G4M1H9_SCHMA Loading...

O-acyltransferase (Membrane bound) domain containing protein, putative

AlphaFold DB , UniProt , Accession G4M1H9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 460 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.8	Very low	39.9	Very low	207 Å²	207	109.4 Å²	109.4	100%	1.02	61%	0.605	S	S	*	*				0	104.6	0	-77.6	178.4	175.4	0	0	107.8
2	G	32.9	Very low	42.6	Very low	50 Å²	50	109.3 Å²	109.3	52%	0.515	61%	0.613	S	S	.	*			trans	-74.9	157.4	-166.5	0	0	0	0	0	114.7	S4 R5	G2-S4 PolarHBondContact O-N 3.2Å; G2-S4 VanDerWaalsContact O-N 3.07Å; G2-R5 PolarHBondContact O-N 2.89Å
3	V	38.1	Very low	44.9	Very low	111 Å²	111	109.2 Å²	109.2	67%	0.673	61%	0.605	S	S	*	*	H	α-helix	trans	-51.1	-30.5	178.2	-178.2	0	0	0	0	112.6	R5 Y6 L7	V3-R5 VanDerWaalsContact C-N 3.35Å; V3-R5 PolarHBondContact O-N 3.16Å; V3-Y6 WeakPolarHBondContact O-CB 3.45Å; V3-Y6 PolarHBondContact O-N 3.2Å; V3-L7 PolarHBondContact O-N 2.99Å
4	S	28.1	Very low	47.2	Very low	102 Å²	102	107.1 Å²	107.1	71%	0.713	59%	0.589	S	S	*	*	H	α-helix	trans	-57.3	-39.5	176.2	166.8	0	0	0	0	113.8	G2 Y6 L7	G2-S4 PolarHBondContact O-N 3.2Å; G2-S4 VanDerWaalsContact O-N 3.07Å; S4-Y6 VanDerWaalsContact C-N 3.28Å; S4-Y6 PolarHBondContact O-N 3.48Å; S4-L7 PolarHBondContact O-N 3.45Å
5	R	29.5	Very low	49.5	Very low	181 Å²	181	106.2 Å²	106.2	68%	0.683	57%	0.573	S	S	*	*	H	α-helix	trans	-75.8	-17.7	178.1	-141.4	-177.5	-163.2	-177.4	6.1	112.7	G2 V3 S8 V9	G2-R5 PolarHBondContact O-N 2.89Å; V3-R5 VanDerWaalsContact C-N 3.35Å; V3-R5 PolarHBondContact O-N 3.16Å; R5-S8 PolarHBondContact O-OG 2.93Å; R5-V9 WeakPolarHBondContact O-CG2 3.4Å
6	Y	35.1	Very low	51.7	Low	109 Å²	109	101.4 Å²	101.4	43%	0.427	55%	0.552	S	S	.	*	H	α-helix	trans	-77.7	-37.6	173.6	-86.9	-86.3	0	0	0	111.8	V3 S4 S8 V9	V3-Y6 WeakPolarHBondContact O-CB 3.45Å; V3-Y6 PolarHBondContact O-N 3.2Å; S4-Y6 VanDerWaalsContact C-N 3.28Å; S4-Y6 PolarHBondContact O-N 3.48Å; Y6-S8 PolarHBondContact O-N 2.94Å; Y6-V9 PolarHBondContact O-N 3.05Å
7	L	32.4	Very low	53.7	Low	94 Å²	94	98.4 Å²	98.4	49%	0.492	53%	0.533	S	S	.	.	H	α-helix	trans	-63.1	-28	178.5	-65.9	174.8	0	0	0	112.5	V3 S4 W15	V3-L7 PolarHBondContact O-N 2.99Å; S4-L7 PolarHBondContact O-N 3.45Å; L7-W15 HydrophobicContact CD2-CH2 4.03Å; L7-W15 HydrophobicContact CD2-CZ2 3.48Å; L7-W15 VanDerWaalsContact CD2-CZ2 3.48Å
8	S	31.1	Very low	55.6	Low	93 Å²	93	95.4 Å²	95.4	65%	0.65	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-13.1	179.1	61.2	0	0	0	0	115.1	R5 Y6	R5-S8 PolarHBondContact O-OG 2.93Å; Y6-S8 PolarHBondContact O-N 2.94Å
9	V	46.4	Very low	57.4	Low	115 Å²	115	94.8 Å²	94.8	70%	0.697	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-22.1	-175.5	179	0	0	0	0	112.1	R5 Y6	R5-V9 WeakPolarHBondContact O-CG2 3.4Å; Y6-V9 PolarHBondContact O-N 3.05Å
10	V	58.9	Low	59.1	Low	43 Å²	43	90.4 Å²	90.4	26%	0.261	49%	0.488	S	S	.	.	S	Bend	trans	-95.9	124.1	-178.7	175.8	0	0	0	0	108.8	Q14 W15	V10-Q14 HydrophobicContact CG1-CB 3.66Å; V10-Q14 HydrophobicContact CG1-CG 4.5Å; V10-W15 HydrophobicContact CB-CZ2 4.42Å; V10-W15 HydrophobicContact CG1-CD2 4.43Å; V10-W15 HydrophobicContact CG1-CG 4.29Å
11	D	69	Low	60.5	Low	98 Å²	98	86.1 Å²	86.1	52%	0.524	47%	0.465	S	S	.	.			trans	-54.7	138.1	-179.8	-66.3	-50.9	0	0	0	110.8	E13 Q14 W15	D11-E13 PolarHBondContact O-N 3.03Å; D11-Q14 HydrophobicContact CB-CG 4.22Å; D11-Q14 WeakPolarHBondContact O-CB 3.5Å; D11-Q14 PolarHBondContact O-N 3.23Å; D11-Q14 PolarHBondContact OD2-NE2 3.42Å; D11-W15 PolarHBondContact O-N 3.18Å
12	P	72.3	Confident	63.2	Low	108 Å²	108	80.4 Å²	80.4	70%	0.701	44%	0.438	S	S	*	.	H	α-helix	trans	-51.3	-34	179.8	-28.9	35	0	0	0	114	Q14 W15 A16	P12-Q14 VanDerWaalsContact C-N 3.33Å; P12-Q14 PolarHBondContact O-N 3.42Å; P12-W15 PolarHBondContact O-N 2.89Å; P12-A16 PolarHBondContact O-N 3.4Å
13	E	72.6	Confident	66.1	Low	109 Å²	109	83 Å²	83	51%	0.509	44%	0.435	S	S	.	.	H	α-helix	trans	-63.5	-35.7	176.8	-64.2	175.9	-173	0	0	112.5	D11 A16 F17	D11-E13 PolarHBondContact O-N 3.03Å; E13-A16 PolarHBondContact O-N 2.73Å; E13-F17 WeakPolarHBondContact O-CB 3.21Å; E13-F17 PolarHBondContact O-N 3.42Å
14	Q	78.1	Confident	68.8	Low	80 Å²	80	77.7 Å²	77.7	37%	0.374	40%	0.403	S	S	.	.	H	α-helix	trans	-70.1	-36.2	177	-63.5	-180	33.3	0	0	111.3	V10 D11 P12 L18	V10-Q14 HydrophobicContact CG1-CB 3.66Å; V10-Q14 HydrophobicContact CG1-CG 4.5Å; D11-Q14 HydrophobicContact CB-CG 4.22Å; D11-Q14 WeakPolarHBondContact O-CB 3.5Å; D11-Q14 PolarHBondContact O-N 3.23Å; D11-Q14 PolarHBondContact OD2-NE2 3.42Å; P12-Q14 VanDerWaalsContact C-N 3.33Å; P12-Q14 PolarHBondContact O-N 3.42Å; Q14-L18 WeakPolarHBondContact O-CB 3.5Å; Q14-L18 PolarHBondContact O-N 3.05Å
15	W	80.9	Confident	72	Confident	93 Å²	93	74.5 Å²	74.5	35%	0.352	38%	0.378	S	S	.	.	H	α-helix	trans	-65.8	-45.8	171.6	-77.6	114.6	0	0	0	111.7	L7 V10 D11 P12 F17 L18 I19	L7-W15 HydrophobicContact CD2-CH2 4.03Å; L7-W15 HydrophobicContact CD2-CZ2 3.48Å; L7-W15 VanDerWaalsContact CD2-CZ2 3.48Å; V10-W15 HydrophobicContact CB-CZ2 4.42Å; V10-W15 HydrophobicContact CG1-CD2 4.43Å; V10-W15 HydrophobicContact CG1-CG 4.29Å; D11-W15 PolarHBondContact O-N 3.18Å; P12-W15 PolarHBondContact O-N 2.89Å; W15-F17 VanDerWaalsContact C-N 3.3Å; W15-F17 PolarHBondContact O-N 3.41Å; W15-L18 HydrophobicContact CE3-CD2 4.1Å; W15-L18 HydrophobicContact CZ3-CD2 3.85Å; W15-L18 PolarHBondContact O-N 3.1Å; W15-I19 WeakPolarHBondContact O-CB 3.36Å; W15-I19 VanDerWaalsContact O-CG1 3.24Å; W15-I19 WeakPolarHBondContact O-CG1 3.38Å; W15-I19 PolarHBondContact O-N 3.38Å
