.	.			trans	-132.8	68	176.1	-70.8	0	0	0	0	111.7	V402 E406 Q407 L408	V402-C404 PolarHBondContact O-N 2.96Å; C404-E406 PolarHBondContact O-N 3.14Å; C404-Q407 HydrophobicContact CB-CB 4.16Å; C404-Q407 HydrophobicContact CB-CG 4.33Å; C404-Q407 PolarHBondContact O-N 2.85Å; C404-Q407 PolarHBondContact SG-OE1 3.22Å; C404-L408 WeakPolarHBondContact O-CB 3.35Å; C404-L408 WeakPolarHBondContact O-CG 3.43Å; C404-L408 PolarHBondContact O-N 3.26Å
405	P	87.3	Confident	85.9	Confident	11 Å²	11	60.4 Å²	60.4	7%	0.071	30%	0.299	C	S	.	.	H	α-helix	trans	-62	-40	-169.7	23.5	-33.9	0	0	0	114.1	Y335 F339 W403 L408 L409 A427 N428	Y335-P405 HydrophobicContact CE2-CB 4.22Å; F339-P405 HydrophobicContact CE2-CB 4.38Å; F339-P405 HydrophobicContact CZ-CB 3.82Å; W403-P405 HydrophobicContact CD2-CG 4.36Å; W403-P405 HydrophobicContact CH2-CG 4.26Å; W403-P405 HydrophobicContact CZ2-CG 3.82Å; P405-L408 PolarHBondContact O-N 2.83Å; P405-L409 WeakPolarHBondContact O-CB 3.36Å; P405-L409 PolarHBondContact O-N 2.96Å; P405-A427 HydrophobicContact CB-CB 4.32Å; P405-N428 HydrophobicContact CG-CB 4.1Å
406	E	86.9	Confident	86.2	Confident	55 Å²	55	55.9 Å²	55.9	26%	0.257	28%	0.279	S	S	.	.	H	α-helix	trans	-65.5	-43.7	-179.6	-165.7	71.6	-154.1	0	0	111.7	C404 L409 Q410 G425 A427	C404-E406 PolarHBondContact O-N 3.14Å; E406-L409 PolarHBondContact O-N 3.02Å; E406-Q410 WeakPolarHBondContact O-CG 3.31Å; E406-Q410 PolarHBondContact O-N 2.89Å; E406-G425 PolarHBondContact OE1-N 3.16Å; E406-G425 WeakPolarHBondContact OE2-CA 3.5Å; E406-G425 PolarHBondContact OE2-N 2.77Å; E406-A427 HydrophobicContact CB-CB 4.27Å; E406-A427 WeakPolarHBondContact OE2-CB 3.47Å; E406-A427 PolarHBondContact OE2-N 3.27Å
407	Q	83.3	Confident	86.4	Confident	80 Å²	80	53.4 Å²	53.4	37%	0.374	27%	0.267	S	S	.	.	H	α-helix	trans	-64.3	-45.8	176.6	-62.8	174.7	-5.5	0	0	111	C404 L409 Q410 C411 I599	C404-Q407 HydrophobicContact CB-CB 4.16Å; C404-Q407 HydrophobicContact CB-CG 4.33Å; C404-Q407 PolarHBondContact O-N 2.85Å; C404-Q407 PolarHBondContact SG-OE1 3.22Å; Q407-L409 VanDerWaalsContact C-N 3.29Å; Q407-L409 PolarHBondContact O-N 3.5Å; Q407-Q410 PolarHBondContact O-N 3.18Å; Q407-C411 PolarHBondContact O-N 3.14Å; Q407-C411 PolarHBondContact O-SG 2.89Å; Q407-I599 HydrophobicContact CG-CD1 3.95Å; Q407-I599 VanDerWaalsContact NE2-CD1 3.26Å
408	L	87.6	Confident	86.8	Confident	24 Å²	24	51.6 Å²	51.6	13%	0.126	26%	0.255	C	S	.	.	H	α-helix	trans	-61.8	-38	176.9	-70.6	171.3	0	0	0	111.4	K334 Y335 C404 P405 C411 V412	K334-L408 HydrophobicContact CB-CD1 4.47Å; K334-L408 HydrophobicContact CB-CD2 3.94Å; K334-L408 HydrophobicContact CD-CD2 4.46Å; Y335-L408 HydrophobicContact CD2-CB 4.06Å; C404-L408 WeakPolarHBondContact O-CB 3.35Å; C404-L408 WeakPolarHBondContact O-CG 3.43Å; C404-L408 PolarHBondContact O-N 3.26Å; P405-L408 PolarHBondContact O-N 2.83Å; L408-C411 WeakPolarHBondContact O-CB 3.08Å; L408-C411 PolarHBondContact O-N 3.35Å; L408-V412 VanDerWaalsContact O-CG2 3.31Å; L408-V412 WeakPolarHBondContact O-CG2 3.34Å; L408-V412 PolarHBondContact O-N 3.32Å
409	L	90.2	Very high	87.2	Confident	3 Å²	3	46.7 Å²	46.7	2%	0.016	23%	0.228	C	C	.	.	H	α-helix	trans	-68.5	-36	176	-169.5	62.4	0	0	0	112.3	Y335 P405 E406 Q407 V412 L413 M419 W423 A427 T432 V436	Y335-L409 HydrophobicContact CD2-CB 4.15Å; Y335-L409 HydrophobicContact CE1-CD1 4.44Å; Y335-L409 HydrophobicContact CE2-CB 3.88Å; Y335-L409 HydrophobicContact CE2-CD1 4.14Å; Y335-L409 HydrophobicContact CE2-CG 4.43Å; P405-L409 WeakPolarHBondContact O-CB 3.36Å; P405-L409 PolarHBondContact O-N 2.96Å; E406-L409 PolarHBondContact O-N 3.02Å; Q407-L409 VanDerWaalsContact C-N 3.29Å; Q407-L409 PolarHBondContact O-N 3.5Å; L409-V412 WeakPolarHBondContact O-CB 3.42Å; L409-V412 PolarHBondContact O-N 3.41Å; L409-L413 WeakPolarHBondContact O-CB 3.4Å; L409-L413 PolarHBondContact O-N 3.21Å; L409-M419 HydrophobicContact CD1-SD 4.34Å; L409-M419 HydrophobicContact CD2-SD 3.97Å; L409-M419 HydrophobicContact CG-SD 3.93Å; L409-W423 HydrophobicContact CD1-CE3 4.13Å; L409-W423 HydrophobicContact CD2-CB 4.2Å; L409-A427 HydrophobicContact CB-CB 4.07Å; L409-A427 HydrophobicContact CD2-CB 3.55Å; L409-A427 HydrophobicContact CG-CB 4.46Å; L409-T432 HydrophobicContact CD2-CG2 4.21Å; L409-V436 HydrophobicContact CD1-CG2 4.43Å
410	Q	86.8	Confident	87.7	Confident	43 Å²	43	40.3 Å²	40.3	20%	0.201	20%	0.2	C	C	.	.	H	α-helix	trans	-66.7	-39.2	172	-68.4	175.4	7.9	0	0	112.2	E406 Q407 V412 L413 A414 L595	E406-Q410 WeakPolarHBondContact O-CG 3.31Å; E406-Q410 PolarHBondContact O-N 2.89Å; Q407-Q410 PolarHBondContact O-N 3.18Å; Q410-V412 VanDerWaalsContact C-N 3.28Å; Q410-V412 PolarHBondContact O-N 3.35Å; Q410-L413 WeakPolarHBondContact O-CB 3.46Å; Q410-L413 PolarHBondContact O-N 2.87Å; Q410-A414 PolarHBondContact O-N 3.48Å; Q410-L595 HydrophobicContact CB-CD2 3.89Å
411	C	87.6	Confident	87.9	Confident	31 Å²	31	36.1 Å²	36.1	21%	0.209	18%	0.183	C	C	.	.	H	α-helix	trans	-61.1	-36.5	169.7	-64.2	0	0	0	0	112.2	P331 Q407 L408 H415 L595	P331-C411 HydrophobicContact CB-CB 3.91Å; Q407-C411 PolarHBondContact O-N 3.14Å; Q407-C411 PolarHBondContact O-SG 2.89Å; L408-C411 WeakPolarHBondContact O-CB 3.08Å; L408-C411 PolarHBondContact O-N 3.35Å; C411-H415 PolarHBondContact O-CD2 3.46Å; C411-H415 VanDerWaalsContact O-CD2 3.23Å; C411-L595 HydrophobicContact CB-CD1 4.27Å; C411-L595 VanDerWaalsContact SG-CD1 3.57Å
412	V	91.8	Very high	88.4	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.012	18%	0.184	C	C	.	.	H	α-helix	trans	-65.6	-50.7	173.5	169.2	0	0	0	0	110.2	P331 T332 L408 L409 Q410 A414 H415 I416	P331-V412 HydrophobicContact CB-CG2 4.11Å; T332-V412 VanDerWaalsContact CA-CG2 3.49Å; T332-V412 HydrophobicContact CG2-CG2 4.4Å; T332-V412 WeakPolarHBondContact OG1-CG2 3.28Å; L408-V412 VanDerWaalsContact O-CG2 3.31Å; L408-V412 WeakPolarHBondContact O-CG2 3.34Å; L408-V412 PolarHBondContact O-N 3.32Å; L409-V412 WeakPolarHBondContact O-CB 3.42Å; L409-V412 PolarHBondContact O-N 3.41Å; Q410-V412 VanDerWaalsContact C-N 3.28Å; Q410-V412 PolarHBondContact O-N 3.35Å; V412-A414 VanDerWaalsContact C-N 3.29Å; V412-A414 PolarHBondContact O-N 2.91Å; V412-H415 PolarHBondContact O-N 3.38Å; V412-I416 HydrophobicContact CG1-CD1 3.65Å; V412-I416 HydrophobicContact CG1-CG1 3.97Å; V412-I416 HydrophobicContact CG1-CG2 3.98Å; V412-I416 WeakPolarHBondContact O-CG1 3.33Å; V412-I416 PolarHBondContact O-N 3.42Å
413	L	91.1	Very high	88.8	Confident	8 Å²	8	31.5 Å²	31.5	4%	0.042	15%	0.153	C	C	.	.	H	α-helix	trans	-52.7	-45.1	178.3	172.6	59.1	0	0	0	112.1	L409 Q410 H415 I416 H417 M419 H696	L409-L413 WeakPolarHBondContact O-CB 3.4Å; L409-L413 PolarHBondContact O-N 3.21Å; Q410-L413 WeakPolarHBondContact O-CB 3.46Å; Q410-L413 PolarHBondContact O-N 2.87Å; L413-H415 PolarHBondContact O-N 3.24Å; L413-H415 VanDerWaalsContact O-N 3.08Å; L413-I416 PolarHBondContact O-N 3.11Å; L413-H417 WeakPolarHBondContact O-CA 3.49Å; L413-H417 PolarHBondContact O-N 2.7Å; L413-M419 HydrophobicContact CD1-CB 3.85Å; L413-M419 HydrophobicContact CD2-CE 4.18Å; L413-H696 HydrophobicContact CD2-CB 4.12Å
414	A	88.8	Confident	88.8	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-50.1	-36.2	177.8	0	0	0	0	0	112.8	Q410 V412 H417 I591 L595 S689 I693	Q410-A414 PolarHBondContact O-N 3.48Å; V412-A414 VanDerWaalsContact C-N 3.29Å; V412-A414 PolarHBondContact O-N 2.91Å; A414-H417 PolarHBondContact O-CD2 3.11Å; A414-H417 VanDerWaalsContact O-CD2 3.28Å; A414-I591 HydrophobicContact CB-CG2 3.91Å; A414-L595 HydrophobicContact CB-CD1 4.5Å; A414-S689 VanDerWaalsContact O-CA 3.3Å; A414-S689 WeakPolarHBondContact O-CA 3.42Å; A414-S689 WeakPolarHBondContact O-CB 3.48Å; A414-S689 PolarHBondContact O-OG 2.8Å; A414-S689 VanDerWaalsContact O-OG 3.05Å; A414-I693 HydrophobicContact CB-CD1 3.95Å; A414-I693 HydrophobicContact CB-CG1 4.35Å
415	H	90.3	Very high	88.8	Confident	16 Å²	16	27.1 Å²	27.1	7%	0.074	15%	0.148	C	C	.	.	H	α-helix	trans	-100.2	-32.7	178.5	-52.8	-62.5	0	0	0	114	R324 C411 V412 L413 H417 E588	R324-H415 VanDerWaalsContact CD-O 3.27Å; R324-H415 WeakPolarHBondContact CD-O 3.31Å; R324-H415 WeakPolarHBondContact CG-O 3.43Å; R324-H415 PolarHBondContact NH1-O 3.2Å; R324-H415 VanDerWaalsContact NH1-O 3.16Å; C411-H415 PolarHBondContact O-CD2 3.46Å; C411-H415 VanDerWaalsContact O-CD2 3.23Å; V412-H415 PolarHBondContact O-N 3.38Å; L413-H415 PolarHBondContact O-N 3.24Å; L413-H415 VanDerWaalsContact O-N 3.08Å; H415-H417 PolarHBondContact O-CD2 2.76Å; H415-E588 IonicContact CE1-OE2 3.62Å
416	I	92.5	Very high	88.9	Confident	3 Å²	3	28.8 Å²	28.8	2%	0.015	16%	0.156	C	C	.	.	H	α-helix	trans	-82.5	-19.8	-178.1	72.4	168.3	0	0	0	113.5	W303 L311 R324 V412 L413 Y418	W303-I416 HydrophobicContact CH2-CG2 3.58Å; W303-I416 HydrophobicContact CZ2-CG2 4.24Å; W303-I416 HydrophobicContact CZ3-CG2 4.23Å; L311-I416 HydrophobicContact CD1-CB 4.16Å; L311-I416 HydrophobicContact CD1-CG2 4.2Å; L311-I416 HydrophobicContact CD2-CB 4.1Å; L311-I416 HydrophobicContact CD2-CD1 4.08Å; L311-I416 HydrophobicContact CD2-CG1 4.41Å; R324-I416 VanDerWaalsContact NH1-C 3.26Å; R324-I416 PolarHBondContact NH1-O 3.2Å; V412-I416 HydrophobicContact CG1-CD1 3.65Å; V412-I416 HydrophobicContact CG1-CG1 3.97Å; V412-I416 HydrophobicContact CG1-CG2 3.98Å; V412-I416 WeakPolarHBondContact O-CG1 3.33Å; V412-I416 PolarHBondContact O-N 3.42Å; L413-I416 PolarHBondContact O-N 3.11Å; I416-Y418 WeakPolarHBondContact CD1-O 3.31Å; I416-Y418 PolarHBondContact O-N 3.25Å
417	H	94.3	Very high	89.1	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.144	C	C	.	.			trans	59.4	-24.6	-179.3	-49.8	172.5	0	0	0	116.3	H313 R324 L413 A414 H415 L526 M688 A692 H696	H313-H417 AromaticContact CE1-CE1 3.84Å; H313-H417 AromaticContact CE1-CG 4Å; H313-H417 AromaticContact CE1-ND1 3.1Å; H313-H417 PolarHBondContact CE1-ND1 3.36Å; H313-H417 AromaticContact NE2-CE1 3.93Å; H313-H417 AromaticContact NE2-CG 3.81Å; H313-H417 AromaticContact NE2-ND1 2.94Å; H313-H417 PolarHBondContact NE2-ND1 3.48Å; R324-H417 VanDerWaalsContact CD-CE1 3.41Å; R324-H417 WeakPolarHBondContact CD-CE1 3.33Å; L413-H417 WeakPolarHBondContact O-CA 3.49Å; L413-H417 PolarHBondContact O-N 2.7Å; A414-H417 PolarHBondContact O-CD2 3.11Å; A414-H417 VanDerWaalsContact O-CD2 3.28Å; H415-H417 PolarHBondContact O-CD2 2.76Å; H417-L526 WeakPolarHBondContact O-CD1 3.49Å; H417-M688 WeakPolarHBondContact CE1-CG 3.26Å; H417-A692 HydrophobicContact CB-CB 4.09Å; H417-H696 PolarHBondContact O-NE2 2.86Å
418	Y	93.5	Very high	89.5	Confident	3 Å²	3	26.8 Å²	26.8	1%	0.012	15%	0.15	C	C	.	.			trans	-112.3	122.9	-178.7	-63	-70.5	0	0	0	110.7	L311 H313 I416 K523 L526 S527	L311-Y418 VanDerWaalsContact O-CD2 3.23Å; L311-Y418 WeakPolarHBondContact O-CD2 3.31Å; L311-Y418 WeakPolarHBondContact O-CE2 3.19Å; H313-Y418 AromaticContact CD2-CE2 3.7Å; H313-Y418 AromaticContact CD2-CZ 3.68Å; H313-Y418 PolarHBondContact CD2-OH 3.31Å; H313-Y418 AromaticContact CE1-CE2 3.97Å; H313-Y418 AromaticContact CG-CE2 3.91Å; H313-Y418 AromaticContact NE2-CE2 3.76Å; I416-Y418 WeakPolarHBondContact CD1-O 3.31Å; I416-Y418 PolarHBondContact O-N 3.25Å; Y418-K523 HydrophobicContact CE1-CB 4.02Å; Y418-K523 HydrophobicContact CE1-CD 4.48Å; Y418-K523 HydrophobicContact CE1-CG 3.92Å; Y418-L526 HydrophobicContact CD1-CD1 3.88Å; Y418-L526 HydrophobicContact CE1-CB 3.99Å; Y418-L526 HydrophobicContact CE1-CD1 3.58Å; Y418-L526 HydrophobicContact CE1-CG 4.43Å; Y418-S527 PolarHBondContact OH-OG 3.47Å
419	M	90.3	Very high	89.7	Confident	8 Å²	8	30.1 Å²	30.1	4%	0.039	16%	0.163	C	C	.	.			trans	-143.5	134.7	177.3	-173.4	171.9	81.1	0	0	108	L409 L413 W423 R424	L409-M419 HydrophobicContact CD1-SD 4.34Å; L409-M419 HydrophobicContact CD2-SD 3.97Å; L409-M419 HydrophobicContact CG-SD 3.93Å; L413-M419 HydrophobicContact CD1-CB 3.85Å; L413-M419 HydrophobicContact CD2-CE 4.18Å; M419-W423 HydrophobicContact CE-CB 4.38Å; M419-W423 HydrophobicContact CG-CB 3.89Å; M419-W423 HydrophobicContact CG-CD2 3.9Å; M419-W423 HydrophobicContact CG-CE3 3.4Å; M419-W423 HydrophobicContact CG-CG 4.14Å; M419-W423 HydrophobicContact CG-CZ3 4.07Å; M419-W423 HydrophobicContact SD-CB 3.98Å; M419-W423 HydrophobicContact SD-CE3 3.98Å; M419-R424 HydrophobicContact CE-CB 3.84Å; M419-R424 HydrophobicContact CE-CG 4.33Å
420	P	90.1	Very high	89.7	Confident	14 Å²	14	33.3 Å²	33.3	9%	0.091	19%	0.186	C	C	.	.			trans	-61.9	142.9	168	-23.5	35.1	0	0	0	112.3	H422 W423	P420-H422 VanDerWaalsContact C-N 3.25Å; P420-H422 WeakPolarHBondContact CB-CE1 3.4Å; P420-H422 VanDerWaalsContact CB-ND1 3.33Å; P420-H422 WeakPolarHBondContact CB-ND1 3.35Å; P420-H422 PolarHBondContact O-N 3.38Å; P420-W423 HydrophobicContact CB-CG 4.35Å; P420-W423 VanDerWaalsContact CD-CE2 3.48Å; P420-W423 HydrophobicContact CG-CD2 4.22Å; P420-W423 HydrophobicContact CG-CG 4.5Å; P420-W423 HydrophobicContact CG-CZ2 3.79Å; P420-W423 WeakPolarHBondContact O-CB 3.36Å; P420-W423 PolarHBondContact O-N 3.49Å; P420-W423 VanDerWaalsContact O-N 3.16Å
421	D	86.6	Confident	90	Very high	80 Å²	80	36.4 Å²	36.4	43%	0.428	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-62.8	-32.3	-171.8	-49.6	-42.5	0	0	0	112.6	W423 R424 H699	D421-W423 PolarHBondContact O-N 2.93Å; D421-R424 PolarHBondContact O-N 3.04Å; D421-H699 IonicContact OD1-CD2 2.76Å; D421-H699 IonicContact OD1-NE2 3.45Å; D421-H699 PolarHBondContact OD1-NE2 3.41Å; D421-H699 IonicContact OD2-NE2 3.3Å
422	H	89	Confident	90.3	Very high	79 Å²	79	35 Å²	35	37%	0.366	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-71.7	-11.7	-179.1	69.3	-69.8	0	0	0	114.5	P420 N426 E435	P420-H422 VanDerWaalsContact C-N 3.25Å; P420-H422 WeakPolarHBondContact CB-CE1 3.4Å; P420-H422 VanDerWaalsContact CB-ND1 3.33Å; P420-H422 WeakPolarHBondContact CB-ND1 3.35Å; P420-H422 PolarHBondContact O-N 3.38Å; H422-N426 WeakPolarHBondContact O-CB 3.37Å; H422-N426 PolarHBondContact O-ND2 2.77Å; H422-E435 IonicContact CD2-OE1 3.25Å; H422-E435 IonicContact CE1-OE1 3.8Å; H422-E435 IonicContact CE1-OE2 3.7Å; H422-E435 PolarHBondContact CE1-OE2 3.1Å; H422-E435 VanDerWaalsContact NE2-CD 3.32Å; H422-E435 IonicContact NE2-OE1 3.66Å; H422-E435 PolarHBondContact NE2-OE1 2.88Å; H422-E435 IonicContact NE2-OE2 2.8Å; H422-E435 PolarHBondContact NE2-OE2 2.98Å
423	W	89.8	Confident	90.4	Very high	5 Å²	5	38.7 Å²	38.7	2%	0.019	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-73.9	-29.6	176.6	-69.1	15.1	0	0	0	112.5	L409 M419 P420 D421 N426 A427 T432 E435 V436 L439	L409-W423 HydrophobicContact CD1-CE3 4.13Å; L409-W423 HydrophobicContact CD2-CB 4.2Å; M419-W423 HydrophobicContact CE-CB 4.38Å; M419-W423 HydrophobicContact CG-CB 3.89Å; M419-W423 HydrophobicContact CG-CD2 3.9Å; M419-W423 HydrophobicContact CG-CE3 3.4Å; M419-W423 HydrophobicContact CG-CG 4.14Å; M419-W423 HydrophobicContact CG-CZ3 4.07Å; M419-W423 HydrophobicContact SD-CB 3.98Å; M419-W423 HydrophobicContact SD-CE3 3.98Å; P420-W423 HydrophobicContact CB-CG 4.35Å; P420-W423 VanDerWaalsContact CD-CE2 3.48Å; P420-W423 HydrophobicContact CG-CD2 4.22Å; P420-W423 HydrophobicContact CG-CG 4.5Å; P420-W423 HydrophobicContact CG-CZ2 3.79Å; P420-W423 WeakPolarHBondContact O-CB 3.36Å; P420-W423 PolarHBondContact O-N 3.49Å; P420-W423 VanDerWaalsContact O-N 3.16Å; D421-W423 PolarHBondContact O-N 2.93Å; W423-N426 CarbonylContact O-C 3.59Å; W423-N426 PolarHBondContact O-N 3.03Å; W423-N426 VanDerWaalsContact O-N 3.12Å; W423-A427 PolarHBondContact O-N 3.45Å; W423-T432 HydrophobicContact CB-CG2 3.71Å; W423-T432 HydrophobicContact CD2-CG2 3.87Å; W423-T432 HydrophobicContact CE3-CG2 4.36Å; W423-T432 HydrophobicContact CG-CG2 3.57Å; W423-E435 HydrophobicContact CZ2-CB 3.61Å; W423-E435 PolarHBondContact NE1-OE2 3.29Å; W423-V436 HydrophobicContact CD2-CG2 4.37Å; W423-V436 HydrophobicContact CE3-CG2 3.75Å; W423-V436 HydrophobicContact CH2-CB 4.38Å; W423-V436 HydrophobicContact CH2-CG2 3.5Å; W423-V436 VanDerWaalsContact CH2-CG2 3.5Å; W423-V436 HydrophobicContact CZ2-CG2 4.1Å; W423-V436 HydrophobicContact CZ3-CG2 3.31Å; W423-L439 HydrophobicContact CH2-CD1 3.75Å
424	R	82.3	Confident	90.4	Very high	48 Å²	48	41.9 Å²	41.9	18%	0.181	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	131.5	-174.2	-164.1	171.3	-176.6	161.9	3.9	111.1	M419 D421 N426 H696 E697	M419-R424 HydrophobicContact CE-CB 3.84Å; M419-R424 HydrophobicContact CE-CG 4.33Å; D421-R424 PolarHBondContact O-N 3.04Å; R424-N426 PolarHBondContact O-N 3.35Å; R424-H696 PolarHBondContact NH1-O 3.47Å; R424-E697 IonicContact CZ-OE1 2.7Å; R424-E697 IonicContact NH2-OE1 4Å; R424-E697 PolarHBondContact NH2-OE1 3.35Å
425	G	84.1	Confident	90.7	Very high	55 Å²	55	44.1 Å²	44.1	57%	0.567	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.4	1	-171.7	0	0	0	0	0	114.7	E406	E406-G425 PolarHBondContact OE1-N 3.16Å; E406-G425 WeakPolarHBondContact OE2-CA 3.5Å; E406-G425 PolarHBondContact OE2-N 2.77Å
426	N	90.2	Very high	90.9	Very high	46 Å²	46	43.5 Å²	43.5	25%	0.246	23%	0.23	C	C	.	.			trans	-121.7	13.8	178.7	-72.7	-45	0	0	0	111.8	H422 W423 R424 N428 K429 T432	H422-N426 WeakPolarHBondContact O-CB 3.37Å; H422-N426 PolarHBondContact O-ND2 2.77Å; W423-N426 CarbonylContact O-C 3.59Å; W423-N426 PolarHBondContact O-N 3.03Å; W423-N426 VanDerWaalsContact O-N 3.12Å; R424-N426 PolarHBondContact O-N 3.35Å; N426-N428 PolarHBondContact O-N 3.04Å; N426-K429 HydrophobicContact CB-CD 3.98Å; N426-K429 HydrophobicContact CB-CG 4.33Å; N426-K429 WeakPolarHBondContact O-CB 3.44Å; N426-K429 PolarHBondContact O-N 3.31Å; N426-K429 WeakPolarHBondContact OD1-CE 3.17Å; N426-K429 PolarHBondContact OD1-NZ 3.26Å; N426-T432 PolarHBondContact O-OG1 3.38Å
427	A	90.3	Very high	91	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-21	-172.5	0	0	0	0	0	114.2	Y335 F339 P405 E406 L409 W423	Y335-A427 HydrophobicContact CE2-CB 4.36Å; Y335-A427 PolarHBondContact OH-O 3.14Å; F339-A427 WeakPolarHBondContact CZ-O 3.36Å; P405-A427 HydrophobicContact CB-CB 4.32Å; E406-A427 HydrophobicContact CB-CB 4.27Å; E406-A427 WeakPolarHBondContact OE2-CB 3.47Å; E406-A427 PolarHBondContact OE2-N 3.27Å; L409-A427 HydrophobicContact CB-CB 4.07Å; L409-A427 HydrophobicContact CD2-CB 3.55Å; L409-A427 HydrophobicContact CG-CB 4.46Å; W423-A427 PolarHBondContact O-N 3.45Å
428	N	91.4	Very high	91	Very high	93 Å²	93	46.7 Å²	46.7	50%	0.497	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-7.5	176.7	65.4	-12.9	0	0	0	114.6	W403 P405 N426	W403-N428 HydrophobicContact CH2-CB 4.41Å; W403-N428 HydrophobicContact CZ2-CB 4.12Å; P405-N428 HydrophobicContact CG-CB 4.1Å; N426-N428 PolarHBondContact O-N 3.04Å
429	K	92.8	Very high	91.1	Very high	94 Å²	94	46.9 Å²	46.9	41%	0.409	25%	0.25	S	C	.	.	S	Bend	trans	-79.2	146.7	-177.7	-66	-173.2	-179.8	165.6	0	112.2	N426 E431 T432 R433	N426-K429 HydrophobicContact CB-CD 3.98Å; N426-K429 HydrophobicContact CB-CG 4.33Å; N426-K429 WeakPolarHBondContact O-CB 3.44Å; N426-K429 PolarHBondContact O-N 3.31Å; N426-K429 WeakPolarHBondContact OD1-CE 3.17Å; N426-K429 PolarHBondContact OD1-NZ 3.26Å; K429-E431 VanDerWaalsContact C-N 3.28Å; K429-E431 PolarHBondContact O-N 2.89Å; K429-T432 PolarHBondContact O-N 3.04Å; K429-R433 PolarHBondContact O-N 3.48Å; K429-R433 VanDerWaalsContact O-N 3.13Å
430	S	90.8	Very high	91.4	Very high	70 Å²	70	46.5 Å²	46.5	49%	0.49	25%	0.248	S	C	.	.	H	α-helix	trans	-62.8	-34.5	174.9	52.5	0	0	0	0	112.8	R433 D434	S430-R433 WeakPolarHBondContact O-CB 3.33Å; S430-R433 PolarHBondContact O-N 3.05Å; S430-D434 WeakPolarHBondContact O-CB 3.46Å; S430-D434 PolarHBondContact O-N 3.43Å
431	E	92	Very high	91.6	Very high	109 Å²	109	46.7 Å²	46.7	51%	0.509	25%	0.248	S	C	.	.	H	α-helix	trans	-55.4	-54.4	174.6	-178.3	175.1	-150.8	0	0	111.5	K429 R433 D434 E435	K429-E431 VanDerWaalsContact C-N 3.28Å; K429-E431 PolarHBondContact O-N 2.89Å; E431-R433 PolarHBondContact O-N 3.23Å; E431-D434 PolarHBondContact O-N 3.42Å; E431-D434 VanDerWaalsContact O-N 3.1Å; E431-E435 PolarHBondContact O-N 3.44Å
432	T	94.3	Very high	92	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.006	25%	0.246	C	C	.	.	H	α-helix	trans	-59.4	-42.9	175.6	-51.4	0	0	0	0	112.1	L409 W423 N426 K429 D434 V436	L409-T432 HydrophobicContact CD2-CG2 4.21Å; W423-T432 HydrophobicContact CB-CG2 3.71Å; W423-T432 HydrophobicContact CD2-CG2 3.87Å; W423-T432 HydrophobicContact CE3-CG2 4.36Å; W423-T432 HydrophobicContact CG-CG2 3.57Å; N426-T432 PolarHBondContact O-OG1 3.38Å; K429-T432 PolarHBondContact O-N 3.04Å; T432-D434 VanDerWaalsContact C-N 3.32Å; T432-D434 PolarHBondContact O-N 2.9Å; T432-V436 WeakPolarHBondContact O-CB 3.4Å; T432-V436 WeakPolarHBondContact O-CG2 3.48Å; T432-V436 PolarHBondContact O-N 2.84Å
433	R	93.3	Very high	92.1	Very high	80 Å²	80	46.5 Å²	46.5	30%	0.302	24%	0.24	S	C	.	.	H	α-helix	trans	-58.6	-42.5	173.8	178.8	-155.8	70.9	-167.2	-6.3	111.9	M336 F339 K429 S430 E431 V436 A437	M336-R433 HydrophobicContact CE-CG 3.79Å; M336-R433 WeakPolarHBondContact CE-O 3.34Å; M336-R433 HydrophobicContact SD-CG 4.37Å; F339-R433 VanDerWaalsContact CB-CD 3.46Å; F339-R433 HydrophobicContact CB-CG 4Å; F339-R433 HydrophobicContact CD1-CG 4.43Å; F339-R433 HydrophobicContact CD2-CB 4.48Å; F339-R433 HydrophobicContact CD2-CG 4.06Å; F339-R433 HydrophobicContact CG-CB 4.38Å; F339-R433 HydrophobicContact CG-CG 3.89Å; K429-R433 PolarHBondContact O-N 3.48Å; K429-R433 VanDerWaalsContact O-N 3.13Å; S430-R433 WeakPolarHBondContact O-CB 3.33Å; S430-R433 PolarHBondContact O-N 3.05Å; E431-R433 PolarHBondContact O-N 3.23Å; R433-V436 PolarHBondContact O-N 3.49Å; R433-A437 WeakPolarHBondContact O-CB 3.4Å; R433-A437 PolarHBondContact O-N 2.87Å
434	D	92.8	Very high	92.2	Very high	74 Å²	74	48.4 Å²	48.4	40%	0.396	26%	0.257	S	S	.	.	H	α-helix	trans	-75.7	-35.1	-173.6	-66.6	-20	0	0	0	111.7	S430 E431 T432 A437 Q438	S430-D434 WeakPolarHBondContact O-CB 3.46Å; S430-D434 PolarHBondContact O-N 3.43Å; E431-D434 PolarHBondContact O-N 3.42Å; E431-D434 VanDerWaalsContact O-N 3.1Å; T432-D434 VanDerWaalsContact C-N 3.32Å; T432-D434 PolarHBondContact O-N 2.9Å; D434-A437 WeakPolarHBondContact O-CB 3.36Å; D434-A437 PolarHBondContact O-N 2.87Å; D434-Q438 PolarHBondContact O-N 3.03Å
435	E	93.5	Very high	92.7	Very high	47 Å²	47	48.9 Å²	48.9	22%	0.22	27%	0.265	C	S	.	.	H	α-helix	trans	-67.6	-41.5	168.7	-67	-177.1	-149.4	0	0	112.6	H422 W423 E431 A437 Q438 L439	H422-E435 IonicContact CD2-OE1 3.25Å; H422-E435 IonicContact CE1-OE1 3.8Å; H422-E435 IonicContact CE1-OE2 3.7Å; H422-E435 PolarHBondContact CE1-OE2 3.1Å; H422-E435 VanDerWaalsContact NE2-CD 3.32Å; H422-E435 IonicContact NE2-OE1 3.66Å; H422-E435 PolarHBondContact NE2-OE1 2.88Å; H422-E435 IonicContact NE2-OE2 2.8Å; H422-E435 PolarHBondContact NE2-OE2 2.98Å; W423-E435 HydrophobicContact CZ2-CB 3.61Å; W423-E435 PolarHBondContact NE1-OE2 3.29Å; E431-E435 PolarHBondContact O-N 3.44Å; E435-A437 PolarHBondContact O-N 3.43Å; E435-Q438 WeakPolarHBondContact O-CB 3.46Å; E435-Q438 PolarHBondContact O-N 3.05Å; E435-Q438 VanDerWaalsContact O-N 3.08Å; E435-L439 PolarHBondContact O-N 2.79Å
436	V	95	Very high	93.2	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.024	24%	0.242	C	C	.	.	H	α-helix	trans	-59.8	-35.9	171.3	175.5	0	0	0	0	110.6	T332 Y335 M336 L409 W423 T432 R433 Q438 L439 F440	T332-V436 HydrophobicContact CG2-CG1 4.24Å; Y335-V436 HydrophobicContact CD1-CG1 4.11Å; Y335-V436 HydrophobicContact CE1-CB 4.11Å; Y335-V436 HydrophobicContact CE1-CG1 3.99Å; Y335-V436 HydrophobicContact CE1-CG2 3.91Å; M336-V436 HydrophobicContact CG-CG1 4.2Å; M336-V436 HydrophobicContact SD-CB 3.96Å; M336-V436 HydrophobicContact SD-CG1 3.46Å; M336-V436 WeakPolarHBondContact SD-CG1 3.27Å; L409-V436 HydrophobicContact CD1-CG2 4.43Å; W423-V436 HydrophobicContact CD2-CG2 4.37Å; W423-V436 HydrophobicContact CE3-CG2 3.75Å; W423-V436 HydrophobicContact CH2-CB 4.38Å; W423-V436 HydrophobicContact CH2-CG2 3.5Å; W423-V436 VanDerWaalsContact CH2-CG2 3.5Å; W423-V436 HydrophobicContact CZ2-CG2 4.1Å; W423-V436 HydrophobicContact CZ3-CG2 3.31Å; T432-V436 WeakPolarHBondContact O-CB 3.4Å; T432-V436 WeakPolarHBondContact O-CG2 3.48Å; T432-V436 PolarHBondContact O-N 2.84Å; R433-V436 PolarHBondContact O-N 3.49Å; V436-Q438 VanDerWaalsContact C-N 3.31Å; V436-Q438 PolarHBondContact O-N 3.49Å; V436-L439 PolarHBondContact O-N 3.21Å; V436-L439 VanDerWaalsContact O-N 3.11Å; V436-F440 PolarHBondContact O-N 2.91Å
437	A	94.5	Very high	93.4	Very high	25 Å²	25	46.5 Å²	46.5	21%	0.207	24%	0.238	C	C	.	.	H	α-helix	trans	-65.3	-29.4	175.8	0	0	0	0	0	113.4	M336 R433 D434 E435 L439 F440 Q441	M336-A437 HydrophobicContact CE-CB 3.81Å; R433-A437 WeakPolarHBondContact O-CB 3.4Å; R433-A437 PolarHBondContact O-N 2.87Å; D434-A437 WeakPolarHBondContact O-CB 3.36Å; D434-A437 PolarHBondContact O-N 2.87Å; E435-A437 PolarHBondContact O-N 3.43Å; A437-L439 VanDerWaalsContact C-N 3.31Å; A437-F440 CarbonylContact O-C 3.53Å; A437-F440 VanDerWaalsContact O-C 3.31Å; A437-F440 PolarHBondContact O-N 3.47Å; A437-Q441 VanDerWaalsContact O-CA 3.31Å; A437-Q441 WeakPolarHBondContact O-CA 3.42Å; A437-Q441 PolarHBondContact O-N 3.41Å; A437-Q441 VanDerWaalsContact O-N 3.13Å
438	Q	94.2	Very high	93.6	Very high	45 Å²	45	51.1 Å²	51.1	21%	0.21	26%	0.262	C	S	.	.	H	α-helix	trans	-67.6	-30.8	171.8	-63.1	172.3	7.4	0	0	112.1	N210 V212 S304 D434 E435 V436	N210-Q438 PolarHBondContact O-NE2 2.89Å; V212-Q438 HydrophobicContact CB-CB 4.5Å; V212-Q438 HydrophobicContact CG2-CB 4.11Å; V212-Q438 HydrophobicContact CG2-CG 3.98Å; V212-Q438 VanDerWaalsContact CG2-OE1 3.26Å; S304-Q438 VanDerWaalsContact CB-O 3.29Å; S304-Q438 WeakPolarHBondContact CB-O 3.46Å; S304-Q438 PolarHBondContact OG-O 2.86Å; D434-Q438 PolarHBondContact O-N 3.03Å; E435-Q438 WeakPolarHBondContact O-CB 3.46Å; E435-Q438 PolarHBondContact O-N 3.05Å; E435-Q438 VanDerWaalsContact O-N 3.08Å; V436-Q438 VanDerWaalsContact C-N 3.31Å; V436-Q438 PolarHBondContact O-N 3.49Å
439	L	95.7	Very high	93.7	Very high	8 Å²	8	47.9 Å²	47.9	4%	0.042	24%	0.244	C	C	.	.	H	α-helix	trans	-81.8	-32.2	173	-54	-172.3	0	0	0	112.4	W303 S304 Y306 Y310 L311 W423 E435 V436 A437	W303-L439 WeakPolarHBondContact CA-O 3.41Å; S304-L439 PolarHBondContact N-O 3.26Å; S304-L439 WeakPolarHBondContact OG-CA 3.32Å; S304-L439 PolarHBondContact OG-O 3.43Å; Y306-L439 HydrophobicContact CD1-CD2 3.84Å; Y306-L439 HydrophobicContact CE1-CD2 3.67Å; Y310-L439 HydrophobicContact CD1-CD1 4.15Å; Y310-L439 HydrophobicContact CD1-CD2 3.74Å; Y310-L439 HydrophobicContact CE1-CD1 4.31Å; Y310-L439 HydrophobicContact CE1-CD2 4.44Å; Y310-L439 HydrophobicContact CG-CD2 4.21Å; L311-L439 HydrophobicContact CD1-CD1 4.4Å; L311-L439 HydrophobicContact CD2-CD1 4.02Å; L311-L439 HydrophobicContact CG-CD1 4.35Å; W423-L439 HydrophobicContact CH2-CD1 3.75Å; E435-L439 PolarHBondContact O-N 2.79Å; V436-L439 PolarHBondContact O-N 3.21Å; V436-L439 VanDerWaalsContact O-N 3.11Å; A437-L439 VanDerWaalsContact C-N 3.31Å
440	F	96.6	Very high	93.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	64.7	-170.7	-162.6	-119.5	0	0	0	112.3	R301 R302 W303 Y329 T332 M336 V436 A437	R301-F440 HydrophobicContact CB-CD1 3.63Å; R301-F440 HydrophobicContact CB-CE1 3.32Å; R301-F440 HydrophobicContact CB-CE2 4.32Å; R301-F440 HydrophobicContact CB-CG 4.26Å; R301-F440 HydrophobicContact CB-CZ 3.7Å; R301-F440 HydrophobicContact CG-CD1 4.25Å; R301-F440 HydrophobicContact CG-CE1 4.19Å; R301-F440 PolarHBondContact NH1-O 3.46Å; R302-F440 CarbonylContact O-C 3.59Å; R302-F440 WeakPolarHBondContact O-CA 3.28Å; W303-F440 AromaticContact CD2-CD2 3.67Å; W303-F440 HydrophobicContact CD2-CD2 3.67Å; W303-F440 HydrophobicContact CD2-CE2 4.12Å; W303-F440 AromaticContact CE2-CD2 3.86Å; W303-F440 AromaticContact CE2-CE2 3.93Å; W303-F440 HydrophobicContact CE3-CB 4.38Å; W303-F440 AromaticContact CE3-CD2 3.81Å; W303-F440 HydrophobicContact CE3-CD2 3.81Å; W303-F440 HydrophobicContact CG-CD2 4.12Å; W303-F440 HydrophobicContact CG-CE2 4.34Å; W303-F440 HydrophobicContact CH2-CD2 4.3Å; W303-F440 HydrophobicContact CZ2-CD2 4.19Å; W303-F440 HydrophobicContact CZ2-CE2 4.33Å; W303-F440 HydrophobicContact CZ3-CB 4.29Å; W303-F440 HydrophobicContact CZ3-CD2 4.12Å; Y329-F440 AromaticContact CD2-CE2 3.62Å; Y329-F440 HydrophobicContact CD2-CE2 3.62Å; Y329-F440 AromaticContact CD2-CZ 3.65Å; Y329-F440 HydrophobicContact CD2-CZ 3.65Å; Y329-F440 AromaticContact CE2-CE2 3.79Å; Y329-F440 HydrophobicContact CE2-CE2 3.79Å; Y329-F440 AromaticContact CE2-CZ 3.58Å; Y329-F440 HydrophobicContact CE2-CZ 3.58Å; Y329-F440 HydrophobicContact CG-CZ 4.36Å; T332-F440 HydrophobicContact CG2-CB 3.95Å; T332-F440 HydrophobicContact CG2-CD1 3.48Å; T332-F440 VanDerWaalsContact CG2-CD1 3.48Å; T332-F440 HydrophobicContact CG2-CD2 4.25Å; T332-F440 HydrophobicContact CG2-CE1 3.97Å; T332-F440 HydrophobicContact CG2-CG 3.65Å; M336-F440 HydrophobicContact CG-CD1 4.04Å; V436-F440 PolarHBondContact O-N 2.91Å; A437-F440 CarbonylContact O-C 3.53Å; A437-F440 VanDerWaalsContact O-C 3.31Å; A437-F440 PolarHBondContact O-N 3.47Å
441	Q	95.2	Very high	94.1	Very high	18 Å²	18	43.5 Å²	43.5	8%	0.084	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	161.1	-174	72.5	-169.4	65.6	0	0	114	R301 R302 A437 F446 E449	R301-Q441 CarbonylContact C-O 3.53Å; R301-Q441 VanDerWaalsContact CA-O 3.31Å; R301-Q441 WeakPolarHBondContact CA-O 3.3Å; R302-Q441 HydrophobicContact CG-CG 4.44Å; R302-Q441 PolarHBondContact N-O 3.23Å; R302-Q441 PolarHBondContact O-N 3.01Å; R302-Q441 VanDerWaalsContact O-N 3.09Å; A437-Q441 VanDerWaalsContact O-CA 3.31Å; A437-Q441 WeakPolarHBondContact O-CA 3.42Å; A437-Q441 PolarHBondContact O-N 3.41Å; A437-Q441 VanDerWaalsContact O-N 3.13Å; Q441-F446 VanDerWaalsContact NE2-CA 3.27Å; Q441-E449 PolarHBondContact NE2-OE2 3.43Å
442	Y	93.4	Very high	94.2	Very high	100 Å²	100	41.7 Å²	41.7	39%	0.392	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	147	172.2	-72.7	-71.8	0	0	0	112.4	G299 R301 A444 V445 F446	G299-Y442 WeakPolarHBondContact O-CD1 3.44Å; G299-Y442 VanDerWaalsContact O-CE1 3.29Å; G299-Y442 WeakPolarHBondContact O-CE1 3.29Å; R301-Y442 HydrophobicContact CG-CD1 3.78Å; R301-Y442 HydrophobicContact CG-CE1 3.93Å; R301-Y442 HydrophobicContact CG-CG 4.39Å; R301-Y442 VanDerWaalsContact NH2-CE2 3.25Å; R301-Y442 PolarHBondContact NH2-OH 3.08Å; Y442-A444 VanDerWaalsContact C-N 3.31Å; Y442-A444 PolarHBondContact O-N 2.84Å; Y442-V445 PolarHBondContact O-N 2.99Å; Y442-F446 PolarHBondContact O-N 3.3Å
443	K	92.9	Very high	94.3	Very high	54 Å²	54	41.9 Å²	41.9	24%	0.235	21%	0.213	C	C	.	.	H	α-helix	trans	-63.4	-36.6	174.3	-174.6	-175.2	175.1	-170.2	0	111.8	S297 L298 A300 F446 I447	S297-K443 VanDerWaalsContact O-CD 3.26Å; S297-K443 WeakPolarHBondContact O-CD 3.43Å; L298-K443 HydrophobicContact CD2-CD 4Å; L298-K443 HydrophobicContact CD2-CG 4.26Å; A300-K443 VanDerWaalsContact O-CB 3.32Å; A300-K443 WeakPolarHBondContact O-CB 3.43Å; A300-K443 PolarHBondContact O-N 3.36Å; K443-F446 WeakPolarHBondContact O-CB 3.39Å; K443-F446 PolarHBondContact O-N 3.29Å; K443-I447 HydrophobicContact CG-CD1 4.41Å; K443-I447 WeakPolarHBondContact O-CG1 3.41Å; K443-I447 PolarHBondContact O-N 3.47Å; K443-I447 VanDerWaalsContact O-N 3.12Å
444	A	91.4	Very high	94.5	Very high	45 Å²	45	38.5 Å²	38.5	37%	0.372	20%	0.202	S	C	.	.	H	α-helix	trans	-58.9	-46.2	171.6	0	0	0	0	0	112.7	L298 Y442 F446 I447 L448	L298-A444 HydrophobicContact CB-CB 4.36Å; L298-A444 PolarHBondContact O-N 3.48Å; L298-A444 VanDerWaalsContact O-N 3.12Å; Y442-A444 VanDerWaalsContact C-N 3.31Å; Y442-A444 PolarHBondContact O-N 2.84Å; A444-F446 PolarHBondContact O-N 3.47Å; A444-I447 PolarHBondContact O-N 2.96Å; A444-L448 PolarHBondContact O-N 2.82Å
445	V	93.5	Very high	94.7	Very high	58 Å²	58	38.3 Å²	38.3	35%	0.352	20%	0.2	S	C	.	.	H	α-helix	trans	-62.7	-42.7	178	172.8	0	0	0	0	111	Y442 I447 L448 E449	Y442-V445 PolarHBondContact O-N 2.99Å; V445-I447 VanDerWaalsContact C-N 3.33Å; V445-I447 PolarHBondContact O-N 3.47Å; V445-L448 PolarHBondContact O-N 3.46Å; V445-E449 HydrophobicContact CG1-CG 4.32Å; V445-E449 VanDerWaalsContact CG1-OE1 3.32Å; V445-E449 WeakPolarHBondContact CG1-OE1 3.42Å; V445-E449 WeakPolarHBondContact O-CG 3.35Å; V445-E449 PolarHBondContact O-N 3.43Å
446	F	94.4	Very high	94.8	Very high	22 Å²	22	37.9 Å²	37.9	10%	0.096	20%	0.201	C	C	.	.	H	α-helix	trans	-56	-42.9	172.4	170.7	-95	0	0	0	113.5	Q441 Y442 K443 A444 E449 E450	Q441-F446 VanDerWaalsContact NE2-CA 3.27Å; Y442-F446 PolarHBondContact O-N 3.3Å; K443-F446 WeakPolarHBondContact O-CB 3.39Å; K443-F446 PolarHBondContact O-N 3.29Å; A444-F446 PolarHBondContact O-N 3.47Å; F446-E449 PolarHBondContact O-N 3.3Å; F446-E450 HydrophobicContact CD2-CG 4.32Å; F446-E450 HydrophobicContact CE1-CG 4.1Å; F446-E450 HydrophobicContact CE2-CG 3.71Å; F446-E450 HydrophobicContact CZ-CG 3.59Å; F446-E450 WeakPolarHBondContact O-CG 3.34Å; F446-E450 PolarHBondContact O-N 3.41Å
447	I	93.3	Very high	94.9	Very high	30 Å²	30	37.9 Å²	37.9	15%	0.154	20%	0.2	C	C	.	.	H	α-helix	trans	-67.2	-41.2	179.3	-64.8	165	0	0	0	110.2	Y287 L298 K443 A444 V445 E450 L451	Y287-I447 HydrophobicContact CD1-CD1 3.86Å; Y287-I447 HydrophobicContact CD2-CD1 3.8Å; Y287-I447 HydrophobicContact CD2-CG1 4.1Å; Y287-I447 HydrophobicContact CD2-CG2 4.09Å; Y287-I447 HydrophobicContact CE1-CD1 3.91Å; Y287-I447 HydrophobicContact CE1-CG1 4.37Å; Y287-I447 HydrophobicContact CE2-CD1 3.84Å; Y287-I447 HydrophobicContact CE2-CG1 3.71Å; Y287-I447 HydrophobicContact CE2-CG2 4.15Å; Y287-I447 HydrophobicContact CG-CD1 3.82Å; L298-I447 HydrophobicContact CD2-CD1 3.77Å; K443-I447 HydrophobicContact CG-CD1 4.41Å; K443-I447 WeakPolarHBondContact O-CG1 3.41Å; K443-I447 PolarHBondContact O-N 3.47Å; K443-I447 VanDerWaalsContact O-N 3.12Å; A444-I447 PolarHBondContact O-N 2.96Å; V445-I447 VanDerWaalsContact C-N 3.33Å; V445-I447 PolarHBondContact O-N 3.47Å; I447-E450 PolarHBondContact O-N 3.34Å; I447-L451 WeakPolarHBondContact O-CB 3.49Å; I447-L451 PolarHBondContact O-N 3.2Å
448	L	94	Very high	95	Very high	97 Å²	97	36.7 Å²	36.7	51%	0.508	19%	0.191	S	C	.	.	H	α-helix	trans	-63.7	-43.1	176.3	-178.4	61.9	0	0	0	112.1	A444 V445 L451 L452	A444-L448 PolarHBondContact O-N 2.82Å; V445-L448 PolarHBondContact O-N 3.46Å; L448-L451 PolarHBondContact O-N 2.99Å; L448-L452 HydrophobicContact CD1-CD1 4.03Å; L448-L452 HydrophobicContact CD1-CG 4.2Å; L448-L452 HydrophobicContact CG-CD1 3.98Å; L448-L452 WeakPolarHBondContact O-CB 3.32Å; L448-L452 VanDerWaalsContact O-CG 3.3Å; L448-L452 WeakPolarHBondContact O-CG 3.34Å; L448-L452 PolarHBondContact O-N 3.29Å
449	E	94.7	Very high	95.1	Very high	25 Å²	25	39.7 Å²	39.7	12%	0.117	20%	0.203	C	C	.	.	H	α-helix	trans	-61.4	-47	175.9	-74.8	168.6	-175.8	0	0	112.3	F213 T215 Q441 V445 F446 L451 L452 S453	F213-E449 HydrophobicContact CD2-CG 4.37Å; F213-E449 HydrophobicContact CE2-CB 4.21Å; F213-E449 HydrophobicContact CE2-CG 4.25Å; T215-E449 HydrophobicContact CG2-CB 4.08Å; T215-E449 WeakPolarHBondContact CG2-O 3.3Å; Q441-E449 PolarHBondContact NE2-OE2 3.43Å; V445-E449 HydrophobicContact CG1-CG 4.32Å; V445-E449 VanDerWaalsContact CG1-OE1 3.32Å; V445-E449 WeakPolarHBondContact CG1-OE1 3.42Å; V445-E449 WeakPolarHBondContact O-CG 3.35Å; V445-E449 PolarHBondContact O-N 3.43Å; F446-E449 PolarHBondContact O-N 3.3Å; E449-L451 VanDerWaalsContact C-N 3.29Å; E449-L451 PolarHBondContact O-N 3.08Å; E449-L452 PolarHBondContact O-N 3.49Å; E449-S453 WeakPolarHBondContact O-CB 3.24Å; E449-S453 PolarHBondContact O-N 2.91Å
450	E	95.6	Very high	95.1	Very high	19 Å²	19	39.5 Å²	39.5	9%	0.089	20%	0.202	C	C	.	.	H	α-helix	trans	-66.5	-30.9	177.1	-68.2	-66.2	167.6	0	0	112.2	Q216 F446 I447 S453	Q216-E450 WeakPolarHBondContact CG-OE1 3.4Å; Q216-E450 PolarHBondContact N-OE1 3.19Å; Q216-E450 PolarHBondContact N-OE2 2.94Å; F446-E450 HydrophobicContact CD2-CG 4.32Å; F446-E450 HydrophobicContact CE1-CG 4.1Å; F446-E450 HydrophobicContact CE2-CG 3.71Å; F446-E450 HydrophobicContact CZ-CG 3.59Å; F446-E450 WeakPolarHBondContact O-CG 3.34Å; F446-E450 PolarHBondContact O-N 3.41Å; I447-E450 PolarHBondContact O-N 3.34Å; E450-S453 WeakPolarHBondContact O-CB 3.28Å; E450-S453 PolarHBondContact O-N 3.12Å
451	L	95.4	Very high	95.1	Very high	53 Å²	53	39.5 Å²	39.5	28%	0.277	20%	0.202	S	C	.	.	H	α-helix	trans	-71.2	-39.3	174	-174.6	62.9	0	0	0	112.6	L276 Q279 V280 I447 L448 E449 S453 P454	L276-L451 HydrophobicContact CD1-CD1 4.34Å; L276-L451 WeakPolarHBondContact CD1-O 3.49Å; Q279-L451 HydrophobicContact CB-CD1 4.16Å; V280-L451 HydrophobicContact CB-CD1 4.48Å; V280-L451 HydrophobicContact CG2-CD1 3.7Å; I447-L451 WeakPolarHBondContact O-CB 3.49Å; I447-L451 PolarHBondContact O-N 3.2Å; L448-L451 PolarHBondContact O-N 2.99Å; E449-L451 VanDerWaalsContact C-N 3.29Å; E449-L451 PolarHBondContact O-N 3.08Å; L451-S453 VanDerWaalsContact C-N 3.31Å; L451-P454 WeakPolarHBondContact O-CD 3.47Å
452	L	95.2	Very high	95.2	Very high	71 Å²	71	39.6 Å²	39.6	37%	0.372	20%	0.203	S	C	.	.	H	α-helix	trans	-77.2	-18	174.5	-67.5	174.4	0	0	0	112.7	L448 E449 P454 I455 V456	L448-L452 HydrophobicContact CD1-CD1 4.03Å; L448-L452 HydrophobicContact CD1-CG 4.2Å; L448-L452 HydrophobicContact CG-CD1 3.98Å; L448-L452 WeakPolarHBondContact O-CB 3.32Å; L448-L452 VanDerWaalsContact O-CG 3.3Å; L448-L452 WeakPolarHBondContact O-CG 3.34Å; L448-L452 PolarHBondContact O-N 3.29Å; E449-L452 PolarHBondContact O-N 3.49Å; L452-P454 VanDerWaalsContact C-CD 3.41Å; L452-I455 WeakPolarHBondContact O-CB 3.24Å; L452-I455 PolarHBondContact O-N 2.93Å; L452-V456 HydrophobicContact CB-CG2 4.19Å; L452-V456 WeakPolarHBondContact O-CG2 3.44Å; L452-V456 PolarHBondContact O-N 3.32Å
453	S	96.6	Very high	95.3	Very high	4 Å²	4	40.6 Å²	40.6	3%	0.028	21%	0.21	C	C	.	.	H	α-helix	trans	-46.1	-47.6	-179	-170.6	0	0	0	0	114.8	T215 E449 E450 L451 I455 T457	T215-S453 WeakPolarHBondContact CB-OG 3.1Å; T215-S453 PolarHBondContact OG1-OG 3.34Å; E449-S453 WeakPolarHBondContact O-CB 3.24Å; E449-S453 PolarHBondContact O-N 2.91Å; E450-S453 WeakPolarHBondContact O-CB 3.28Å; E450-S453 PolarHBondContact O-N 3.12Å; L451-S453 VanDerWaalsContact C-N 3.31Å; S453-I455 VanDerWaalsContact C-N 3.26Å; S453-I455 PolarHBondContact O-N 3.23Å; S453-T457 WeakPolarHBondContact O-CB 3.49Å; S453-T457 PolarHBondContact O-N 3.41Å; S453-T457 PolarHBondContact O-OG1 2.95Å
454	P	96.6	Very high	95.4	Very high	10 Å²	10	41.4 Å²	41.4	7%	0.065	22%	0.216	C	C	.	.	H	α-helix	trans	-65.8	-31.4	-177.8	-19.6	35.3	0	0	0	112.6	C272 I275 L276 Q279 L451 L452 P458	C272-P454 PolarHBondContact SG-O 3.2Å; I275-P454 HydrophobicContact CB-CB 4.05Å; I275-P454 HydrophobicContact CB-CG 4.27Å; I275-P454 HydrophobicContact CG2-CB 3.89Å; I275-P454 HydrophobicContact CG2-CG 3.66Å; L276-P454 HydrophobicContact CB-CB 4.45Å; Q279-P454 HydrophobicContact CG-CG 4Å; L451-P454 WeakPolarHBondContact O-CD 3.47Å; L452-P454 VanDerWaalsContact C-CD 3.41Å; P454-P458 WeakPolarHBondContact O-CD 3.2Å
455	I	96.4	Very high	95.6	Very high	69 Å²	69	39.4 Å²	39.4	35%	0.354	20%	0.199	S	C	.	.	H	α-helix	trans	-78.2	-50.9	-179.7	-55.3	172.5	0	0	0	109.6	L276 L452 S453 P458 F459	L276-I455 HydrophobicContact CD1-CD1 4.25Å; L276-I455 HydrophobicContact CD1-CG1 4.44Å; L276-I455 HydrophobicContact CD2-CD1 4.13Å; L276-I455 HydrophobicContact CD2-CG1 4.38Å; L452-I455 WeakPolarHBondContact O-CB 3.24Å; L452-I455 PolarHBondContact O-N 2.93Å; S453-I455 VanDerWaalsContact C-N 3.26Å; S453-I455 PolarHBondContact O-N 3.23Å; I455-P458 WeakPolarHBondContact O-CD 3.29Å; I455-P458 VanDerWaalsContact O-CG 3.31Å; I455-P458 WeakPolarHBondContact O-CG 3.39Å; I455-F459 WeakPolarHBondContact O-CD2 3.3Å; I455-F459 VanDerWaalsContact O-CE2 3.25Å; I455-F459 WeakPolarHBondContact O-CE2 3.3Å
456	V	96	Very high	95.7	Very high	39 Å²	39	41.4 Å²	41.4	24%	0.236	20%	0.201	C	C	.	.	H	α-helix	trans	-77.7	-35.7	-171.2	-177	0	0	0	0	112.6	F213 L452 F459 I460	F213-V456 HydrophobicContact CD1-CG1 4.1Å; F213-V456 HydrophobicContact CE1-CB 3.9Å; F213-V456 HydrophobicContact CE1-CG1 3.82Å; F213-V456 HydrophobicContact CZ-CB 3.83Å; F213-V456 HydrophobicContact CZ-CG1 4.06Å; F213-V456 HydrophobicContact CZ-CG2 4.23Å; L452-V456 HydrophobicContact CB-CG2 4.19Å; L452-V456 WeakPolarHBondContact O-CG2 3.44Å; L452-V456 PolarHBondContact O-N 3.32Å; V456-F459 PolarHBondContact O-N 3.07Å; V456-F459 VanDerWaalsContact O-N 3.17Å; V456-I460 HydrophobicContact CG1-CD1 3.74Å; V456-I460 HydrophobicContact CG1-CG1 4.08Å; V456-I460 PolarHBondContact O-N 2.97Å
457	T	96.9	Very high	95.8	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.018	23%	0.227	C	C	.	.	H	α-helix	trans	-52	-51.1	-177.7	-64.5	0	0	0	0	114.4	L218 S453 F459 I460 L461	L218-T457 HydrophobicContact CB-CG2 4.5Å; L218-T457 HydrophobicContact CD1-CG2 4.03Å; S453-T457 WeakPolarHBondContact O-CB 3.49Å; S453-T457 PolarHBondContact O-N 3.41Å; S453-T457 PolarHBondContact O-OG1 2.95Å; T457-F459 VanDerWaalsContact C-N 3.29Å; T457-F459 PolarHBondContact O-N 3.36Å; T457-I460 PolarHBondContact O-N 2.95Å; T457-L461 HydrophobicContact CG2-CD1 3.91Å; T457-L461 HydrophobicContact CG2-CG 4.25Å; T457-L461 WeakPolarHBondContact O-CG 3.49Å; T457-L461 PolarHBondContact O-N 3.48Å
458	P	96.9	Very high	95.9	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-59.2	-36.5	179.9	21.6	-33.4	0	0	0	113.1	G265 N268 L269 P454 I455 L461 I462	G265-P458 WeakPolarHBondContact O-CB 3.29Å; N268-P458 HydrophobicContact CB-CB 4.18Å; L269-P458 HydrophobicContact CB-CB 3.92Å; L269-P458 HydrophobicContact CB-CG 4.39Å; L269-P458 HydrophobicContact CD1-CB 4.31Å; L269-P458 HydrophobicContact CD1-CG 4.1Å; P454-P458 WeakPolarHBondContact O-CD 3.2Å; I455-P458 WeakPolarHBondContact O-CD 3.29Å; I455-P458 VanDerWaalsContact O-CG 3.31Å; I455-P458 WeakPolarHBondContact O-CG 3.39Å; P458-L461 PolarHBondContact O-N 3.32Å; P458-I462 WeakPolarHBondContact O-CB 3.37Å; P458-I462 WeakPolarHBondContact O-CG1 3.49Å; P458-I462 PolarHBondContact O-N 2.95Å
459	F	95.9	Very high	95.9	Very high	108 Å²	108	43.3 Å²	43.3	47%	0.474	21%	0.211	S	C	.	.	H	α-helix	trans	-66.8	-43.7	176.5	-61.6	-85.3	0	0	0	112.1	I455 V456 T457 L461 I462 F463	I455-F459 WeakPolarHBondContact O-CD2 3.3Å; I455-F459 VanDerWaalsContact O-CE2 3.25Å; I455-F459 WeakPolarHBondContact O-CE2 3.3Å; V456-F459 PolarHBondContact O-N 3.07Å; V456-F459 VanDerWaalsContact O-N 3.17Å; T457-F459 VanDerWaalsContact C-N 3.29Å; T457-F459 PolarHBondContact O-N 3.36Å; F459-L461 VanDerWaalsContact C-N 3.29Å; F459-L461 PolarHBondContact O-N 2.93Å; F459-I462 PolarHBondContact O-N 3.22Å; F459-F463 HydrophobicContact CB-CD2 4.21Å; F459-F463 HydrophobicContact CD1-CD2 4.1Å; F459-F463 AromaticContact CD1-CE2 3.75Å; F459-F463 HydrophobicContact CD1-CE2 3.75Å; F459-F463 HydrophobicContact CE1-CE2 4.47Å; F459-F463 WeakPolarHBondContact O-CB 3.24Å; F459-F463 WeakPolarHBondContact O-CD2 3.36Å; F459-F463 PolarHBondContact O-N 3.33Å
460	I	96.4	Very high	96	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.021	22%	0.219	C	C	.	.	I	π-helix	trans	-59.5	-42.2	175.5	-64.1	173.8	0	0	0	110.7	P200 L203 F213 L218 V456 T457 L464 L465	P200-I460 HydrophobicContact CG-CG2 4.06Å; L203-I460 HydrophobicContact CD1-CD1 4.19Å; L203-I460 HydrophobicContact CD2-CD1 4.5Å; L203-I460 HydrophobicContact CD2-CG1 4.41Å; F213-I460 HydrophobicContact CD1-CD1 3.51Å; F213-I460 HydrophobicContact CE1-CD1 4.09Å; F213-I460 HydrophobicContact CG-CD1 4.36Å; L218-I460 HydrophobicContact CD1-CB 4.25Å; L218-I460 HydrophobicContact CD1-CG2 3.9Å; L218-I460 HydrophobicContact CD2-CD1 3.87Å; L218-I460 HydrophobicContact CD2-CG2 4.19Å; V456-I460 HydrophobicContact CG1-CD1 3.74Å; V456-I460 HydrophobicContact CG1-CG1 4.08Å; V456-I460 PolarHBondContact O-N 2.97Å; T457-I460 PolarHBondContact O-N 2.95Å; I460-L464 HydrophobicContact CG1-CD1 4.34Å; I460-L464 HydrophobicContact CG2-CD1 4.4Å; I460-L464 WeakPolarHBondContact O-CB 3.46Å; I460-L464 PolarHBondContact O-N 3.39Å; I460-L464 VanDerWaalsContact O-N 3.13Å; I460-L465 PolarHBondContact O-N 3.13Å
461	L	96.7	Very high	96	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.233	C	C	.	.	I	π-helix	trans	-66.1	-50.9	178.2	-64.9	177.1	0	0	0	112	L218 N221 F222 I225 I261 I264 T457 P458 F459 L465 R466	L218-L461 HydrophobicContact CD1-CD2 4.2Å; N221-L461 HydrophobicContact CB-CD1 3.92Å; N221-L461 HydrophobicContact CB-CD2 4.3Å; F222-L461 HydrophobicContact CD1-CD2 4.21Å; F222-L461 HydrophobicContact CE1-CD2 4.06Å; I225-L461 HydrophobicContact CD1-CD2 3.79Å; I261-L461 HydrophobicContact CG2-CB 4.47Å; I261-L461 WeakPolarHBondContact CG2-O 3.32Å; I264-L461 HydrophobicContact CG2-CD1 4.38Å; T457-L461 HydrophobicContact CG2-CD1 3.91Å; T457-L461 HydrophobicContact CG2-CG 4.25Å; T457-L461 WeakPolarHBondContact O-CG 3.49Å; T457-L461 PolarHBondContact O-N 3.48Å; P458-L461 PolarHBondContact O-N 3.32Å; F459-L461 VanDerWaalsContact C-N 3.29Å; F459-L461 PolarHBondContact O-N 2.93Å; L461-L465 HydrophobicContact CD2-CD2 3.67Å; L461-R466 PolarHBondContact O-N 2.7Å
462	I	96.8	Very high	96.1	Very high	20 Å²	20	45.2 Å²	45.2	10%	0.103	22%	0.22	C	C	.	.	I	π-helix	trans	-69.9	-42.7	-173.1	-67.4	169.2	0	0	0	112.1	L262 L266 P458 F459 R466	L262-I462 HydrophobicContact CD1-CG1 4.34Å; L262-I462 HydrophobicContact CD1-CG2 4.05Å; L266-I462 HydrophobicContact CD2-CD1 4.26Å; P458-I462 WeakPolarHBondContact O-CB 3.37Å; P458-I462 WeakPolarHBondContact O-CG1 3.49Å; P458-I462 PolarHBondContact O-N 2.95Å; F459-I462 PolarHBondContact O-N 3.22Å; I462-R466 WeakPolarHBondContact O-CB 3.23Å; I462-R466 WeakPolarHBondContact O-CD 3.44Å
463	F	95.3	Very high	96.1	Very high	121 Å²	121	42 Å²	42	53%	0.531	20%	0.203	S	C	.	.	I	π-helix	trans	-102.2	-33.8	-169.7	-61.8	-75.1	0	0	0	114	F459 N467	F459-F463 HydrophobicContact CB-CD2 4.21Å; F459-F463 HydrophobicContact CD1-CD2 4.1Å; F459-F463 AromaticContact CD1-CE2 3.75Å; F459-F463 HydrophobicContact CD1-CE2 3.75Å; F459-F463 HydrophobicContact CE1-CE2 4.47Å; F459-F463 WeakPolarHBondContact O-CB 3.24Å; F459-F463 WeakPolarHBondContact O-CD2 3.36Å; F459-F463 PolarHBondContact O-N 3.33Å; F463-N467 PolarHBondContact O-ND2 3.47Å; F463-N467 VanDerWaalsContact O-ND2 3.11Å
464	L	95.5	Very high	96	Very high	71 Å²	71	42.8 Å²	42.8	37%	0.372	21%	0.207	S	C	.	.	I	π-helix	trans	-100.6	-54.2	-175.6	-55.4	176.6	0	0	0	112.4	P200 L203 I460 R466 N467	P200-L464 HydrophobicContact CB-CB 3.64Å; P200-L464 HydrophobicContact CB-CD1 4.3Å; P200-L464 HydrophobicContact CG-CB 3.82Å; L203-L464 HydrophobicContact CD2-CD1 3.45Å; L203-L464 VanDerWaalsContact CD2-CD1 3.45Å; I460-L464 HydrophobicContact CG1-CD1 4.34Å; I460-L464 HydrophobicContact CG2-CD1 4.4Å; I460-L464 WeakPolarHBondContact O-CB 3.46Å; I460-L464 PolarHBondContact O-N 3.39Å; I460-L464 VanDerWaalsContact O-N 3.13Å; L464-R466 VanDerWaalsContact C-N 3.33Å; L464-R466 PolarHBondContact O-N 2.96Å; L464-N467 PolarHBondContact O-N 3Å
465	L	96.1	Very high	96	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.016	20%	0.204	C	C	.	.	I	π-helix	trans	-66.7	-37.8	-176.5	-173.1	73.7	0	0	0	111.6	L199 P200 F222 I225 I261 I460 L461 N467 K468 I472	L199-L465 HydrophobicContact CD2-CD1 4.07Å; P200-L465 HydrophobicContact CG-CB 4.07Å; P200-L465 HydrophobicContact CG-CD1 4.19Å; F222-L465 HydrophobicContact CD1-CD1 4.3Å; F222-L465 HydrophobicContact CD1-CD2 3.9Å; F222-L465 HydrophobicContact CE1-CD1 3.9Å; F222-L465 HydrophobicContact CE1-CD2 3.88Å; F222-L465 HydrophobicContact CE1-CG 4.35Å; I225-L465 HydrophobicContact CD1-CD2 3.92Å; I261-L465 HydrophobicContact CD1-CD2 4.08Å; I261-L465 HydrophobicContact CD1-CG 4.07Å; I261-L465 HydrophobicContact CG1-CD2 4.08Å; I261-L465 HydrophobicContact CG2-CB 4.35Å; I261-L465 HydrophobicContact CG2-CD2 4.08Å; I261-L465 HydrophobicContact CG2-CG 4.42Å; I460-L465 PolarHBondContact O-N 3.13Å; L461-L465 HydrophobicContact CD2-CD2 3.67Å; L465-N467 VanDerWaalsContact C-N 3.26Å; L465-N467 PolarHBondContact O-N 3.01Å; L465-K468 PolarHBondContact O-N 3.35Å; L465-K468 VanDerWaalsContact O-N 3.16Å; L465-I472 HydrophobicContact CD1-CD1 3.81Å; L465-I472 HydrophobicContact CG-CD1 4.46Å