16	A	85.2	Confident	75.1	Confident	29 Å²	29	71 Å²	71	24%	0.24	37%	0.372	C	S	.	.	H	α-helix	trans	-58.1	-44.7	175.9	0	0	0	0	0	111.3	P12 E13 I19 C20	P12-A16 PolarHBondContact O-N 3.4Å; E13-A16 PolarHBondContact O-N 2.73Å; A16-I19 PolarHBondContact O-N 3.1Å; A16-C20 WeakPolarHBondContact O-CB 3.33Å; A16-C20 PolarHBondContact O-N 3.31Å; A16-C20 PolarHBondContact O-SG 2.86Å
17	F	85.1	Confident	78.1	Confident	51 Å²	51	66.3 Å²	66.3	22%	0.224	36%	0.356	C	S	.	.	H	α-helix	trans	-58.3	-50.9	174.2	177.6	-92.4	0	0	0	111.9	E13 W15 I19 C20 Q21 V60 M175 I176 A277	E13-F17 WeakPolarHBondContact O-CB 3.21Å; E13-F17 PolarHBondContact O-N 3.42Å; W15-F17 VanDerWaalsContact C-N 3.3Å; W15-F17 PolarHBondContact O-N 3.41Å; F17-I19 PolarHBondContact O-N 2.96Å; F17-C20 PolarHBondContact O-N 3.3Å; F17-Q21 HydrophobicContact CD1-CG 4.11Å; F17-Q21 HydrophobicContact CE1-CG 3.72Å; F17-Q21 HydrophobicContact CE2-CG 4.23Å; F17-Q21 HydrophobicContact CZ-CG 3.78Å; F17-Q21 VanDerWaalsContact CZ-NE2 3.28Å; F17-Q21 WeakPolarHBondContact O-CB 3.33Å; F17-Q21 VanDerWaalsContact O-CG 3.23Å; F17-Q21 WeakPolarHBondContact O-CG 3.48Å; F17-Q21 PolarHBondContact O-N 2.97Å; F17-V60 HydrophobicContact CB-CG1 4.31Å; F17-V60 HydrophobicContact CD2-CG1 4.48Å; F17-M175 HydrophobicContact CD2-SD 4.26Å; F17-M175 HydrophobicContact CE2-CB 3.93Å; F17-M175 HydrophobicContact CE2-SD 4.43Å; F17-I176 HydrophobicContact CE2-CB 4.42Å; F17-I176 HydrophobicContact CZ-CB 4.12Å; F17-I176 HydrophobicContact CZ-CD1 3.95Å; F17-I176 HydrophobicContact CZ-CG1 4.48Å; F17-I176 HydrophobicContact CZ-CG2 4.39Å; F17-A277 HydrophobicContact CE1-CB 4.35Å
18	L	88	Confident	81.1	Confident	45 Å²	45	61.9 Å²	61.9	24%	0.236	33%	0.333	C	S	.	.	H	α-helix	trans	-61	-45.7	-179.9	178.6	61.3	0	0	0	111.9	Q14 W15 Q21 L22 F276 L280	Q14-L18 WeakPolarHBondContact O-CB 3.5Å; Q14-L18 PolarHBondContact O-N 3.05Å; W15-L18 HydrophobicContact CE3-CD2 4.1Å; W15-L18 HydrophobicContact CZ3-CD2 3.85Å; W15-L18 PolarHBondContact O-N 3.1Å; L18-Q21 PolarHBondContact O-N 2.9Å; L18-L22 HydrophobicContact CG-CD1 4.49Å; L18-L22 WeakPolarHBondContact O-CG 3.28Å; L18-L22 PolarHBondContact O-N 3.06Å; L18-F276 HydrophobicContact CD1-CE1 3.8Å; L18-F276 HydrophobicContact CD1-CZ 3.92Å; L18-L280 HydrophobicContact CD1-CD2 4.24Å
19	I	90.3	Very high	84.2	Confident	84 Å²	84	60.1 Å²	60.1	43%	0.431	32%	0.32	S	S	.	.	H	α-helix	trans	-60.7	-47.6	178.4	-71	166.4	0	0	0	110.2	W15 A16 F17 Q21 L22 F23	W15-I19 WeakPolarHBondContact O-CB 3.36Å; W15-I19 VanDerWaalsContact O-CG1 3.24Å; W15-I19 WeakPolarHBondContact O-CG1 3.38Å; W15-I19 PolarHBondContact O-N 3.38Å; A16-I19 PolarHBondContact O-N 3.1Å; F17-I19 PolarHBondContact O-N 2.96Å; I19-Q21 VanDerWaalsContact C-N 3.33Å; I19-Q21 PolarHBondContact O-N 3.01Å; I19-L22 PolarHBondContact O-N 3.07Å; I19-L22 VanDerWaalsContact O-N 3.14Å; I19-F23 HydrophobicContact CG2-CD2 3.68Å; I19-F23 HydrophobicContact CG2-CE2 3.38Å; I19-F23 WeakPolarHBondContact O-CD2 3.44Å; I19-F23 PolarHBondContact O-N 3.11Å
20	C	91.3	Very high	86.6	Confident	5 Å²	5	57.8 Å²	57.8	3%	0.034	31%	0.306	C	S	.	.	H	α-helix	trans	-62.6	-39.9	177.7	-69.6	0	0	0	0	111.9	A16 F17 L22 F23 T24 M56 V60 M175	A16-C20 WeakPolarHBondContact O-CB 3.33Å; A16-C20 PolarHBondContact O-N 3.31Å; A16-C20 PolarHBondContact O-SG 2.86Å; F17-C20 PolarHBondContact O-N 3.3Å; C20-L22 VanDerWaalsContact C-N 3.33Å; C20-L22 PolarHBondContact O-N 2.9Å; C20-F23 WeakPolarHBondContact O-CB 3.41Å; C20-F23 PolarHBondContact O-N 3.33Å; C20-F23 VanDerWaalsContact O-N 3.15Å; C20-T24 WeakPolarHBondContact O-CG2 3.12Å; C20-T24 PolarHBondContact O-N 2.76Å; C20-M56 HydrophobicContact CB-CB 4.44Å; C20-V60 HydrophobicContact CB-CG2 3.6Å; C20-V60 WeakPolarHBondContact SG-CG2 3.46Å; C20-M175 HydrophobicContact CB-CE 3.88Å; C20-M175 HydrophobicContact CB-SD 4.11Å
21	Q	89.2	Confident	88.3	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.009	29%	0.294	C	S	.	.	H	α-helix	trans	-62.7	-37.9	174	-70.4	-70.8	-2.3	0	0	112.1	F17 L18 I19 T24 M175 L280	F17-Q21 HydrophobicContact CD1-CG 4.11Å; F17-Q21 HydrophobicContact CE1-CG 3.72Å; F17-Q21 HydrophobicContact CE2-CG 4.23Å; F17-Q21 HydrophobicContact CZ-CG 3.78Å; F17-Q21 VanDerWaalsContact CZ-NE2 3.28Å; F17-Q21 WeakPolarHBondContact O-CB 3.33Å; F17-Q21 VanDerWaalsContact O-CG 3.23Å; F17-Q21 WeakPolarHBondContact O-CG 3.48Å; F17-Q21 PolarHBondContact O-N 2.97Å; L18-Q21 PolarHBondContact O-N 2.9Å; I19-Q21 VanDerWaalsContact C-N 3.33Å; I19-Q21 PolarHBondContact O-N 3.01Å; Q21-T24 WeakPolarHBondContact O-CB 3.39Å; Q21-T24 PolarHBondContact O-N 3.35Å; Q21-T24 PolarHBondContact O-OG1 3.27Å; Q21-M175 HydrophobicContact CG-CE 4.01Å; Q21-L280 HydrophobicContact CB-CD2 3.46Å; Q21-L280 VanDerWaalsContact CB-CD2 3.46Å; Q21-L280 HydrophobicContact CB-CG 4.11Å; Q21-L280 HydrophobicContact CG-CD2 4.3Å
22	L	92.1	Very high	89.5	Confident	86 Å²	86	53.8 Å²	53.8	45%	0.45	28%	0.279	S	S	.	.	H	α-helix	trans	-66.4	-37.6	172.8	-66.9	172.7	0	0	0	111.9	L18 I19 C20 T24 L25 L280	L18-L22 HydrophobicContact CG-CD1 4.49Å; L18-L22 WeakPolarHBondContact O-CG 3.28Å; L18-L22 PolarHBondContact O-N 3.06Å; I19-L22 PolarHBondContact O-N 3.07Å; I19-L22 VanDerWaalsContact O-N 3.14Å; C20-L22 VanDerWaalsContact C-N 3.33Å; C20-L22 PolarHBondContact O-N 2.9Å; L22-T24 PolarHBondContact O-N 3.06Å; L22-L25 HydrophobicContact CD2-CD1 4.17Å; L22-L25 WeakPolarHBondContact O-CB 2.9Å; L22-L25 PolarHBondContact O-N 3.26Å; L22-L25 VanDerWaalsContact O-N 3.11Å; L22-L280 HydrophobicContact CD2-CD1 4.44Å