466	R	95.7	Very high	96	Very high	100 Å²	100	39.1 Å²	39.1	38%	0.377	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-39.2	179.3	-172.2	-175.2	169.8	-154	-6.9	112.7	S258 I261 L461 I462 L464 S469	S258-R466 WeakPolarHBondContact OG-CG 3.4Å; S258-R466 PolarHBondContact OG-NE 3.18Å; I261-R466 HydrophobicContact CG2-CB 4.15Å; L461-R466 PolarHBondContact O-N 2.7Å; I462-R466 WeakPolarHBondContact O-CB 3.23Å; I462-R466 WeakPolarHBondContact O-CD 3.44Å; L464-R466 VanDerWaalsContact C-N 3.33Å; L464-R466 PolarHBondContact O-N 2.96Å; R466-S469 WeakPolarHBondContact O-CB 3.16Å; R466-S469 PolarHBondContact O-N 3.27Å; R466-S469 PolarHBondContact O-OG 3.14Å; R466-S469 VanDerWaalsContact O-OG 3.05Å
467	N	94.7	Very high	95.9	Very high	123 Å²	123	39.8 Å²	39.8	66%	0.658	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-33.2	-178.3	-66.1	-7.9	0	0	0	111.6	F463 L464 L465 S469	F463-N467 PolarHBondContact O-ND2 3.47Å; F463-N467 VanDerWaalsContact O-ND2 3.11Å; L464-N467 PolarHBondContact O-N 3Å; L465-N467 VanDerWaalsContact C-N 3.26Å; L465-N467 PolarHBondContact O-N 3.01Å; N467-S469 PolarHBondContact O-N 3.26Å
468	K	95.9	Very high	95.7	Very high	55 Å²	55	42.5 Å²	42.5	24%	0.239	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	6	176	-65.9	-161.3	165.6	-131	0	114.6	S197 L198 L465 L470 E471 I472	S197-K468 PolarHBondContact O-NZ 3.11Å; L198-K468 WeakPolarHBondContact O-CD 3.47Å; L465-K468 PolarHBondContact O-N 3.35Å; L465-K468 VanDerWaalsContact O-N 3.16Å; K468-L470 PolarHBondContact O-N 3.08Å; K468-L470 VanDerWaalsContact O-N 3.17Å; K468-E471 IonicContact NZ-OE2 3.26Å; K468-E471 PolarHBondContact NZ-OE2 2.9Å; K468-E471 PolarHBondContact O-N 3.38Å; K468-I472 HydrophobicContact CB-CD1 4.39Å; K468-I472 WeakPolarHBondContact O-CG1 3.41Å; K468-I472 PolarHBondContact O-N 2.9Å
469	S	95.4	Very high	95.7	Very high	11 Å²	11	42.6 Å²	42.6	8%	0.077	20%	0.2	C	C	.	.	H	α-helix	trans	-58.7	-32.4	-176.4	60.6	0	0	0	0	113.7	A254 R466 N467 I473	A254-S469 PolarHBondContact O-OG 3.31Å; R466-S469 WeakPolarHBondContact O-CB 3.16Å; R466-S469 PolarHBondContact O-N 3.27Å; R466-S469 PolarHBondContact O-OG 3.14Å; R466-S469 VanDerWaalsContact O-OG 3.05Å; N467-S469 PolarHBondContact O-N 3.26Å; S469-I473 WeakPolarHBondContact O-CG1 3.35Å; S469-I473 PolarHBondContact O-N 3.45Å
470	L	95.9	Very high	95.6	Very high	53 Å²	53	38.4 Å²	38.4	28%	0.277	18%	0.184	S	C	.	.	H	α-helix	trans	-71.1	-47.1	177.5	-177.8	60	0	0	0	112	R250 L251 A254 K468 I472 I473 D474	R250-L470 HydrophobicContact CG-CD1 4.47Å; L251-L470 HydrophobicContact CD2-CD1 4.1Å; L251-L470 HydrophobicContact CD2-CD2 4.26Å; A254-L470 HydrophobicContact CB-CB 4.16Å; A254-L470 HydrophobicContact CB-CD1 3.9Å; K468-L470 PolarHBondContact O-N 3.08Å; K468-L470 VanDerWaalsContact O-N 3.17Å; L470-I472 VanDerWaalsContact C-N 3.26Å; L470-I472 PolarHBondContact O-N 3.17Å; L470-I473 PolarHBondContact O-N 3.01Å; L470-I473 VanDerWaalsContact O-N 3.16Å; L470-D474 PolarHBondContact O-N 3.24Å
471	E	95.6	Very high	95.5	Very high	83 Å²	83	39.6 Å²	39.6	39%	0.388	19%	0.191	S	C	.	.	H	α-helix	trans	-56.6	-41.4	175.3	-66.1	166	-134.2	0	0	111.4	L198 K468 D474 F475	L198-E471 HydrophobicContact CD2-CB 4Å; K468-E471 IonicContact NZ-OE2 3.26Å; K468-E471 PolarHBondContact NZ-OE2 2.9Å; K468-E471 PolarHBondContact O-N 3.38Å; E471-D474 PolarHBondContact O-N 3.04Å; E471-F475 VanDerWaalsContact O-CB 3.3Å; E471-F475 WeakPolarHBondContact O-CB 3.41Å; E471-F475 PolarHBondContact O-N 3.44Å
472	I	96.5	Very high	95.4	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-64	-43.5	177.8	-66.8	166.1	0	0	0	111.2	L226 L257 L465 K468 L470 F475 F476	L226-I472 HydrophobicContact CD2-CG2 3.85Å; L257-I472 HydrophobicContact CD2-CB 4.17Å; L257-I472 HydrophobicContact CD2-CG2 3.81Å; L465-I472 HydrophobicContact CD1-CD1 3.81Å; L465-I472 HydrophobicContact CG-CD1 4.46Å; K468-I472 HydrophobicContact CB-CD1 4.39Å; K468-I472 WeakPolarHBondContact O-CG1 3.41Å; K468-I472 PolarHBondContact O-N 2.9Å; L470-I472 VanDerWaalsContact C-N 3.26Å; L470-I472 PolarHBondContact O-N 3.17Å; I472-F475 PolarHBondContact O-N 3.32Å; I472-F476 HydrophobicContact CG2-CD2 3.9Å; I472-F476 HydrophobicContact CG2-CE2 3.96Å; I472-F476 WeakPolarHBondContact O-CD2 3.28Å; I472-F476 PolarHBondContact O-N 3.5Å
473	I	95.9	Very high	95	Very high	3 Å²	3	46 Å²	46	2%	0.015	22%	0.222	C	C	.	.	H	α-helix	trans	-65.8	-42.9	176.6	-67.4	-62.4	0	0	0	111.4	L233 Y244 L253 A254 L257 S469 L470 F475 F476 R477	L233-I473 HydrophobicContact CD2-CD1 3.92Å; Y244-I473 HydrophobicContact CD1-CD1 3.78Å; Y244-I473 HydrophobicContact CE1-CD1 3.67Å; L253-I473 HydrophobicContact CB-CD1 4.42Å; L253-I473 HydrophobicContact CB-CG2 4.28Å; A254-I473 HydrophobicContact CB-CG1 4.24Å; L257-I473 HydrophobicContact CB-CD1 4.36Å; L257-I473 HydrophobicContact CD2-CD1 3.86Å; L257-I473 HydrophobicContact CD2-CG1 3.99Å; S469-I473 WeakPolarHBondContact O-CG1 3.35Å; S469-I473 PolarHBondContact O-N 3.45Å; L470-I473 PolarHBondContact O-N 3.01Å; L470-I473 VanDerWaalsContact O-N 3.16Å; I473-F475 VanDerWaalsContact C-N 3.31Å; I473-F475 PolarHBondContact O-N 2.98Å; I473-F476 PolarHBondContact O-N 2.89Å; I473-R477 PolarHBondContact O-N 3.36Å
474	D	95.1	Very high	94.5	Very high	21 Å²	21	45.8 Å²	45.8	11%	0.112	23%	0.23	C	C	.	.	H	α-helix	trans	-62.5	-38.5	175	-77.1	-35.2	0	0	0	111.8	R250 L470 E471 R477 N478	R250-D474 IonicContact CZ-OD1 3.63Å; R250-D474 IonicContact CZ-OD2 2.68Å; R250-D474 IonicContact NH1-OD1 2.64Å; R250-D474 PolarHBondContact NH1-OD1 3.28Å; R250-D474 IonicContact NH1-OD2 3.88Å; R250-D474 PolarHBondContact NH1-OD2 3.21Å; L470-D474 PolarHBondContact O-N 3.24Å; E471-D474 PolarHBondContact O-N 3.04Å; D474-R477 PolarHBondContact O-N 3.49Å; D474-R477 IonicContact OD1-CZ 2.87Å; D474-R477 IonicContact OD1-NH1 3.57Å; D474-R477 PolarHBondContact OD1-NH1 3.42Å; D474-R477 IonicContact OD1-NH2 2.8Å; D474-R477 PolarHBondContact OD1-NH2 3.46Å; D474-N478 VanDerWaalsContact O-CB 3.27Å; D474-N478 WeakPolarHBondContact O-CB 3.22Å; D474-N478 PolarHBondContact O-N 3.46Å; D474-N478 PolarHBondContact O-ND2 3.24Å; D474-N478 PolarHBondContact O-OD1 3.15Å
475	F	96.1	Very high	93.8	Very high	1 Å²	1	43.4 Å²	43.4	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-62	-51	175.1	170.1	-93.5	0	0	0	112	Y189 A192 M193 L198 E471 I472 I473 R477 N478 F479 F492	Y189-F475 AromaticContact CD1-CE1 3.95Å; Y189-F475 HydrophobicContact CD1-CE1 3.95Å; Y189-F475 HydrophobicContact CD1-CZ 4.36Å; A192-F475 HydrophobicContact CB-CE2 4.14Å; A192-F475 HydrophobicContact CB-CZ 3.8Å; M193-F475 HydrophobicContact CG-CD1 3.92Å; M193-F475 HydrophobicContact CG-CE1 3.38Å; M193-F475 HydrophobicContact CG-CE2 4.32Å; M193-F475 HydrophobicContact CG-CZ 3.63Å; M193-F475 HydrophobicContact SD-CD1 4.32Å; M193-F475 HydrophobicContact SD-CE1 4.02Å; L198-F475 HydrophobicContact CD1-CB 3.64Å; L198-F475 HydrophobicContact CD1-CD1 4.17Å; L198-F475 HydrophobicContact CD1-CD2 3.27Å; L198-F475 HydrophobicContact CD1-CE2 3.94Å; L198-F475 HydrophobicContact CD1-CG 3.42Å; L198-F475 VanDerWaalsContact CD1-CG 3.42Å; E471-F475 VanDerWaalsContact O-CB 3.3Å; E471-F475 WeakPolarHBondContact O-CB 3.41Å; E471-F475 PolarHBondContact O-N 3.44Å; I472-F475 PolarHBondContact O-N 3.32Å; I473-F475 VanDerWaalsContact C-N 3.31Å; I473-F475 PolarHBondContact O-N 2.98Å; F475-R477 VanDerWaalsContact C-N 3.26Å; F475-R477 PolarHBondContact O-N 3.19Å; F475-N478 PolarHBondContact O-N 2.9Å; F475-F479 HydrophobicContact CB-CD2 4.37Å; F475-F479 HydrophobicContact CD2-CB 4.28Å; F475-F479 AromaticContact CD2-CD2 3.32Å; F475-F479 HydrophobicContact CD2-CD2 3.32Å; F475-F479 AromaticContact CD2-CE2 3.92Å; F475-F479 HydrophobicContact CD2-CE2 3.92Å; F475-F479 HydrophobicContact CD2-CG 4.11Å; F475-F479 HydrophobicContact CE2-CB 4.12Å; F475-F479 AromaticContact CE2-CD2 3.8Å; F475-F479 HydrophobicContact CE2-CD2 3.8Å; F475-F479 HydrophobicContact CE2-CG 4.16Å; F475-F479 HydrophobicContact CG-CD2 4.04Å; F475-F479 HydrophobicContact CZ-CB 4.47Å; F475-F479 WeakPolarHBondContact O-CB 3.15Å; F475-F479 WeakPolarHBondContact O-CD2 3.29Å; F475-F479 PolarHBondContact O-N 3.33Å; F475-F492 HydrophobicContact CE2-CE2 4.12Å
476	F	95.7	Very high	93.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66	-26	177.7	-83.3	-76.1	0	0	0	113.3	Y189 M193 L226 F227 L233 F234 L240 I472 I473 T480	Y189-F476 HydrophobicContact CD1-CD1 4.15Å; Y189-F476 AromaticContact CD1-CE1 3.55Å; Y189-F476 HydrophobicContact CD1-CE1 3.55Å; Y189-F476 HydrophobicContact CD1-CZ 4.24Å; Y189-F476 HydrophobicContact CD2-CE1 4.32Å; Y189-F476 AromaticContact CE1-CD1 3.84Å; Y189-F476 HydrophobicContact CE1-CD1 3.84Å; Y189-F476 AromaticContact CE1-CE1 3.65Å; Y189-F476 HydrophobicContact CE1-CE1 3.65Å; Y189-F476 HydrophobicContact CE2-CE1 4.43Å; Y189-F476 AromaticContact CG-CE1 3.9Å; Y189-F476 HydrophobicContact CG-CE1 3.9Å; Y189-F476 HydrophobicContact CG-CZ 4.42Å; M193-F476 HydrophobicContact SD-CE2 4.07Å; M193-F476 HydrophobicContact SD-CZ 4.26Å; L226-F476 HydrophobicContact CD2-CE2 4.18Å; F227-F476 HydrophobicContact CE1-CE1 4.11Å; F227-F476 AromaticContact CE1-CZ 3.78Å; F227-F476 HydrophobicContact CE1-CZ 3.78Å; F227-F476 HydrophobicContact CZ-CZ 4.44Å; L233-F476 HydrophobicContact CD2-CB 4Å; L233-F476 HydrophobicContact CD2-CD2 3.53Å; L233-F476 HydrophobicContact CD2-CE2 4.13Å; L233-F476 HydrophobicContact CD2-CG 3.77Å; F234-F476 HydrophobicContact CE2-CD1 4.36Å; F234-F476 AromaticContact CE2-CE1 3.88Å; F234-F476 HydrophobicContact CE2-CE1 3.88Å; F234-F476 HydrophobicContact CZ-CE1 4.47Å; L240-F476 HydrophobicContact CD1-CD1 4.23Å; I472-F476 HydrophobicContact CG2-CD2 3.9Å; I472-F476 HydrophobicContact CG2-CE2 3.96Å; I472-F476 WeakPolarHBondContact O-CD2 3.28Å; I472-F476 PolarHBondContact O-N 3.5Å; I473-F476 PolarHBondContact O-N 2.89Å; F476-T480 VanDerWaalsContact O-CB 3.26Å; F476-T480 WeakPolarHBondContact O-CB 3.32Å; F476-T480 PolarHBondContact O-OG1 2.93Å
477	R	94.3	Very high	93	Very high	54 Å²	54	39.4 Å²	39.4	20%	0.204	21%	0.212	C	C	.	.	H	α-helix	trans	-72.8	-48.4	171.2	-172.8	-172.9	64.4	-115.7	-15.1	111.7	Y244 I473 D474 F475	Y244-R477 WeakPolarHBondContact O-CB 3.44Å; Y244-R477 WeakPolarHBondContact O-CG 3.27Å; I473-R477 PolarHBondContact O-N 3.36Å; D474-R477 PolarHBondContact O-N 3.49Å; D474-R477 IonicContact OD1-CZ 2.87Å; D474-R477 IonicContact OD1-NH1 3.57Å; D474-R477 PolarHBondContact OD1-NH1 3.42Å; D474-R477 IonicContact OD1-NH2 2.8Å; D474-R477 PolarHBondContact OD1-NH2 3.46Å; F475-R477 VanDerWaalsContact C-N 3.26Å; F475-R477 PolarHBondContact O-N 3.19Å
478	N	93.7	Very high	92.9	Very high	59 Å²	59	33.6 Å²	33.6	32%	0.316	18%	0.181	S	C	.	.	H	α-helix	trans	-82	-28.4	-169.1	-65	-6.2	0	0	0	113.2	D474 F475 R499 Y516	D474-N478 VanDerWaalsContact O-CB 3.27Å; D474-N478 WeakPolarHBondContact O-CB 3.22Å; D474-N478 PolarHBondContact O-N 3.46Å; D474-N478 PolarHBondContact O-ND2 3.24Å; D474-N478 PolarHBondContact O-OD1 3.15Å; F475-N478 PolarHBondContact O-N 2.9Å; N478-R499 PolarHBondContact O-NH2 3.09Å; N478-Y516 HydrophobicContact CB-CE1 4.5Å
479	F	95.7	Very high	92.9	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.018	17%	0.17	C	C	.	.	S	Bend	trans	-116.5	24.1	-174.2	-57.4	-75.1	0	0	0	114.1	F475 C490 S491 F492 H500 Y516 Q517	F475-F479 HydrophobicContact CB-CD2 4.37Å; F475-F479 HydrophobicContact CD2-CB 4.28Å; F475-F479 AromaticContact CD2-CD2 3.32Å; F475-F479 HydrophobicContact CD2-CD2 3.32Å; F475-F479 AromaticContact CD2-CE2 3.92Å; F475-F479 HydrophobicContact CD2-CE2 3.92Å; F475-F479 HydrophobicContact CD2-CG 4.11Å; F475-F479 HydrophobicContact CE2-CB 4.12Å; F475-F479 AromaticContact CE2-CD2 3.8Å; F475-F479 HydrophobicContact CE2-CD2 3.8Å; F475-F479 HydrophobicContact CE2-CG 4.16Å; F475-F479 HydrophobicContact CG-CD2 4.04Å; F475-F479 HydrophobicContact CZ-CB 4.47Å; F475-F479 WeakPolarHBondContact O-CB 3.15Å; F475-F479 WeakPolarHBondContact O-CD2 3.29Å; F475-F479 PolarHBondContact O-N 3.33Å; F479-C490 CarbonylContact O-C 3.59Å; F479-C490 WeakPolarHBondContact O-CA 3.34Å; F479-S491 WeakPolarHBondContact O-CB 3.3Å; F479-S491 PolarHBondContact O-N 3.09Å; F479-F492 HydrophobicContact CB-CD2 4.46Å; F479-F492 HydrophobicContact CB-CE2 4.09Å; F479-F492 HydrophobicContact CD1-CD2 4.14Å; F479-F492 AromaticContact CD1-CE2 3.3Å; F479-F492 HydrophobicContact CD1-CE2 3.3Å; F479-F492 AromaticContact CD1-CZ 3.54Å; F479-F492 HydrophobicContact CD1-CZ 3.54Å; F479-F492 HydrophobicContact CD2-CE2 4.26Å; F479-F492 HydrophobicContact CE1-CE1 4.33Å; F479-F492 AromaticContact CE1-CE2 3.67Å; F479-F492 HydrophobicContact CE1-CE2 3.67Å; F479-F492 AromaticContact CE1-CZ 3.39Å; F479-F492 HydrophobicContact CE1-CZ 3.39Å; F479-F492 HydrophobicContact CG-CD2 4.44Å; F479-F492 AromaticContact CG-CE2 3.63Å; F479-F492 HydrophobicContact CG-CE2 3.63Å; F479-F492 HydrophobicContact CG-CZ 4.24Å; F479-F492 HydrophobicContact CZ-CE2 4.28Å; F479-F492 AromaticContact CZ-CZ 3.98Å; F479-F492 HydrophobicContact CZ-CZ 3.98Å; F479-H500 AromaticContact CD1-CE1 3.64Å; F479-H500 AromaticContact CE1-CE1 3.75Å; F479-Y516 HydrophobicContact CE2-CD1 4.19Å; F479-Y516 AromaticContact CE2-CE1 3.41Å; F479-Y516 HydrophobicContact CE2-CE1 3.41Å; F479-Y516 VanDerWaalsContact CE2-CE1 3.41Å; F479-Y516 AromaticContact CE2-CZ 3.76Å; F479-Y516 AromaticContact CZ-CD1 3.85Å; F479-Y516 HydrophobicContact CZ-CD1 3.85Å; F479-Y516 AromaticContact CZ-CE1 3.54Å; F479-Y516 HydrophobicContact CZ-CE1 3.54Å; F479-Y516 WeakPolarHBondContact CZ-O 3.46Å; F479-Q517 HydrophobicContact CE1-CB 4.47Å; F479-Q517 HydrophobicContact CE1-CG 4.4Å
480	T	95.6	Very high	92.9	Very high	20 Å²	20	30.6 Å²	30.6	12%	0.123	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	131.6	164.8	-69.4	0	0	0	0	110	Y189 L240 F476 D488 I489	Y189-T480 WeakPolarHBondContact OH-CG2 3.42Å; Y189-T480 PolarHBondContact OH-OG1 3.04Å; L240-T480 HydrophobicContact CB-CG2 4.47Å; L240-T480 HydrophobicContact CD2-CG2 4.05Å; F476-T480 VanDerWaalsContact O-CB 3.26Å; F476-T480 WeakPolarHBondContact O-CB 3.32Å; F476-T480 PolarHBondContact O-OG1 2.93Å; T480-D488 HydrophobicContact CG2-CB 3.71Å; T480-I489 WeakPolarHBondContact CA-O 3.34Å
481	V	94.1	Very high	92.9	Very high	28 Å²	28	28.1 Å²	28.1	17%	0.17	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	139	172.4	-175.4	0	0	0	0	109.3	I489 S491 Q494	V481-I489 PolarHBondContact N-O 3.12Å; V481-I489 WeakPolarHBondContact O-CG1 3.39Å; V481-I489 PolarHBondContact O-N 3.02Å; V481-S491 VanDerWaalsContact CG2-OG 3.29Å; V481-S491 WeakPolarHBondContact CG2-OG 3.23Å; V481-Q494 VanDerWaalsContact CG1-NE2 3.28Å
482	E	93.3	Very high	92.9	Very high	125 Å²	125	24.1 Å²	24.1	58%	0.584	14%	0.135	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	115.5	178.1	-171.2	165.5	170.3	0	0	109.7	K245	K245-E482 IonicContact NZ-OE2 3.74Å; K245-E482 PolarHBondContact NZ-OE2 2.89Å
483	V	89.7	Confident	92.9	Very high	30 Å²	30	24.1 Å²	24.1	18%	0.182	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	126	179.4	173.1	0	0	0	0	110.2	G485 V486 G487 I489 Q494	V483-G485 PolarHBondContact O-N 3.21Å; V483-V486 HydrophobicContact CB-CB 4.16Å; V483-V486 HydrophobicContact CG1-CB 4.07Å; V483-V486 HydrophobicContact CG1-CG2 4.1Å; V483-V486 PolarHBondContact O-N 2.79Å; V483-G487 PolarHBondContact N-O 2.9Å; V483-G487 PolarHBondContact O-N 3.08Å; V483-I489 HydrophobicContact CB-CD1 4.37Å; V483-I489 HydrophobicContact CG2-CD1 3.49Å; V483-I489 VanDerWaalsContact CG2-CD1 3.49Å; V483-I489 HydrophobicContact CG2-CG1 3.87Å; V483-Q494 VanDerWaalsContact CG2-NE2 3.3Å
484	V	84.9	Confident	92.7	Very high	116 Å²	116	26.1 Å²	26.1	70%	0.703	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	123.7	-177.4	-177.8	0	0	0	0	110.8	V486	V484-V486 VanDerWaalsContact C-N 3.26Å; V484-V486 PolarHBondContact O-N 3.02Å
485	G	79.4	Confident	92.6	Very high	22 Å²	22	25.1 Å²	25.1	23%	0.227	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	-0.4	-178.1	0	0	0	0	0	115.4	R182 V483	R182-G485 PolarHBondContact NH2-O 3.22Å; V483-G485 PolarHBondContact O-N 3.21Å
486	V	85.3	Confident	92.4	Very high	10 Å²	10	26.8 Å²	26.8	6%	0.061	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-36.5	173.3	176.2	0	0	0	0	111.8	D178 H181 R182 R185 V483 V484 I489	D178-V486 HydrophobicContact CB-CG2 4Å; H181-V486 HydrophobicContact CB-CG1 3.86Å; R182-V486 HydrophobicContact CG-CG1 4.24Å; R185-V486 PolarHBondContact NH2-O 2.97Å; V483-V486 HydrophobicContact CB-CB 4.16Å; V483-V486 HydrophobicContact CG1-CB 4.07Å; V483-V486 HydrophobicContact CG1-CG2 4.1Å; V483-V486 PolarHBondContact O-N 2.79Å; V484-V486 VanDerWaalsContact C-N 3.26Å; V484-V486 PolarHBondContact O-N 3.02Å; V486-I489 HydrophobicContact CG1-CG2 3.76Å
487	G	89.4	Confident	92.1	Very high	9 Å²	9	27.1 Å²	27.1	9%	0.093	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	94.1	-156.9	-172.1	0	0	0	0	0	112.1	V483	V483-G487 PolarHBondContact N-O 2.9Å; V483-G487 PolarHBondContact O-N 3.08Å
488	D	94.3	Very high	91.8	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	129.7	-176.6	-71.6	-45.1	0	0	0	112.6	R185 F234 W238 N239 L240 K245 T480	R185-D488 VanDerWaalsContact CD-O 3.31Å; R185-D488 WeakPolarHBondContact CD-O 3.37Å; R185-D488 PolarHBondContact NE-O 3.33Å; F234-D488 HydrophobicContact CE1-CB 4.32Å; W238-D488 PolarHBondContact O-N 2.92Å; N239-D488 WeakPolarHBondContact CA-OD2 3.47Å; L240-D488 HydrophobicContact CB-CB 4.22Å; L240-D488 WeakPolarHBondContact CB-OD2 3.41Å; L240-D488 PolarHBondContact N-OD2 3.09Å; K245-D488 WeakPolarHBondContact CE-OD1 3.44Å; K245-D488 WeakPolarHBondContact CE-OD2 3.43Å; K245-D488 VanDerWaalsContact NZ-CG 3.29Å; K245-D488 IonicContact NZ-OD1 2.6Å; K245-D488 PolarHBondContact NZ-OD1 3.25Å; K245-D488 IonicContact NZ-OD2 3.1Å; K245-D488 PolarHBondContact NZ-OD2 3.45Å; K245-D488 VanDerWaalsContact NZ-OD2 3.11Å; T480-D488 HydrophobicContact CG2-CB 3.71Å
489	I	95	Very high	91.4	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	161	179.5	65.4	165	0	0	0	111.7	H181 Y189 T480 V481 V483 V486 S491 Q494	H181-I489 HydrophobicContact CB-CG2 4.21Å; H181-I489 WeakPolarHBondContact CE1-CD1 3.28Å; H181-I489 WeakPolarHBondContact ND1-CD1 3.43Å; Y189-I489 PolarHBondContact OH-O 3.33Å; Y189-I489 VanDerWaalsContact OH-O 3.13Å; T480-I489 WeakPolarHBondContact CA-O 3.34Å; V481-I489 PolarHBondContact N-O 3.12Å; V481-I489 WeakPolarHBondContact O-CG1 3.39Å; V481-I489 PolarHBondContact O-N 3.02Å; V483-I489 HydrophobicContact CB-CD1 4.37Å; V483-I489 HydrophobicContact CG2-CD1 3.49Å; V483-I489 VanDerWaalsContact CG2-CD1 3.49Å; V483-I489 HydrophobicContact CG2-CG1 3.87Å; V486-I489 HydrophobicContact CG1-CG2 3.76Å; I489-S491 PolarHBondContact O-N 3.36Å; I489-Q494 HydrophobicContact CD1-CG 3.87Å
490	C	96.2	Very high	91.2	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.007	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	129.1	172.3	-175.5	0	0	0	0	110.1	N188 Y189 F479 F492 A493	N188-C490 HydrophobicContact CB-CB 4.16Å; Y189-C490 HydrophobicContact CD1-CB 3.66Å; Y189-C490 HydrophobicContact CD2-CB 4.26Å; Y189-C490 HydrophobicContact CE1-CB 3.72Å; Y189-C490 HydrophobicContact CE2-CB 4.28Å; Y189-C490 HydrophobicContact CG-CB 3.96Å; Y189-C490 PolarHBondContact OH-N 2.87Å; F479-C490 CarbonylContact O-C 3.59Å; F479-C490 WeakPolarHBondContact O-CA 3.34Å; C490-F492 VanDerWaalsContact C-N 3.34Å; C490-F492 PolarHBondContact O-N 3.06Å; C490-A493 HydrophobicContact CB-CB 4.31Å; C490-A493 WeakPolarHBondContact O-CB 3.3Å; C490-A493 PolarHBondContact O-N 3.45Å
491	S	95.4	Very high	90.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-59.1	-42.4	-176.1	-160.7	0	0	0	0	112.2	F479 V481 I489 A493 Q494 R499 H500	F479-S491 WeakPolarHBondContact O-CB 3.3Å; F479-S491 PolarHBondContact O-N 3.09Å; V481-S491 VanDerWaalsContact CG2-OG 3.29Å; V481-S491 WeakPolarHBondContact CG2-OG 3.23Å; I489-S491 PolarHBondContact O-N 3.36Å; S491-A493 PolarHBondContact O-N 2.88Å; S491-A493 VanDerWaalsContact O-N 3.11Å; S491-Q494 WeakPolarHBondContact O-CB 3.46Å; S491-Q494 PolarHBondContact O-N 3.44Å; S491-R499 PolarHBondContact OG-NH1 3.38Å; S491-H500 WeakPolarHBondContact CB-NE2 3.39Å; S491-H500 PolarHBondContact OG-NE2 3.15Å
492	F	95.4	Very high	90.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-57.2	-26.7	173.7	-61	-79.4	0	0	0	113.7	A192 F314 F475 F479 C490 Q494 M495 H500 Q517 A519	A192-F492 HydrophobicContact CB-CD2 3.7Å; A192-F492 HydrophobicContact CB-CE2 4.24Å; A192-F492 HydrophobicContact CB-CG 4.4Å; F314-F492 HydrophobicContact CD1-CB 4.23Å; F314-F492 HydrophobicContact CD2-CB 4.2Å; F314-F492 HydrophobicContact CE1-CB 3.75Å; F314-F492 HydrophobicContact CE2-CB 3.71Å; F314-F492 HydrophobicContact CE2-CG 4.4Å; F314-F492 HydrophobicContact CG-CB 4.44Å; F314-F492 HydrophobicContact CZ-CB 3.47Å; F314-F492 VanDerWaalsContact CZ-CB 3.47Å; F314-F492 HydrophobicContact CZ-CG 4.04Å; F475-F492 HydrophobicContact CE2-CE2 4.12Å; F479-F492 HydrophobicContact CB-CD2 4.46Å; F479-F492 HydrophobicContact CB-CE2 4.09Å; F479-F492 HydrophobicContact CD1-CD2 4.14Å; F479-F492 AromaticContact CD1-CE2 3.3Å; F479-F492 HydrophobicContact CD1-CE2 3.3Å; F479-F492 AromaticContact CD1-CZ 3.54Å; F479-F492 HydrophobicContact CD1-CZ 3.54Å; F479-F492 HydrophobicContact CD2-CE2 4.26Å; F479-F492 HydrophobicContact CE1-CE1 4.33Å; F479-F492 AromaticContact CE1-CE2 3.67Å; F479-F492 HydrophobicContact CE1-CE2 3.67Å; F479-F492 AromaticContact CE1-CZ 3.39Å; F479-F492 HydrophobicContact CE1-CZ 3.39Å; F479-F492 HydrophobicContact CG-CD2 4.44Å; F479-F492 AromaticContact CG-CE2 3.63Å; F479-F492 HydrophobicContact CG-CE2 3.63Å; F479-F492 HydrophobicContact CG-CZ 4.24Å; F479-F492 HydrophobicContact CZ-CE2 4.28Å; F479-F492 AromaticContact CZ-CZ 3.98Å; F479-F492 HydrophobicContact CZ-CZ 3.98Å; C490-F492 VanDerWaalsContact C-N 3.34Å; C490-F492 PolarHBondContact O-N 3.06Å; F492-Q494 PolarHBondContact O-N 2.84Å; F492-M495 PolarHBondContact O-N 3.05Å; F492-M495 VanDerWaalsContact O-N 3.11Å; F492-H500 HydrophobicContact CD1-CB 3.79Å; F492-H500 AromaticContact CD1-CG 3.65Å; F492-H500 AromaticContact CD1-ND1 3.72Å; F492-H500 HydrophobicContact CE1-CB 4.06Å; F492-H500 AromaticContact CE1-CG 3.83Å; F492-H500 AromaticContact CE1-ND1 3.43Å; F492-H500 WeakPolarHBondContact CE1-ND1 3.39Å; F492-H500 AromaticContact CZ-ND1 3.98Å; F492-Q517 WeakPolarHBondContact CE1-O 3.41Å; F492-A519 HydrophobicContact CD1-CB 4.12Å; F492-A519 HydrophobicContact CE1-CB 4.21Å
493	A	95.4	Very high	90.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-74.9	-5.2	177.3	0	0	0	0	0	114.1	H181 N188 N315 C490 S491	H181-A493 PolarHBondContact NE2-O 3.48Å; N188-A493 HydrophobicContact CB-CB 3.89Å; N188-A493 VanDerWaalsContact ND2-CB 3.28Å; N188-A493 WeakPolarHBondContact ND2-CB 3.29Å; N315-A493 PolarHBondContact ND2-O 2.86Å; C490-A493 HydrophobicContact CB-CB 4.31Å; C490-A493 WeakPolarHBondContact O-CB 3.3Å; C490-A493 PolarHBondContact O-N 3.45Å; S491-A493 PolarHBondContact O-N 2.88Å; S491-A493 VanDerWaalsContact O-N 3.11Å
494	Q	93.3	Very high	89.8	Confident	46 Å²	46	27.6 Å²	27.6	22%	0.215	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-76.4	-16.1	167.5	-63.3	-172.3	-23.4	0	0	112	V481 V483 I489 S491 F492 D496	V481-Q494 VanDerWaalsContact CG1-NE2 3.28Å; V483-Q494 VanDerWaalsContact CG2-NE2 3.3Å; I489-Q494 HydrophobicContact CD1-CG 3.87Å; S491-Q494 WeakPolarHBondContact O-CB 3.46Å; S491-Q494 PolarHBondContact O-N 3.44Å; F492-Q494 PolarHBondContact O-N 2.84Å; Q494-D496 HydrophobicContact CB-CB 4.36Å; Q494-D496 PolarHBondContact O-N 2.96Å