23	F	94.2	Very high	90.5	Very high	105 Å²	105	56.9 Å²	56.9	46%	0.461	28%	0.281	S	S	.	.	H	α-helix	trans	-62.5	-28.2	173	-79.1	-67.4	0	0	0	113	I19 C20 L25 L26 A27 M56	I19-F23 HydrophobicContact CG2-CD2 3.68Å; I19-F23 HydrophobicContact CG2-CE2 3.38Å; I19-F23 WeakPolarHBondContact O-CD2 3.44Å; I19-F23 PolarHBondContact O-N 3.11Å; C20-F23 WeakPolarHBondContact O-CB 3.41Å; C20-F23 PolarHBondContact O-N 3.33Å; C20-F23 VanDerWaalsContact O-N 3.15Å; F23-L25 PolarHBondContact O-N 3.02Å; F23-L26 HydrophobicContact CD1-CD1 3.93Å; F23-L26 HydrophobicContact CE1-CD1 4.27Å; F23-L26 PolarHBondContact O-N 3.4Å; F23-L26 VanDerWaalsContact O-N 3.16Å; F23-A27 WeakPolarHBondContact O-CB 3.23Å; F23-A27 PolarHBondContact O-N 3.14Å; F23-M56 HydrophobicContact CB-CE 3.87Å
24	T	95.2	Very high	91.6	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61	-32.7	173.5	69.7	0	0	0	0	112.4	C20 Q21 L22 A27 G28 M56 F171 M175 S284	C20-T24 WeakPolarHBondContact O-CG2 3.12Å; C20-T24 PolarHBondContact O-N 2.76Å; Q21-T24 WeakPolarHBondContact O-CB 3.39Å; Q21-T24 PolarHBondContact O-N 3.35Å; Q21-T24 PolarHBondContact O-OG1 3.27Å; L22-T24 PolarHBondContact O-N 3.06Å; T24-A27 PolarHBondContact O-N 3.35Å; T24-G28 PolarHBondContact O-N 3.36Å; T24-M56 HydrophobicContact CG2-CE 4.23Å; T24-M56 HydrophobicContact CG2-SD 3.55Å; T24-M56 VanDerWaalsContact CG2-SD 3.55Å; T24-F171 HydrophobicContact CG2-CD2 4.17Å; T24-F171 VanDerWaalsContact CG2-O 3.3Å; T24-F171 WeakPolarHBondContact CG2-O 3.46Å; T24-F171 VanDerWaalsContact O-CE2 3.25Å; T24-F171 WeakPolarHBondContact O-CE2 3.41Å; T24-M175 HydrophobicContact CG2-CE 4.21Å; T24-S284 WeakPolarHBondContact OG1-CB 3.24Å; T24-S284 PolarHBondContact OG1-OG 3.44Å
25	L	95.2	Very high	92.4	Very high	34 Å²	34	53.5 Å²	53.5	18%	0.178	28%	0.275	C	S	.	.	H	α-helix	trans	-65.5	-42.9	175.2	-62.8	167.2	0	0	0	111	L22 F23 G28 C29 L280 L283 S284 V287	L22-L25 HydrophobicContact CD2-CD1 4.17Å; L22-L25 WeakPolarHBondContact O-CB 2.9Å; L22-L25 PolarHBondContact O-N 3.26Å; L22-L25 VanDerWaalsContact O-N 3.11Å; F23-L25 PolarHBondContact O-N 3.02Å; L25-G28 PolarHBondContact O-N 3.27Å; L25-C29 PolarHBondContact O-N 2.67Å; L25-L280 HydrophobicContact CD1-CD1 4Å; L25-L280 HydrophobicContact CG-CD1 4.48Å; L25-L283 HydrophobicContact CD1-CD2 4.48Å; L25-L283 HydrophobicContact CD2-CB 4.22Å; L25-L283 HydrophobicContact CD2-CD2 3.85Å; L25-L283 HydrophobicContact CD2-CG 3.68Å; L25-S284 WeakPolarHBondContact CD2-OG 3.34Å; L25-V287 HydrophobicContact CD2-CG2 4.12Å; L25-V287 WeakPolarHBondContact O-CG1 3.31Å
26	L	95.3	Very high	93.1	Very high	107 Å²	107	52.1 Å²	52.1	56%	0.56	28%	0.278	S	S	*	.	H	α-helix	trans	-65.3	-47.3	176.2	-65.9	176.1	0	0	0	111	F23 G28 C29 V30	F23-L26 HydrophobicContact CD1-CD1 3.93Å; F23-L26 HydrophobicContact CE1-CD1 4.27Å; F23-L26 PolarHBondContact O-N 3.4Å; F23-L26 VanDerWaalsContact O-N 3.16Å; L26-G28 VanDerWaalsContact C-N 3.29Å; L26-G28 PolarHBondContact O-N 2.74Å; L26-C29 WeakPolarHBondContact O-CB 3.49Å; L26-C29 PolarHBondContact O-N 3.33Å; L26-C29 VanDerWaalsContact O-N 3.13Å; L26-V30 WeakPolarHBondContact O-CG2 3.32Å; L26-V30 PolarHBondContact O-N 2.93Å
27	A	96.6	Very high	93.5	Very high	12 Å²	12	52.8 Å²	52.8	10%	0.099	28%	0.28	C	S	.	.	H	α-helix	trans	-58.3	-41	176.1	0	0	0	0	0	111.8	F23 T24 V30 M31 F48 M56 F171	F23-A27 WeakPolarHBondContact O-CB 3.23Å; F23-A27 PolarHBondContact O-N 3.14Å; T24-A27 PolarHBondContact O-N 3.35Å; A27-V30 PolarHBondContact O-N 3.06Å; A27-M31 WeakPolarHBondContact O-CB 3.08Å; A27-M31 PolarHBondContact O-N 3.09Å; A27-F48 HydrophobicContact CB-CE1 4.17Å; A27-F48 HydrophobicContact CB-CZ 4.11Å; A27-F48 WeakPolarHBondContact O-CE1 3.48Å; A27-F48 WeakPolarHBondContact O-CZ 3.46Å; A27-M56 HydrophobicContact CB-CE 3.83Å; A27-F171 HydrophobicContact CB-CD1 4.49Å; A27-F171 HydrophobicContact CB-CD2 3.8Å; A27-F171 HydrophobicContact CB-CE1 4.48Å; A27-F171 HydrophobicContact CB-CE2 3.79Å; A27-F171 HydrophobicContact CB-CG 4.2Å; A27-F171 HydrophobicContact CB-CZ 4.16Å
28	G	96.3	Very high	93.9	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.7	-43.9	173.8	0	0	0	0	0	113	T24 L25 L26 R32	T24-G28 PolarHBondContact O-N 3.36Å; L25-G28 PolarHBondContact O-N 3.27Å; L26-G28 VanDerWaalsContact C-N 3.29Å; L26-G28 PolarHBondContact O-N 2.74Å; G28-R32 VanDerWaalsContact O-CB 3.28Å; G28-R32 WeakPolarHBondContact O-CB 3.29Å; G28-R32 PolarHBondContact O-N 3.3Å
29	C	95.4	Very high	94.1	Very high	57 Å²	57	52.8 Å²	52.8	39%	0.385	29%	0.294	S	S	.	.	H	α-helix	trans	-60.4	-45.7	174.3	-78.5	0	0	0	0	112.1	L25 L26 K33 V287	L25-C29 PolarHBondContact O-N 2.67Å; L26-C29 WeakPolarHBondContact O-CB 3.49Å; L26-C29 PolarHBondContact O-N 3.33Å; L26-C29 VanDerWaalsContact O-N 3.13Å; C29-K33 WeakPolarHBondContact O-CB 3.24Å; C29-K33 WeakPolarHBondContact O-CG 3.22Å; C29-K33 PolarHBondContact O-N 2.89Å; C29-V287 HydrophobicContact CB-CG1 4.4Å; C29-V287 WeakPolarHBondContact SG-CG1 3.36Å
30	V	96.5	Very high	94.4	Very high	66 Å²	66	56.4 Å²	56.4	40%	0.4	31%	0.309	S	S	.	.	H	α-helix	trans	-63.5	-50.8	178.7	174.8	0	0	0	0	110.5	L26 A27 R32 K33 C34 F48	L26-V30 WeakPolarHBondContact O-CG2 3.32Å; L26-V30 PolarHBondContact O-N 2.93Å; A27-V30 PolarHBondContact O-N 3.06Å; V30-R32 VanDerWaalsContact C-N 3.29Å; V30-R32 PolarHBondContact O-N 3.2Å; V30-K33 PolarHBondContact O-N 3.49Å; V30-C34 HydrophobicContact CG1-CB 4.24Å; V30-C34 WeakPolarHBondContact O-CA 3.3Å; V30-C34 WeakPolarHBondContact O-CB 3.46Å; V30-C34 PolarHBondContact O-N 3.33Å; V30-F48 HydrophobicContact CB-CZ 4.19Å; V30-F48 HydrophobicContact CG1-CE2 3.94Å; V30-F48 HydrophobicContact CG1-CZ 4.11Å