495	M	93.4	Very high	89.7	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.119	C	C	.	.			trans	57.1	34.3	-176.8	-53.5	169.5	-57.8	0	0	111.8	L177 F314 N315 F492 I497 L528 F531 W538	L177-M495 HydrophobicContact CD1-CE 3.82Å; F314-M495 HydrophobicContact CB-CG 4.46Å; N315-M495 PolarHBondContact ND2-SD 2.72Å; F492-M495 PolarHBondContact O-N 3.05Å; F492-M495 VanDerWaalsContact O-N 3.11Å; M495-I497 PolarHBondContact O-N 3.49Å; M495-L528 HydrophobicContact CB-CB 4.16Å; M495-L528 HydrophobicContact CB-CD1 4.07Å; M495-F531 HydrophobicContact CE-CB 3.9Å; M495-F531 HydrophobicContact CE-CD1 3.73Å; M495-F531 HydrophobicContact CE-CD2 4.39Å; M495-F531 HydrophobicContact CE-CE1 4.41Å; M495-F531 HydrophobicContact CE-CG 3.73Å; M495-F531 HydrophobicContact SD-CB 3.75Å; M495-F531 HydrophobicContact SD-CG 4.11Å; M495-W538 HydrophobicContact CE-CH2 3.96Å; M495-W538 HydrophobicContact CE-CZ2 4.4Å
496	D	90.4	Very high	89.6	Confident	36 Å²	36	22.8 Å²	22.8	19%	0.193	11%	0.113	C	C	.	.			trans	-77.9	108.7	177.8	174.9	-9	0	0	0	109.6	Q494 R498 R499 H500	Q494-D496 HydrophobicContact CB-CB 4.36Å; Q494-D496 PolarHBondContact O-N 2.96Å; D496-R498 PolarHBondContact OD1-N 2.67Å; D496-R499 HydrophobicContact CB-CB 4.4Å; D496-R499 PolarHBondContact OD1-N 3.08Å; D496-R499 VanDerWaalsContact OD2-CB 3.23Å; D496-R499 WeakPolarHBondContact OD2-CB 3.35Å; D496-H500 WeakPolarHBondContact O-CA 3.41Å; D496-H500 WeakPolarHBondContact O-CB 3.5Å; D496-H500 PolarHBondContact O-N 3.01Å
497	I	89	Confident	88.8	Confident	6 Å²	6	24.9 Å²	24.9	3%	0.031	13%	0.128	C	C	.	.	H	α-helix	trans	-72.6	-35.4	-177.2	-71.1	178.7	0	0	0	111.9	M495 R499 G501 M506 T511 T524 L528 F547	M495-I497 PolarHBondContact O-N 3.49Å; I497-R499 VanDerWaalsContact C-N 3.31Å; I497-R499 PolarHBondContact O-N 3.13Å; I497-G501 WeakPolarHBondContact O-CA 3.44Å; I497-G501 PolarHBondContact O-N 3.38Å; I497-M506 HydrophobicContact CG2-CE 4.04Å; I497-M506 HydrophobicContact CG2-SD 3.21Å; I497-M506 WeakPolarHBondContact CG2-SD 3.29Å; I497-T511 PolarHBondContact O-OG1 3.3Å; I497-T524 HydrophobicContact CG1-CG2 4.07Å; I497-L528 HydrophobicContact CD1-CD2 3.42Å; I497-L528 VanDerWaalsContact CD1-CD2 3.42Å; I497-L528 HydrophobicContact CG1-CD2 4.2Å; I497-F547 HydrophobicContact CD1-CB 3.63Å; I497-F547 HydrophobicContact CD1-CD1 3.28Å; I497-F547 HydrophobicContact CD1-CD2 3.97Å; I497-F547 HydrophobicContact CD1-CE1 3.87Å; I497-F547 HydrophobicContact CD1-CE2 4.47Å; I497-F547 HydrophobicContact CD1-CG 3.33Å; I497-F547 HydrophobicContact CD1-CZ 4.43Å
498	R	88.2	Confident	87.5	Confident	101 Å²	101	32.2 Å²	32.2	38%	0.381	17%	0.165	S	C	.	.	H	α-helix	trans	-66.1	-38.6	-179.4	179.3	179.1	173.7	166.7	7.7	111.1	D496 T511 E512 A513 E543	D496-R498 PolarHBondContact OD1-N 2.67Å; R498-T511 PolarHBondContact O-OG1 3.46Å; R498-E512 HydrophobicContact CG-CB 4.47Å; R498-E512 HydrophobicContact CG-CG 4.25Å; R498-E512 IonicContact CZ-OE1 3.95Å; R498-E512 IonicContact CZ-OE2 2.92Å; R498-E512 IonicContact NE-OE1 2.94Å; R498-E512 PolarHBondContact NE-OE1 3.22Å; R498-E512 IonicContact NE-OE2 3.95Å; R498-E512 PolarHBondContact NE-OE2 3.18Å; R498-E512 IonicContact NH2-OE1 3.31Å; R498-E512 PolarHBondContact NH2-OE1 3.05Å; R498-E512 IonicContact NH2-OE2 2.81Å; R498-E512 PolarHBondContact NH2-OE2 2.83Å; R498-E512 PolarHBondContact O-N 3.05Å; R498-A513 PolarHBondContact O-N 2.92Å; R498-E543 WeakPolarHBondContact CB-OE2 3.4Å; R498-E543 VanDerWaalsContact CD-CD 3.44Å; R498-E543 WeakPolarHBondContact CD-OE1 3.28Å; R498-E543 WeakPolarHBondContact CD-OE2 3.34Å; R498-E543 IonicContact CZ-OE1 2.79Å; R498-E543 IonicContact NE-OE1 2.74Å; R498-E543 IonicContact NH1-OE1 3.43Å; R498-E543 PolarHBondContact NH1-OE1 2.79Å
499	R	86.7	Confident	86	Confident	88 Å²	88	36.1 Å²	36.1	33%	0.332	21%	0.205	S	C	.	.	H	α-helix	trans	-92.3	-29.6	-177.5	-169	177.6	174.3	-172.6	-5.8	114.9	N478 S491 D496 I497 A513	N478-R499 PolarHBondContact O-NH2 3.09Å; S491-R499 PolarHBondContact OG-NH1 3.38Å; D496-R499 HydrophobicContact CB-CB 4.4Å; D496-R499 PolarHBondContact OD1-N 3.08Å; D496-R499 VanDerWaalsContact OD2-CB 3.23Å; D496-R499 WeakPolarHBondContact OD2-CB 3.35Å; I497-R499 VanDerWaalsContact C-N 3.31Å; I497-R499 PolarHBondContact O-N 3.13Å; R499-A513 WeakPolarHBondContact O-CB 3.34Å
500	H	90.4	Very high	84.7	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-133	5.3	-172.3	-63.6	-55.1	0	0	0	114.7	F479 S491 F492 D496 Q517 A519 T524	F479-H500 AromaticContact CD1-CE1 3.64Å; F479-H500 AromaticContact CE1-CE1 3.75Å; S491-H500 WeakPolarHBondContact CB-NE2 3.39Å; S491-H500 PolarHBondContact OG-NE2 3.15Å; F492-H500 HydrophobicContact CD1-CB 3.79Å; F492-H500 AromaticContact CD1-CG 3.65Å; F492-H500 AromaticContact CD1-ND1 3.72Å; F492-H500 HydrophobicContact CE1-CB 4.06Å; F492-H500 AromaticContact CE1-CG 3.83Å; F492-H500 AromaticContact CE1-ND1 3.43Å; F492-H500 WeakPolarHBondContact CE1-ND1 3.39Å; F492-H500 AromaticContact CZ-ND1 3.98Å; D496-H500 WeakPolarHBondContact O-CA 3.41Å; D496-H500 WeakPolarHBondContact O-CB 3.5Å; D496-H500 PolarHBondContact O-N 3.01Å; H500-Q517 PolarHBondContact ND1-O 2.93Å; H500-A519 PolarHBondContact O-N 3.21Å; H500-T524 HydrophobicContact CB-CG2 4.41Å; H500-T524 PolarHBondContact O-OG1 2.88Å
501	G	88.1	Confident	83.8	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.229	C	C	.	.			trans	-68.5	157.7	173.6	0	0	0	0	0	112.1	I497 A513 Q518 E525	I497-G501 WeakPolarHBondContact O-CA 3.44Å; I497-G501 PolarHBondContact O-N 3.38Å; G501-A513 WeakPolarHBondContact O-CB 3.17Å; G501-Q518 WeakPolarHBondContact O-CB 3.37Å; G501-E525 WeakPolarHBondContact CA-OE1 3.49Å
502	N	87.2	Confident	83	Confident	10 Å²	10	47.1 Å²	47.1	5%	0.053	26%	0.259	C	S	.	.			trans	-98.5	119.3	177.6	-165.7	-50.2	0	0	0	109.8	T504 W505 M506 A519 E525	N502-T504 PolarHBondContact O-N 3.32Å; N502-T504 VanDerWaalsContact O-N 3.11Å; N502-T504 PolarHBondContact OD1-N 2.98Å; N502-T504 PolarHBondContact OD1-OG1 2.84Å; N502-W505 HydrophobicContact CB-CB 4.35Å; N502-W505 HydrophobicContact CB-CG 4.38Å; N502-W505 PolarHBondContact O-N 3.37Å; N502-M506 WeakPolarHBondContact O-CE 3.29Å; N502-A519 PolarHBondContact ND2-O 2.93Å; N502-E525 PolarHBondContact N-OE1 3.02Å
503	P	85	Confident	82.2	Confident	59 Å²	59	47.9 Å²	47.9	38%	0.383	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-60.2	-27.3	-173.8	24.1	-34.1	0	0	0	113.3	W505 M506 T511	P503-W505 VanDerWaalsContact C-N 3.26Å; P503-W505 PolarHBondContact O-N 3.49Å; P503-M506 PolarHBondContact O-N 3.28Å; P503-T511 HydrophobicContact CB-CG2 3.93Å
504	T	83.2	Confident	81.6	Confident	71 Å²	71	50.5 Å²	50.5	44%	0.436	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-76	-15.2	179.8	69.2	0	0	0	0	113.4	N502 H699	N502-T504 PolarHBondContact O-N 3.32Å; N502-T504 VanDerWaalsContact O-N 3.11Å; N502-T504 PolarHBondContact OD1-N 2.98Å; N502-T504 PolarHBondContact OD1-OG1 2.84Å; T504-H699 PolarHBondContact O-ND1 3.13Å; T504-H699 PolarHBondContact OG1-CE1 2.95Å; T504-H699 VanDerWaalsContact OG1-CE1 3.24Å
505	W	83	Confident	81.2	Confident	20 Å²	20	53.6 Å²	53.6	8%	0.076	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-96	2.1	179	-75	69.2	0	0	0	113.2	N502 P503 L526 M695 H696 H699	N502-W505 HydrophobicContact CB-CB 4.35Å; N502-W505 HydrophobicContact CB-CG 4.38Å; N502-W505 PolarHBondContact O-N 3.37Å; P503-W505 VanDerWaalsContact C-N 3.26Å; P503-W505 PolarHBondContact O-N 3.49Å; W505-L526 HydrophobicContact CH2-CD1 4.38Å; W505-L526 HydrophobicContact CZ3-CD1 4.11Å; W505-L526 HydrophobicContact CZ3-CG 4.47Å; W505-M695 HydrophobicContact CE3-CE 4.39Å; W505-M695 HydrophobicContact CZ3-CB 4.16Å; W505-H696 AromaticContact CH2-CD2 3.72Å; W505-H696 AromaticContact CH2-CE1 3.61Å; W505-H696 AromaticContact CH2-CG 3.86Å; W505-H696 AromaticContact CH2-ND1 3.81Å; W505-H696 AromaticContact CH2-NE2 3.57Å; W505-H699 AromaticContact CD1-ND1 3.93Å; W505-H699 HydrophobicContact CD2-CB 4.36Å; W505-H699 AromaticContact CE2-CD2 3.79Å; W505-H699 AromaticContact CE2-CG 3.86Å; W505-H699 AromaticContact CZ2-CD2 3.79Å; W505-H699 AromaticContact NE1-CD2 3.79Å; W505-H699 AromaticContact NE1-CE1 3.76Å; W505-H699 AromaticContact NE1-CG 3.9Å; W505-H699 AromaticContact NE1-ND1 3.86Å; W505-H699 AromaticContact NE1-NE2 3.72Å
506	M	77.9	Confident	80.9	Confident	18 Å²	18	58.7 Å²	58.7	9%	0.089	33%	0.325	C	S	.	.	S	Bend	trans	-130.5	170	-175.8	-72.9	-178.4	-82.4	0	0	111.6	I497 N502 P503 Q510 T511 F547	I497-M506 HydrophobicContact CG2-CE 4.04Å; I497-M506 HydrophobicContact CG2-SD 3.21Å; I497-M506 WeakPolarHBondContact CG2-SD 3.29Å; N502-M506 WeakPolarHBondContact O-CE 3.29Å; P503-M506 PolarHBondContact O-N 3.28Å; M506-Q510 HydrophobicContact SD-CB 4.06Å; M506-T511 HydrophobicContact CE-CG2 3.75Å; M506-F547 HydrophobicContact CG-CD2 4.41Å; M506-F547 HydrophobicContact CG-CE2 4.01Å
507	S	68.3	Low	80.7	Confident	53 Å²	53	60.4 Å²	60.4	37%	0.371	33%	0.332	S	S	.	.			trans	-78.9	147.3	163.6	42.8	0	0	0	0	111	Q510 H550	S507-Q510 VanDerWaalsContact OG-CD 3.26Å; S507-Q510 PolarHBondContact OG-NE2 3.15Å; S507-Q510 VanDerWaalsContact OG-NE2 3.11Å; S507-Q510 PolarHBondContact OG-OE1 3.49Å; S507-H550 PolarHBondContact OG-CE1 3.07Å
508	D	61.4	Low	80.8	Confident	164 Å²	164	61.1 Å²	61.1	88%	0.877	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	138.9	-175.1	-65.4	-47.2	0	0	0	113.6
509	G	62.6	Low	80.8	Confident	83 Å²	83	56.3 Å²	56.3	86%	0.856	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	0.8	175.5	0	0	0	0	0	116.5
510	Q	68.3	Low	80.9	Confident	70 Å²	70	54.4 Å²	54.4	33%	0.327	31%	0.312	S	S	.	.	S	Bend	trans	-87	-3.1	-179.7	-68.5	-175.1	-11.4	0	0	115.4	M506 S507	M506-Q510 HydrophobicContact SD-CB 4.06Å; S507-Q510 VanDerWaalsContact OG-CD 3.26Å; S507-Q510 PolarHBondContact OG-NE2 3.15Å; S507-Q510 VanDerWaalsContact OG-NE2 3.11Å; S507-Q510 PolarHBondContact OG-OE1 3.49Å
511	T	76.6	Confident	80.7	Confident	31 Å²	31	56.3 Å²	56.3	19%	0.19	32%	0.322	C	S	.	.			trans	-139.5	144.2	-180	-163.7	0	0	0	0	112.9	I497 R498 P503 M506 A513	I497-T511 PolarHBondContact O-OG1 3.3Å; R498-T511 PolarHBondContact O-OG1 3.46Å; P503-T511 HydrophobicContact CB-CG2 3.93Å; M506-T511 HydrophobicContact CE-CG2 3.75Å; T511-A513 WeakPolarHBondContact OG1-CB 3.49Å; T511-A513 PolarHBondContact OG1-N 3.42Å
512	E	78.6	Confident	80.7	Confident	133 Å²	133	56.3 Å²	56.3	62%	0.621	32%	0.322	S	S	*	.			trans	-103.7	5	174.1	-65.5	173.3	165.9	0	0	111	R498 S514	R498-E512 HydrophobicContact CG-CB 4.47Å; R498-E512 HydrophobicContact CG-CG 4.25Å; R498-E512 IonicContact CZ-OE1 3.95Å; R498-E512 IonicContact CZ-OE2 2.92Å; R498-E512 IonicContact NE-OE1 2.94Å; R498-E512 PolarHBondContact NE-OE1 3.22Å; R498-E512 IonicContact NE-OE2 3.95Å; R498-E512 PolarHBondContact NE-OE2 3.18Å; R498-E512 IonicContact NH2-OE1 3.31Å; R498-E512 PolarHBondContact NH2-OE1 3.05Å; R498-E512 IonicContact NH2-OE2 2.81Å; R498-E512 PolarHBondContact NH2-OE2 2.83Å; R498-E512 PolarHBondContact O-N 3.05Å; E512-S514 PolarHBondContact O-N 3.39Å
513	A	78.7	Confident	81	Confident	15 Å²	15	55.9 Å²	55.9	12%	0.124	32%	0.32	C	S	.	.			trans	-67.8	123.2	-176.1	0	0	0	0	0	112.1	R498 R499 G501 T511 Q518	R498-A513 PolarHBondContact O-N 2.92Å; R499-A513 WeakPolarHBondContact O-CB 3.34Å; G501-A513 WeakPolarHBondContact O-CB 3.17Å; T511-A513 WeakPolarHBondContact OG1-CB 3.49Å; T511-A513 PolarHBondContact OG1-N 3.42Å; A513-Q518 HydrophobicContact CB-CB 4.15Å
514	S	84.6	Confident	81.5	Confident	55 Å²	55	53.1 Å²	53.1	39%	0.385	30%	0.301	S	S	.	.			trans	-70	161.1	163.9	62.8	0	0	0	0	111.4	E512 Y516 Q517 Q518	E512-S514 PolarHBondContact O-N 3.39Å; S514-Y516 PolarHBondContact O-N 3.47Å; S514-Y516 VanDerWaalsContact O-N 3.08Å; S514-Q517 CarbonylContact O-C 3.57Å; S514-Q517 WeakPolarHBondContact O-CA 3.5Å; S514-Q517 PolarHBondContact O-N 3.37Å; S514-Q517 VanDerWaalsContact OG-CD 3.26Å; S514-Q517 WeakPolarHBondContact OG-CG 3.39Å; S514-Q517 PolarHBondContact OG-OE1 3.4Å; S514-Q518 PolarHBondContact O-N 3.15Å
515	V	84.1	Confident	81.9	Confident	111 Å²	111	49.7 Å²	49.7	67%	0.673	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-34.2	176.3	-178	0	0	0	0	112.5	K196	K196-V515 PolarHBondContact NZ-O 3.23Å; K196-V515 VanDerWaalsContact NZ-O 3.16Å
516	Y	85.9	Confident	82.5	Confident	107 Å²	107	48.8 Å²	48.8	42%	0.42	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-34.7	174.3	-177.9	-98.8	0	0	0	112.6	K196 N478 F479 S514	K196-Y516 VanDerWaalsContact CE-O 3.3Å; K196-Y516 WeakPolarHBondContact CE-O 3.42Å; K196-Y516 PolarHBondContact NZ-O 3.36Å; N478-Y516 HydrophobicContact CB-CE1 4.5Å; F479-Y516 HydrophobicContact CE2-CD1 4.19Å; F479-Y516 AromaticContact CE2-CE1 3.41Å; F479-Y516 HydrophobicContact CE2-CE1 3.41Å; F479-Y516 VanDerWaalsContact CE2-CE1 3.41Å; F479-Y516 AromaticContact CE2-CZ 3.76Å; F479-Y516 AromaticContact CZ-CD1 3.85Å; F479-Y516 HydrophobicContact CZ-CD1 3.85Å; F479-Y516 AromaticContact CZ-CE1 3.54Å; F479-Y516 HydrophobicContact CZ-CE1 3.54Å; F479-Y516 WeakPolarHBondContact CZ-O 3.46Å; S514-Y516 PolarHBondContact O-N 3.47Å; S514-Y516 VanDerWaalsContact O-N 3.08Å
517	Q	88.1	Confident	83.3	Confident	72 Å²	72	47.9 Å²	47.9	34%	0.336	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-27.9	-172.8	-70	165	-39.9	0	0	115.4	F479 F492 H500 S514	F479-Q517 HydrophobicContact CE1-CB 4.47Å; F479-Q517 HydrophobicContact CE1-CG 4.4Å; F492-Q517 WeakPolarHBondContact CE1-O 3.41Å; H500-Q517 PolarHBondContact ND1-O 2.93Å; S514-Q517 CarbonylContact O-C 3.57Å; S514-Q517 WeakPolarHBondContact O-CA 3.5Å; S514-Q517 PolarHBondContact O-N 3.37Å; S514-Q517 VanDerWaalsContact OG-CD 3.26Å; S514-Q517 WeakPolarHBondContact OG-CG 3.39Å; S514-Q517 PolarHBondContact OG-OE1 3.4Å
518	Q	89.6	Confident	84.6	Confident	21 Å²	21	45.4 Å²	45.4	10%	0.098	26%	0.255	C	S	.	.	S	Bend	trans	-58.1	160.3	177.3	75.7	-171.5	22.4	0	0	111.9	K196 G501 A513 S514 E520	K196-Q518 WeakPolarHBondContact CE-O 3.22Å; K196-Q518 PolarHBondContact NZ-O 3.05Å; G501-Q518 WeakPolarHBondContact O-CB 3.37Å; A513-Q518 HydrophobicContact CB-CB 4.15Å; S514-Q518 PolarHBondContact O-N 3.15Å; Q518-E520 PolarHBondContact NE2-OE2 3.44Å; Q518-E520 VanDerWaalsContact NE2-OE2 3.08Å
519	A	89.6	Confident	86.1	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-90.4	144.2	164.4	0	0	0	0	0	110.9	F492 H500 N502 K523 T524	F492-A519 HydrophobicContact CD1-CB 4.12Å; F492-A519 HydrophobicContact CE1-CB 4.21Å; H500-A519 PolarHBondContact O-N 3.21Å; N502-A519 PolarHBondContact ND2-O 2.93Å; A519-K523 HydrophobicContact CB-CB 4.11Å; A519-T524 VanDerWaalsContact CB-OG1 3.22Å; A519-T524 WeakPolarHBondContact CB-OG1 3.44Å
520	E	88.9	Confident	87.6	Confident	48 Å²	48	34.7 Å²	34.7	22%	0.224	18%	0.178	C	C	.	.	S	Bend	trans	-81.5	145.4	179.6	-44.4	-50.7	157	0	0	111	N195 K196 Q518 K523	N195-E520 PolarHBondContact ND2-O 3.4Å; N195-E520 WeakPolarHBondContact O-CG 3.05Å; N195-E520 PolarHBondContact OD1-N 2.84Å; N195-E520 VanDerWaalsContact OD1-N 3.11Å; K196-E520 WeakPolarHBondContact CE-OE1 3.37Å; K196-E520 IonicContact NZ-OE1 3.29Å; K196-E520 PolarHBondContact NZ-OE1 3.38Å; Q518-E520 PolarHBondContact NE2-OE2 3.44Å; Q518-E520 VanDerWaalsContact NE2-OE2 3.08Å; E520-K523 VanDerWaalsContact O-CB 3.28Å; E520-K523 WeakPolarHBondContact O-CB 3.42Å
521	N	85	Confident	88.8	Confident	41 Å²	41	31.4 Å²	31.4	22%	0.219	16%	0.162	C	C	.	.	S	Bend	trans	59.6	51.4	174	-51	-13.6	0	0	0	114.2	Y310 K523	Y310-N521 PolarHBondContact OH-ND2 3.39Å; N521-K523 PolarHBondContact O-N 2.93Å; N521-K523 VanDerWaalsContact O-N 3.1Å
522	G	88.9	Confident	89.6	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	61.5	22.2	173.9	0	0	0	0	0	115	T524 E525 L526	G522-T524 PolarHBondContact O-N 3.45Å; G522-E525 VanDerWaalsContact CA-OE2 3.31Å; G522-E525 WeakPolarHBondContact CA-OE2 3.26Å; G522-E525 PolarHBondContact O-N 2.82Å; G522-L526 WeakPolarHBondContact O-CB 3.21Å; G522-L526 WeakPolarHBondContact O-CG 3.19Å; G522-L526 PolarHBondContact O-N 3.14Å
523	K	93.7	Very high	90.2	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.009	14%	0.136	C	C	.	.	H	α-helix	trans	-74.5	-26.4	-163.4	-168.2	161.9	-168.9	160.8	0	114.4	N195 Y310 R312 F314 Y418 A519 E520 N521 S527	N195-K523 HydrophobicContact CB-CD 4.19Å; Y310-K523 PolarHBondContact O-NZ 3.35Å; R312-K523 WeakPolarHBondContact O-CE 3.44Å; R312-K523 PolarHBondContact O-NZ 2.93Å; F314-K523 HydrophobicContact CD2-CG 4.2Å; F314-K523 HydrophobicContact CE2-CD 4.2Å; F314-K523 HydrophobicContact CE2-CG 3.8Å; Y418-K523 HydrophobicContact CE1-CB 4.02Å; Y418-K523 HydrophobicContact CE1-CD 4.48Å; Y418-K523 HydrophobicContact CE1-CG 3.92Å; A519-K523 HydrophobicContact CB-CB 4.11Å; E520-K523 VanDerWaalsContact O-CB 3.28Å; E520-K523 WeakPolarHBondContact O-CB 3.42Å; N521-K523 PolarHBondContact O-N 2.93Å; N521-K523 VanDerWaalsContact O-N 3.1Å; K523-S527 WeakPolarHBondContact O-CB 3.22Å; K523-S527 PolarHBondContact O-N 2.95Å; K523-S527 PolarHBondContact O-OG 3.22Å
524	T	94	Very high	90.7	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-72	-45.9	174.8	-62.6	0	0	0	0	110.2	I497 H500 A519 G522 S527 L528	I497-T524 HydrophobicContact CG1-CG2 4.07Å; H500-T524 HydrophobicContact CB-CG2 4.41Å; H500-T524 PolarHBondContact O-OG1 2.88Å; A519-T524 VanDerWaalsContact CB-OG1 3.22Å; A519-T524 WeakPolarHBondContact CB-OG1 3.44Å; G522-T524 PolarHBondContact O-N 3.45Å; T524-S527 PolarHBondContact O-N 3.13Å; T524-L528 WeakPolarHBondContact O-CB 3.31Å; T524-L528 PolarHBondContact O-N 3.43Å
525	E	93.1	Very high	91	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-68.6	-51.3	-174.6	-58.1	74.2	-168	0	0	111.2	G501 N502 G522 S527 L528 M529 F547 M695	G501-E525 WeakPolarHBondContact CA-OE1 3.49Å; N502-E525 PolarHBondContact N-OE1 3.02Å; G522-E525 VanDerWaalsContact CA-OE2 3.31Å; G522-E525 WeakPolarHBondContact CA-OE2 3.26Å; G522-E525 PolarHBondContact O-N 2.82Å; E525-S527 VanDerWaalsContact C-N 3.29Å; E525-S527 PolarHBondContact O-N 2.89Å; E525-L528 PolarHBondContact O-N 3.06Å; E525-M529 PolarHBondContact O-N 2.81Å; E525-F547 HydrophobicContact CB-CE1 4.34Å; E525-F547 HydrophobicContact CB-CZ 4.02Å; E525-F547 HydrophobicContact CG-CE2 4.44Å; E525-F547 HydrophobicContact CG-CZ 4.03Å; E525-M695 HydrophobicContact CB-CE 3.66Å
526	L	94.1	Very high	91.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.6	-34	176.5	-70.6	168.1	0	0	0	111.7	H313 H417 Y418 W505 G522 H530 M688 A692 M695	H313-L526 PolarHBondContact CD2-O 3.42Å; H417-L526 WeakPolarHBondContact O-CD1 3.49Å; Y418-L526 HydrophobicContact CD1-CD1 3.88Å; Y418-L526 HydrophobicContact CE1-CB 3.99Å; Y418-L526 HydrophobicContact CE1-CD1 3.58Å; Y418-L526 HydrophobicContact CE1-CG 4.43Å; W505-L526 HydrophobicContact CH2-CD1 4.38Å; W505-L526 HydrophobicContact CZ3-CD1 4.11Å; W505-L526 HydrophobicContact CZ3-CG 4.47Å; G522-L526 WeakPolarHBondContact O-CB 3.21Å; G522-L526 WeakPolarHBondContact O-CG 3.19Å; G522-L526 PolarHBondContact O-N 3.14Å; L526-H530 VanDerWaalsContact O-CB 3.3Å; L526-H530 WeakPolarHBondContact O-CB 3.39Å; L526-H530 PolarHBondContact O-N 3.47Å; L526-M688 HydrophobicContact CB-CE 4.29Å; L526-M688 HydrophobicContact CD2-CE 3.85Å; L526-M688 WeakPolarHBondContact O-CE 3.36Å; L526-A692 HydrophobicContact CD2-CB 4.33Å; L526-M695 HydrophobicContact CD2-CE 4.07Å; L526-M695 HydrophobicContact CD2-SD 3.89Å; L526-M695 HydrophobicContact CG-CE 4.28Å
527	S	95.7	Very high	91.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-68.2	-42.6	174.6	-60.9	0	0	0	0	112	H313 F314 Y418 K523 T524 E525 H530 F531	H313-S527 WeakPolarHBondContact CA-OG 3.39Å; H313-S527 WeakPolarHBondContact CB-OG 3.41Å; F314-S527 PolarHBondContact N-OG 3.46Å; Y418-S527 PolarHBondContact OH-OG 3.47Å; K523-S527 WeakPolarHBondContact O-CB 3.22Å; K523-S527 PolarHBondContact O-N 2.95Å; K523-S527 PolarHBondContact O-OG 3.22Å; T524-S527 PolarHBondContact O-N 3.13Å; E525-S527 VanDerWaalsContact C-N 3.29Å; E525-S527 PolarHBondContact O-N 2.89Å; S527-H530 PolarHBondContact O-N 3.44Å; S527-F531 WeakPolarHBondContact O-CB 3.46Å; S527-F531 PolarHBondContact O-N 3.44Å
528	L	94.9	Very high	91.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.2	-47.2	176.4	-180	68.6	0	0	0	111.3	M495 I497 T524 E525 F531 T532 W538 F547 I548	M495-L528 HydrophobicContact CB-CB 4.16Å; M495-L528 HydrophobicContact CB-CD1 4.07Å; I497-L528 HydrophobicContact CD1-CD2 3.42Å; I497-L528 VanDerWaalsContact CD1-CD2 3.42Å; I497-L528 HydrophobicContact CG1-CD2 4.2Å; T524-L528 WeakPolarHBondContact O-CB 3.31Å; T524-L528 PolarHBondContact O-N 3.43Å; E525-L528 PolarHBondContact O-N 3.06Å; L528-F531 PolarHBondContact O-N 3.46Å; L528-T532 WeakPolarHBondContact O-CB 3.42Å; L528-T532 PolarHBondContact O-N 3.19Å; L528-T532 PolarHBondContact O-OG1 3.07Å; L528-W538 HydrophobicContact CD1-CH2 3.75Å; L528-W538 HydrophobicContact CD1-CZ3 3.91Å; L528-F547 HydrophobicContact CD2-CD1 4.15Å; L528-I548 HydrophobicContact CD1-CD1 4.44Å; L528-I548 HydrophobicContact CD2-CD1 3.91Å; L528-I548 HydrophobicContact CD2-CG1 4.04Å; L528-I548 HydrophobicContact CG-CD1 4.06Å; L528-I548 HydrophobicContact CG-CG1 4.5Å
529	M	92.9	Very high	91.3	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-61.7	-49.9	179	-173.4	57.4	74.2	0	0	110.8	E525 F531 T532 L533 L551 M688 H691	E525-M529 PolarHBondContact O-N 2.81Å; M529-F531 VanDerWaalsContact C-N 3.33Å; M529-F531 PolarHBondContact O-N 3.49Å; M529-T532 PolarHBondContact O-N 3.35Å; M529-L533 HydrophobicContact CG-CD1 3.95Å; M529-L533 HydrophobicContact CG-CG 4.35Å; M529-L533 WeakPolarHBondContact O-CG 3.09Å; M529-L533 PolarHBondContact O-N 3.32Å; M529-L533 HydrophobicContact SD-CD1 4.05Å; M529-L533 HydrophobicContact SD-CD2 4.39Å; M529-L533 HydrophobicContact SD-CG 3.99Å; M529-L551 HydrophobicContact CE-CD2 3.49Å; M529-L551 VanDerWaalsContact CE-CD2 3.49Å; M529-L551 HydrophobicContact CE-CG 4.34Å; M529-M688 HydrophobicContact CB-CE 4.26Å; M529-M688 HydrophobicContact CB-SD 3.95Å; M529-M688 HydrophobicContact CG-CE 4.44Å; M529-M688 HydrophobicContact CG-SD 3.65Å; M529-H691 HydrophobicContact CG-CB 4.12Å
530	H	94.3	Very high	91.2	Very high	21 Å²	21	31.9 Å²	31.9	10%	0.097	16%	0.158	C	C	.	.	H	α-helix	trans	-55.5	-46.6	176.3	173.3	-91	0	0	0	112	L526 S527 K534 M688	L526-H530 VanDerWaalsContact O-CB 3.3Å; L526-H530 WeakPolarHBondContact O-CB 3.39Å; L526-H530 PolarHBondContact O-N 3.47Å; S527-H530 PolarHBondContact O-N 3.44Å; H530-K534 WeakPolarHBondContact O-CB 3.28Å; H530-K534 PolarHBondContact O-N 3.33Å; H530-M688 VanDerWaalsContact CA-SD 3.58Å; H530-M688 HydrophobicContact CB-CE 4.09Å; H530-M688 HydrophobicContact CB-CG 4.32Å; H530-M688 HydrophobicContact CB-SD 3.93Å; H530-M688 PolarHBondContact N-SD 2.92Å; H530-M688 VanDerWaalsContact N-SD 3.41Å