31	M	95.8	Very high	94.6	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-57.6	-44.9	-178.9	-165.8	-165.8	-174.2	0	0	111.5	A27 I35 R45 F48 E49 F171 F188 I189	A27-M31 WeakPolarHBondContact O-CB 3.08Å; A27-M31 PolarHBondContact O-N 3.09Å; M31-I35 CarbonylContact O-C 3.56Å; M31-I35 VanDerWaalsContact O-C 3.24Å; M31-I35 WeakPolarHBondContact O-CA 3.3Å; M31-I35 PolarHBondContact O-N 2.92Å; M31-I35 VanDerWaalsContact O-N 3.13Å; M31-R45 HydrophobicContact CE-CB 3.78Å; M31-R45 HydrophobicContact CE-CG 4.09Å; M31-R45 PolarHBondContact O-NH1 3.2Å; M31-F48 HydrophobicContact CB-CD1 3.86Å; M31-F48 HydrophobicContact CB-CE1 3.62Å; M31-F48 HydrophobicContact CB-CZ 4.32Å; M31-F48 HydrophobicContact CG-CD1 3.77Å; M31-F48 HydrophobicContact CG-CE1 4.08Å; M31-F48 HydrophobicContact SD-CD1 4.3Å; M31-E49 HydrophobicContact CE-CG 3.66Å; M31-E49 WeakPolarHBondContact CE-OE1 3.41Å; M31-E49 HydrophobicContact SD-CG 4.5Å; M31-F171 HydrophobicContact SD-CE1 3.84Å; M31-F171 HydrophobicContact SD-CZ 4.3Å; M31-F188 HydrophobicContact CE-CE1 3.82Å; M31-F188 HydrophobicContact CE-CZ 3.99Å; M31-F188 HydrophobicContact SD-CE1 4.15Å; M31-F188 HydrophobicContact SD-CZ 3.84Å; M31-I189 HydrophobicContact CE-CD1 3.69Å
32	R	93	Very high	95	Very high	56 Å²	56	57.9 Å²	57.9	21%	0.211	32%	0.318	C	S	.	.	H	α-helix	trans	-66.4	-43.4	-179.1	-177.9	175.6	175.3	153.8	10.9	112.9	G28 V30 L214 S215 V287	G28-R32 VanDerWaalsContact O-CB 3.28Å; G28-R32 WeakPolarHBondContact O-CB 3.29Å; G28-R32 PolarHBondContact O-N 3.3Å; V30-R32 VanDerWaalsContact C-N 3.29Å; V30-R32 PolarHBondContact O-N 3.2Å; R32-L214 PolarHBondContact NH1-O 3.05Å; R32-L214 VanDerWaalsContact NH2-C 3.32Å; R32-L214 PolarHBondContact NH2-O 3.43Å; R32-S215 VanDerWaalsContact NH2-N 3.17Å; R32-V287 VanDerWaalsContact CD-O 3.3Å; R32-V287 WeakPolarHBondContact CD-O 3.49Å
33	K	93.6	Very high	95.2	Very high	173 Å²	173	61.1 Å²	61.1	75%	0.752	33%	0.328	S	S	*	.	H	α-helix	trans	-84.3	-41.8	-175	-69.8	-176.5	177.6	-176.3	0	113.1	C29 V30	C29-K33 WeakPolarHBondContact O-CB 3.24Å; C29-K33 WeakPolarHBondContact O-CG 3.22Å; C29-K33 PolarHBondContact O-N 2.89Å; V30-K33 PolarHBondContact O-N 3.49Å
34	C	96.1	Very high	95.4	Very high	93 Å²	93	64.3 Å²	64.3	63%	0.628	34%	0.337	S	S	*	.	H	α-helix	trans	-92.9	-21.4	-171.5	-58.3	0	0	0	0	113.1	V30	V30-C34 HydrophobicContact CG1-CB 4.24Å; V30-C34 WeakPolarHBondContact O-CA 3.3Å; V30-C34 WeakPolarHBondContact O-CB 3.46Å; V30-C34 PolarHBondContact O-N 3.33Å
35	I	96.3	Very high	95.5	Very high	25 Å²	25	64.4 Å²	64.4	13%	0.128	34%	0.337	C	S	.	.	S	Bend	trans	-134.7	66.4	-176.7	-39.7	177.3	0	0	0	109.5	M31 N41 R44 R45 F48	M31-I35 CarbonylContact O-C 3.56Å; M31-I35 VanDerWaalsContact O-C 3.24Å; M31-I35 WeakPolarHBondContact O-CA 3.3Å; M31-I35 PolarHBondContact O-N 2.92Å; M31-I35 VanDerWaalsContact O-N 3.13Å; I35-N41 HydrophobicContact CG2-CB 4.06Å; I35-R44 HydrophobicContact CG2-CB 3.74Å; I35-R45 HydrophobicContact CB-CG 4.13Å; I35-R45 HydrophobicContact CG2-CG 3.43Å; I35-R45 VanDerWaalsContact CG2-CG 3.43Å; I35-R45 WeakPolarHBondContact O-CD 3.25Å; I35-R45 PolarHBondContact O-NH1 2.92Å; I35-F48 HydrophobicContact CD1-CB 3.86Å; I35-F48 HydrophobicContact CD1-CD2 3.89Å; I35-F48 HydrophobicContact CD1-CG 3.96Å
36	P	94.1	Very high	95.6	Very high	65 Å²	65	62.9 Å²	62.9	42%	0.422	33%	0.329	S	S	.	.			trans	-56.2	146.3	-172.9	23	-33.2	0	0	0	112.1	C38 N41	P36-C38 PolarHBondContact O-N 2.94Å; P36-N41 WeakPolarHBondContact O-CB 3.4Å; P36-N41 PolarHBondContact O-ND2 3.45Å
37	P	94.5	Very high	95.8	Very high	42 Å²	42	62.2 Å²	62.2	27%	0.273	33%	0.326	S	S	.	.	S	Bend	trans	-69.1	114.4	-175.9	29.8	-34.9	0	0	0	111
38	C	93.5	Very high	95.8	Very high	34 Å²	34	63.9 Å²	63.9	23%	0.23	33%	0.331	C	S	.	.	S	Bend	trans	-161.8	166.5	173.1	68.9	0	0	0	0	109.9	P36 E40 N41 S42 Q190	P36-C38 PolarHBondContact O-N 2.94Å; C38-E40 VanDerWaalsContact C-N 3.31Å; C38-E40 WeakPolarHBondContact CB-OE2 3.42Å; C38-E40 PolarHBondContact O-N 3.2Å; C38-E40 PolarHBondContact SG-OE2 3.05Å; C38-N41 PolarHBondContact O-N 3.37Å; C38-N41 PolarHBondContact SG-N 3.23Å; C38-N41 VanDerWaalsContact SG-N 3.41Å; C38-N41 PolarHBondContact SG-ND2 3.36Å; C38-N41 VanDerWaalsContact SG-ND2 3.4Å; C38-S42 PolarHBondContact O-N 2.82Å; C38-Q190 CarbonylContact C-O 3.54Å; C38-Q190 WeakPolarHBondContact CA-O 3.39Å
39	A	92.8	Very high	95.9	Very high	63 Å²	63	63.9 Å²	63.9	52%	0.521	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-38.6	179	0	0	0	0	0	112.4	N41 S42	A39-N41 VanDerWaalsContact C-N 3.32Å; A39-N41 PolarHBondContact O-N 3.35Å; A39-S42 VanDerWaalsContact O-CB 3.25Å; A39-S42 WeakPolarHBondContact O-CB 3.38Å; A39-S42 PolarHBondContact O-N 3.39Å
40	E	95	Very high	96	Very high	159 Å²	159	64 Å²	64	74%	0.743	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-35.8	-179.6	-58.1	77.9	-165	0	0	112	C38	C38-E40 VanDerWaalsContact C-N 3.31Å; C38-E40 WeakPolarHBondContact CB-OE2 3.42Å; C38-E40 PolarHBondContact O-N 3.2Å; C38-E40 PolarHBondContact SG-OE2 3.05Å
41	N	96.4	Very high	96.1	Very high	24 Å²	24	64 Å²	64	13%	0.128	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-4	179.5	-76.6	-30.6	0	0	0	113.7	I35 P36 C38 A39 K43 R44 R45	I35-N41 HydrophobicContact CG2-CB 4.06Å; P36-N41 WeakPolarHBondContact O-CB 3.4Å; P36-N41 PolarHBondContact O-ND2 3.45Å; C38-N41 PolarHBondContact O-N 3.37Å; C38-N41 PolarHBondContact SG-N 3.23Å; C38-N41 VanDerWaalsContact SG-N 3.41Å; C38-N41 PolarHBondContact SG-ND2 3.36Å; C38-N41 VanDerWaalsContact SG-ND2 3.4Å; A39-N41 VanDerWaalsContact C-N 3.32Å; A39-N41 PolarHBondContact O-N 3.35Å; N41-K43 VanDerWaalsContact C-N 3.3Å; N41-K43 PolarHBondContact O-N 2.91Å; N41-R44 WeakPolarHBondContact O-CA 3.49Å; N41-R44 WeakPolarHBondContact O-CB 3.39Å; N41-R44 PolarHBondContact O-N 2.83Å; N41-R45 HydrophobicContact CB-CG 4.44Å; N41-R45 PolarHBondContact O-N 3.47Å
42	S	96.3	Very high	96.1	Very high	15 Å²	15	64.7 Å²	64.7	11%	0.105	33%	0.33	C	S	.	.	H	α-helix	trans	-50.4	-47	-175.4	168.2	0	0	0	0	112.8	C38 A39 R44 R45 H46	C38-S42 PolarHBondContact O-N 2.82Å; A39-S42 VanDerWaalsContact O-CB 3.25Å; A39-S42 WeakPolarHBondContact O-CB 3.38Å; A39-S42 PolarHBondContact O-N 3.39Å; S42-R44 PolarHBondContact O-N 3.43Å; S42-R45 PolarHBondContact O-N 3.07Å; S42-H46 PolarHBondContact O-CD2 3.33Å; S42-H46 PolarHBondContact O-N 2.77Å; S42-H46 PolarHBondContact OG-CD2 3.35Å; S42-H46 PolarHBondContact OG-NE2 3.43Å
43	K	97.1	Very high	96.3	Very high	154 Å²	154	62 Å²	62	67%	0.67	32%	0.32	S	S	*	.	H	α-helix	trans	-59.9	-44.9	177.4	-69.2	-178.3	-177.2	174.4	0	112.3	N41 L47 L162	N41-K43 VanDerWaalsContact C-N 3.3Å; N41-K43 PolarHBondContact O-N 2.91Å; K43-L47 WeakPolarHBondContact O-CB 3.4Å; K43-L47 PolarHBondContact O-N 3.47Å; K43-L162 HydrophobicContact CB-CD2 4.47Å
44	R	97.6	Very high	96.5	Very high	172 Å²	172	56.9 Å²	56.9	65%	0.649	30%	0.298	S	S	*	.	H	α-helix	trans	-65.8	-41.5	-179.8	-67.8	179.7	175.9	177	-2.3	111.2	I35 N41 S42 L47 F48	I35-R44 HydrophobicContact CG2-CB 3.74Å; N41-R44 WeakPolarHBondContact O-CA 3.49Å; N41-R44 WeakPolarHBondContact O-CB 3.39Å; N41-R44 PolarHBondContact O-N 2.83Å; S42-R44 PolarHBondContact O-N 3.43Å; R44-L47 PolarHBondContact O-N 2.96Å; R44-F48 WeakPolarHBondContact O-CB 3.26Å; R44-F48 PolarHBondContact O-N 3.07Å
45	R	98.1	Very high	96.5	Very high	1 Å²	1	56.9 Å²	56.9	0%	0.004	29%	0.291	C	S	.	.	H	α-helix	trans	-66.2	-46	177.6	-70.5	177.1	65.1	79.5	-1.1	111.8	M31 I35 N41 S42 L47 F48 E49 F188 I189	M31-R45 HydrophobicContact CE-CB 3.78Å; M31-R45 HydrophobicContact CE-CG 4.09Å; M31-R45 PolarHBondContact O-NH1 3.2Å; I35-R45 HydrophobicContact CB-CG 4.13Å; I35-R45 HydrophobicContact CG2-CG 3.43Å; I35-R45 VanDerWaalsContact CG2-CG 3.43Å; I35-R45 WeakPolarHBondContact O-CD 3.25Å; I35-R45 PolarHBondContact O-NH1 2.92Å; N41-R45 HydrophobicContact CB-CG 4.44Å; N41-R45 PolarHBondContact O-N 3.47Å; S42-R45 PolarHBondContact O-N 3.07Å; R45-L47 VanDerWaalsContact C-N 3.33Å; R45-L47 PolarHBondContact O-N 3.37Å; R45-F48 PolarHBondContact O-N 3.37Å; R45-E49 WeakPolarHBondContact O-CG 3.36Å; R45-E49 PolarHBondContact O-N 2.87Å; R45-F188 PolarHBondContact NH2-O 3.37Å; R45-I189 HydrophobicContact CB-CD1 3.74Å; R45-I189 HydrophobicContact CB-CG2 3.93Å; R45-I189 WeakPolarHBondContact CD-O 3.43Å; R45-I189 PolarHBondContact NE-O 2.68Å
46	H	98.1	Very high	96.3	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.009	29%	0.289	C	S	.	.	H	α-helix	trans	-60.9	-41.4	174.8	-70.5	-54.6	0	0	0	112.6	S42 F50 L162 Y185	S42-H46 PolarHBondContact O-CD2 3.33Å; S42-H46 PolarHBondContact O-N 2.77Å; S42-H46 PolarHBondContact OG-CD2 3.35Å; S42-H46 PolarHBondContact OG-NE2 3.43Å; H46-F50 WeakPolarHBondContact O-CB 3.42Å; H46-F50 PolarHBondContact O-N 3.45Å; H46-L162 HydrophobicContact CB-CD1 4.19Å; H46-L162 HydrophobicContact CB-CD2 4.28Å; H46-L162 HydrophobicContact CB-CG 3.77Å; H46-Y185 AromaticContact CE1-CE1 3.42Å; H46-Y185 VanDerWaalsContact CE1-CE1 3.42Å; H46-Y185 WeakPolarHBondContact CE1-CE1 3.38Å; H46-Y185 AromaticContact CE1-CZ 3.89Å; H46-Y185 AromaticContact ND1-CE1 3.44Å; H46-Y185 WeakPolarHBondContact ND1-CE1 3.49Å; H46-Y185 AromaticContact ND1-CZ 3.49Å; H46-Y185 PolarHBondContact ND1-OH 3.18Å
47	L	98	Very high	96.3	Very high	93 Å²	93	53.4 Å²	53.4	49%	0.487	27%	0.269	S	S	.	.	H	α-helix	trans	-64.7	-43.3	176.6	-177.2	62.9	0	0	0	111.3	K43 R44 R45 F50 V51 L162	K43-L47 WeakPolarHBondContact O-CB 3.4Å; K43-L47 PolarHBondContact O-N 3.47Å; R44-L47 PolarHBondContact O-N 2.96Å; R45-L47 VanDerWaalsContact C-N 3.33Å; R45-L47 PolarHBondContact O-N 3.37Å; L47-F50 PolarHBondContact O-N 3.46Å; L47-V51 HydrophobicContact CD1-CG2 3.93Å; L47-V51 HydrophobicContact CG-CG2 4.32Å; L47-V51 WeakPolarHBondContact O-CB 3.47Å; L47-V51 VanDerWaalsContact O-CG2 3.31Å; L47-V51 WeakPolarHBondContact O-CG2 3.49Å; L47-V51 PolarHBondContact O-N 2.93Å; L47-L162 HydrophobicContact CB-CD1 4.35Å; L47-L162 HydrophobicContact CD1-CD1 4.43Å
48	F	98.1	Very high	96.2	Very high	48 Å²	48	57 Å²	57	21%	0.211	28%	0.278	C	S	.	.	H	α-helix	trans	-60.9	-48	176.5	-175.9	-89.8	0	0	0	111.6	A27 V30 M31 I35 R44 R45 F50 V51 S52 F171	A27-F48 HydrophobicContact CB-CE1 4.17Å; A27-F48 HydrophobicContact CB-CZ 4.11Å; A27-F48 WeakPolarHBondContact O-CE1 3.48Å; A27-F48 WeakPolarHBondContact O-CZ 3.46Å; V30-F48 HydrophobicContact CB-CZ 4.19Å; V30-F48 HydrophobicContact CG1-CE2 3.94Å; V30-F48 HydrophobicContact CG1-CZ 4.11Å; M31-F48 HydrophobicContact CB-CD1 3.86Å; M31-F48 HydrophobicContact CB-CE1 3.62Å; M31-F48 HydrophobicContact CB-CZ 4.32Å; M31-F48 HydrophobicContact CG-CD1 3.77Å; M31-F48 HydrophobicContact CG-CE1 4.08Å; M31-F48 HydrophobicContact SD-CD1 4.3Å; I35-F48 HydrophobicContact CD1-CB 3.86Å; I35-F48 HydrophobicContact CD1-CD2 3.89Å; I35-F48 HydrophobicContact CD1-CG 3.96Å; R44-F48 WeakPolarHBondContact O-CB 3.26Å; R44-F48 PolarHBondContact O-N 3.07Å; R45-F48 PolarHBondContact O-N 3.37Å; F48-F50 PolarHBondContact O-N 3.17Å; F48-V51 PolarHBondContact O-N 3.48Å; F48-S52 VanDerWaalsContact O-CB 3.28Å; F48-S52 WeakPolarHBondContact O-CB 3.11Å; F48-S52 PolarHBondContact O-N 2.75Å; F48-S52 PolarHBondContact O-OG 3.22Å; F48-F171 HydrophobicContact CD1-CD1 4.45Å; F48-F171 HydrophobicContact CD1-CE1 4.16Å; F48-F171 HydrophobicContact CE1-CD1 4.21Å; F48-F171 AromaticContact CE1-CE1 3.85Å; F48-F171 HydrophobicContact CE1-CE1 3.85Å