531	F	94.6	Very high	91.2	Very high	1 Å²	1	33 Å²	33	0%	0.004	17%	0.169	C	C	.	.	H	α-helix	trans	-66.3	-39.5	-178.5	-168.5	-92.4	0	0	0	112.4	L177 Y180 N315 M495 S527 L528 M529 K534 N535 W538	L177-F531 HydrophobicContact CB-CE1 4.2Å; L177-F531 HydrophobicContact CB-CZ 4.09Å; L177-F531 HydrophobicContact CD1-CE1 3.94Å; L177-F531 HydrophobicContact CD1-CE2 4.15Å; L177-F531 HydrophobicContact CD1-CZ 3.74Å; Y180-F531 AromaticContact CD1-CE2 3.8Å; Y180-F531 HydrophobicContact CD1-CE2 3.8Å; Y180-F531 AromaticContact CD2-CE2 3.7Å; Y180-F531 HydrophobicContact CD2-CE2 3.7Å; Y180-F531 AromaticContact CD2-CZ 3.95Å; Y180-F531 HydrophobicContact CD2-CZ 3.95Å; Y180-F531 HydrophobicContact CE1-CD2 4.48Å; Y180-F531 AromaticContact CE1-CE2 3.9Å; Y180-F531 HydrophobicContact CE1-CE2 3.9Å; Y180-F531 AromaticContact CE2-CE2 3.82Å; Y180-F531 HydrophobicContact CE2-CE2 3.82Å; Y180-F531 HydrophobicContact CE2-CZ 4.1Å; Y180-F531 AromaticContact CG-CE2 3.65Å; Y180-F531 HydrophobicContact CG-CE2 3.65Å; Y180-F531 HydrophobicContact CG-CZ 4.27Å; Y180-F531 AromaticContact CZ-CE2 3.9Å; N315-F531 HydrophobicContact CB-CD2 3.74Å; N315-F531 HydrophobicContact CB-CE2 3.93Å; M495-F531 HydrophobicContact CE-CB 3.9Å; M495-F531 HydrophobicContact CE-CD1 3.73Å; M495-F531 HydrophobicContact CE-CD2 4.39Å; M495-F531 HydrophobicContact CE-CE1 4.41Å; M495-F531 HydrophobicContact CE-CG 3.73Å; M495-F531 HydrophobicContact SD-CB 3.75Å; M495-F531 HydrophobicContact SD-CG 4.11Å; S527-F531 WeakPolarHBondContact O-CB 3.46Å; S527-F531 PolarHBondContact O-N 3.44Å; L528-F531 PolarHBondContact O-N 3.46Å; M529-F531 VanDerWaalsContact C-N 3.33Å; M529-F531 PolarHBondContact O-N 3.49Å; F531-K534 PolarHBondContact O-N 2.84Å; F531-N535 HydrophobicContact CE1-CB 4.35Å; F531-N535 WeakPolarHBondContact O-CB 3.4Å; F531-N535 PolarHBondContact O-N 2.93Å; F531-N535 PolarHBondContact O-ND2 3.37Å; F531-W538 AromaticContact CD1-CD2 3.88Å; F531-W538 HydrophobicContact CD1-CD2 3.88Å; F531-W538 AromaticContact CD1-CE3 3.55Å; F531-W538 HydrophobicContact CD1-CE3 3.55Å; F531-W538 HydrophobicContact CD1-CH2 4.24Å; F531-W538 AromaticContact CD1-CZ3 3.73Å; F531-W538 HydrophobicContact CD1-CZ3 3.73Å; F531-W538 HydrophobicContact CE1-CB 4.34Å; F531-W538 AromaticContact CE1-CD2 3.59Å; F531-W538 HydrophobicContact CE1-CD2 3.59Å; F531-W538 AromaticContact CE1-CE3 3.78Å; F531-W538 HydrophobicContact CE1-CE3 3.78Å; F531-W538 AromaticContact CE1-CG 3.84Å; F531-W538 HydrophobicContact CE1-CG 3.84Å; F531-W538 HydrophobicContact CE1-CZ3 4.29Å
532	T	92.5	Very high	91.3	Very high	23 Å²	23	38.6 Å²	38.6	14%	0.141	19%	0.194	C	C	.	.	H	α-helix	trans	-66.4	-49	178.6	-53.5	0	0	0	0	111.4	L528 M529 K534 N535 I548	L528-T532 WeakPolarHBondContact O-CB 3.42Å; L528-T532 PolarHBondContact O-N 3.19Å; L528-T532 PolarHBondContact O-OG1 3.07Å; M529-T532 PolarHBondContact O-N 3.35Å; T532-K534 VanDerWaalsContact C-N 3.27Å; T532-K534 PolarHBondContact O-N 3.4Å; T532-N535 CarbonylContact O-C 3.56Å; T532-N535 PolarHBondContact O-N 3.26Å; T532-I548 HydrophobicContact CG2-CD1 4.17Å
533	L	90.7	Very high	91	Very high	22 Å²	22	42.3 Å²	42.3	12%	0.115	21%	0.211	C	C	.	.	H	α-helix	trans	-62.6	-35.1	177.2	-66.7	178.9	0	0	0	112	M529 E687 M688	M529-L533 HydrophobicContact CG-CD1 3.95Å; M529-L533 HydrophobicContact CG-CG 4.35Å; M529-L533 WeakPolarHBondContact O-CG 3.09Å; M529-L533 PolarHBondContact O-N 3.32Å; M529-L533 HydrophobicContact SD-CD1 4.05Å; M529-L533 HydrophobicContact SD-CD2 4.39Å; M529-L533 HydrophobicContact SD-CG 3.99Å; L533-E687 HydrophobicContact CD1-CB 4.38Å; L533-E687 HydrophobicContact CD1-CG 4.04Å; L533-E687 VanDerWaalsContact CD2-CD 3.42Å; L533-E687 HydrophobicContact CD2-CG 4.08Å; L533-E687 WeakPolarHBondContact CD2-OE1 3.38Å; L533-M688 HydrophobicContact CD1-CB 3.8Å; L533-M688 HydrophobicContact CD1-CG 4.47Å; L533-M688 HydrophobicContact CD1-SD 3.99Å
534	K	90.1	Very high	90.8	Very high	41 Å²	41	42.3 Å²	42.3	18%	0.178	21%	0.212	C	C	.	.	H	α-helix	trans	-77.5	-29.8	179.9	-169.8	61	178	-175	0	113.9	E320 H530 F531 T532 P536 S681	E320-K534 VanDerWaalsContact OE1-CE 3.26Å; E320-K534 WeakPolarHBondContact OE1-CE 3.47Å; H530-K534 WeakPolarHBondContact O-CB 3.28Å; H530-K534 PolarHBondContact O-N 3.33Å; F531-K534 PolarHBondContact O-N 2.84Å; T532-K534 VanDerWaalsContact C-N 3.27Å; T532-K534 PolarHBondContact O-N 3.4Å; K534-P536 WeakPolarHBondContact O-CD 3.42Å; K534-S681 PolarHBondContact NZ-OG 3.16Å
535	N	91.1	Very high	90.5	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.011	23%	0.229	C	C	.	.			trans	-125.8	68.6	-175.8	-54.7	-93.7	0	0	0	110.4	Q155 E176 Y180 F531 T532 R537 W538	Q155-N535 PolarHBondContact NE2-OD1 3.14Å; E176-N535 HydrophobicContact CB-CB 4.45Å; E176-N535 HydrophobicContact CG-CB 4.4Å; Y180-N535 WeakPolarHBondContact CE2-OD1 3.33Å; Y180-N535 PolarHBondContact OH-ND2 3.45Å; Y180-N535 PolarHBondContact OH-OD1 3.23Å; F531-N535 HydrophobicContact CE1-CB 4.35Å; F531-N535 WeakPolarHBondContact O-CB 3.4Å; F531-N535 PolarHBondContact O-N 2.93Å; F531-N535 PolarHBondContact O-ND2 3.37Å; T532-N535 CarbonylContact O-C 3.56Å; T532-N535 PolarHBondContact O-N 3.26Å; N535-R537 PolarHBondContact O-N 2.87Å; N535-W538 HydrophobicContact CB-CB 4.17Å; N535-W538 VanDerWaalsContact O-CB 3.3Å; N535-W538 WeakPolarHBondContact O-CB 3.31Å; N535-W538 PolarHBondContact O-N 3.03Å
536	P	87.9	Confident	90.3	Very high	109 Å²	109	49.9 Å²	49.9	71%	0.708	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-9.9	-167.5	26.7	-37	0	0	0	115.9	K534	K534-P536 WeakPolarHBondContact O-CD 3.42Å
537	R	86.8	Confident	90	Very high	137 Å²	137	50.6 Å²	50.6	52%	0.517	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-16.9	171.1	-72.5	-174.1	-55.4	-108.8	-39.9	113.7	D156 E176 N535 Q539	D156-R537 VanDerWaalsContact CG-NH1 3.26Å; D156-R537 IonicContact OD1-CZ 2.78Å; D156-R537 VanDerWaalsContact OD1-CZ 3.26Å; D156-R537 IonicContact OD1-NH1 2.81Å; D156-R537 PolarHBondContact OD1-NH1 2.96Å; D156-R537 IonicContact OD1-NH2 3.17Å; D156-R537 PolarHBondContact OD1-NH2 2.77Å; D156-R537 IonicContact OD2-CZ 3.9Å; D156-R537 VanDerWaalsContact OD2-CZ 3.29Å; D156-R537 IonicContact OD2-NH1 3.79Å; D156-R537 PolarHBondContact OD2-NH1 3.06Å; D156-R537 IonicContact OD2-NH2 3.54Å; D156-R537 PolarHBondContact OD2-NH2 2.65Å; D156-R537 VanDerWaalsContact OD2-NH2 3.1Å; E176-R537 WeakPolarHBondContact OE1-CB 3.25Å; E176-R537 IonicContact OE1-NE 3.21Å; N535-R537 PolarHBondContact O-N 2.87Å; R537-Q539 PolarHBondContact O-N 3.25Å
538	W	90.3	Very high	89.7	Confident	17 Å²	17	51.3 Å²	51.3	6%	0.064	26%	0.262	C	S	.	.			trans	-68.6	126.1	176.7	173.5	66.5	0	0	0	109.2	E176 L177 M495 L528 F531 N535 P540	E176-W538 HydrophobicContact CB-CB 4.33Å; E176-W538 HydrophobicContact CG-CB 4.49Å; L177-W538 HydrophobicContact CD2-CZ2 3.9Å; M495-W538 HydrophobicContact CE-CH2 3.96Å; M495-W538 HydrophobicContact CE-CZ2 4.4Å; L528-W538 HydrophobicContact CD1-CH2 3.75Å; L528-W538 HydrophobicContact CD1-CZ3 3.91Å; F531-W538 AromaticContact CD1-CD2 3.88Å; F531-W538 HydrophobicContact CD1-CD2 3.88Å; F531-W538 AromaticContact CD1-CE3 3.55Å; F531-W538 HydrophobicContact CD1-CE3 3.55Å; F531-W538 HydrophobicContact CD1-CH2 4.24Å; F531-W538 AromaticContact CD1-CZ3 3.73Å; F531-W538 HydrophobicContact CD1-CZ3 3.73Å; F531-W538 HydrophobicContact CE1-CB 4.34Å; F531-W538 AromaticContact CE1-CD2 3.59Å; F531-W538 HydrophobicContact CE1-CD2 3.59Å; F531-W538 AromaticContact CE1-CE3 3.78Å; F531-W538 HydrophobicContact CE1-CE3 3.78Å; F531-W538 AromaticContact CE1-CG 3.84Å; F531-W538 HydrophobicContact CE1-CG 3.84Å; F531-W538 HydrophobicContact CE1-CZ3 4.29Å; N535-W538 HydrophobicContact CB-CB 4.17Å; N535-W538 VanDerWaalsContact O-CB 3.3Å; N535-W538 WeakPolarHBondContact O-CB 3.31Å; N535-W538 PolarHBondContact O-N 3.03Å; W538-P540 HydrophobicContact CE3-CB 4.33Å; W538-P540 HydrophobicContact CH2-CB 3.78Å; W538-P540 HydrophobicContact CZ2-CB 4.4Å; W538-P540 HydrophobicContact CZ3-CB 3.72Å; W538-P540 WeakPolarHBondContact O-CD 3.48Å
539	Q	88.1	Confident	89.4	Confident	170 Å²	170	53.4 Å²	53.4	79%	0.794	28%	0.277	S	S	*	.			trans	-88.5	115.5	175.4	-66.5	-179.4	-0.4	0	0	109	R537	R537-Q539 PolarHBondContact O-N 3.25Å
540	P	88.7	Confident	89.2	Confident	35 Å²	35	57 Å²	57	23%	0.227	29%	0.294	C	S	.	.			trans	-66.8	153.6	176	25.4	-32	0	0	0	111.5	W538 I548	W538-P540 HydrophobicContact CE3-CB 4.33Å; W538-P540 HydrophobicContact CH2-CB 3.78Å; W538-P540 HydrophobicContact CZ2-CB 4.4Å; W538-P540 HydrophobicContact CZ3-CB 3.72Å; W538-P540 WeakPolarHBondContact O-CD 3.48Å; P540-I548 HydrophobicContact CB-CD1 4.21Å; P540-I548 HydrophobicContact CG-CD1 4.05Å
541	P	88.7	Confident	88.9	Confident	70 Å²	70	56.4 Å²	56.4	46%	0.455	29%	0.291	S	S	.	.			trans	-55.1	156.2	169.3	-24.1	34.1	0	0	0	112.2	E543 S544 S545	P541-E543 VanDerWaalsContact C-N 3.27Å; P541-E543 PolarHBondContact O-N 3.22Å; P541-E543 VanDerWaalsContact O-N 3.16Å; P541-S544 WeakPolarHBondContact O-CB 3.43Å; P541-S544 PolarHBondContact O-N 2.64Å; P541-S544 VanDerWaalsContact O-N 3.11Å; P541-S545 WeakPolarHBondContact O-CA 3.26Å; P541-S545 PolarHBondContact O-N 2.89Å
542	Q	86.1	Confident	88.6	Confident	159 Å²	159	60 Å²	60	74%	0.743	31%	0.307	S	S	*	.	H	α-helix	trans	-56.9	-34.3	-173.2	-173.1	176.3	1.2	0	0	114.4	S545 L546	Q542-S545 WeakPolarHBondContact O-CA 3.4Å; Q542-L546 WeakPolarHBondContact O-CG 3.43Å; Q542-L546 PolarHBondContact O-N 2.95Å; Q542-L546 VanDerWaalsContact O-N 3.14Å
543	E	83.9	Confident	88.4	Confident	78 Å²	78	64.4 Å²	64.4	36%	0.364	33%	0.326	S	S	.	.	H	α-helix	trans	-73.1	-45.9	177.5	-60.9	178.9	166.6	0	0	111.1	R498 P541 L546 F547	R498-E543 WeakPolarHBondContact CB-OE2 3.4Å; R498-E543 VanDerWaalsContact CD-CD 3.44Å; R498-E543 WeakPolarHBondContact CD-OE1 3.28Å; R498-E543 WeakPolarHBondContact CD-OE2 3.34Å; R498-E543 IonicContact CZ-OE1 2.79Å; R498-E543 IonicContact NE-OE1 2.74Å; R498-E543 IonicContact NH1-OE1 3.43Å; R498-E543 PolarHBondContact NH1-OE1 2.79Å; P541-E543 VanDerWaalsContact C-N 3.27Å; P541-E543 PolarHBondContact O-N 3.22Å; P541-E543 VanDerWaalsContact O-N 3.16Å; E543-L546 PolarHBondContact O-N 2.64Å; E543-L546 VanDerWaalsContact O-N 3.17Å; E543-F547 PolarHBondContact O-N 3.14Å; E543-F547 VanDerWaalsContact O-N 3.17Å
544	S	87.5	Confident	88.2	Confident	3 Å²	3	66.7 Å²	66.7	2%	0.021	34%	0.335	C	S	.	.	H	α-helix	trans	-60.8	-51.5	174.1	-56.3	0	0	0	0	112.3	P541 F547 I548	P541-S544 WeakPolarHBondContact O-CB 3.43Å; P541-S544 PolarHBondContact O-N 2.64Å; P541-S544 VanDerWaalsContact O-N 3.11Å; S544-F547 PolarHBondContact O-N 2.91Å; S544-I548 WeakPolarHBondContact O-CD1 3.4Å; S544-I548 VanDerWaalsContact O-CG1 3.31Å; S544-I548 WeakPolarHBondContact O-CG1 3.29Å; S544-I548 PolarHBondContact O-N 3.19Å
545	S	88.4	Confident	88.1	Confident	53 Å²	53	64.9 Å²	64.9	37%	0.371	33%	0.327	S	S	.	.	H	α-helix	trans	11	-94.6	131.7	146.9	0	0	0	0	119.1	P541 Q542 F547 I548 S549	P541-S545 WeakPolarHBondContact O-CA 3.26Å; P541-S545 PolarHBondContact O-N 2.89Å; Q542-S545 WeakPolarHBondContact O-CA 3.4Å; S545-F547 VanDerWaalsContact C-N 3.35Å; S545-I548 PolarHBondContact O-N 3.11Å; S545-S549 PolarHBondContact O-N 2.91Å; S545-S549 VanDerWaalsContact O-N 3.11Å
546	L	88.9	Confident	87.8	Confident	106 Å²	106	69.2 Å²	69.2	56%	0.555	35%	0.347	S	S	*	.	H	α-helix	trans	-64.8	-35.4	-174.5	-67.7	165.1	0	0	0	112.3	Q542 E543 S549 H550	Q542-L546 WeakPolarHBondContact O-CG 3.43Å; Q542-L546 PolarHBondContact O-N 2.95Å; Q542-L546 VanDerWaalsContact O-N 3.14Å; E543-L546 PolarHBondContact O-N 2.64Å; E543-L546 VanDerWaalsContact O-N 3.17Å; L546-S549 WeakPolarHBondContact CA-OG 3.37Å; L546-S549 PolarHBondContact O-N 3.06Å; L546-S549 PolarHBondContact O-OG 3.29Å; L546-S549 VanDerWaalsContact O-OG 3.05Å; L546-H550 VanDerWaalsContact O-CB 3.23Å; L546-H550 WeakPolarHBondContact O-CB 3.26Å; L546-H550 PolarHBondContact O-N 2.7Å
547	F	88.6	Confident	87.8	Confident	15 Å²	15	70 Å²	70	7%	0.066	34%	0.342	C	S	.	.	H	α-helix	trans	-62.3	-46.3	173.5	172.1	-96.3	0	0	0	111.6	I497 M506 E525 L528 E543 S544 S545 S549 H550 L551 M695	I497-F547 HydrophobicContact CD1-CB 3.63Å; I497-F547 HydrophobicContact CD1-CD1 3.28Å; I497-F547 HydrophobicContact CD1-CD2 3.97Å; I497-F547 HydrophobicContact CD1-CE1 3.87Å; I497-F547 HydrophobicContact CD1-CE2 4.47Å; I497-F547 HydrophobicContact CD1-CG 3.33Å; I497-F547 HydrophobicContact CD1-CZ 4.43Å; M506-F547 HydrophobicContact CG-CD2 4.41Å; M506-F547 HydrophobicContact CG-CE2 4.01Å; E525-F547 HydrophobicContact CB-CE1 4.34Å; E525-F547 HydrophobicContact CB-CZ 4.02Å; E525-F547 HydrophobicContact CG-CE2 4.44Å; E525-F547 HydrophobicContact CG-CZ 4.03Å; L528-F547 HydrophobicContact CD2-CD1 4.15Å; E543-F547 PolarHBondContact O-N 3.14Å; E543-F547 VanDerWaalsContact O-N 3.17Å; S544-F547 PolarHBondContact O-N 2.91Å; S545-F547 VanDerWaalsContact C-N 3.35Å; F547-S549 PolarHBondContact O-N 3.4Å; F547-H550 PolarHBondContact O-N 2.91Å; F547-L551 HydrophobicContact CE1-CD2 4.01Å; F547-L551 HydrophobicContact CZ-CD2 4.04Å; F547-L551 VanDerWaalsContact O-CB 3.28Å; F547-L551 WeakPolarHBondContact O-CB 3.3Å; F547-L551 PolarHBondContact O-N 2.95Å; F547-M695 HydrophobicContact CZ-CE 4.31Å
548	I	89	Confident	87.7	Confident	14 Å²	14	65.7 Å²	65.7	7%	0.072	33%	0.329	C	S	.	.	H	α-helix	trans	-65.3	-39.8	179.5	-65.3	160	0	0	0	110.9	L528 T532 P540 S544 S545 K552	L528-I548 HydrophobicContact CD1-CD1 4.44Å; L528-I548 HydrophobicContact CD2-CD1 3.91Å; L528-I548 HydrophobicContact CD2-CG1 4.04Å; L528-I548 HydrophobicContact CG-CD1 4.06Å; L528-I548 HydrophobicContact CG-CG1 4.5Å; T532-I548 HydrophobicContact CG2-CD1 4.17Å; P540-I548 HydrophobicContact CB-CD1 4.21Å; P540-I548 HydrophobicContact CG-CD1 4.05Å; S544-I548 WeakPolarHBondContact O-CD1 3.4Å; S544-I548 VanDerWaalsContact O-CG1 3.31Å; S544-I548 WeakPolarHBondContact O-CG1 3.29Å; S544-I548 PolarHBondContact O-N 3.19Å; S545-I548 PolarHBondContact O-N 3.11Å; I548-K552 HydrophobicContact CG2-CD 4.29Å; I548-K552 WeakPolarHBondContact O-CB 3.12Å; I548-K552 WeakPolarHBondContact O-CG 3.33Å; I548-K552 PolarHBondContact O-N 2.78Å
549	S	88.6	Confident	87.3	Confident	45 Å²	45	65.7 Å²	65.7	32%	0.315	33%	0.333	S	S	.	.	H	α-helix	trans	-67.2	-47.5	176.6	63.5	0	0	0	0	111.7	S545 L546 F547 L551 K552 E553	S545-S549 PolarHBondContact O-N 2.91Å; S545-S549 VanDerWaalsContact O-N 3.11Å; L546-S549 WeakPolarHBondContact CA-OG 3.37Å; L546-S549 PolarHBondContact O-N 3.06Å; L546-S549 PolarHBondContact O-OG 3.29Å; L546-S549 VanDerWaalsContact O-OG 3.05Å; F547-S549 PolarHBondContact O-N 3.4Å; S549-L551 VanDerWaalsContact C-N 3.32Å; S549-L551 PolarHBondContact O-N 3.48Å; S549-K552 PolarHBondContact O-N 3.2Å; S549-K552 VanDerWaalsContact O-N 3.11Å; S549-E553 WeakPolarHBondContact O-CB 3.22Å; S549-E553 WeakPolarHBondContact O-CG 3.26Å; S549-E553 PolarHBondContact O-N 3.41Å
550	H	88.5	Confident	87	Confident	75 Å²	75	65.5 Å²	65.5	35%	0.347	33%	0.331	S	S	.	.	H	α-helix	trans	-59.1	-41.2	177.2	179.8	-117	0	0	0	112.3	S507 L546 F547 E553 K554	S507-H550 PolarHBondContact OG-CE1 3.07Å; L546-H550 VanDerWaalsContact O-CB 3.23Å; L546-H550 WeakPolarHBondContact O-CB 3.26Å; L546-H550 PolarHBondContact O-N 2.7Å; F547-H550 PolarHBondContact O-N 2.91Å; H550-E553 PolarHBondContact O-N 3.3Å; H550-K554 WeakPolarHBondContact O-CB 3.3Å; H550-K554 PolarHBondContact O-N 3.43Å
551	L	87.8	Confident	86.3	Confident	10 Å²	10	67.3 Å²	67.3	5%	0.052	36%	0.356	C	S	.	.	H	α-helix	trans	-65.7	-39.6	175.7	-178	55.4	0	0	0	112	M529 F547 S549 K554 V555 Y694 M695	M529-L551 HydrophobicContact CE-CD2 3.49Å; M529-L551 VanDerWaalsContact CE-CD2 3.49Å; M529-L551 HydrophobicContact CE-CG 4.34Å; F547-L551 HydrophobicContact CE1-CD2 4.01Å; F547-L551 HydrophobicContact CZ-CD2 4.04Å; F547-L551 VanDerWaalsContact O-CB 3.28Å; F547-L551 WeakPolarHBondContact O-CB 3.3Å; F547-L551 PolarHBondContact O-N 2.95Å; S549-L551 VanDerWaalsContact C-N 3.32Å; S549-L551 PolarHBondContact O-N 3.48Å; L551-K554 PolarHBondContact O-N 3.41Å; L551-V555 WeakPolarHBondContact O-CB 3.45Å; L551-V555 WeakPolarHBondContact O-CG2 3.47Å; L551-V555 PolarHBondContact O-N 3.05Å; L551-Y694 HydrophobicContact CD1-CD1 4.14Å; L551-Y694 HydrophobicContact CD1-CE1 3.7Å; L551-M695 HydrophobicContact CD2-CG 4.25Å; L551-M695 HydrophobicContact CD2-SD 3.92Å
552	K	88.1	Confident	85.4	Confident	77 Å²	77	65 Å²	65	34%	0.335	35%	0.346	S	S	.	.	H	α-helix	trans	-68	-40.3	174.7	-76.3	-177.2	175.9	-164.4	0	112.8	I548 S549 K554 V555 Q556	I548-K552 HydrophobicContact CG2-CD 4.29Å; I548-K552 WeakPolarHBondContact O-CB 3.12Å; I548-K552 WeakPolarHBondContact O-CG 3.33Å; I548-K552 PolarHBondContact O-N 2.78Å; S549-K552 PolarHBondContact O-N 3.2Å; S549-K552 VanDerWaalsContact O-N 3.11Å; K552-K554 VanDerWaalsContact C-N 3.35Å; K552-V555 PolarHBondContact O-N 3.08Å; K552-Q556 VanDerWaalsContact O-CG 3.32Å; K552-Q556 WeakPolarHBondContact O-CG 3.3Å; K552-Q556 PolarHBondContact O-N 2.97Å
553	E	88.2	Confident	84.9	Confident	115 Å²	115	58.3 Å²	58.3	54%	0.537	32%	0.316	S	S	.	.	H	α-helix	trans	-61.6	-43.9	173.9	-74.5	163.5	-156	0	0	110.7	S549 H550 Q556 H557	S549-E553 WeakPolarHBondContact O-CB 3.22Å; S549-E553 WeakPolarHBondContact O-CG 3.26Å; S549-E553 PolarHBondContact O-N 3.41Å; H550-E553 PolarHBondContact O-N 3.3Å; E553-Q556 PolarHBondContact O-N 2.93Å; E553-H557 WeakPolarHBondContact O-CB 3.33Å; E553-H557 PolarHBondContact O-N 3.39Å
554	K	87.2	Confident	84.4	Confident	70 Å²	70	58.1 Å²	58.1	30%	0.304	32%	0.323	S	S	.	.	H	α-helix	trans	-63.9	-44	175.8	-160	-179.2	-175.1	172.2	0	112.4	H550 L551 K552 Q556 H557 D558 Y694 L698	H550-K554 WeakPolarHBondContact O-CB 3.3Å; H550-K554 PolarHBondContact O-N 3.43Å; L551-K554 PolarHBondContact O-N 3.41Å; K552-K554 VanDerWaalsContact C-N 3.35Å; K554-Q556 VanDerWaalsContact C-N 3.31Å; K554-Q556 PolarHBondContact O-N 2.93Å; K554-H557 PolarHBondContact O-N 3.11Å; K554-D558 WeakPolarHBondContact O-CB 3.28Å; K554-D558 VanDerWaalsContact O-CG 3.25Å; K554-D558 PolarHBondContact O-N 2.95Å; K554-Y694 WeakPolarHBondContact CG-OH 3.41Å; K554-L698 HydrophobicContact CD-CD1 4.11Å; K554-L698 HydrophobicContact CD-CD2 3.98Å; K554-L698 VanDerWaalsContact CE-CD1 3.5Å
555	V	86.9	Confident	83.5	Confident	3 Å²	3	59.5 Å²	59.5	2%	0.018	33%	0.332	C	S	.	.	H	α-helix	trans	-58	-42	172	162	0	0	0	0	111.6	L551 K552 A559 A623 L626 Y694	L551-V555 WeakPolarHBondContact O-CB 3.45Å; L551-V555 WeakPolarHBondContact O-CG2 3.47Å; L551-V555 PolarHBondContact O-N 3.05Å; K552-V555 PolarHBondContact O-N 3.08Å; V555-A559 WeakPolarHBondContact O-CB 3.34Å; V555-A559 PolarHBondContact O-N 2.98Å; V555-A623 HydrophobicContact CG1-CB 4.41Å; V555-L626 HydrophobicContact CG1-CB 3.64Å; V555-L626 HydrophobicContact CG1-CD1 4.2Å; V555-L626 HydrophobicContact CG2-CD1 4.32Å; V555-Y694 HydrophobicContact CG2-CD1 3.81Å; V555-Y694 HydrophobicContact CG2-CD2 4.37Å; V555-Y694 HydrophobicContact CG2-CE1 3.57Å; V555-Y694 HydrophobicContact CG2-CE2 4.17Å; V555-Y694 HydrophobicContact CG2-CG 4.23Å
556	Q	86.3	Confident	82.4	Confident	92 Å²	92	65 Å²	65	43%	0.43	35%	0.352	S	S	.	.	H	α-helix	trans	-69.4	-35.7	176.9	-73.3	175.8	15.3	0	0	113	K552 E553 K554 Q560	K552-Q556 VanDerWaalsContact O-CG 3.32Å; K552-Q556 WeakPolarHBondContact O-CG 3.3Å; K552-Q556 PolarHBondContact O-N 2.97Å; E553-Q556 PolarHBondContact O-N 2.93Å; K554-Q556 VanDerWaalsContact C-N 3.31Å; K554-Q556 PolarHBondContact O-N 2.93Å; Q556-Q560 WeakPolarHBondContact O-CG 3.31Å; Q556-Q560 PolarHBondContact O-N 3.4Å; Q556-Q560 PolarHBondContact O-NE2 2.87Å
557	H	86.3	Confident	81.4	Confident	127 Å²	127	63 Å²	63	59%	0.588	34%	0.341	S	S	*	.	H	α-helix	trans	-66.5	-50.1	175.1	177.3	-85.4	0	0	0	111.2	E553 K554 A559 Q560	E553-H557 WeakPolarHBondContact O-CB 3.33Å; E553-H557 PolarHBondContact O-N 3.39Å; K554-H557 PolarHBondContact O-N 3.11Å; H557-A559 VanDerWaalsContact C-N 3.26Å; H557-A559 PolarHBondContact O-N 3.02Å; H557-Q560 WeakPolarHBondContact O-CB 3.48Å; H557-Q560 PolarHBondContact O-N 3.31Å
558	D	84.8	Confident	80.4	Confident	45 Å²	45	62.2 Å²	62.2	24%	0.241	34%	0.338	C	S	.	.	H	α-helix	trans	-66.4	-30.4	-179.5	-63.8	-10.9	0	0	0	111.7	K554 Q560 G561 G562 A623 Y694	K554-D558 WeakPolarHBondContact O-CB 3.28Å; K554-D558 VanDerWaalsContact O-CG 3.25Å; K554-D558 PolarHBondContact O-N 2.95Å; D558-Q560 VanDerWaalsContact C-N 3.31Å; D558-Q560 PolarHBondContact O-N 3.32Å; D558-G561 PolarHBondContact O-N 3.43Å; D558-G562 PolarHBondContact O-N 3.28Å; D558-G562 VanDerWaalsContact O-N 3.07Å; D558-A623 HydrophobicContact CB-CB 4.09Å; D558-Y694 HydrophobicContact CB-CE2 4.46Å; D558-Y694 PolarHBondContact OD2-OH 3.36Å
559	A	83.7	Confident	79.2	Confident	18 Å²	18	65.2 Å²	65.2	15%	0.149	35%	0.353	C	S	.	.	H	α-helix	trans	-65.1	-28.9	171.5	0	0	0	0	0	113.7	V555 H557 G561 G562 A623 A627	V555-A559 WeakPolarHBondContact O-CB 3.34Å; V555-A559 PolarHBondContact O-N 2.98Å; H557-A559 VanDerWaalsContact C-N 3.26Å; H557-A559 PolarHBondContact O-N 3.02Å; A559-G561 VanDerWaalsContact C-N 3.34Å; A559-G562 PolarHBondContact O-N 2.65Å; A559-A623 HydrophobicContact CB-CB 4.2Å; A559-A627 HydrophobicContact CB-CB 3.57Å
560	Q	80.5	Confident	77.8	Confident	165 Å²	165	66.5 Å²	66.5	77%	0.771	36%	0.363	S	S	*	.	H	α-helix	trans	-72.1	-29	176.4	-69.9	170.5	39.1	0	0	112.3	Q556 H557 D558	Q556-Q560 WeakPolarHBondContact O-CG 3.31Å; Q556-Q560 PolarHBondContact O-N 3.4Å; Q556-Q560 PolarHBondContact O-NE2 2.87Å; H557-Q560 WeakPolarHBondContact O-CB 3.48Å; H557-Q560 PolarHBondContact O-N 3.31Å; D558-Q560 VanDerWaalsContact C-N 3.31Å; D558-Q560 PolarHBondContact O-N 3.32Å
561	G	73.4	Confident	76.4	Confident	73 Å²	73	64.4 Å²	64.4	75%	0.753	35%	0.353	S	S	*	.	S	Bend	trans	-88.2	-3.1	169.2	0	0	0	0	0	114.1	D558 A559	D558-G561 PolarHBondContact O-N 3.43Å; A559-G561 VanDerWaalsContact C-N 3.34Å
562	G	71.8	Confident	75	Confident	23 Å²	23	64.1 Å²	64.1	24%	0.237	35%	0.352	C	S	.	.	S	Bend	trans	-88.9	171.7	-171.2	0	0	0	0	0	115.1	D558 A559	D558-G562 PolarHBondContact O-N 3.28Å; D558-G562 VanDerWaalsContact O-N 3.07Å; A559-G562 PolarHBondContact O-N 2.65Å
563	P	74.8	Confident	73.2	Confident	18 Å²	18	64 Å²	64	12%	0.117	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-65.4	150.5	173	29.5	-36	0	0	0	111.4	L568 H597 A621 S624	P563-L568 HydrophobicContact CB-CD2 4.27Å; P563-L568 HydrophobicContact CG-CD1 4.23Å; P563-L568 HydrophobicContact CG-CD2 3.99Å; P563-L568 HydrophobicContact CG-CG 4.35Å; P563-H597 WeakPolarHBondContact CB-NE2 3.44Å; P563-H597 WeakPolarHBondContact CG-NE2 3.35Å; P563-A621 HydrophobicContact CG-CB 4.3Å; P563-S624 WeakPolarHBondContact O-CB 3.43Å; P563-S624 PolarHBondContact O-OG 3.06Å
564	S	73.4	Confident	71.4	Confident	73 Å²	73	64.3 Å²	64.3	51%	0.51	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-70.9	135.9	-177.2	69.6	0	0	0	0	112	Q566 L567 L568	S564-Q566 PolarHBondContact O-N 3.5Å; S564-Q566 VanDerWaalsContact O-N 3.15Å; S564-L567 WeakPolarHBondContact O-CB 3.43Å; S564-L567 PolarHBondContact O-N 2.97Å; S564-L567 WeakPolarHBondContact OG-CB 3.47Å; S564-L568 PolarHBondContact O-N 3.35Å
565	T	67.6	Low	69.5	Low	33 Å²	33	61.6 Å²	61.6	20%	0.202	35%	0.353	C	S	.	.	H	α-helix	trans	-60.5	-29.9	-176.5	-33.6	0	0	0	0	112.9	L569 S624 V625	T565-L569 HydrophobicContact CG2-CD1 4.17Å; T565-L569 HydrophobicContact CG2-CG 4.47Å; T565-L569 WeakPolarHBondContact O-CB 3.15Å; T565-L569 VanDerWaalsContact O-CG 3.24Å; T565-L569 WeakPolarHBondContact O-CG 3.49Å; T565-L569 PolarHBondContact O-N 2.73Å; T565-S624 PolarHBondContact OG1-O 3.19Å; T565-V625 HydrophobicContact CG2-CG2 4.17Å
566	Q	65.5	Low	67.6	Low	168 Å²	168	64.7 Å²	64.7	79%	0.785	37%	0.372	S	S	*	.	H	α-helix	trans	-66.7	-36.6	175.6	-68.8	-179.7	-7.1	0	0	112.5	S564 S570	S564-Q566 PolarHBondContact O-N 3.5Å; S564-Q566 VanDerWaalsContact O-N 3.15Å; Q566-S570 WeakPolarHBondContact O-CB 3.12Å; Q566-S570 PolarHBondContact O-N 3.24Å; Q566-S570 VanDerWaalsContact O-N 3.14Å
567	L	68.1	Low	65.5	Low	63 Å²	63	65.1 Å²	65.1	33%	0.33	39%	0.386	S	S	.	.	H	α-helix	trans	-65.4	-52.2	174.3	-177.9	66.4	0	0	0	110.1	S564 L569 S570 E571	S564-L567 WeakPolarHBondContact O-CB 3.43Å; S564-L567 PolarHBondContact O-N 2.97Å; S564-L567 WeakPolarHBondContact OG-CB 3.47Å; L567-L569 VanDerWaalsContact C-N 3.3Å; L567-L569 PolarHBondContact O-N 3.31Å; L567-S570 WeakPolarHBondContact O-CA 3.48Å; L567-S570 PolarHBondContact O-N 3.26Å; L567-S570 PolarHBondContact O-OG 2.84Å; L567-E571 PolarHBondContact O-N 3.13Å; L567-E571 VanDerWaalsContact O-N 3.13Å
568	L	67	Low	63.5	Low	0 Å²	0	66 Å²	66	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-52.7	-46	177.4	-62.3	177.9	0	0	0	112.5	P563 S564 S570 E571 A572 S593 H597 A621 V625	P563-L568 HydrophobicContact CB-CD2 4.27Å; P563-L568 HydrophobicContact CG-CD1 4.23Å; P563-L568 HydrophobicContact CG-CD2 3.99Å; P563-L568 HydrophobicContact CG-CG 4.35Å; S564-L568 PolarHBondContact O-N 3.35Å; L568-S570 VanDerWaalsContact C-N 3.3Å; L568-S570 PolarHBondContact O-N 3.32Å; L568-E571 PolarHBondContact O-N 3.02Å; L568-A572 PolarHBondContact O-N 3.4Å; L568-S593 WeakPolarHBondContact O-CB 3.35Å; L568-H597 HydrophobicContact CD2-CB 3.51Å; L568-H597 WeakPolarHBondContact CD2-ND1 3.49Å; L568-A621 HydrophobicContact CD1-CB 4.13Å; L568-A621 HydrophobicContact CD2-CB 3.99Å; L568-V625 HydrophobicContact CD1-CG2 3.82Å