49	E	97.9	Very high	96.2	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-54.6	-52.2	174.8	-74.7	-70	176.9	0	0	111.4	M31 R45 S52 G53 S170 F171 H172 Y185 I189	M31-E49 HydrophobicContact CE-CG 3.66Å; M31-E49 WeakPolarHBondContact CE-OE1 3.41Å; M31-E49 HydrophobicContact SD-CG 4.5Å; R45-E49 WeakPolarHBondContact O-CG 3.36Å; R45-E49 PolarHBondContact O-N 2.87Å; E49-S52 PolarHBondContact O-OG 3.15Å; E49-G53 PolarHBondContact O-N 2.94Å; E49-S170 WeakPolarHBondContact OE2-CA 3.48Å; E49-S170 VanDerWaalsContact OE2-CB 3.3Å; E49-S170 WeakPolarHBondContact OE2-CB 3.1Å; E49-F171 WeakPolarHBondContact OE2-CD1 3.46Å; E49-F171 WeakPolarHBondContact OE2-CE1 3.47Å; E49-F171 PolarHBondContact OE2-N 3.04Å; E49-H172 IonicContact OE1-CD2 3.33Å; E49-H172 IonicContact OE1-NE2 2.84Å; E49-H172 PolarHBondContact OE1-NE2 2.69Å; E49-H172 IonicContact OE2-CD2 2.69Å; E49-H172 IonicContact OE2-NE2 3.51Å; E49-Y185 HydrophobicContact CG-CE2 4.2Å; E49-I189 HydrophobicContact CG-CD1 4.05Å
50	F	98	Very high	96	Very high	59 Å²	59	58.9 Å²	58.9	26%	0.259	28%	0.277	S	S	.	.	H	α-helix	trans	-61.2	-50.9	-178	178.2	-110.9	0	0	0	112.2	H46 L47 F48 F54 F69 F169	H46-F50 WeakPolarHBondContact O-CB 3.42Å; H46-F50 PolarHBondContact O-N 3.45Å; L47-F50 PolarHBondContact O-N 3.46Å; F48-F50 PolarHBondContact O-N 3.17Å; F50-F54 WeakPolarHBondContact O-CB 3.19Å; F50-F54 PolarHBondContact O-N 3.39Å; F50-F69 HydrophobicContact CE2-CE1 4.29Å; F50-F69 HydrophobicContact CE2-CZ 4.32Å; F50-F69 HydrophobicContact CZ-CE1 4.24Å; F50-F69 HydrophobicContact CZ-CZ 4.25Å; F50-F169 HydrophobicContact CD2-CB 3.99Å; F50-F169 AromaticContact CD2-CD2 3.76Å; F50-F169 HydrophobicContact CD2-CD2 3.76Å; F50-F169 HydrophobicContact CD2-CG 4.01Å; F50-F169 AromaticContact CE2-CD2 3.67Å; F50-F169 HydrophobicContact CE2-CD2 3.67Å; F50-F169 AromaticContact CE2-CE2 4Å; F50-F169 HydrophobicContact CE2-CE2 4Å; F50-F169 HydrophobicContact CE2-CG 4.14Å
51	V	97.7	Very high	95.8	Very high	66 Å²	66	52.6 Å²	52.6	40%	0.4	25%	0.247	S	C	.	.	H	α-helix	trans	-66.1	-49.1	-176.5	172.2	0	0	0	0	110.8	L47 F48 F54 L55	L47-V51 HydrophobicContact CD1-CG2 3.93Å; L47-V51 HydrophobicContact CG-CG2 4.32Å; L47-V51 WeakPolarHBondContact O-CB 3.47Å; L47-V51 VanDerWaalsContact O-CG2 3.31Å; L47-V51 WeakPolarHBondContact O-CG2 3.49Å; L47-V51 PolarHBondContact O-N 2.93Å; F48-V51 PolarHBondContact O-N 3.48Å; V51-F54 PolarHBondContact O-N 3.12Å; V51-L55 HydrophobicContact CG1-CD1 3.83Å; V51-L55 HydrophobicContact CG1-CG 4.41Å; V51-L55 WeakPolarHBondContact O-CB 3.32Å; V51-L55 WeakPolarHBondContact O-CG 3.31Å; V51-L55 PolarHBondContact O-N 2.52Å
52	S	97	Very high	95.5	Very high	15 Å²	15	52.3 Å²	52.3	11%	0.105	25%	0.249	C	C	.	.	H	α-helix	trans	-64.4	-44.5	-178.1	58.8	0	0	0	0	112	F48 E49 L55 M56 F171	F48-S52 VanDerWaalsContact O-CB 3.28Å; F48-S52 WeakPolarHBondContact O-CB 3.11Å; F48-S52 PolarHBondContact O-N 2.75Å; F48-S52 PolarHBondContact O-OG 3.22Å; E49-S52 PolarHBondContact O-OG 3.15Å; S52-L55 PolarHBondContact O-N 2.77Å; S52-M56 VanDerWaalsContact O-CG 3.26Å; S52-M56 WeakPolarHBondContact O-CG 3.4Å; S52-M56 PolarHBondContact O-N 3.27Å; S52-F171 WeakPolarHBondContact OG-CB 3.5Å; S52-F171 VanDerWaalsContact OG-CD1 3.23Å; S52-F171 WeakPolarHBondContact OG-CD1 3.22Å
53	G	97	Very high	95.3	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-74.2	-31.5	179.5	0	0	0	0	0	113.9	E49 S57 F169	E49-G53 PolarHBondContact O-N 2.94Å; G53-S57 VanDerWaalsContact O-CB 3.27Å; G53-S57 WeakPolarHBondContact O-CB 3.42Å; G53-S57 PolarHBondContact O-N 3.28Å; G53-S57 PolarHBondContact O-OG 3.24Å; G53-F169 VanDerWaalsContact CA-O 3.28Å; G53-F169 WeakPolarHBondContact CA-O 3.3Å
54	F	96.6	Very high	95.1	Very high	65 Å²	65	51.2 Å²	51.2	29%	0.285	26%	0.255	S	S	.	.	H	α-helix	trans	-62.6	-49	169.5	172	-101.7	0	0	0	111.1	F50 V51 M56 S57 Y58 V65 F69 F169	F50-F54 WeakPolarHBondContact O-CB 3.19Å; F50-F54 PolarHBondContact O-N 3.39Å; V51-F54 PolarHBondContact O-N 3.12Å; F54-M56 PolarHBondContact O-N 3.2Å; F54-S57 PolarHBondContact O-N 3.43Å; F54-Y58 WeakPolarHBondContact O-CB 3.38Å; F54-Y58 PolarHBondContact O-N 2.63Å; F54-V65 HydrophobicContact CD2-CG2 4.23Å; F54-V65 HydrophobicContact CE2-CG1 3.91Å; F54-V65 HydrophobicContact CE2-CG2 4.27Å; F54-F69 AromaticContact CD2-CE2 3.85Å; F54-F69 HydrophobicContact CD2-CE2 3.85Å; F54-F69 AromaticContact CD2-CZ 3.85Å; F54-F69 HydrophobicContact CD2-CZ 3.85Å; F54-F69 AromaticContact CE2-CE2 3.72Å; F54-F69 HydrophobicContact CE2-CE2 3.72Å; F54-F69 AromaticContact CE2-CZ 3.98Å; F54-F69 HydrophobicContact CE2-CZ 3.98Å; F54-F169 HydrophobicContact CB-CD1 4.21Å; F54-F169 HydrophobicContact CD2-CE1 4.25Å
55	L	95.6	Very high	95	Very high	93 Å²	93	43.4 Å²	43.4	49%	0.487	23%	0.226	S	C	.	.	H	α-helix	trans	-59.5	-46.7	178.7	-72.5	172	0	0	0	111.5	V51 S52 S57 Y58 L59	V51-L55 HydrophobicContact CG1-CD1 3.83Å; V51-L55 HydrophobicContact CG1-CG 4.41Å; V51-L55 WeakPolarHBondContact O-CB 3.32Å; V51-L55 WeakPolarHBondContact O-CG 3.31Å; V51-L55 PolarHBondContact O-N 2.52Å; S52-L55 PolarHBondContact O-N 2.77Å; L55-S57 PolarHBondContact O-N 3.22Å; L55-Y58 PolarHBondContact O-N 3.31Å; L55-L59 VanDerWaalsContact O-CG 3.27Å; L55-L59 WeakPolarHBondContact O-CG 3.48Å; L55-L59 PolarHBondContact O-N 2.68Å
56	M	93.3	Very high	94.8	Very high	16 Å²	16	48.2 Å²	48.2	8%	0.079	25%	0.251	C	S	.	.	H	α-helix	trans	-62.1	-43.7	176.5	-70.1	172.5	-173.4	0	0	112.1	C20 F23 T24 A27 S52 F54 Y58 L59 V60 F171	C20-M56 HydrophobicContact CB-CB 4.44Å; F23-M56 HydrophobicContact CB-CE 3.87Å; T24-M56 HydrophobicContact CG2-CE 4.23Å; T24-M56 HydrophobicContact CG2-SD 3.55Å; T24-M56 VanDerWaalsContact CG2-SD 3.55Å; A27-M56 HydrophobicContact CB-CE 3.83Å; S52-M56 VanDerWaalsContact O-CG 3.26Å; S52-M56 WeakPolarHBondContact O-CG 3.4Å; S52-M56 PolarHBondContact O-N 3.27Å; F54-M56 PolarHBondContact O-N 3.2Å; M56-Y58 VanDerWaalsContact C-N 3.33Å; M56-Y58 PolarHBondContact O-N 2.91Å; M56-L59 PolarHBondContact O-N 2.96Å; M56-V60 WeakPolarHBondContact O-CG2 3.45Å; M56-V60 PolarHBondContact O-N 3.44Å; M56-V60 VanDerWaalsContact O-N 3.08Å; M56-F171 HydrophobicContact CE-CB 4.4Å; M56-F171 HydrophobicContact SD-CB 3.86Å
57	S	93.1	Very high	94.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64.1	-39.7	178	-57.6	0	0	0	0	111.5	G53 F54 L55 V60 Y61 V174	G53-S57 VanDerWaalsContact O-CB 3.27Å; G53-S57 WeakPolarHBondContact O-CB 3.42Å; G53-S57 PolarHBondContact O-N 3.28Å; G53-S57 PolarHBondContact O-OG 3.24Å; F54-S57 PolarHBondContact O-N 3.43Å; L55-S57 PolarHBondContact O-N 3.22Å; S57-V60 PolarHBondContact O-N 3.01Å; S57-Y61 WeakPolarHBondContact O-CB 3.25Å; S57-Y61 WeakPolarHBondContact O-CD2 3.49Å; S57-Y61 PolarHBondContact O-N 3.4Å; S57-V174 WeakPolarHBondContact OG-CG2 3.35Å
58	Y	93.9	Very high	94.7	Very high	119 Å²	119	46.2 Å²	46.2	47%	0.467	24%	0.239	S	C	.	.	H	α-helix	trans	-67.1	-37.5	175.7	-173.4	-97.4	0	0	0	112.1	F54 L55 M56 V60 G62 V65	F54-Y58 WeakPolarHBondContact O-CB 3.38Å; F54-Y58 PolarHBondContact O-N 2.63Å; L55-Y58 PolarHBondContact O-N 3.31Å; M56-Y58 VanDerWaalsContact C-N 3.33Å; M56-Y58 PolarHBondContact O-N 2.91Å; Y58-V60 VanDerWaalsContact C-N 3.34Å; Y58-V60 PolarHBondContact O-N 3.14Å; Y58-G62 WeakPolarHBondContact CD2-O 3.42Å; Y58-G62 WeakPolarHBondContact O-CA 3.36Å; Y58-G62 PolarHBondContact O-N 2.81Å; Y58-V65 HydrophobicContact CD2-CG1 3.85Å
59	L	91.8	Very high	94.6	Very high	116 Å²	116	46.9 Å²	46.9	61%	0.607	24%	0.242	S	C	*	.	H	α-helix	trans	-65.5	-35.3	175.8	-73.1	171.3	0	0	0	112.9	L55 M56	L55-L59 VanDerWaalsContact O-CG 3.27Å; L55-L59 WeakPolarHBondContact O-CG 3.48Å; L55-L59 PolarHBondContact O-N 2.68Å; M56-L59 PolarHBondContact O-N 2.96Å
60	V	89.8	Confident	94.6	Very high	20 Å²	20	49.9 Å²	49.9	12%	0.121	26%	0.26	C	S	.	.	H	α-helix	trans	-83	-46	179	179.3	0	0	0	0	112.2	F17 C20 M56 S57 Y58 M175	F17-V60 HydrophobicContact CB-CG1 4.31Å; F17-V60 HydrophobicContact CD2-CG1 4.48Å; C20-V60 HydrophobicContact CB-CG2 3.6Å; C20-V60 WeakPolarHBondContact SG-CG2 3.46Å; M56-V60 WeakPolarHBondContact O-CG2 3.45Å; M56-V60 PolarHBondContact O-N 3.44Å; M56-V60 VanDerWaalsContact O-N 3.08Å; S57-V60 PolarHBondContact O-N 3.01Å; Y58-V60 VanDerWaalsContact C-N 3.34Å; Y58-V60 PolarHBondContact O-N 3.14Å; V60-M175 HydrophobicContact CB-SD 4.36Å; V60-M175 HydrophobicContact CG2-SD 3.65Å
61	Y	89.6	Confident	94.6	Very high	27 Å²	27	47.1 Å²	47.1	11%	0.106	25%	0.248	C	C	.	.	H	α-helix	trans	-106.3	-7.5	-169.2	-52.5	-61.9	0	0	0	114.1	S57 L64 D114 I115 A118 M175	S57-Y61 WeakPolarHBondContact O-CB 3.25Å; S57-Y61 WeakPolarHBondContact O-CD2 3.49Å; S57-Y61 PolarHBondContact O-N 3.4Å; Y61-L64 WeakPolarHBondContact O-CB 3.47Å; Y61-L64 WeakPolarHBondContact O-CG 3.27Å; Y61-L64 PolarHBondContact O-N 3.21Å; Y61-D114 WeakPolarHBondContact CE1-O 3.32Å; Y61-I115 HydrophobicContact CD1-CD1 4.03Å; Y61-I115 HydrophobicContact CD2-CD1 3.39Å; Y61-I115 HydrophobicContact CE2-CD1 3.94Å; Y61-I115 HydrophobicContact CG-CD1 3.44Å; Y61-I115 VanDerWaalsContact CG-CD1 3.44Å; Y61-A118 HydrophobicContact CE2-CB 3.89Å; Y61-M175 HydrophobicContact CE2-CG 4.18Å
62	G	90.7	Very high	94.6	Very high	18 Å²	18	44.3 Å²	44.3	19%	0.186	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	58.4	-138.7	-177.2	0	0	0	0	0	112.5	Y58 L64 V65	Y58-G62 WeakPolarHBondContact CD2-O 3.42Å; Y58-G62 WeakPolarHBondContact O-CA 3.36Å; Y58-G62 PolarHBondContact O-N 2.81Å; G62-L64 PolarHBondContact O-N 3.14Å; G62-V65 PolarHBondContact O-N 3.47Å
63	P	92.6	Very high	94.6	Very high	98 Å²	98	48.2 Å²	48.2	64%	0.636	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-58	-20.5	179.8	-25.5	35.1	0	0	0	114.7	V65 I66	P63-V65 PolarHBondContact O-N 3.32Å; P63-V65 VanDerWaalsContact O-N 3.11Å; P63-I66 WeakPolarHBondContact O-CB 3.19Å; P63-I66 VanDerWaalsContact O-CG2 3.23Å; P63-I66 WeakPolarHBondContact O-CG2 3.45Å; P63-I66 PolarHBondContact O-N 3.45Å; P63-I66 VanDerWaalsContact O-N 3.12Å
64	L	92.8	Very high	94.6	Very high	48 Å²	48	50.1 Å²	50.1	25%	0.251	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-64.7	-16.7	-178.6	-56.3	174.2	0	0	0	113.2	Y61 G62 I66 H67 L113 I115	Y61-L64 WeakPolarHBondContact O-CB 3.47Å; Y61-L64 WeakPolarHBondContact O-CG 3.27Å; Y61-L64 PolarHBondContact O-N 3.21Å; G62-L64 PolarHBondContact O-N 3.14Å; L64-I66 PolarHBondContact O-N 3.02Å; L64-H67 WeakPolarHBondContact O-CB 3.45Å; L64-H67 PolarHBondContact O-CD2 3.31Å; L64-H67 VanDerWaalsContact O-CD2 3.32Å; L64-H67 PolarHBondContact O-N 3.33Å; L64-L113 HydrophobicContact CD1-CD1 3.27Å; L64-L113 HydrophobicContact CD1-CG 4.07Å; L64-L113 HydrophobicContact CD2-CD1 3.58Å; L64-L113 HydrophobicContact CG-CD1 4.04Å; L64-I115 HydrophobicContact CB-CB 4.08Å; L64-I115 HydrophobicContact CB-CG1 4.35Å; L64-I115 HydrophobicContact CB-CG2 4.44Å