569	L	64.3	Low	61.5	Low	76 Å²	76	68.7 Å²	68.7	40%	0.398	41%	0.405	S	S	.	.	H	α-helix	trans	-70.4	-24.2	179.5	-71.6	171.8	0	0	0	113.4	T565 L567 P573 L590	T565-L569 HydrophobicContact CG2-CD1 4.17Å; T565-L569 HydrophobicContact CG2-CG 4.47Å; T565-L569 WeakPolarHBondContact O-CB 3.15Å; T565-L569 VanDerWaalsContact O-CG 3.24Å; T565-L569 WeakPolarHBondContact O-CG 3.49Å; T565-L569 PolarHBondContact O-N 2.73Å; L567-L569 VanDerWaalsContact C-N 3.3Å; L567-L569 PolarHBondContact O-N 3.31Å; L569-P573 WeakPolarHBondContact O-CD 3.33Å; L569-L590 HydrophobicContact CD2-CD2 3.71Å
570	S	59.3	Low	59.3	Low	73 Å²	73	72.8 Å²	72.8	51%	0.51	43%	0.432	S	S	.	.	H	α-helix	trans	-80.6	-20.9	174.6	75	0	0	0	0	113.7	Q566 L567 L568 P573	Q566-S570 WeakPolarHBondContact O-CB 3.12Å; Q566-S570 PolarHBondContact O-N 3.24Å; Q566-S570 VanDerWaalsContact O-N 3.14Å; L567-S570 WeakPolarHBondContact O-CA 3.48Å; L567-S570 PolarHBondContact O-N 3.26Å; L567-S570 PolarHBondContact O-OG 2.84Å; L568-S570 VanDerWaalsContact C-N 3.3Å; L568-S570 PolarHBondContact O-N 3.32Å; S570-P573 VanDerWaalsContact O-CD 3.29Å; S570-P573 WeakPolarHBondContact O-CD 3.33Å
571	E	60.7	Low	57.3	Low	31 Å²	31	72.4 Å²	72.4	15%	0.145	44%	0.435	C	S	.	.	H	α-helix	trans	-81	-28.7	175.1	-68.4	171.5	170.3	0	0	111.8	L567 L568 P573 L574 H597 L600	L567-E571 PolarHBondContact O-N 3.13Å; L567-E571 VanDerWaalsContact O-N 3.13Å; L568-E571 PolarHBondContact O-N 3.02Å; E571-P573 VanDerWaalsContact C-CD 3.48Å; E571-L574 PolarHBondContact O-N 2.81Å; E571-H597 IonicContact OE1-ND1 2.75Å; E571-H597 IonicContact OE2-CE1 2.69Å; E571-H597 IonicContact OE2-CG 3.65Å; E571-H597 IonicContact OE2-ND1 3.01Å; E571-H597 PolarHBondContact OE2-ND1 3.14Å; E571-L600 HydrophobicContact CB-CD1 3.91Å; E571-L600 VanDerWaalsContact CD-CD1 3.44Å; E571-L600 HydrophobicContact CG-CD1 3.75Å
572	A	57.1	Low	55.8	Low	3 Å²	3	75.2 Å²	75.2	3%	0.025	43%	0.429	C	S	.	.	H	α-helix	trans	-54.9	-42.2	-179.8	0	0	0	0	0	116.5	L568 L574 C575 T576	L568-A572 PolarHBondContact O-N 3.4Å; A572-L574 VanDerWaalsContact C-N 3.32Å; A572-L574 PolarHBondContact O-N 3.44Å; A572-C575 WeakPolarHBondContact O-CB 3.37Å; A572-C575 PolarHBondContact O-N 3.41Å; A572-T576 PolarHBondContact O-N 2.77Å; A572-T576 PolarHBondContact O-OG1 2.87Å
573	P	50.7	Low	54.2	Low	75 Å²	75	80 Å²	80	49%	0.487	46%	0.459	S	S	.	.	H	α-helix	trans	-67.3	-29.2	-173.7	-21.6	34.8	0	0	0	114	L569 S570 E571 C575 T576	L569-P573 WeakPolarHBondContact O-CD 3.33Å; S570-P573 VanDerWaalsContact O-CD 3.29Å; S570-P573 WeakPolarHBondContact O-CD 3.33Å; E571-P573 VanDerWaalsContact C-CD 3.48Å; P573-C575 PolarHBondContact O-N 3.1Å; P573-T576 PolarHBondContact O-N 3.19Å
574	L	50.7	Low	52.8	Low	122 Å²	122	81.4 Å²	81.4	64%	0.639	48%	0.476	S	S	*	.	H	α-helix	trans	-59.1	-28	173.9	-69.6	168.6	0	0	0	111.3	E571 A572 L578	E571-L574 PolarHBondContact O-N 2.81Å; A572-L574 VanDerWaalsContact C-N 3.32Å; A572-L574 PolarHBondContact O-N 3.44Å; L574-L578 PolarHBondContact O-N 2.92Å
575	C	46	Very low	51.8	Low	12 Å²	12	80 Å²	80	8%	0.081	47%	0.469	C	S	.	.	H	α-helix	trans	-90.1	-30.3	-173.8	-49.5	0	0	0	0	112.1	A572 P573 S577 L578 H579 I596	A572-C575 WeakPolarHBondContact O-CB 3.37Å; A572-C575 PolarHBondContact O-N 3.41Å; P573-C575 PolarHBondContact O-N 3.1Å; C575-S577 PolarHBondContact O-N 3.39Å; C575-L578 PolarHBondContact O-N 2.94Å; C575-L578 VanDerWaalsContact O-N 3.16Å; C575-H579 PolarHBondContact O-N 3.45Å; C575-I596 HydrophobicContact CB-CD1 3.55Å; C575-I596 WeakPolarHBondContact SG-CD1 3.39Å
576	T	48.6	Very low	51.3	Low	68 Å²	68	80.4 Å²	80.4	42%	0.417	48%	0.48	S	S	.	.	H	α-helix	trans	-62.6	-23.5	168.8	-33.2	0	0	0	0	112	A572 P573	A572-T576 PolarHBondContact O-N 2.77Å; A572-T576 PolarHBondContact O-OG1 2.87Å; P573-T576 PolarHBondContact O-N 3.19Å
577	S	42.4	Very low	51	Low	102 Å²	102	72.8 Å²	72.8	71%	0.713	45%	0.446	S	S	*	.	H	α-helix	trans	-83.5	-32.6	172.3	-58.5	0	0	0	0	113.7	C575	C575-S577 PolarHBondContact O-N 3.39Å
578	L	42.4	Very low	50.8	Low	145 Å²	145	73 Å²	73	76%	0.759	45%	0.445	S	S	*	.	H	α-helix	trans	-79.1	-23.7	175.2	-69.1	170.6	0	0	0	113	L574 C575	L574-L578 PolarHBondContact O-N 2.92Å; C575-L578 PolarHBondContact O-N 2.94Å; C575-L578 VanDerWaalsContact O-N 3.16Å
579	H	44.4	Very low	50.7	Low	102 Å²	102	75 Å²	75	47%	0.472	46%	0.459	S	S	.	.	S	Bend	trans	-101.8	81.2	170.9	-69.2	-26.9	0	0	0	110.3	C575	C575-H579 PolarHBondContact O-N 3.45Å
580	S	36.6	Very low	50.8	Low	104 Å²	104	72.1 Å²	72.1	73%	0.727	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	134.6	-170.9	58.5	0	0	0	0	115.8
581	N	39	Very low	51.5	Low	156 Å²	156	69 Å²	69	83%	0.834	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.6	18.1	147.1	-143.8	48.9	0	0	0	120.6
582	E	42.3	Very low	51.9	Low	132 Å²	132	68.8 Å²	68.8	62%	0.617	43%	0.425	S	S	*	.			trans	-129.7	126.9	160.6	-80.3	176.8	176.9	0	0	111.2	K330 G584	K330-E582 IonicContact NZ-OE1 3.68Å; K330-E582 PolarHBondContact NZ-OE1 3.33Å; K330-E582 IonicContact NZ-OE2 2.67Å; K330-E582 PolarHBondContact NZ-OE2 3.34Å; E582-G584 VanDerWaalsContact C-N 3.26Å; E582-G584 PolarHBondContact O-N 3.21Å
583	S	38.1	Very low	52.4	Low	124 Å²	124	68.7 Å²	68.7	87%	0.867	42%	0.424	S	S	*	.			trans	-70.3	84.1	169.9	55.9	0	0	0	0	109.3
584	G	44.8	Very low	53.4	Low	47 Å²	47	65.1 Å²	65.1	49%	0.485	40%	0.401	S	S	.	.			trans	-57.4	138.4	-176.4	0	0	0	0	0	112.7	E582	E582-G584 VanDerWaalsContact C-N 3.26Å; E582-G584 PolarHBondContact O-N 3.21Å
585	A	52.8	Low	54.4	Low	44 Å²	44	59.9 Å²	59.9	36%	0.364	37%	0.374	S	S	.	.			trans	-59.5	150	167.1	0	0	0	0	0	109.9	A587 E588	A585-A587 PolarHBondContact O-N 3.37Å; A585-E588 PolarHBondContact O-N 2.8Å
586	G	57.5	Low	55.2	Low	42 Å²	42	61.2 Å²	61.2	43%	0.433	38%	0.379	S	S	.	.	H	α-helix	trans	-55.1	-21.1	-174.8	0	0	0	0	0	115	S589 L590	G586-S589 WeakPolarHBondContact CA-OG 3.33Å; G586-S589 PolarHBondContact O-OG 3.31Å; G586-L590 WeakPolarHBondContact O-CG 3.35Å; G586-L590 PolarHBondContact O-N 3.22Å
587	A	59.4	Low	56.1	Low	7 Å²	7	58 Å²	58	6%	0.058	36%	0.36	C	S	.	.	H	α-helix	trans	-64.9	-39.7	173.6	0	0	0	0	0	113.8	A585 L590 E682 A686	A585-A587 PolarHBondContact O-N 3.37Å; A587-L590 WeakPolarHBondContact O-CB 3.3Å; A587-L590 PolarHBondContact O-N 3.06Å; A587-E682 HydrophobicContact CB-CB 4.29Å; A587-A686 HydrophobicContact CB-CB 3.96Å
588	E	63.4	Low	56.9	Low	69 Å²	69	54.6 Å²	54.6	32%	0.322	34%	0.335	S	S	.	.	H	α-helix	trans	-74.4	-32.3	180	-65.2	-66.8	162.1	0	0	111.3	H415 A585 L590 I591 A592	H415-E588 IonicContact CE1-OE2 3.62Å; A585-E588 PolarHBondContact O-N 2.8Å; E588-L590 VanDerWaalsContact C-N 3.25Å; E588-L590 PolarHBondContact O-N 3.41Å; E588-I591 PolarHBondContact O-N 3.21Å; E588-A592 PolarHBondContact O-N 2.94Å
589	S	63.5	Low	57.7	Low	40 Å²	40	50.7 Å²	50.7	28%	0.28	31%	0.314	S	S	.	.	H	α-helix	trans	-65.6	-24.3	172.8	45.2	0	0	0	0	114	G586 S593	G586-S589 WeakPolarHBondContact CA-OG 3.33Å; G586-S589 PolarHBondContact O-OG 3.31Å; S589-S593 PolarHBondContact O-N 3.29Å; S589-S593 PolarHBondContact O-OG 2.95Å
590	L	68.3	Low	58.3	Low	17 Å²	17	49.1 Å²	49.1	9%	0.089	31%	0.309	C	S	.	.	H	α-helix	trans	-72.6	-32.1	173.5	-66.8	169.2	0	0	0	112.5	L569 G586 A587 E588 S593 V594 V625 L629 F683	L569-L590 HydrophobicContact CD2-CD2 3.71Å; G586-L590 WeakPolarHBondContact O-CG 3.35Å; G586-L590 PolarHBondContact O-N 3.22Å; A587-L590 WeakPolarHBondContact O-CB 3.3Å; A587-L590 PolarHBondContact O-N 3.06Å; E588-L590 VanDerWaalsContact C-N 3.25Å; E588-L590 PolarHBondContact O-N 3.41Å; L590-S593 PolarHBondContact O-OG 3.34Å; L590-S593 VanDerWaalsContact O-OG 3.08Å; L590-V594 WeakPolarHBondContact O-CG2 3.42Å; L590-V625 HydrophobicContact CB-CG1 4.31Å; L590-V625 HydrophobicContact CD2-CG1 3.76Å; L590-L629 HydrophobicContact CD1-CD2 4.32Å; L590-F683 HydrophobicContact CD1-CD1 4.26Å; L590-F683 HydrophobicContact CD1-CE1 4.04Å
591	I	73	Confident	59.4	Low	7 Å²	7	45.5 Å²	45.5	4%	0.036	28%	0.282	C	S	.	.	H	α-helix	trans	-77	-43.4	175.8	-59.8	170.8	0	0	0	109.1	A414 E588 S593 V594 L595 A686	A414-I591 HydrophobicContact CB-CG2 3.91Å; E588-I591 PolarHBondContact O-N 3.21Å; I591-S593 PolarHBondContact O-N 3.45Å; I591-V594 PolarHBondContact O-N 2.98Å; I591-L595 HydrophobicContact CG2-CD1 3.73Å; I591-L595 HydrophobicContact CG2-CG 4.3Å; I591-L595 WeakPolarHBondContact O-CG 3.48Å; I591-L595 PolarHBondContact O-N 2.93Å; I591-L595 VanDerWaalsContact O-N 3.12Å; I591-A686 HydrophobicContact CD1-CB 4.23Å; I591-A686 HydrophobicContact CG1-CB 4.34Å
592	A	69	Low	60.1	Low	26 Å²	26	41.9 Å²	41.9	22%	0.215	27%	0.274	C	S	.	.	H	α-helix	trans	-60.5	-41.8	179.7	0	0	0	0	0	113.4	E588 V594 I596	E588-A592 PolarHBondContact O-N 2.94Å; A592-V594 PolarHBondContact O-N 3.03Å; A592-I596 WeakPolarHBondContact O-CB 3.49Å; A592-I596 WeakPolarHBondContact O-CD1 3.37Å; A592-I596 VanDerWaalsContact O-CG1 3.28Å; A592-I596 WeakPolarHBondContact O-CG1 3.3Å; A592-I596 PolarHBondContact O-N 3.41Å
593	S	68.6	Low	60.4	Low	2 Å²	2	38.6 Å²	38.6	1%	0.014	27%	0.266	C	S	.	.	H	α-helix	trans	-61.1	-43.6	177.1	53.5	0	0	0	0	112.6	L568 S589 L590 I591 I596 H597	L568-S593 WeakPolarHBondContact O-CB 3.35Å; S589-S593 PolarHBondContact O-N 3.29Å; S589-S593 PolarHBondContact O-OG 2.95Å; L590-S593 PolarHBondContact O-OG 3.34Å; L590-S593 VanDerWaalsContact O-OG 3.08Å; I591-S593 PolarHBondContact O-N 3.45Å; S593-I596 PolarHBondContact O-N 2.89Å; S593-H597 WeakPolarHBondContact O-CB 3.35Å; S593-H597 PolarHBondContact O-N 3.35Å; S593-H597 VanDerWaalsContact O-N 3.08Å
594	V	71.3	Confident	60.8	Low	0 Å²	0	35.7 Å²	35.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-68.6	-37.6	-176.9	166.8	0	0	0	0	112.2	L590 I591 A592 I596 P598 A621 A622 V625 L690 I693	L590-V594 WeakPolarHBondContact O-CG2 3.42Å; I591-V594 PolarHBondContact O-N 2.98Å; A592-V594 PolarHBondContact O-N 3.03Å; V594-I596 VanDerWaalsContact C-N 3.32Å; V594-P598 WeakPolarHBondContact O-CD 3.36Å; V594-A621 HydrophobicContact CB-CB 4.47Å; V594-A621 HydrophobicContact CG1-CB 4.33Å; V594-A621 HydrophobicContact CG2-CB 4.3Å; V594-A622 HydrophobicContact CG1-CB 3.78Å; V594-V625 HydrophobicContact CG2-CB 4.2Å; V594-V625 HydrophobicContact CG2-CG2 3.63Å; V594-L690 HydrophobicContact CB-CD2 3.9Å; V594-L690 HydrophobicContact CG1-CD2 3.91Å; V594-L690 HydrophobicContact CG2-CD2 3.64Å; V594-I693 HydrophobicContact CG1-CD1 4.48Å
595	L	71	Confident	60.7	Low	12 Å²	12	39.9 Å²	39.9	6%	0.063	27%	0.266	C	S	.	.	H	α-helix	trans	-75.4	-19.1	179.2	-67.9	178.2	0	0	0	113.7	Q410 C411 A414 I591 I599 I693	Q410-L595 HydrophobicContact CB-CD2 3.89Å; C411-L595 HydrophobicContact CB-CD1 4.27Å; C411-L595 VanDerWaalsContact SG-CD1 3.57Å; A414-L595 HydrophobicContact CB-CD1 4.5Å; I591-L595 HydrophobicContact CG2-CD1 3.73Å; I591-L595 HydrophobicContact CG2-CG 4.3Å; I591-L595 WeakPolarHBondContact O-CG 3.48Å; I591-L595 PolarHBondContact O-N 2.93Å; I591-L595 VanDerWaalsContact O-N 3.12Å; L595-I599 WeakPolarHBondContact O-CD1 3.09Å; L595-I693 HydrophobicContact CD2-CD1 3.78Å; L595-I693 HydrophobicContact CD2-CG1 4.48Å; L595-I693 HydrophobicContact CG-CD1 4.31Å
596	I	63.7	Low	60.1	Low	39 Å²	39	43.5 Å²	43.5	20%	0.2	29%	0.286	C	S	.	.	H	α-helix	trans	-104.9	-30	-172.3	-65.8	174.8	0	0	0	112.4	C575 A592 S593 V594 P598 I599 L600	C575-I596 HydrophobicContact CB-CD1 3.55Å; C575-I596 WeakPolarHBondContact SG-CD1 3.39Å; A592-I596 WeakPolarHBondContact O-CB 3.49Å; A592-I596 WeakPolarHBondContact O-CD1 3.37Å; A592-I596 VanDerWaalsContact O-CG1 3.28Å; A592-I596 WeakPolarHBondContact O-CG1 3.3Å; A592-I596 PolarHBondContact O-N 3.41Å; S593-I596 PolarHBondContact O-N 2.89Å; V594-I596 VanDerWaalsContact C-N 3.32Å; I596-P598 VanDerWaalsContact C-CD 3.47Å; I596-I599 WeakPolarHBondContact O-CB 3.36Å; I596-I599 PolarHBondContact O-N 3.41Å; I596-L600 HydrophobicContact CG2-CD1 4.09Å; I596-L600 HydrophobicContact CG2-CG 4.2Å; I596-L600 PolarHBondContact O-N 3Å
597	H	66.3	Low	59.3	Low	1 Å²	1	44 Å²	44	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-54.2	-40.7	-179.2	-172.2	69.1	0	0	0	115.3	P563 L568 E571 S593 I599 L600 T601 S616 A621	P563-H597 WeakPolarHBondContact CB-NE2 3.44Å; P563-H597 WeakPolarHBondContact CG-NE2 3.35Å; L568-H597 HydrophobicContact CD2-CB 3.51Å; L568-H597 WeakPolarHBondContact CD2-ND1 3.49Å; E571-H597 IonicContact OE1-ND1 2.75Å; E571-H597 IonicContact OE2-CE1 2.69Å; E571-H597 IonicContact OE2-CG 3.65Å; E571-H597 IonicContact OE2-ND1 3.01Å; E571-H597 PolarHBondContact OE2-ND1 3.14Å; S593-H597 WeakPolarHBondContact O-CB 3.35Å; S593-H597 PolarHBondContact O-N 3.35Å; S593-H597 VanDerWaalsContact O-N 3.08Å; H597-I599 PolarHBondContact O-N 3.34Å; H597-L600 PolarHBondContact O-N 3.15Å; H597-T601 PolarHBondContact O-N 3.41Å; H597-T601 VanDerWaalsContact O-N 3.09Å; H597-T601 PolarHBondContact O-OG1 3.31Å; H597-S616 PolarHBondContact CD2-OG 2.61Å; H597-S616 PolarHBondContact NE2-OG 3Å; H597-A621 HydrophobicContact CB-CB 4.33Å
598	P	60.2	Low	58.5	Low	30 Å²	30	55.6 Å²	55.6	20%	0.195	33%	0.334	C	S	.	.	H	α-helix	trans	-62.3	-24.6	176.2	-23.5	35.1	0	0	0	114.1	V594 I596 T601 A602 S616 A618	V594-P598 WeakPolarHBondContact O-CD 3.36Å; I596-P598 VanDerWaalsContact C-CD 3.47Å; P598-T601 PolarHBondContact O-OG1 3.48Å; P598-A602 WeakPolarHBondContact O-CB 3.46Å; P598-A602 PolarHBondContact O-N 2.95Å; P598-S616 WeakPolarHBondContact CB-O 3.08Å; P598-A618 HydrophobicContact CG-CB 3.97Å
599	I	59.6	Low	57.3	Low	63 Å²	63	59 Å²	59	32%	0.323	35%	0.354	S	S	.	.	H	α-helix	trans	-81.5	-40.4	179.1	-63.7	135.3	0	0	0	110.3	Q407 L595 I596 H597 T601 A602 S603	Q407-I599 HydrophobicContact CG-CD1 3.95Å; Q407-I599 VanDerWaalsContact NE2-CD1 3.26Å; L595-I599 WeakPolarHBondContact O-CD1 3.09Å; I596-I599 WeakPolarHBondContact O-CB 3.36Å; I596-I599 PolarHBondContact O-N 3.41Å; H597-I599 PolarHBondContact O-N 3.34Å; I599-T601 VanDerWaalsContact C-N 3.31Å; I599-T601 PolarHBondContact O-N 3.42Å; I599-A602 PolarHBondContact O-N 2.9Å; I599-S603 VanDerWaalsContact O-CB 3.3Å; I599-S603 WeakPolarHBondContact O-CB 3.29Å; I599-S603 PolarHBondContact O-N 2.95Å; I599-S603 PolarHBondContact O-OG 2.97Å
600	L	57	Low	56	Low	70 Å²	70	66.5 Å²	66.5	37%	0.366	38%	0.384	S	S	.	.	H	α-helix	trans	-62.8	-39.5	175.7	-66.6	173.5	0	0	0	111	E571 I596 H597 S603	E571-L600 HydrophobicContact CB-CD1 3.91Å; E571-L600 VanDerWaalsContact CD-CD1 3.44Å; E571-L600 HydrophobicContact CG-CD1 3.75Å; I596-L600 HydrophobicContact CG2-CD1 4.09Å; I596-L600 HydrophobicContact CG2-CG 4.2Å; I596-L600 PolarHBondContact O-N 3Å; H597-L600 PolarHBondContact O-N 3.15Å; L600-S603 PolarHBondContact O-OG 3.42Å
601	T	57.9	Low	54.7	Low	27 Å²	27	76.2 Å²	76.2	17%	0.166	42%	0.42	C	S	.	.	H	α-helix	trans	-77.6	-33.6	175.6	60.1	0	0	0	0	113.7	H597 P598 I599 V613 S616	H597-T601 PolarHBondContact O-N 3.41Å; H597-T601 VanDerWaalsContact O-N 3.09Å; H597-T601 PolarHBondContact O-OG1 3.31Å; P598-T601 PolarHBondContact O-OG1 3.48Å; I599-T601 VanDerWaalsContact C-N 3.31Å; I599-T601 PolarHBondContact O-N 3.42Å; T601-V613 HydrophobicContact CG2-CB 4.24Å; T601-V613 HydrophobicContact CG2-CG1 3.6Å; T601-S616 WeakPolarHBondContact CG2-OG 3.42Å; T601-S616 PolarHBondContact OG1-OG 2.9Å
602	A	53.8	Low	53.3	Low	80 Å²	80	86.1 Å²	86.1	66%	0.661	46%	0.463	S	S	*	.	H	α-helix	trans	-71.6	-26.5	175.6	0	0	0	0	0	114.1	P598 I599 G604	P598-A602 WeakPolarHBondContact O-CB 3.46Å; P598-A602 PolarHBondContact O-N 2.95Å; I599-A602 PolarHBondContact O-N 2.9Å; A602-G604 PolarHBondContact O-N 3.45Å
603	S	49.9	Very low	52.3	Low	63 Å²	63	88.5 Å²	88.5	44%	0.441	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-6.8	-176.5	64.2	0	0	0	0	115	I599 L600 L605	I599-S603 VanDerWaalsContact O-CB 3.3Å; I599-S603 WeakPolarHBondContact O-CB 3.29Å; I599-S603 PolarHBondContact O-N 2.95Å; I599-S603 PolarHBondContact O-OG 2.97Å; L600-S603 PolarHBondContact O-OG 3.42Å; S603-L605 PolarHBondContact O-N 2.81Å
604	G	46.1	Very low	51.4	Low	64 Å²	64	92.9 Å²	92.9	66%	0.66	50%	0.503	S	S	*	.			trans	64.4	9.7	173.7	0	0	0	0	0	115.2	A602	A602-G604 PolarHBondContact O-N 3.45Å
605	L	42.3	Very low	50.5	Low	134 Å²	134	98.6 Å²	98.6	70%	0.702	54%	0.54	S	S	*	.			trans	-64.4	124.8	178.4	-80	165	0	0	0	109.7	S603 G607	S603-L605 PolarHBondContact O-N 2.81Å; L605-G607 PolarHBondContact O-N 2.94Å
606	P	39.8	Very low	50.1	Low	120 Å²	120	98.7 Å²	98.7	78%	0.779	54%	0.542	S	S	*	.			trans	-68.5	104.3	175.9	27.5	-32.4	0	0	0	108.9
607	G	42.1	Very low	50.7	Low	53 Å²	53	98.9 Å²	98.9	55%	0.546	55%	0.547	S	S	.	.			trans	-52.2	148.2	163.5	0	0	0	0	0	110.1	L605 D609	L605-G607 PolarHBondContact O-N 2.94Å; G607-D609 PolarHBondContact O-N 3.04Å
608	R	41.8	Very low	51.2	Low	251 Å²	251	99.1 Å²	99.1	95%	0.947	55%	0.549	S	S	*	.	S	Bend	trans	-64.4	-5.8	-170.5	-177.2	167	155.6	163	-6.9	114.7
609	D	37.9	Very low	52.1	Low	140 Å²	140	97.9 Å²	97.9	75%	0.749	54%	0.541	S	S	*	.	S	Bend	trans	-113.2	133.2	169.4	-69.6	-52.8	0	0	0	110.9	G607 R611	G607-D609 PolarHBondContact O-N 3.04Å; D609-R611 VanDerWaalsContact C-N 3.27Å; D609-R611 PolarHBondContact O-N 3.19Å
610	H	37.1	Very low	53.1	Low	198 Å²	198	95.9 Å²	95.9	92%	0.917	53%	0.533	S	S	*	.	S	Bend	trans	-70.2	66.7	-174.8	-73.5	-20.6	0	0	0	114.6
611	R	40.4	Very low	54.3	Low	220 Å²	220	92.5 Å²	92.5	83%	0.83	52%	0.515	S	S	*	.			trans	-131.8	123.6	164.4	-68.8	-174.6	179.1	177.5	0.5	109.9	D609 V613	D609-R611 VanDerWaalsContact C-N 3.27Å; D609-R611 PolarHBondContact O-N 3.19Å; R611-V613 PolarHBondContact O-N 3.45Å
612	F	42.6	Very low	55.4	Low	215 Å²	215	91.2 Å²	91.2	94%	0.943	51%	0.507	S	S	*	.			trans	-59.3	109.5	163.7	-78.6	-89.8	0	0	0	108.1
613	V	48.2	Very low	56.8	Low	76 Å²	76	87.4 Å²	87.4	46%	0.461	48%	0.476	S	S	.	.			trans	-70.9	121.7	167.2	-175.3	0	0	0	0	106.3	T601 R611	T601-V613 HydrophobicContact CG2-CB 4.24Å; T601-V613 HydrophobicContact CG2-CG1 3.6Å; R611-V613 PolarHBondContact O-N 3.45Å
614	P	49.6	Very low	58.4	Low	95 Å²	95	84.7 Å²	84.7	62%	0.617	46%	0.456	S	S	*	.			trans	-61.7	145.5	176	26.5	-33.6	0	0	0	109.5	S616	P614-S616 PolarHBondContact O-N 3.08Å
615	P	52.7	Low	60	Low	120 Å²	120	81.6 Å²	81.6	78%	0.779	43%	0.425	S	S	*	.			trans	-60.2	112.7	179.2	24.8	-33.6	0	0	0	109.9
616	S	62.7	Low	62	Low	14 Å²	14	75.2 Å²	75.2	10%	0.098	39%	0.392	C	S	.	.			trans	-97.6	125.4	-174.1	43.7	0	0	0	0	110.1	H597 P598 T601 P614 S620	H597-S616 PolarHBondContact CD2-OG 2.61Å; H597-S616 PolarHBondContact NE2-OG 3Å; P598-S616 WeakPolarHBondContact CB-O 3.08Å; T601-S616 WeakPolarHBondContact CG2-OG 3.42Å; T601-S616 PolarHBondContact OG1-OG 2.9Å; P614-S616 PolarHBondContact O-N 3.08Å; S616-S620 WeakPolarHBondContact CB-OG 3.5Å
617	S	76.7	Confident	64	Low	43 Å²	43	70.4 Å²	70.4	30%	0.301	36%	0.362	S	S	.	.			trans	-76.3	161.6	174.3	92.8	0	0	0	0	111.1	A619 S620 A621 E697	S617-A619 PolarHBondContact O-N 3.13Å; S617-A619 PolarHBondContact OG-N 2.88Å; S617-S620 PolarHBondContact N-OG 3.46Å; S617-S620 PolarHBondContact O-N 2.73Å; S617-S620 PolarHBondContact O-OG 3.29Å; S617-S620 PolarHBondContact OG-N 3.04Å; S617-A621 PolarHBondContact O-N 3.48Å; S617-E697 WeakPolarHBondContact CB-OE2 3.43Å; S617-E697 PolarHBondContact OG-OE2 3.24Å
618	A	76.1	Confident	65.8	Low	5 Å²	5	69.7 Å²	69.7	4%	0.041	35%	0.349	C	S	.	.	H	α-helix	trans	-62.9	-27.7	178.7	0	0	0	0	0	111.8	P598 A621 A622 I693 E697	P598-A618 HydrophobicContact CG-CB 3.97Å; A618-A621 PolarHBondContact O-N 2.97Å; A618-A622 WeakPolarHBondContact O-CB 3.13Å; A618-A622 PolarHBondContact O-N 3.17Å; A618-I693 HydrophobicContact CB-CG2 4.04Å; A618-E697 WeakPolarHBondContact CB-OE1 3.43Å; A618-E697 PolarHBondContact N-OE2 2.89Å
619	A	79.9	Confident	67.5	Low	4 Å²	4	59.1 Å²	59.1	3%	0.033	31%	0.311	C	S	.	.	H	α-helix	trans	-63.5	-43.6	170.4	0	0	0	0	0	112.6	S617 A621 A622 A623 Y694 E697	S617-A619 PolarHBondContact O-N 3.13Å; S617-A619 PolarHBondContact OG-N 2.88Å; A619-A621 VanDerWaalsContact C-N 3.33Å; A619-A621 PolarHBondContact O-N 3.25Å; A619-A622 PolarHBondContact O-N 2.9Å; A619-A623 WeakPolarHBondContact O-CB 3.43Å; A619-A623 PolarHBondContact O-N 2.9Å; A619-Y694 HydrophobicContact CB-CD2 3.68Å; A619-Y694 HydrophobicContact CB-CE2 4.1Å; A619-E697 HydrophobicContact CB-CB 3.62Å; A619-E697 HydrophobicContact CB-CG 3.84Å; A619-E697 WeakPolarHBondContact CB-OE2 3.33Å; A619-E697 VanDerWaalsContact N-CD 3.28Å; A619-E697 PolarHBondContact N-OE2 3.36Å
620	S	81	Confident	68.9	Low	21 Å²	21	53.5 Å²	53.5	15%	0.147	28%	0.282	C	S	.	.	H	α-helix	trans	-63.8	-40.1	177.4	70	0	0	0	0	111.6	S616 S617 S624	S616-S620 WeakPolarHBondContact CB-OG 3.5Å; S617-S620 PolarHBondContact N-OG 3.46Å; S617-S620 PolarHBondContact O-N 2.73Å; S617-S620 PolarHBondContact O-OG 3.29Å; S617-S620 PolarHBondContact OG-N 3.04Å; S620-S624 PolarHBondContact O-N 3.46Å; S620-S624 VanDerWaalsContact O-N 3.08Å; S620-S624 PolarHBondContact O-OG 3.46Å
621	A	80.8	Confident	69.8	Low	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-67.3	-44.6	173.8	0	0	0	0	0	112	P563 L568 V594 H597 S617 A618 A619 A623 S624 V625	P563-A621 HydrophobicContact CG-CB 4.3Å; L568-A621 HydrophobicContact CD1-CB 4.13Å; L568-A621 HydrophobicContact CD2-CB 3.99Å; V594-A621 HydrophobicContact CB-CB 4.47Å; V594-A621 HydrophobicContact CG1-CB 4.33Å; V594-A621 HydrophobicContact CG2-CB 4.3Å; H597-A621 HydrophobicContact CB-CB 4.33Å; S617-A621 PolarHBondContact O-N 3.48Å; A618-A621 PolarHBondContact O-N 2.97Å; A619-A621 VanDerWaalsContact C-N 3.33Å; A619-A621 PolarHBondContact O-N 3.25Å; A621-A623 VanDerWaalsContact C-N 3.32Å; A621-A623 PolarHBondContact O-N 3.21Å; A621-S624 PolarHBondContact O-N 3.03Å; A621-V625 WeakPolarHBondContact O-CG2 3.38Å; A621-V625 PolarHBondContact O-N 3.1Å; A621-V625 VanDerWaalsContact O-N 3.1Å
622	A	81.9	Confident	70.4	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-59.4	-43.9	175.9	0	0	0	0	0	111	V594 A618 A619 V625 L626 L690	V594-A622 HydrophobicContact CG1-CB 3.78Å; A618-A622 WeakPolarHBondContact O-CB 3.13Å; A618-A622 PolarHBondContact O-N 3.17Å; A619-A622 PolarHBondContact O-N 2.9Å; A622-V625 PolarHBondContact O-N 3.14Å; A622-L626 WeakPolarHBondContact O-CB 3.47Å; A622-L626 VanDerWaalsContact O-CG 3.24Å; A622-L626 WeakPolarHBondContact O-CG 3.42Å; A622-L626 PolarHBondContact O-N 3.42Å; A622-L690 HydrophobicContact CB-CD2 4.4Å
623	A	82.5	Confident	70.5	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60.8	-48.5	177.9	0	0	0	0	0	111.4	V555 D558 A559 A619 A621 V625 L626 A627 Y694	V555-A623 HydrophobicContact CG1-CB 4.41Å; D558-A623 HydrophobicContact CB-CB 4.09Å; A559-A623 HydrophobicContact CB-CB 4.2Å; A619-A623 WeakPolarHBondContact O-CB 3.43Å; A619-A623 PolarHBondContact O-N 2.9Å; A621-A623 VanDerWaalsContact C-N 3.32Å; A621-A623 PolarHBondContact O-N 3.21Å; A623-V625 VanDerWaalsContact C-N 3.26Å; A623-V625 PolarHBondContact O-N 3.49Å; A623-L626 PolarHBondContact O-N 2.87Å; A623-A627 VanDerWaalsContact O-CB 3.29Å; A623-A627 WeakPolarHBondContact O-CB 3.23Å; A623-A627 PolarHBondContact O-N 3.31Å; A623-Y694 HydrophobicContact CB-CD2 4.32Å; A623-Y694 HydrophobicContact CB-CE2 4.2Å
624	S	83.3	Confident	69.5	Low	5 Å²	5	42.5 Å²	42.5	4%	0.035	25%	0.254	C	S	.	.	H	α-helix	trans	-59.1	-33.2	175.1	-67.4	0	0	0	0	113.9	P563 T565 S620 A621 S628	P563-S624 WeakPolarHBondContact O-CB 3.43Å; P563-S624 PolarHBondContact O-OG 3.06Å; T565-S624 PolarHBondContact OG1-O 3.19Å; S620-S624 PolarHBondContact O-N 3.46Å; S620-S624 VanDerWaalsContact O-N 3.08Å; S620-S624 PolarHBondContact O-OG 3.46Å; A621-S624 PolarHBondContact O-N 3.03Å; S624-S628 PolarHBondContact O-N 2.95Å
625	V	81.6	Confident	68.4	Low	0 Å²	0	42 Å²	42	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-76.1	-47.4	174	177.9	0	0	0	0	111.2	T565 L568 L590 V594 A621 A622 A623 A627 S628 L629 L690	T565-V625 HydrophobicContact CG2-CG2 4.17Å; L568-V625 HydrophobicContact CD1-CG2 3.82Å; L590-V625 HydrophobicContact CB-CG1 4.31Å; L590-V625 HydrophobicContact CD2-CG1 3.76Å; V594-V625 HydrophobicContact CG2-CB 4.2Å; V594-V625 HydrophobicContact CG2-CG2 3.63Å; A621-V625 WeakPolarHBondContact O-CG2 3.38Å; A621-V625 PolarHBondContact O-N 3.1Å; A621-V625 VanDerWaalsContact O-N 3.1Å; A622-V625 PolarHBondContact O-N 3.14Å; A623-V625 VanDerWaalsContact C-N 3.26Å; A623-V625 PolarHBondContact O-N 3.49Å; V625-A627 VanDerWaalsContact C-N 3.35Å; V625-A627 PolarHBondContact O-N 2.75Å; V625-S628 WeakPolarHBondContact O-CB 3.17Å; V625-S628 PolarHBondContact O-N 3.23Å; V625-S628 VanDerWaalsContact O-N 3.12Å; V625-S628 PolarHBondContact O-OG 3.31Å; V625-L629 HydrophobicContact CG1-CD1 4.37Å; V625-L629 PolarHBondContact O-N 3.4Å; V625-L629 VanDerWaalsContact O-N 3.08Å; V625-L690 HydrophobicContact CB-CD1 4.13Å; V625-L690 HydrophobicContact CG1-CD1 3.53Å
626	L	83.2	Confident	67	Low	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.1	-39.2	179	-73.9	174.1	0	0	0	113	V555 A622 A623 S628 L629 S630 E687 L690	V555-L626 HydrophobicContact CG1-CB 3.64Å; V555-L626 HydrophobicContact CG1-CD1 4.2Å; V555-L626 HydrophobicContact CG2-CD1 4.32Å; A622-L626 WeakPolarHBondContact O-CB 3.47Å; A622-L626 VanDerWaalsContact O-CG 3.24Å; A622-L626 WeakPolarHBondContact O-CG 3.42Å; A622-L626 PolarHBondContact O-N 3.42Å; A623-L626 PolarHBondContact O-N 2.87Å; L626-S628 VanDerWaalsContact C-N 3.34Å; L626-L629 PolarHBondContact O-N 3.28Å; L626-S630 WeakPolarHBondContact O-CB 3.45Å; L626-S630 PolarHBondContact O-N 3.3Å; L626-S630 PolarHBondContact O-OG 3.18Å; L626-E687 HydrophobicContact CD2-CG 3.75Å; L626-L690 HydrophobicContact CD1-CB 4.12Å; L626-L690 HydrophobicContact CD2-CB 3.7Å; L626-L690 HydrophobicContact CD2-CD1 4.09Å; L626-L690 HydrophobicContact CG-CB 3.85Å; L626-L690 HydrophobicContact CG-CD1 4.34Å
627	A	81.4	Confident	65.3	Low	18 Å²	18	50 Å²	50	15%	0.149	29%	0.294	C	S	.	.	H	α-helix	trans	-62	-42.5	174	0	0	0	0	0	111.1	A559 A623 V625 L629 S630 T631	A559-A627 HydrophobicContact CB-CB 3.57Å; A623-A627 VanDerWaalsContact O-CB 3.29Å; A623-A627 WeakPolarHBondContact O-CB 3.23Å; A623-A627 PolarHBondContact O-N 3.31Å; V625-A627 VanDerWaalsContact C-N 3.35Å; V625-A627 PolarHBondContact O-N 2.75Å; A627-L629 PolarHBondContact O-N 3.12Å; A627-S630 WeakPolarHBondContact O-CB 3.24Å; A627-S630 PolarHBondContact O-N 3.45Å; A627-T631 WeakPolarHBondContact O-CG2 3.32Å; A627-T631 PolarHBondContact O-N 3.4Å
628	S	80.6	Confident	62.8	Low	39 Å²	39	52.2 Å²	52.2	27%	0.273	31%	0.31	S	S	.	.	H	α-helix	trans	-62.6	-43.7	177.1	79.4	0	0	0	0	112.2	S624 V625 L626 S630 T631 S632	S624-S628 PolarHBondContact O-N 2.95Å; V625-S628 WeakPolarHBondContact O-CB 3.17Å; V625-S628 PolarHBondContact O-N 3.23Å; V625-S628 VanDerWaalsContact O-N 3.12Å; V625-S628 PolarHBondContact O-OG 3.31Å; L626-S628 VanDerWaalsContact C-N 3.34Å; S628-S630 VanDerWaalsContact C-N 3.35Å; S628-S630 PolarHBondContact O-N 3.34Å; S628-T631 PolarHBondContact O-N 3.5Å; S628-T631 PolarHBondContact O-OG1 3.33Å; S628-S632 PolarHBondContact O-N 2.93Å
629	L	76.9	Confident	60.8	Low	29 Å²	29	64.2 Å²	64.2	15%	0.152	35%	0.354	C	S	.	.	H	α-helix	trans	-60.6	-45.9	175.1	-65.3	172.3	0	0	0	110.6	L590 V625 L626 A627 T631 S632 E687 L690	L590-L629 HydrophobicContact CD1-CD2 4.32Å; V625-L629 HydrophobicContact CG1-CD1 4.37Å; V625-L629 PolarHBondContact O-N 3.4Å; V625-L629 VanDerWaalsContact O-N 3.08Å; L626-L629 PolarHBondContact O-N 3.28Å; A627-L629 PolarHBondContact O-N 3.12Å; L629-T631 VanDerWaalsContact C-N 3.33Å; L629-T631 PolarHBondContact O-N 3.43Å; L629-S632 PolarHBondContact O-N 2.75Å; L629-S632 VanDerWaalsContact O-N 3.14Å; L629-S632 PolarHBondContact O-OG 2.84Å; L629-E687 HydrophobicContact CD1-CB 4.46Å; L629-L690 HydrophobicContact CD1-CD1 4.33Å
630	S	68.5	Low	58.2	Low	21 Å²	21	69.5 Å²	69.5	15%	0.147	39%	0.391	C	S	.	.	H	α-helix	trans	-58.3	-40.9	178.1	-61.3	0	0	0	0	112.9	L626 A627 S628 S632 H633	L626-S630 WeakPolarHBondContact O-CB 3.45Å; L626-S630 PolarHBondContact O-N 3.3Å; L626-S630 PolarHBondContact O-OG 3.18Å; A627-S630 WeakPolarHBondContact O-CB 3.24Å; A627-S630 PolarHBondContact O-N 3.45Å; S628-S630 VanDerWaalsContact C-N 3.35Å; S628-S630 PolarHBondContact O-N 3.34Å; S630-S632 VanDerWaalsContact C-N 3.32Å; S630-S632 PolarHBondContact O-N 3.4Å; S630-H633 PolarHBondContact O-N 2.77Å
631	T	56.3	Low	55.5	Low	106 Å²	106	78.7 Å²	78.7	65%	0.65	42%	0.422	S	S	*	.	H	α-helix	trans	-66.3	-30	178.3	59.3	0	0	0	0	113.7	A627 S628 L629 H633 H634	A627-T631 WeakPolarHBondContact O-CG2 3.32Å; A627-T631 PolarHBondContact O-N 3.4Å; S628-T631 PolarHBondContact O-N 3.5Å; S628-T631 PolarHBondContact O-OG1 3.33Å; L629-T631 VanDerWaalsContact C-N 3.33Å; L629-T631 PolarHBondContact O-N 3.43Å; T631-H633 VanDerWaalsContact C-N 3.29Å; T631-H633 PolarHBondContact O-N 2.03Å; T631-H634 PolarHBondContact O-N 2.98Å
632	S	52.5	Low	52.9	Low	79 Å²	79	84.4 Å²	84.4	55%	0.552	46%	0.459	S	S	*	.	H	α-helix	trans	-68.3	-25.9	178.2	73.3	0	0	0	0	113.8	S628 L629 S630	S628-S632 PolarHBondContact O-N 2.93Å; L629-S632 PolarHBondContact O-N 2.75Å; L629-S632 VanDerWaalsContact O-N 3.14Å; L629-S632 PolarHBondContact O-OG 2.84Å; S630-S632 VanDerWaalsContact C-N 3.32Å; S630-S632 PolarHBondContact O-N 3.4Å
633	H	43.2	Very low	50.2	Low	134 Å²	134	92.5 Å²	92.5	62%	0.62	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-14.7	-178.7	-85	-70.5	0	0	0	114.4	S630 T631	S630-H633 PolarHBondContact O-N 2.77Å; T631-H633 VanDerWaalsContact C-N 3.29Å; T631-H633 PolarHBondContact O-N 2.03Å
634	H	29.1	Very low	47.6	Very low	160 Å²	160	97.7 Å²	97.7	74%	0.741	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	4.1	-175.7	-81.6	-69.2	0	0	0	115.2	T631 H636	T631-H634 PolarHBondContact O-N 2.98Å; H634-H636 PolarHBondContact O-N 3.03Å
635	A	25.3	Very low	45	Very low	83 Å²	83	105.6 Å²	105.6	69%	0.686	57%	0.569	S	S	*	*			trans	-73	107.3	175.6	0	0	0	0	0	111.7
636	H	24.4	Very low	42.3	Very low	166 Å²	166	112 Å²	112	77%	0.769	60%	0.603	S	S	*	*			trans	-54	151.3	170.6	-82.5	-79.4	0	0	0	112.1	H634 S638	H634-H636 PolarHBondContact O-N 3.03Å; H636-S638 PolarHBondContact O-N 3.34Å
637	P	26.7	Very low	39.6	Very low	136 Å²	136	118 Å²	118	88%	0.883	64%	0.642	S	S	*	*	S	Bend	trans	-77.5	60.8	-177.8	34	-37.3	0	0	0	112.7
638	S	24.6	Very low	36.9	Very low	91 Å²	91	122.4 Å²	122.4	64%	0.636	67%	0.671	S	S	*	*			trans	-104.7	82.3	171.3	58.3	0	0	0	0	111.3	H636 S640	H636-S638 PolarHBondContact O-N 3.34Å; S638-S640 PolarHBondContact O-N 2.98Å
639	R	32.9	Very low	34.4	Very low	257 Å²	257	125.4 Å²	125.4	97%	0.97	69%	0.693	S	S	*	*			trans	34.7	71.2	151.7	-160.8	-178.8	-168.9	169.4	3.2	116.6
640	S	25	Very low	32	Very low	114 Å²	114	130.3 Å²	130.3	80%	0.797	72%	0.723	S	S	*	*			trans	-131.2	149.7	167.1	51.7	0	0	0	0	111.4	S638	S638-S640 PolarHBondContact O-N 2.98Å
641	R	24.9	Very low	30	Very low	215 Å²	215	139.1 Å²	139.1	81%	0.811	76%	0.755	S	S	*	*			trans	-71	147.7	-171.4	-69	169.9	170.7	161.4	-5.5	111.3	H643	R641-H643 PolarHBondContact O-N 2.72Å
642	P	26.5	Very low	28.7	Very low	119 Å²	119	139.5 Å²	139.5	77%	0.773	76%	0.759	S	S	*	*			trans	-72.4	93.7	173.9	30.8	-33.9	0	0	0	110.4	V644	P642-V644 VanDerWaalsContact C-N 3.27Å; P642-V644 PolarHBondContact O-N 3.22Å
643	H	24.3	Very low	27.3	Very low	170 Å²	170	144.7 Å²	144.7	79%	0.787	78%	0.775	S	S	*	*			trans	-75.3	85.9	162	-85.3	-75.1	0	0	0	109.1	R641 L645	R641-H643 PolarHBondContact O-N 2.72Å; H643-L645 PolarHBondContact O-N 3.45Å; H643-L645 VanDerWaalsContact O-N 3.17Å
644	V	27.6	Very low	26.5	Very low	109 Å²	109	145.2 Å²	145.2	66%	0.661	79%	0.788	S	S	*	*			trans	-66.5	108.4	165.3	177.4	0	0	0	0	107.7	P642 L646	P642-V644 VanDerWaalsContact C-N 3.27Å; P642-V644 PolarHBondContact O-N 3.22Å; V644-L646 VanDerWaalsContact C-N 3.26Å; V644-L646 HydrophobicContact CG1-CD1 3.8Å; V644-L646 HydrophobicContact CG1-CG 3.82Å; V644-L646 PolarHBondContact O-N 3.14Å
645	L	28.8	Very low	26.4	Very low	172 Å²	172	143.5 Å²	143.5	90%	0.901	79%	0.788	S	S	*	*			trans	-74.4	80.4	170.6	-77.9	165.3	0	0	0	109.7	H643	H643-L645 PolarHBondContact O-N 3.45Å; H643-L645 VanDerWaalsContact O-N 3.17Å
646	L	25.5	Very low	26.5	Very low	134 Å²	134	147.3 Å²	147.3	70%	0.702	79%	0.794	S	S	*	*			trans	-93.3	134.2	160.7	-83.8	161	0	0	0	108.7	V644 S648	V644-L646 VanDerWaalsContact C-N 3.26Å; V644-L646 HydrophobicContact CG1-CD1 3.8Å; V644-L646 HydrophobicContact CG1-CG 3.82Å; V644-L646 PolarHBondContact O-N 3.14Å; L646-S648 PolarHBondContact O-N 2.86Å
647	P	26.7	Very low	26.6	Very low	126 Å²	126	149.6 Å²	149.6	82%	0.818	80%	0.797	S	S	*	*			trans	-65.6	106.3	169.8	-17.4	30.9	0	0	0	109.8	S649	P647-S649 PolarHBondContact O-N 3.17Å
648	S	24.3	Very low	26.5	Very low	110 Å²	110	153.7 Å²	153.7	77%	0.769	80%	0.795	S	S	*	*			trans	-74.7	103.1	171.7	-63.8	0	0	0	0	109.3	L646 V650	L646-S648 PolarHBondContact O-N 2.86Å; S648-V650 PolarHBondContact O-N 3.4Å; S648-V650 VanDerWaalsContact O-N 3.12Å
649	S	28	Very low	26.5	Very low	103 Å²	103	153.7 Å²	153.7	72%	0.72	80%	0.795	S	S	*	*			trans	-67.7	107.4	173.2	58.1	0	0	0	0	110.2	P647 Y651	P647-S649 PolarHBondContact O-N 3.17Å; S649-Y651 PolarHBondContact O-N 3.45Å
650	V	26.7	Very low	26.1	Very low	132 Å²	132	148.2 Å²	148.2	80%	0.8	79%	0.785	S	S	*	*			trans	-79.2	111.9	169.6	178.5	0	0	0	0	108.6	S648	S648-V650 PolarHBondContact O-N 3.4Å; S648-V650 VanDerWaalsContact O-N 3.12Å
651	Y	26.7	Very low	26.1	Very low	206 Å²	206	153.8 Å²	153.8	81%	0.808	79%	0.789	S	S	*	*			trans	-129.6	137.9	159.9	-85.5	-78.4	0	0	0	108.7	S649	S649-Y651 PolarHBondContact O-N 3.45Å
652	P	28.8	Very low	26.2	Very low	114 Å²	114	149.7 Å²	149.7	74%	0.74	79%	0.788	S	S	*	*			trans	-74.3	164.8	177.8	32.4	-35	0	0	0	111.7
653	E	24.3	Very low	26.3	Very low	188 Å²	188	150.4 Å²	150.4	88%	0.879	79%	0.79	S	S	*	*			trans	-59.2	142.7	-169.1	-60.5	166.1	117.2	0	0	114.4
654	T	25.8	Very low	26.5	Very low	145 Å²	145	149.9 Å²	149.9	89%	0.89	79%	0.791	S	S	*	*			trans	-150.2	139	138	-9	0	0	0	0	111
655	T	26.9	Very low	26.6	Very low	123 Å²	123	152.6 Å²	152.6	76%	0.755	80%	0.802	S	S	*	*			trans	-74.2	134.8	-168.4	49.1	0	0	0	0	114.3
656	M	26.5	Very low	26.6	Very low	164 Å²	164	150 Å²	150	81%	0.808	80%	0.798	S	S	*	*				167.9	155.7	107.1	-92.3	-152.5	177.7	0	0	114.6
657	Y	26.6	Very low	26.7	Very low	213 Å²	213	149.6 Å²	149.6	84%	0.835	79%	0.794	S	S	*	*			trans	72.3	99.9	163.6	-94.9	-91.4	0	0	0	121.4
658	R	24.2	Very low	27.2	Very low	222 Å²	222	145.7 Å²	145.7	84%	0.838	77%	0.77	S	S	*	*				-7.9	144.2	122.5	-108.2	-179	-175.1	149.7	2	115.1
659	S	24.8	Very low	28	Very low	92 Å²	92	146.6 Å²	146.6	64%	0.643	77%	0.766	S	S	*	*			cis	-153.2	-176.1	11.4	-46.8	0	0	0	0	109.4
660	D	25.4	Very low	28.6	Very low	142 Å²	142	144.7 Å²	144.7	76%	0.759	75%	0.753	S	S	*	*			cis	-146.6	173.7	-2.3	-143.8	-62.8	0	0	0	110
661	R	24.8	Very low	29.3	Very low	231 Å²	231	141.8 Å²	141.8	87%	0.872	73%	0.733	S	S	*	*			trans	-159.3	87.3	-173.3	-166.2	177.1	-179.8	174.6	0.4	114.6
662	T	27.9	Very low	30.2	Very low	128 Å²	128	134.5 Å²	134.5	79%	0.785	71%	0.712	S	S	*	*			trans	-141.4	158.4	160.2	49.7	0	0	0	0	111.7
663	V	28.5	Very low	31.2	Very low	135 Å²	135	136.9 Å²	136.9	82%	0.818	71%	0.706	S	S	*	*			trans	73.5	64.6	176	-157.1	0	0	0	0	117.2
664	I	28.2	Very low	32.5	Very low	158 Å²	158	130.1 Å²	130.1	81%	0.81	68%	0.676	S	S	*	*			trans	-137.6	92.9	137.3	-52.1	178.4	0	0	0	107.8
665	N	28.6	Very low	33.7	Very low	167 Å²	167	131.6 Å²	131.6	89%	0.893	67%	0.665	S	S	*	*			trans	-152.6	65.6	170.2	-132	11.4	0	0	0	111.8
666	S	28.7	Very low	35.1	Very low	116 Å²	116	127.8 Å²	127.8	81%	0.811	64%	0.644	S	S	*	*			trans	-156.5	57.6	172.5	62.1	0	0	0	0	110.6
667	M	28.5	Very low	36.7	Very low	126 Å²	126	122.5 Å²	122.5	62%	0.621	62%	0.619	S	S	*	*			trans	-78.4	130.4	172.2	-72	-166.2	72.3	0	0	110.2	D671	M667-D671 HydrophobicContact CE-CB 3.87Å
668	S	36.9	Very low	38.3	Very low	45 Å²	45	114.5 Å²	114.5	32%	0.315	60%	0.597	S	S	.	*			trans	-76.3	157	175.9	77.1	0	0	0	0	111	S670 D671	S668-S670 PolarHBondContact O-N 2.97Å; S668-S670 VanDerWaalsContact O-N 3.12Å; S668-S670 PolarHBondContact OG-N 3.49Å; S668-S670 PolarHBondContact OG-OG 3.2Å; S668-D671 WeakPolarHBondContact CB-OD2 3.23Å; S668-D671 PolarHBondContact N-OD2 2.84Å; S668-D671 VanDerWaalsContact N-OD2 3.1Å; S668-D671 PolarHBondContact O-N 3.05Å; S668-D671 PolarHBondContact OG-N 2.97Å; S668-D671 PolarHBondContact OG-OD2 3.39Å
669	N	42	Very low	40.4	Very low	128 Å²	128	107.5 Å²	107.5	68%	0.684	58%	0.575	S	S	*	*	H	α-helix	trans	-69.4	-6.3	176.7	-131.9	-3.8	0	0	0	113.1	S672 R673	N669-S672 PolarHBondContact O-OG 2.87Å; N669-R673 WeakPolarHBondContact O-CD 3.47Å; N669-R673 WeakPolarHBondContact O-CG 3.46Å
670	S	39.8	Very low	42.5	Very low	63 Å²	63	108.6 Å²	108.6	44%	0.441	57%	0.57	S	S	.	*	H	α-helix	trans	-82	-45.6	169.5	17.5	0	0	0	0	111.7	S668 S672 R673 I674	S668-S670 PolarHBondContact O-N 2.97Å; S668-S670 VanDerWaalsContact O-N 3.12Å; S668-S670 PolarHBondContact OG-N 3.49Å; S668-S670 PolarHBondContact OG-OG 3.2Å; S670-S672 VanDerWaalsContact C-N 3.28Å; S670-S672 PolarHBondContact O-N 3.41Å; S670-R673 PolarHBondContact O-N 3.45Å; S670-R673 VanDerWaalsContact O-N 3.11Å; S670-I674 WeakPolarHBondContact O-CD1 3.33Å; S670-I674 VanDerWaalsContact O-CG1 3.28Å; S670-I674 WeakPolarHBondContact O-CG1 3.23Å; S670-I674 PolarHBondContact O-N 3.06Å
671	D	40.8	Very low	44.8	Very low	71 Å²	71	104 Å²	104	38%	0.38	55%	0.549	S	S	.	.	H	α-helix	trans	-62.9	-36.1	-175.6	-55.5	-48.6	0	0	0	112.2	M667 S668 R675	M667-D671 HydrophobicContact CE-CB 3.87Å; S668-D671 WeakPolarHBondContact CB-OD2 3.23Å; S668-D671 PolarHBondContact N-OD2 2.84Å; S668-D671 VanDerWaalsContact N-OD2 3.1Å; S668-D671 PolarHBondContact O-N 3.05Å; S668-D671 PolarHBondContact OG-N 2.97Å; S668-D671 PolarHBondContact OG-OD2 3.39Å; D671-R675 WeakPolarHBondContact O-CB 3.38Å; D671-R675 PolarHBondContact O-N 3.46Å; D671-R675 VanDerWaalsContact O-N 3.08Å
672	S	46.8	Very low	47.3	Very low	54 Å²	54	96.7 Å²	96.7	38%	0.378	52%	0.524	S	S	.	.	H	α-helix	trans	-64.3	-41.5	175.2	57	0	0	0	0	112.6	N669 S670 S676	N669-S672 PolarHBondContact O-OG 2.87Å; S670-S672 VanDerWaalsContact C-N 3.28Å; S670-S672 PolarHBondContact O-N 3.41Å; S672-S676 PolarHBondContact O-N 2.95Å; S672-S676 PolarHBondContact O-OG 3.09Å
673	R	50.3	Low	49.9	Very low	163 Å²	163	94.6 Å²	94.6	62%	0.615	51%	0.505	S	S	*	.	H	α-helix	trans	-72	-38.7	179	-69.8	179.1	178.3	-164	-1.4	112.9	N669 S670 R675 S676 N677	N669-R673 WeakPolarHBondContact O-CD 3.47Å; N669-R673 WeakPolarHBondContact O-CG 3.46Å; S670-R673 PolarHBondContact O-N 3.45Å; S670-R673 VanDerWaalsContact O-N 3.11Å; R673-R675 VanDerWaalsContact C-N 3.35Å; R673-S676 WeakPolarHBondContact CA-OG 3.41Å; R673-S676 PolarHBondContact O-N 3.43Å; R673-S676 PolarHBondContact O-OG 3.24Å; R673-N677 WeakPolarHBondContact O-CB 3.12Å; R673-N677 VanDerWaalsContact O-CG 3.24Å; R673-N677 PolarHBondContact O-N 2.8Å
674	I	50.1	Low	52.5	Low	47 Å²	47	89.1 Å²	89.1	24%	0.241	47%	0.474	C	S	.	.	H	α-helix	trans	-63.7	-45.5	176.1	-64.8	161.8	0	0	0	109.4	N148 S670 S676 N677 A678	N148-I674 HydrophobicContact CB-CD1 3.81Å; N148-I674 WeakPolarHBondContact O-CD1 3.36Å; N148-I674 WeakPolarHBondContact O-CG1 3.49Å; S670-I674 WeakPolarHBondContact O-CD1 3.33Å; S670-I674 VanDerWaalsContact O-CG1 3.28Å; S670-I674 WeakPolarHBondContact O-CG1 3.23Å; S670-I674 PolarHBondContact O-N 3.06Å; I674-S676 PolarHBondContact O-N 2.72Å; I674-N677 PolarHBondContact O-N 3.43Å; I674-A678 WeakPolarHBondContact O-CB 3.43Å; I674-A678 PolarHBondContact O-N 3.45Å
675	R	51.4	Low	55.2	Low	175 Å²	175	82.4 Å²	82.4	66%	0.66	44%	0.441	S	S	*	.	H	α-helix	trans	-64	-39.8	177.7	-163.3	173.6	-174.8	178.4	1.7	112.2	D671 R673 L679	D671-R675 WeakPolarHBondContact O-CB 3.38Å; D671-R675 PolarHBondContact O-N 3.46Å; D671-R675 VanDerWaalsContact O-N 3.08Å; R673-R675 VanDerWaalsContact C-N 3.35Å; R675-L679 HydrophobicContact CG-CD1 4.29Å; R675-L679 WeakPolarHBondContact O-CB 3.38Å; R675-L679 WeakPolarHBondContact O-CD1 3.32Å; R675-L679 WeakPolarHBondContact O-CG 3.22Å; R675-L679 PolarHBondContact O-N 2.57Å; R675-L679 VanDerWaalsContact O-N 3.11Å
676	S	56	Low	57.9	Low	44 Å²	44	74.7 Å²	74.7	31%	0.308	40%	0.4	S	S	.	.	H	α-helix	trans	-65.3	-42.7	174.1	59.5	0	0	0	0	112.4	S672 R673 I674 L679 H680	S672-S676 PolarHBondContact O-N 2.95Å; S672-S676 PolarHBondContact O-OG 3.09Å; R673-S676 WeakPolarHBondContact CA-OG 3.41Å; R673-S676 PolarHBondContact O-N 3.43Å; R673-S676 PolarHBondContact O-OG 3.24Å; I674-S676 PolarHBondContact O-N 2.72Å; S676-L679 PolarHBondContact O-N 3.04Å; S676-H680 PolarHBondContact O-CD2 2.95Å; S676-H680 PolarHBondContact O-N 3.11Å
677	N	59.7	Low	60.7	Low	53 Å²	53	70.2 Å²	70.2	28%	0.283	37%	0.366	S	S	.	.	H	α-helix	trans	-69.9	-36.6	-178.4	-70.5	-4.9	0	0	0	112.6	T150 E153 R673 I674 S681	T150-N677 HydrophobicContact CG2-CB 4.36Å; E153-N677 PolarHBondContact OE1-ND2 3.03Å; R673-N677 WeakPolarHBondContact O-CB 3.12Å; R673-N677 VanDerWaalsContact O-CG 3.24Å; R673-N677 PolarHBondContact O-N 2.8Å; I674-N677 PolarHBondContact O-N 3.43Å; N677-S681 PolarHBondContact O-N 3.03Å
678	A	61.3	Low	63.8	Low	45 Å²	45	64.3 Å²	64.3	37%	0.372	34%	0.337	S	S	.	.	H	α-helix	trans	-60.9	-50.2	171.1	0	0	0	0	0	111	I674 H680 S681 E682	I674-A678 WeakPolarHBondContact O-CB 3.43Å; I674-A678 PolarHBondContact O-N 3.45Å; A678-H680 PolarHBondContact O-N 2.85Å; A678-S681 WeakPolarHBondContact O-CB 3.34Å; A678-S681 PolarHBondContact O-N 3.29Å; A678-S681 VanDerWaalsContact O-N 3.09Å; A678-E682 PolarHBondContact O-N 3.22Å
679	L	66.8	Low	66.3	Low	74 Å²	74	62.3 Å²	62.3	39%	0.387	32%	0.323	S	S	.	.	H	α-helix	trans	-59.4	-45.1	176.5	-71.7	168	0	0	0	112.1	R675 S676 S681 E682 F683	R675-L679 HydrophobicContact CG-CD1 4.29Å; R675-L679 WeakPolarHBondContact O-CB 3.38Å; R675-L679 WeakPolarHBondContact O-CD1 3.32Å; R675-L679 WeakPolarHBondContact O-CG 3.22Å; R675-L679 PolarHBondContact O-N 2.57Å; R675-L679 VanDerWaalsContact O-N 3.11Å; S676-L679 PolarHBondContact O-N 3.04Å; L679-S681 VanDerWaalsContact C-N 3.28Å; L679-S681 PolarHBondContact O-N 3.1Å; L679-E682 WeakPolarHBondContact O-CB 3.45Å; L679-E682 PolarHBondContact O-N 3.14Å; L679-E682 VanDerWaalsContact O-N 3.08Å; L679-F683 VanDerWaalsContact O-CD2 3.24Å; L679-F683 WeakPolarHBondContact O-CD2 3.44Å; L679-F683 PolarHBondContact O-N 3.12Å
680	H	70.6	Confident	68.5	Low	115 Å²	115	56.2 Å²	56.2	53%	0.532	29%	0.29	S	S	.	.	H	α-helix	trans	-58.4	-39	174.4	-78.3	-60.9	0	0	0	112.4	S676 A678 E682 A684	S676-H680 PolarHBondContact O-CD2 2.95Å; S676-H680 PolarHBondContact O-N 3.11Å; A678-H680 PolarHBondContact O-N 2.85Å; H680-E682 VanDerWaalsContact C-N 3.34Å; H680-A684 VanDerWaalsContact O-CB 3.31Å; H680-A684 WeakPolarHBondContact O-CB 3.47Å; H680-A684 PolarHBondContact O-N 2.88Å
681	S	74.1	Confident	70.9	Confident	45 Å²	45	53.4 Å²	53.4	32%	0.315	27%	0.27	S	S	.	.	H	α-helix	trans	-70.6	-26.9	175.6	-174.8	0	0	0	0	113.6	K534 N677 A678 L679 S685	K534-S681 PolarHBondContact NZ-OG 3.16Å; N677-S681 PolarHBondContact O-N 3.03Å; A678-S681 WeakPolarHBondContact O-CB 3.34Å; A678-S681 PolarHBondContact O-N 3.29Å; A678-S681 VanDerWaalsContact O-N 3.09Å; L679-S681 VanDerWaalsContact C-N 3.28Å; L679-S681 PolarHBondContact O-N 3.1Å; S681-S685 WeakPolarHBondContact O-CB 3.42Å; S681-S685 PolarHBondContact O-N 2.86Å
682	E	76.9	Confident	73.3	Confident	78 Å²	78	50 Å²	50	36%	0.364	25%	0.252	S	S	.	.	H	α-helix	trans	-73.2	-49.4	172.3	-72.3	176.2	177.7	0	0	110.5	A587 A678 L679 H680 S685 A686	A587-E682 HydrophobicContact CB-CB 4.29Å; A678-E682 PolarHBondContact O-N 3.22Å; L679-E682 WeakPolarHBondContact O-CB 3.45Å; L679-E682 PolarHBondContact O-N 3.14Å; L679-E682 VanDerWaalsContact O-N 3.08Å; H680-E682 VanDerWaalsContact C-N 3.34Å; E682-S685 WeakPolarHBondContact O-CB 3.31Å; E682-S685 PolarHBondContact O-N 3.08Å; E682-S685 VanDerWaalsContact O-N 3.12Å; E682-A686 PolarHBondContact O-N 3.18Å
683	F	81.4	Confident	75.3	Confident	85 Å²	85	47.8 Å²	47.8	37%	0.373	24%	0.236	S	C	.	.	H	α-helix	trans	-59.5	-48.8	176.9	-81	-70.1	0	0	0	112.7	L590 L679 S685 A686 E687	L590-F683 HydrophobicContact CD1-CD1 4.26Å; L590-F683 HydrophobicContact CD1-CE1 4.04Å; L679-F683 VanDerWaalsContact O-CD2 3.24Å; L679-F683 WeakPolarHBondContact O-CD2 3.44Å; L679-F683 PolarHBondContact O-N 3.12Å; F683-S685 PolarHBondContact O-N 2.93Å; F683-S685 VanDerWaalsContact O-N 3.14Å; F683-A686 PolarHBondContact O-N 3.41Å; F683-A686 VanDerWaalsContact O-N 3.07Å; F683-E687 WeakPolarHBondContact O-CB 3.34Å; F683-E687 PolarHBondContact O-N 3.43Å
684	A	84	Confident	77.2	Confident	20 Å²	20	40 Å²	40	17%	0.165	21%	0.207	C	C	.	.	H	α-helix	trans	-59.4	-27.8	177	0	0	0	0	0	112.7	H680 M688	H680-A684 VanDerWaalsContact O-CB 3.31Å; H680-A684 WeakPolarHBondContact O-CB 3.47Å; H680-A684 PolarHBondContact O-N 2.88Å; A684-M688 WeakPolarHBondContact O-CB 3.21Å; A684-M688 PolarHBondContact O-N 3.35Å; A684-M688 VanDerWaalsContact O-N 3.1Å
685	S	84.6	Confident	79.1	Confident	17 Å²	17	38.1 Å²	38.1	12%	0.119	20%	0.197	C	C	.	.	H	α-helix	trans	-81.3	-33.9	175.9	-171.1	0	0	0	0	113.4	R327 S681 E682 F683 M688 S689	R327-S685 PolarHBondContact NH1-OG 3.42Å; R327-S685 PolarHBondContact NH2-OG 3.12Å; S681-S685 WeakPolarHBondContact O-CB 3.42Å; S681-S685 PolarHBondContact O-N 2.86Å; E682-S685 WeakPolarHBondContact O-CB 3.31Å; E682-S685 PolarHBondContact O-N 3.08Å; E682-S685 VanDerWaalsContact O-N 3.12Å; F683-S685 PolarHBondContact O-N 2.93Å; F683-S685 VanDerWaalsContact O-N 3.14Å; S685-M688 PolarHBondContact O-N 3.45Å; S685-S689 PolarHBondContact O-N 3.15Å; S685-S689 PolarHBondContact O-OG 3.26Å
686	A	84.8	Confident	80.8	Confident	4 Å²	4	30.3 Å²	30.3	3%	0.033	17%	0.168	C	C	.	.	H	α-helix	trans	-70.2	-40	172.1	0	0	0	0	0	110.7	A587 I591 E682 F683 M688 S689 L690	A587-A686 HydrophobicContact CB-CB 3.96Å; I591-A686 HydrophobicContact CD1-CB 4.23Å; I591-A686 HydrophobicContact CG1-CB 4.34Å; E682-A686 PolarHBondContact O-N 3.18Å; F683-A686 PolarHBondContact O-N 3.41Å; F683-A686 VanDerWaalsContact O-N 3.07Å; A686-M688 VanDerWaalsContact C-N 3.31Å; A686-M688 PolarHBondContact O-N 2.87Å; A686-S689 WeakPolarHBondContact O-CB 3.37Å; A686-S689 PolarHBondContact O-N 2.8Å; A686-S689 VanDerWaalsContact O-N 3.07Å; A686-L690 WeakPolarHBondContact O-CG 3.34Å; A686-L690 PolarHBondContact O-N 3.35Å
687	E	88.8	Confident	82.3	Confident	22 Å²	22	29 Å²	29	10%	0.103	16%	0.157	C	C	.	.	H	α-helix	trans	-56.9	-43.8	170.4	-173.3	178.6	179	0	0	111.4	L533 L626 L629 F683 L690 H691	L533-E687 HydrophobicContact CD1-CB 4.38Å; L533-E687 HydrophobicContact CD1-CG 4.04Å; L533-E687 VanDerWaalsContact CD2-CD 3.42Å; L533-E687 HydrophobicContact CD2-CG 4.08Å; L533-E687 WeakPolarHBondContact CD2-OE1 3.38Å; L626-E687 HydrophobicContact CD2-CG 3.75Å; L629-E687 HydrophobicContact CD1-CB 4.46Å; F683-E687 WeakPolarHBondContact O-CB 3.34Å; F683-E687 PolarHBondContact O-N 3.43Å; E687-L690 PolarHBondContact O-N 2.88Å; E687-H691 PolarHBondContact O-N 3.09Å; E687-H691 PolarHBondContact O-ND1 3.02Å; E687-H691 IonicContact OE1-CE1 3.16Å
688	M	91.8	Very high	83.5	Confident	3 Å²	3	27.7 Å²	27.7	2%	0.015	15%	0.15	C	C	.	.	H	α-helix	trans	-65.5	-37	173.7	-174.4	61.6	-156.3	0	0	112.8	H417 L526 M529 H530 L533 A684 S685 A686 L690 H691 A692	H417-M688 WeakPolarHBondContact CE1-CG 3.26Å; L526-M688 HydrophobicContact CB-CE 4.29Å; L526-M688 HydrophobicContact CD2-CE 3.85Å; L526-M688 WeakPolarHBondContact O-CE 3.36Å; M529-M688 HydrophobicContact CB-CE 4.26Å; M529-M688 HydrophobicContact CB-SD 3.95Å; M529-M688 HydrophobicContact CG-CE 4.44Å; M529-M688 HydrophobicContact CG-SD 3.65Å; H530-M688 VanDerWaalsContact CA-SD 3.58Å; H530-M688 HydrophobicContact CB-CE 4.09Å; H530-M688 HydrophobicContact CB-CG 4.32Å; H530-M688 HydrophobicContact CB-SD 3.93Å; H530-M688 PolarHBondContact N-SD 2.92Å; H530-M688 VanDerWaalsContact N-SD 3.41Å; L533-M688 HydrophobicContact CD1-CB 3.8Å; L533-M688 HydrophobicContact CD1-CG 4.47Å; L533-M688 HydrophobicContact CD1-SD 3.99Å; A684-M688 WeakPolarHBondContact O-CB 3.21Å; A684-M688 PolarHBondContact O-N 3.35Å; A684-M688 VanDerWaalsContact O-N 3.1Å; S685-M688 PolarHBondContact O-N 3.45Å; A686-M688 VanDerWaalsContact C-N 3.31Å; A686-M688 PolarHBondContact O-N 2.87Å; M688-L690 VanDerWaalsContact C-N 3.33Å; M688-L690 PolarHBondContact O-N 3.15Å; M688-H691 PolarHBondContact O-N 3.19Å; M688-A692 WeakPolarHBondContact O-CB 3.47Å; M688-A692 PolarHBondContact O-N 2.93Å
689	S	89.8	Confident	84.6	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.014	14%	0.135	C	C	.	.	H	α-helix	trans	-63	-41.6	176.9	-54.9	0	0	0	0	111.1	A414 S685 A686 A692 I693	A414-S689 VanDerWaalsContact O-CA 3.3Å; A414-S689 WeakPolarHBondContact O-CA 3.42Å; A414-S689 WeakPolarHBondContact O-CB 3.48Å; A414-S689 PolarHBondContact O-OG 2.8Å; A414-S689 VanDerWaalsContact O-OG 3.05Å; S685-S689 PolarHBondContact O-N 3.15Å; S685-S689 PolarHBondContact O-OG 3.26Å; A686-S689 WeakPolarHBondContact O-CB 3.37Å; A686-S689 PolarHBondContact O-N 2.8Å; A686-S689 VanDerWaalsContact O-N 3.07Å; S689-A692 PolarHBondContact O-N 3.2Å; S689-I693 WeakPolarHBondContact O-CG1 3.38Å; S689-I693 PolarHBondContact O-N 3.48Å; S689-I693 VanDerWaalsContact O-N 3.08Å
690	L	89.2	Confident	85.1	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-67.9	-42.9	175.6	-67	173	0	0	0	112.3	V594 A622 V625 L626 L629 A686 E687 M688 A692 I693 Y694	V594-L690 HydrophobicContact CB-CD2 3.9Å; V594-L690 HydrophobicContact CG1-CD2 3.91Å; V594-L690 HydrophobicContact CG2-CD2 3.64Å; A622-L690 HydrophobicContact CB-CD2 4.4Å; V625-L690 HydrophobicContact CB-CD1 4.13Å; V625-L690 HydrophobicContact CG1-CD1 3.53Å; L626-L690 HydrophobicContact CD1-CB 4.12Å; L626-L690 HydrophobicContact CD2-CB 3.7Å; L626-L690 HydrophobicContact CD2-CD1 4.09Å; L626-L690 HydrophobicContact CG-CB 3.85Å; L626-L690 HydrophobicContact CG-CD1 4.34Å; L629-L690 HydrophobicContact CD1-CD1 4.33Å; A686-L690 WeakPolarHBondContact O-CG 3.34Å; A686-L690 PolarHBondContact O-N 3.35Å; E687-L690 PolarHBondContact O-N 2.88Å; M688-L690 VanDerWaalsContact C-N 3.33Å; M688-L690 PolarHBondContact O-N 3.15Å; L690-A692 VanDerWaalsContact C-N 3.31Å; L690-A692 PolarHBondContact O-N 3.35Å; L690-I693 PolarHBondContact O-N 3.38Å; L690-Y694 WeakPolarHBondContact O-CB 3.37Å; L690-Y694 PolarHBondContact O-N 3.34Å
691	H	90.6	Very high	85.4	Confident	4 Å²	4	26.5 Å²	26.5	2%	0.019	14%	0.135	C	C	.	.	H	α-helix	trans	-61.4	-39.1	172.8	-78.4	94.8	0	0	0	111.8	M529 E687 M688 Y694 M695	M529-H691 HydrophobicContact CG-CB 4.12Å; E687-H691 PolarHBondContact O-N 3.09Å; E687-H691 PolarHBondContact O-ND1 3.02Å; E687-H691 IonicContact OE1-CE1 3.16Å; M688-H691 PolarHBondContact O-N 3.19Å; H691-Y694 PolarHBondContact O-N 3.33Å; H691-M695 WeakPolarHBondContact O-CB 3.31Å; H691-M695 VanDerWaalsContact O-CG 3.23Å; H691-M695 WeakPolarHBondContact O-CG 3.3Å; H691-M695 PolarHBondContact O-N 3.3Å
692	A	90.4	Very high	85.3	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.2	-48.4	175.9	0	0	0	0	0	111.5	H417 L526 M688 S689 L690 Y694 M695 H696	H417-A692 HydrophobicContact CB-CB 4.09Å; L526-A692 HydrophobicContact CD2-CB 4.33Å; M688-A692 WeakPolarHBondContact O-CB 3.47Å; M688-A692 PolarHBondContact O-N 2.93Å; S689-A692 PolarHBondContact O-N 3.2Å; L690-A692 VanDerWaalsContact C-N 3.31Å; L690-A692 PolarHBondContact O-N 3.35Å; A692-Y694 PolarHBondContact O-N 3.4Å; A692-M695 PolarHBondContact O-N 3.05Å; A692-H696 WeakPolarHBondContact O-CB 3.41Å; A692-H696 PolarHBondContact O-CD2 2.94Å; A692-H696 VanDerWaalsContact O-CD2 3.23Å; A692-H696 PolarHBondContact O-N 2.96Å
693	I	88.6	Confident	84.6	Confident	8 Å²	8	27.4 Å²	27.4	4%	0.041	15%	0.147	C	C	.	.	H	α-helix	trans	-57	-50.7	174.8	-65.6	161.4	0	0	0	110.6	A414 V594 L595 A618 S689 L690 M695 H696 E697	A414-I693 HydrophobicContact CB-CD1 3.95Å; A414-I693 HydrophobicContact CB-CG1 4.35Å; V594-I693 HydrophobicContact CG1-CD1 4.48Å; L595-I693 HydrophobicContact CD2-CD1 3.78Å; L595-I693 HydrophobicContact CD2-CG1 4.48Å; L595-I693 HydrophobicContact CG-CD1 4.31Å; A618-I693 HydrophobicContact CB-CG2 4.04Å; S689-I693 WeakPolarHBondContact O-CG1 3.38Å; S689-I693 PolarHBondContact O-N 3.48Å; S689-I693 VanDerWaalsContact O-N 3.08Å; L690-I693 PolarHBondContact O-N 3.38Å; I693-M695 PolarHBondContact O-N 3.04Å; I693-H696 PolarHBondContact O-N 3.32Å; I693-E697 HydrophobicContact CG2-CG 4.49Å; I693-E697 VanDerWaalsContact O-CG 3.3Å; I693-E697 WeakPolarHBondContact O-CG 3.47Å; I693-E697 PolarHBondContact O-N 3.23Å
694	Y	89.8	Confident	83.3	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60	-46.5	-178.7	177.7	-92.7	0	0	0	112.3	L551 K554 V555 D558 A619 A623 L690 H691 A692 H696 E697 L698	L551-Y694 HydrophobicContact CD1-CD1 4.14Å; L551-Y694 HydrophobicContact CD1-CE1 3.7Å; K554-Y694 WeakPolarHBondContact CG-OH 3.41Å; V555-Y694 HydrophobicContact CG2-CD1 3.81Å; V555-Y694 HydrophobicContact CG2-CD2 4.37Å; V555-Y694 HydrophobicContact CG2-CE1 3.57Å; V555-Y694 HydrophobicContact CG2-CE2 4.17Å; V555-Y694 HydrophobicContact CG2-CG 4.23Å; D558-Y694 HydrophobicContact CB-CE2 4.46Å; D558-Y694 PolarHBondContact OD2-OH 3.36Å; A619-Y694 HydrophobicContact CB-CD2 3.68Å; A619-Y694 HydrophobicContact CB-CE2 4.1Å; A623-Y694 HydrophobicContact CB-CD2 4.32Å; A623-Y694 HydrophobicContact CB-CE2 4.2Å; L690-Y694 WeakPolarHBondContact O-CB 3.37Å; L690-Y694 PolarHBondContact O-N 3.34Å; H691-Y694 PolarHBondContact O-N 3.33Å; A692-Y694 PolarHBondContact O-N 3.4Å; Y694-H696 PolarHBondContact O-N 3.49Å; Y694-E697 PolarHBondContact O-N 2.95Å; Y694-L698 HydrophobicContact CE1-CD2 4.16Å; Y694-L698 WeakPolarHBondContact O-CB 3.39Å; Y694-L698 PolarHBondContact O-N 3.13Å
695	M	89.8	Confident	81.3	Confident	7 Å²	7	35 Å²	35	3%	0.034	19%	0.189	C	C	.	.	H	α-helix	trans	-66.1	-38.4	179.6	-70.9	173.8	66.7	0	0	112.5	W505 E525 L526 F547 L551 H691 A692 I693 L698 H699	W505-M695 HydrophobicContact CE3-CE 4.39Å; W505-M695 HydrophobicContact CZ3-CB 4.16Å; E525-M695 HydrophobicContact CB-CE 3.66Å; L526-M695 HydrophobicContact CD2-CE 4.07Å; L526-M695 HydrophobicContact CD2-SD 3.89Å; L526-M695 HydrophobicContact CG-CE 4.28Å; F547-M695 HydrophobicContact CZ-CE 4.31Å; L551-M695 HydrophobicContact CD2-CG 4.25Å; L551-M695 HydrophobicContact CD2-SD 3.92Å; H691-M695 WeakPolarHBondContact O-CB 3.31Å; H691-M695 VanDerWaalsContact O-CG 3.23Å; H691-M695 WeakPolarHBondContact O-CG 3.3Å; H691-M695 PolarHBondContact O-N 3.3Å; A692-M695 PolarHBondContact O-N 3.05Å; I693-M695 PolarHBondContact O-N 3.04Å; M695-L698 PolarHBondContact O-N 2.98Å; M695-H699 WeakPolarHBondContact O-CB 3.42Å; M695-H699 PolarHBondContact O-N 3.14Å
696	H	88.8	Confident	79	Confident	10 Å²	10	42.8 Å²	42.8	5%	0.046	22%	0.223	C	C	.	.	H	α-helix	trans	-66.6	-36.4	174.8	-89.5	-94.6	0	0	0	112.9	L413 H417 R424 W505 A692 I693 Y694 Q700	L413-H696 HydrophobicContact CD2-CB 4.12Å; H417-H696 PolarHBondContact O-NE2 2.86Å; R424-H696 PolarHBondContact NH1-O 3.47Å; W505-H696 AromaticContact CH2-CD2 3.72Å; W505-H696 AromaticContact CH2-CE1 3.61Å; W505-H696 AromaticContact CH2-CG 3.86Å; W505-H696 AromaticContact CH2-ND1 3.81Å; W505-H696 AromaticContact CH2-NE2 3.57Å; A692-H696 WeakPolarHBondContact O-CB 3.41Å; A692-H696 PolarHBondContact O-CD2 2.94Å; A692-H696 VanDerWaalsContact O-CD2 3.23Å; A692-H696 PolarHBondContact O-N 2.96Å; I693-H696 PolarHBondContact O-N 3.32Å; Y694-H696 PolarHBondContact O-N 3.49Å; H696-Q700 PolarHBondContact O-N 2.6Å
697	E	85.8	Confident	76.2	Confident	17 Å²	17	54.5 Å²	54.5	8%	0.079	27%	0.267	C	S	.	.	H	α-helix	trans	-67.1	-43.2	170.2	-64.8	-120.1	139.2	0	0	112.1	R424 S617 A618 A619 I693 Y694 H699 Q700 Q701	R424-E697 IonicContact CZ-OE1 2.7Å; R424-E697 IonicContact NH2-OE1 4Å; R424-E697 PolarHBondContact NH2-OE1 3.35Å; S617-E697 WeakPolarHBondContact CB-OE2 3.43Å; S617-E697 PolarHBondContact OG-OE2 3.24Å; A618-E697 WeakPolarHBondContact CB-OE1 3.43Å; A618-E697 PolarHBondContact N-OE2 2.89Å; A619-E697 HydrophobicContact CB-CB 3.62Å; A619-E697 HydrophobicContact CB-CG 3.84Å; A619-E697 WeakPolarHBondContact CB-OE2 3.33Å; A619-E697 VanDerWaalsContact N-CD 3.28Å; A619-E697 PolarHBondContact N-OE2 3.36Å; I693-E697 HydrophobicContact CG2-CG 4.49Å; I693-E697 VanDerWaalsContact O-CG 3.3Å; I693-E697 WeakPolarHBondContact O-CG 3.47Å; I693-E697 PolarHBondContact O-N 3.23Å; Y694-E697 PolarHBondContact O-N 2.95Å; E697-H699 PolarHBondContact O-N 2.83Å; E697-Q700 WeakPolarHBondContact O-CB 3.34Å; E697-Q700 PolarHBondContact O-N 3.36Å; E697-Q700 VanDerWaalsContact O-N 3.1Å; E697-Q701 WeakPolarHBondContact O-CG 3.4Å; E697-Q701 PolarHBondContact O-N 3.39Å
698	L	85	Confident	73.3	Confident	25 Å²	25	59.5 Å²	59.5	13%	0.131	30%	0.299	C	S	.	.	H	α-helix	trans	-63.8	-43.1	-177.1	-165.5	71.4	0	0	0	111.6	K554 Y694 M695 Q700 Q701 T702	K554-L698 HydrophobicContact CD-CD1 4.11Å; K554-L698 HydrophobicContact CD-CD2 3.98Å; K554-L698 VanDerWaalsContact CE-CD1 3.5Å; Y694-L698 HydrophobicContact CE1-CD2 4.16Å; Y694-L698 WeakPolarHBondContact O-CB 3.39Å; Y694-L698 PolarHBondContact O-N 3.13Å; M695-L698 PolarHBondContact O-N 2.98Å; L698-Q700 VanDerWaalsContact C-N 3.27Å; L698-Q700 PolarHBondContact O-N 3.34Å; L698-Q701 PolarHBondContact O-N 3.42Å; L698-T702 PolarHBondContact O-N 3.32Å; L698-T702 VanDerWaalsContact O-N 3.16Å; L698-T702 PolarHBondContact O-OG1 2.95Å
699	H	84.3	Confident	70.6	Confident	14 Å²	14	65.2 Å²	65.2	7%	0.065	34%	0.339	C	S	.	.	H	α-helix	trans	-59.6	-35.5	172.9	174.5	51.6	0	0	0	112.5	D421 T504 W505 M695 E697 T702 S703	D421-H699 IonicContact OD1-CD2 2.76Å; D421-H699 IonicContact OD1-NE2 3.45Å; D421-H699 PolarHBondContact OD1-NE2 3.41Å; D421-H699 IonicContact OD2-NE2 3.3Å; T504-H699 PolarHBondContact O-ND1 3.13Å; T504-H699 PolarHBondContact OG1-CE1 2.95Å; T504-H699 VanDerWaalsContact OG1-CE1 3.24Å; W505-H699 AromaticContact CD1-ND1 3.93Å; W505-H699 HydrophobicContact CD2-CB 4.36Å; W505-H699 AromaticContact CE2-CD2 3.79Å; W505-H699 AromaticContact CE2-CG 3.86Å; W505-H699 AromaticContact CZ2-CD2 3.79Å; W505-H699 AromaticContact NE1-CD2 3.79Å; W505-H699 AromaticContact NE1-CE1 3.76Å; W505-H699 AromaticContact NE1-CG 3.9Å; W505-H699 AromaticContact NE1-ND1 3.86Å; W505-H699 AromaticContact NE1-NE2 3.72Å; M695-H699 WeakPolarHBondContact O-CB 3.42Å; M695-H699 PolarHBondContact O-N 3.14Å; E697-H699 PolarHBondContact O-N 2.83Å; H699-T702 PolarHBondContact O-OG1 2.82Å; H699-T702 VanDerWaalsContact O-OG1 3.09Å; H699-S703 WeakPolarHBondContact O-CB 3.41Å; H699-S703 PolarHBondContact O-N 3.18Å; H699-S703 VanDerWaalsContact O-N 3.1Å; H699-S703 PolarHBondContact O-OG 2.9Å
700	Q	79.1	Confident	67.5	Low	91 Å²	91	68.8 Å²	68.8	43%	0.425	38%	0.376	S	S	.	.	H	α-helix	trans	-68.7	-42.5	175.1	-170.9	-178.5	7.4	0	0	112.1	H696 E697 L698 T702 S703 H704	H696-Q700 PolarHBondContact O-N 2.6Å; E697-Q700 WeakPolarHBondContact O-CB 3.34Å; E697-Q700 PolarHBondContact O-N 3.36Å; E697-Q700 VanDerWaalsContact O-N 3.1Å; L698-Q700 VanDerWaalsContact C-N 3.27Å; L698-Q700 PolarHBondContact O-N 3.34Å; Q700-T702 VanDerWaalsContact C-N 3.32Å; Q700-T702 PolarHBondContact O-N 3.39Å; Q700-S703 WeakPolarHBondContact CA-OG 3.45Å; Q700-S703 PolarHBondContact O-N 2.99Å; Q700-S703 PolarHBondContact O-OG 3.39Å; Q700-H704 PolarHBondContact O-N 3.21Å
701	Q	76.5	Confident	64.4	Low	104 Å²	104	77 Å²	77	49%	0.486	41%	0.414	S	S	.	.	H	α-helix	trans	-64.8	-34.2	179.9	-69.2	175.9	4.6	0	0	112.7	E697 L698	E697-Q701 WeakPolarHBondContact O-CG 3.4Å; E697-Q701 PolarHBondContact O-N 3.39Å; L698-Q701 PolarHBondContact O-N 3.42Å
702	T	71.3	Confident	61.3	Low	81 Å²	81	89.3 Å²	89.3	50%	0.497	46%	0.461	S	S	.	.	H	α-helix	trans	-78.7	-36.7	176.5	51.5	0	0	0	0	113	L698 H699 Q700	L698-T702 PolarHBondContact O-N 3.32Å; L698-T702 VanDerWaalsContact O-N 3.16Å; L698-T702 PolarHBondContact O-OG1 2.95Å; H699-T702 PolarHBondContact O-OG1 2.82Å; H699-T702 VanDerWaalsContact O-OG1 3.09Å; Q700-T702 VanDerWaalsContact C-N 3.32Å; Q700-T702 PolarHBondContact O-N 3.39Å
703	S	62.1	Low	58.1	Low	62 Å²	62	97.3 Å²	97.3	43%	0.434	50%	0.498	S	S	.	.	H	α-helix	trans	-76.8	-29.7	-179.8	54.4	0	0	0	0	113.9	H699 Q700	H699-S703 WeakPolarHBondContact O-CB 3.41Å; H699-S703 PolarHBondContact O-N 3.18Å; H699-S703 VanDerWaalsContact O-N 3.1Å; H699-S703 PolarHBondContact O-OG 2.9Å; Q700-S703 WeakPolarHBondContact CA-OG 3.45Å; Q700-S703 PolarHBondContact O-N 2.99Å; Q700-S703 PolarHBondContact O-OG 3.39Å
704	H	53.7	Low	55.1	Low	154 Å²	154	102 Å²	102	71%	0.713	53%	0.532	S	S	*	.	S	Bend	trans	-130	87.4	173.1	-82.9	8.1	0	0	0	110.8	Q700 Q706	Q700-H704 PolarHBondContact O-N 3.21Å; H704-Q706 PolarHBondContact O-N 2.94Å
705	P	43.3	Very low	52	Low	109 Å²	109	107.4 Å²	107.4	71%	0.708	57%	0.57	S	S	*	*			trans	-60.1	110.3	170.1	24.6	-33.2	0	0	0	109.3	R707	P705-R707 PolarHBondContact O-N 3.2Å
706	Q	35.4	Very low	49.1	Very low	181 Å²	181	113.6 Å²	113.6	85%	0.846	61%	0.607	S	S	*	*			trans	-59.7	119.5	-174	-161.2	171.7	9.3	0	0	109.6	H704 T708	H704-Q706 PolarHBondContact O-N 2.94Å; Q706-T708 PolarHBondContact O-N 2.99Å
707	R	27.1	Very low	46.3	Very low	250 Å²	250	118.2 Å²	118.2	94%	0.943	64%	0.638	S	S	*	*			trans	-55.9	110.5	171	-89.9	-174.2	173.6	178.3	-1.4	108.3	P705	P705-R707 PolarHBondContact O-N 3.2Å
708	T	28.1	Very low	43.5	Very low	127 Å²	127	125.6 Å²	125.6	78%	0.779	68%	0.675	S	S	*	*			trans	-65.6	133.5	175.5	34.9	0	0	0	0	110.4	Q706	Q706-T708 PolarHBondContact O-N 2.99Å
709	S	33.3	Very low	40.6	Very low	124 Å²	124	135.7 Å²	135.7	87%	0.867	71%	0.711	S	S	*	*			trans	52.8	107.8	168.3	57.5	0	0	0	0	118
710	G	25.3	Very low	37.8	Very low	76 Å²	76	141 Å²	141	78%	0.784	74%	0.74	S	S	*	*			trans	-169.9	80.9	169.8	0	0	0	0	0	114
711	H	23.3	Very low	35.3	Very low	173 Å²	173	146.9 Å²	146.9	80%	0.801	77%	0.765	S	S	*	*			trans	44.7	107.2	163.6	-112.9	54.6	0	0	0	118.5	Q713	H711-Q713 PolarHBondContact O-N 3.11Å
712	W	25.5	Very low	33	Very low	263 Å²	263	150.1 Å²	150.1	100%	0.996	78%	0.78	S	S	*	*			trans	-63	103.7	161.2	-74.5	86.1	0	0	0	110.1	S714	W712-S714 PolarHBondContact O-N 2.69Å
713	Q	24.7	Very low	31	Very low	167 Å²	167	152.4 Å²	152.4	78%	0.78	79%	0.794	S	S	*	*			trans	-88.7	107.3	169.7	-83.3	-170.7	-25.5	0	0	111.3	H711	H711-Q713 PolarHBondContact O-N 3.11Å
714	S	24.7	Very low	29.3	Very low	108 Å²	108	157 Å²	157	76%	0.755	81%	0.813	S	S	*	*			trans	52.1	118.5	149	54.4	0	0	0	0	119.2	W712	W712-S714 PolarHBondContact O-N 2.69Å
715	S	25.7	Very low	28.2	Very low	113 Å²	113	156.3 Å²	156.3	79%	0.79	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-48.7	133.3	157.7	37.1	0	0	0	0	112.5	P717	S715-P717 WeakPolarHBondContact O-CD 3.41Å
716	V	28.4	Very low	27.4	Very low	136 Å²	136	154.8 Å²	154.8	82%	0.824	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-67.9	121.6	161.4	179.2	0	0	0	0	107.3	M718	V716-M718 PolarHBondContact O-N 2.92Å
717	P	29.2	Very low	26.9	Very low	108 Å²	108	155.7 Å²	155.7	70%	0.701	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-68.5	135.2	178.3	27.1	-32.7	0	0	0	110.2	S715 R719	S715-P717 WeakPolarHBondContact O-CD 3.41Å; P717-R719 PolarHBondContact O-N 2.98Å
718	M	26.8	Very low	27	Very low	172 Å²	172	152.8 Å²	152.8	85%	0.847	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-56.3	130.5	164.3	-112.4	-168.5	-75.4	0	0	108.4	V716 D720	V716-M718 PolarHBondContact O-N 2.92Å; M718-D720 PolarHBondContact O-N 2.86Å
719	R	25.5	Very low	26.9	Very low	236 Å²	236	149.5 Å²	149.5	89%	0.891	81%	0.814	S	S	*	*			trans	-96.4	96.1	177.8	-161.4	175.4	-166.9	165.1	3.6	108.5	P717 F721	P717-R719 PolarHBondContact O-N 2.98Å; R719-F721 PolarHBondContact O-N 2.94Å
720	D	25.7	Very low	26.7	Very low	126 Å²	126	153.4 Å²	153.4	67%	0.674	82%	0.818	S	S	*	*			trans	-57.9	128.2	177.4	-67.1	-48.2	0	0	0	111	M718 H722	M718-D720 PolarHBondContact O-N 2.86Å; D720-H722 PolarHBondContact O-N 3.04Å
721	F	26.7	Very low	26.7	Very low	215 Å²	215	153.1 Å²	153.1	94%	0.943	82%	0.815	S	S	*	*			trans	-77.7	88	173.3	-96.5	-89	0	0	0	109.8	R719	R719-F721 PolarHBondContact O-N 2.94Å
722	H	26.9	Very low	26.8	Very low	172 Å²	172	150 Å²	150	80%	0.796	81%	0.813	S	S	*	*			trans	-94.4	120.2	161.4	-84.9	-69.4	0	0	0	111.1	D720	D720-H722 PolarHBondContact O-N 3.04Å
723	T	29.9	Very low	26.9	Very low	129 Å²	129	146.8 Å²	146.8	79%	0.791	81%	0.809	S	S	*	*			trans	-60.6	130.6	169.6	47.5	0	0	0	0	111.4
724	N	26.8	Very low	27	Very low	158 Å²	158	144.1 Å²	144.1	85%	0.845	81%	0.808	S	S	*	*			trans	-154.6	156.6	137.8	-124.3	-13	0	0	0	113.6
725	T	29.6	Very low	27.1	Very low	139 Å²	139	144.4 Å²	144.4	85%	0.853	81%	0.81	S	S	*	*			trans	-83.3	156.2	-172.9	43.6	0	0	0	0	113.2
726	G	27	Very low	27.1	Very low	78 Å²	78	145.8 Å²	145.8	80%	0.804	81%	0.809	S	S	*	*			trans	172.6	94.6	173.2	0	0	0	0	0	113.6
727	F	25.9	Very low	27	Very low	200 Å²	200	146.4 Å²	146.4	88%	0.877	81%	0.806	S	S	*	*			trans	-86.3	171.8	167.5	-123.9	-99.7	0	0	0	110.3
728	H	28.5	Very low	26.8	Very low	188 Å²	188	146.2 Å²	146.2	87%	0.87	81%	0.807	S	S	*	*			trans	88.5	142.2	-172.5	-54.1	-74	0	0	0	114.7
729	G	26.2	Very low	26.8	Very low	59 Å²	59	146.5 Å²	146.5	61%	0.608	81%	0.809	S	S	*	*			cis	145.2	125.4	-3.8	0	0	0	0	0	111.8
730	H	27.8	Very low	26.9	Very low	205 Å²	205	141.2 Å²	141.2	95%	0.949	81%	0.805	S	S	*	*			trans	66.3	154.1	-172.6	-56.9	-82.1	0	0	0	115.1
731	G	25.9	Very low	27	Very low	70 Å²	70	139.2 Å²	139.2	72%	0.722	81%	0.806	S	S	*	*			cis	-161.1	176.6	2.4	0	0	0	0	0	113.3
732	S	25.2	Very low	27.6	Very low	107 Å²	107	135.1 Å²	135.1	75%	0.748	80%	0.801	S	S	*	*			trans	-63.2	146.6	-174.9	51.5	0	0	0	0	115.6
733	H	28.7	Very low	27.5	Very low	197 Å²	197	131.9 Å²	131.9	91%	0.912	80%	0.804	S	S	*	*			trans	-152.8	140.9	131.5	-105.1	-66.8	0	0	0	112.2
734	S	25.3	Very low	27.2	Very low	110 Å²	110	134.6 Å²	134.6	77%	0.769	81%	0.808	S	S	*	*			trans	-114.9	140	178.9	45.8	0	0	0	0	110.8
735	S	27.8	Very low	27.1	Very low	114 Å²	114	135.6 Å²	135.6	80%	0.797	81%	0.812	S	S	*	*			trans	-158.7	93.5	164.6	59.6	0	0	0	0	112.4
736	N	25.6	Very low	26.8	Very low	142 Å²	142	132.9 Å²	132.9	76%	0.759	81%	0.812	S	S	*	*			trans	39.1	127.1	134.3	-71.8	-1.9	0	0	0	122.7
737	I	26.6	Very low	26.5	Very low	149 Å²	149	132.1 Å²	132.1	76%	0.764	80%	0.804	S	S	*	*				69.6	134.7	125.2	-58.9	171.2	0	0	0	115.9
738	S	24.1	Very low	26.3	Very low	105 Å²	105	134.5 Å²	134.5	73%	0.734	81%	0.807	S	S	*	*			cis	-154.8	154.3	14.6	36.2	0	0	0	0	111.8
739	M	27.2	Very low	26	Very low	177 Å²	177	132.8 Å²	132.8	87%	0.872	80%	0.797	S	S	*	*			trans	-76.7	163.7	155	-74.6	-149.6	168	0	0	111.9
740	P	27.2	Very low	25.8	Very low	126 Å²	126	137.9 Å²	137.9	82%	0.818	81%	0.805	S	S	*	*				-128.6	145.4	127.5	36.1	-28.7	0	0	0	113.4
741	A	27.3	Very low	25.6	Very low	84 Å²	84	135.5 Å²	135.5	69%	0.694	80%	0.795	S	S	*	*			trans	-120.1	-159.6	163.9	0	0	0	0	0	108.4
742	P	40.2	Very low	25.3	Very low	129 Å²	129	140.6 Å²	140.6	84%	0.838	80%	0.799	S	S	*	*				-107.1	179.2	-94.7	38.1	-26.6	0	0	0	112.8
743	A	24.7	Very low	25.1	Very low	104 Å²	104	144 Å²	144	86%	0.86	80%	0.804	S	S	*	*			trans	-120.8	129.4	171.9	0	0	0	0	0	112
744	Q	24.4	Very low	24.8	Very low	185 Å²	185	142.7 Å²	142.7	86%	0.864	80%	0.803	S	S	*	*			trans	-97.8	158.1	170	-68.6	177.9	-45.6	0	0	111.1
745	L	23.7	Very low	24.6	Very low	179 Å²	179	146.4 Å²	146.4	94%	0.937	81%	0.809	S	S	*	*			trans	-161.1	107.1	142.3	-118.5	109.8	0	0	0	105.5
746	G	23.4	Very low	24.4	Very low	83 Å²	83	149.2 Å²	149.2	86%	0.856	81%	0.814	S	S	*	*				83.6	134.5	95.4	0	0	0	0	0	111.7
747	G	20.8	Very low	24.2	Very low	61 Å²	61	149.2 Å²	149.2	63%	0.629	81%	0.814	S	S	*	*			cis	147.6	145.6	0.7	0	0	0	0	0	110.2
748	W	21.3	Very low	24.1	Very low	251 Å²	251	151.7 Å²	151.7	95%	0.951	82%	0.823	S	S	*	*			trans	75.5	143.8	174.1	-48.9	99.1	0	0	0	116.6
749	K	22.3	Very low	24.1	Very low	151 Å²	151	154.9 Å²	154.9	66%	0.657	83%	0.826	S	S	*	*			cis	-159.8	167.6	-9.6	-157.5	-173.2	165.8	-135.8	0	110.3	E751	K749-E751 IonicContact NZ-OE1 3.65Å; K749-E751 PolarHBondContact NZ-OE1 3.07Å
750	E	21.5	Very low	24.1	Very low	167 Å²	167	153.5 Å²	153.5	78%	0.78	82%	0.821	S	S	*	*			trans	-82.7	162.9	171	-59.5	144.2	133.8	0	0	114.3
751	E	23.7	Very low	24	Very low	155 Å²	155	154.1 Å²	154.1	72%	0.724	82%	0.817	S	S	*	*			trans	177.2	111	148.3	-94.8	145.9	-140.3	0	0	105.9	K749	K749-E751 IonicContact NZ-OE1 3.65Å; K749-E751 PolarHBondContact NZ-OE1 3.07Å
752	E	20.5	Very low	24	Very low	176 Å²	176	155 Å²	155	82%	0.822	82%	0.818	S	S	*	*				53.6	104.5	80.6	-72.6	-175.2	174.2	0	0	112.7
753	E	21.6	Very low	23.3	Very low	179 Å²	179	152.4 Å²	152.4	84%	0.836	82%	0.815	S	S	*	*				71.8	119.3	97.1	-85.4	-168	-179.7	0	0	114.1
754	D	21.9	Very low	23.4	Very low	169 Å²	169	153.1 Å²	153.1	90%	0.904	81%	0.814	S	S	*	*			trans	-174.4	140.9	131.7	-97.8	-26.6	0	0	0	111.5
755	E	21.7	Very low	23.6	Very low	189 Å²	189	149.6 Å²	149.6	88%	0.883	81%	0.809	S	S	*	*			trans	-90	156.1	169.1	-62.2	179.2	132.4	0	0	109.8
756	D	22.6	Very low	24.5	Very low	172 Å²	172	145.9 Å²	145.9	92%	0.92	80%	0.796	S	S	*	*			trans	-159.1	136.5	148	-122.9	-20	0	0	0	112.7
757	D	22.7	Very low	24.8	Very low	142 Å²	142	151.2 Å²	151.2	76%	0.759	80%	0.796	S	S	*	*			trans	-90.4	157.9	-175.4	-88	-48.9	0	0	0	113.2
758	Q	24.2	Very low	25.2	Very low	202 Å²	202	157.8 Å²	157.8	94%	0.944	81%	0.807	S	S	*	*			trans	-155.2	129.6	137.3	-122.8	153.4	81.9	0	0	115.2
759	E	24	Very low	25.7	Very low	172 Å²	172	150.2 Å²	150.2	80%	0.804	80%	0.798	S	S	*	*			trans	-86.7	-168.3	-175.6	-74.6	-167	112.3	0	0	114.6
760	I	27.2	Very low	26.2	Very low	147 Å²	147	150 Å²	150	75%	0.754	81%	0.81	S	S	*	*			trans	99.4	121.1	153.3	-53.7	179.7	0	0	0	113.3
761	N	25.1	Very low	27.5	Very low	139 Å²	139	147.3 Å²	147.3	74%	0.743	81%	0.806	S	S	*	*			cis	-149	147.7	23.2	-138.3	-14.3	0	0	0	116.9
762	S	26.1	Very low	28.1	Very low	103 Å²	103	151.1 Å²	151.1	72%	0.72	81%	0.814	S	S	*	*			trans	14.9	140.8	145.3	69.3	0	0	0	0	123.5
763	G	26.2	Very low	28.9	Very low	74 Å²	74	148.1 Å²	148.1	76%	0.763	81%	0.813	S	S	*	*			trans	-178.9	68.5	163	0	0	0	0	0	118.5
764	S	27.3	Very low	29.9	Very low	120 Å²	120	149 Å²	149	84%	0.839	84%	0.839	S	S	*	*			trans	-3.1	135.2	163.6	58.2	0	0	0	0	122
765	S	28.2	Very low	30.3	Very low	110 Å²	110	148.1 Å²	148.1	77%	0.769	84%	0.836	S	S	*	*			trans	-80.3	-177.3	157.3	65.7	0	0	0	0	111.5
766	P	43.1	Very low	30.8	Very low	101 Å²	101	145.9 Å²	145.9	66%	0.656	83%	0.833	S	S	*	*			cis	-142.4	-169.7	0.6	43.2	-23.8	0	0	0	116.8
767	K	28.5	Very low	31.2	Very low	195 Å²	195	144.4 Å²	144.4	85%	0.848	83%	0.828	S	S	*	*			trans	90.4	148.3	149.9	-77	174.5	-179.2	173.7	0	122.9
768	K	29.3	Very low	31.7	Very low	200 Å²	200	144.6 Å²	144.6	87%	0.87	83%	0.832	S	S	*	*			trans	71.6	126.3	169.9	-63.9	176.2	-179.3	178.6	0	115.8
769	A	31.4	Very low	32.2	Very low	92 Å²	92	141 Å²	141	76%	0.76	83%	0.825	S	S	*	*			cis	81.4	90.4	23.8	0	0	0	0	0	116.6
770	T	32.8	Very low	32.7	Very low	147 Å²	147	138.9 Å²	138.9	90%	0.902	83%	0.827	S	S	*	*			trans	-159.7	160.3	148.5	15.3	0	0	0	0	110.8
771	P	49.1	Very low	33.1	Very low	109 Å²	109	138.4 Å²	138.4	71%	0.708	83%	0.832	S	S	*	*			trans	-123.3	176.3	-166.7	43.6	-32.1	0	0	0	116.5
772	R	37.1	Very low	33.8	Very low	235 Å²	235	138.3 Å²	138.3	89%	0.887	84%	0.839	S	S	*	*			trans	79.7	155.9	154.9	-81.3	-177.1	172.8	-179	-2.1	121
773	S	37.8	Very low	34.4	Very low	114 Å²	114	141.3 Å²	141.3	80%	0.797	85%	0.849	S	S	*	*			trans	59.2	123.2	176.3	48.5	0	0	0	0	115.8
774	S	42	Very low	35.1	Very low	198 Å²	198	147.4 Å²	147.4	100%	1.385	86%	0.856	S	S	*	*			cis	-126.7	0	35	-51.7	0	0	0	0	114.7

Retrieved 774 of 774 residues in 1180.5 ms (Link to these results)

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