65	V	94.5	Very high	94.7	Very high	7 Å²	7	47 Å²	47	4%	0.042	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-54.8	-23.2	172.1	76.2	0	0	0	0	112.3	F54 Y58 G62 P63 H67 M68 F69 F169	F54-V65 HydrophobicContact CD2-CG2 4.23Å; F54-V65 HydrophobicContact CE2-CG1 3.91Å; F54-V65 HydrophobicContact CE2-CG2 4.27Å; Y58-V65 HydrophobicContact CD2-CG1 3.85Å; G62-V65 PolarHBondContact O-N 3.47Å; P63-V65 PolarHBondContact O-N 3.32Å; P63-V65 VanDerWaalsContact O-N 3.11Å; V65-H67 PolarHBondContact O-N 3.1Å; V65-M68 HydrophobicContact CG2-SD 4.13Å; V65-M68 VanDerWaalsContact O-CB 3.31Å; V65-M68 WeakPolarHBondContact O-CB 3.42Å; V65-M68 PolarHBondContact O-N 2.93Å; V65-F69 HydrophobicContact CG2-CE2 4.49Å; V65-F169 HydrophobicContact CG2-CE1 4.06Å
66	I	95.6	Very high	94.8	Very high	103 Å²	103	44.7 Å²	44.7	53%	0.528	23%	0.234	S	C	.	.	H	α-helix	trans	-55.2	-33.3	174.3	-162.9	167.1	0	0	0	112.5	P63 L64 M68 F69 V70	P63-I66 WeakPolarHBondContact O-CB 3.19Å; P63-I66 VanDerWaalsContact O-CG2 3.23Å; P63-I66 WeakPolarHBondContact O-CG2 3.45Å; P63-I66 PolarHBondContact O-N 3.45Å; P63-I66 VanDerWaalsContact O-N 3.12Å; L64-I66 PolarHBondContact O-N 3.02Å; I66-M68 PolarHBondContact O-N 2.88Å; I66-F69 WeakPolarHBondContact O-CB 3.22Å; I66-F69 PolarHBondContact O-N 3.42Å; I66-V70 HydrophobicContact CG1-CG2 4.36Å; I66-V70 WeakPolarHBondContact O-CG2 3.42Å; I66-V70 PolarHBondContact O-N 3.29Å
67	H	95.8	Very high	94.9	Very high	51 Å²	51	47.7 Å²	47.7	24%	0.236	25%	0.25	C	S	.	.	H	α-helix	trans	-59.6	-31	176.9	-73.6	-78.1	0	0	0	112.2	L64 V65 F69 V70 Q71 Y98 I115 L119	L64-H67 WeakPolarHBondContact O-CB 3.45Å; L64-H67 PolarHBondContact O-CD2 3.31Å; L64-H67 VanDerWaalsContact O-CD2 3.32Å; L64-H67 PolarHBondContact O-N 3.33Å; V65-H67 PolarHBondContact O-N 3.1Å; H67-F69 VanDerWaalsContact C-N 3.34Å; H67-V70 PolarHBondContact O-N 3.41Å; H67-Q71 PolarHBondContact O-N 3.38Å; H67-Y98 WeakPolarHBondContact CA-OH 3.38Å; H67-Y98 HydrophobicContact CB-CE1 4.23Å; H67-Y98 AromaticContact ND1-CZ 3.73Å; H67-Y98 PolarHBondContact ND1-OH 3.3Å; H67-Y98 WeakPolarHBondContact O-CE1 3.18Å; H67-I115 HydrophobicContact CB-CG1 4.46Å; H67-L119 HydrophobicContact CB-CD1 4.16Å; H67-L119 HydrophobicContact CB-CD2 4.25Å
68	M	96.7	Very high	95.2	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-69.7	-32.5	176.3	-62.1	-174.8	71.5	0	0	112.6	V65 I66 A72 I115 A118 L119 Q122 F169 V174	V65-M68 HydrophobicContact CG2-SD 4.13Å; V65-M68 VanDerWaalsContact O-CB 3.31Å; V65-M68 WeakPolarHBondContact O-CB 3.42Å; V65-M68 PolarHBondContact O-N 2.93Å; I66-M68 PolarHBondContact O-N 2.88Å; M68-A72 WeakPolarHBondContact O-CB 3.29Å; M68-A72 PolarHBondContact O-N 3.07Å; M68-I115 HydrophobicContact CG-CD1 4.27Å; M68-I115 HydrophobicContact SD-CD1 4.37Å; M68-A118 HydrophobicContact CE-CB 4.25Å; M68-A118 HydrophobicContact SD-CB 3.99Å; M68-L119 HydrophobicContact CG-CD2 4.17Å; M68-Q122 PolarHBondContact O-NE2 2.95Å; M68-Q122 PolarHBondContact O-OE1 2.87Å; M68-Q122 VanDerWaalsContact O-OE1 3.12Å; M68-F169 HydrophobicContact CB-CE1 4.3Å; M68-F169 HydrophobicContact CB-CZ 3.93Å; M68-F169 HydrophobicContact CE-CD1 4.39Å; M68-F169 HydrophobicContact CE-CE1 4.06Å; M68-F169 HydrophobicContact CE-CZ 4.41Å; M68-F169 HydrophobicContact SD-CE1 3.97Å; M68-F169 HydrophobicContact SD-CZ 4.49Å; M68-V174 HydrophobicContact CE-CG2 3.58Å; M68-V174 HydrophobicContact SD-CG2 4.4Å
69	F	97.3	Very high	95.2	Very high	62 Å²	62	45 Å²	45	27%	0.272	24%	0.243	S	C	.	.	H	α-helix	trans	-75.1	-41.5	173.7	-69.4	-86.3	0	0	0	111.3	F50 F54 V65 I66 H67 Q71 A72 I73 F169	F50-F69 HydrophobicContact CE2-CE1 4.29Å; F50-F69 HydrophobicContact CE2-CZ 4.32Å; F50-F69 HydrophobicContact CZ-CE1 4.24Å; F50-F69 HydrophobicContact CZ-CZ 4.25Å; F54-F69 AromaticContact CD2-CE2 3.85Å; F54-F69 HydrophobicContact CD2-CE2 3.85Å; F54-F69 AromaticContact CD2-CZ 3.85Å; F54-F69 HydrophobicContact CD2-CZ 3.85Å; F54-F69 AromaticContact CE2-CE2 3.72Å; F54-F69 HydrophobicContact CE2-CE2 3.72Å; F54-F69 AromaticContact CE2-CZ 3.98Å; F54-F69 HydrophobicContact CE2-CZ 3.98Å; V65-F69 HydrophobicContact CG2-CE2 4.49Å; I66-F69 WeakPolarHBondContact O-CB 3.22Å; I66-F69 PolarHBondContact O-N 3.42Å; H67-F69 VanDerWaalsContact C-N 3.34Å; F69-Q71 PolarHBondContact O-N 3.24Å; F69-A72 PolarHBondContact O-N 3.4Å; F69-A72 VanDerWaalsContact O-N 3.14Å; F69-I73 HydrophobicContact CB-CD1 4.27Å; F69-I73 WeakPolarHBondContact O-CB 3.49Å; F69-I73 WeakPolarHBondContact O-CG1 3.17Å; F69-I73 PolarHBondContact O-N 2.83Å; F69-F169 HydrophobicContact CD1-CZ 4.48Å; F69-F169 HydrophobicContact CD2-CZ 4.08Å; F69-F169 HydrophobicContact CE1-CE2 4.05Å; F69-F169 HydrophobicContact CE1-CZ 4.02Å; F69-F169 HydrophobicContact CE2-CE1 4.14Å; F69-F169 HydrophobicContact CE2-CE2 4.4Å; F69-F169 AromaticContact CE2-CZ 3.56Å; F69-F169 HydrophobicContact CE2-CZ 3.56Å; F69-F169 HydrophobicContact CZ-CE1 4.24Å; F69-F169 AromaticContact CZ-CE2 3.96Å; F69-F169 HydrophobicContact CZ-CE2 3.96Å; F69-F169 AromaticContact CZ-CZ 3.54Å; F69-F169 HydrophobicContact CZ-CZ 3.54Å
70	V	97	Very high	95.4	Very high	64 Å²	64	41.7 Å²	41.7	39%	0.388	23%	0.227	S	C	.	.	H	α-helix	trans	-64	-28.8	176.8	177.3	0	0	0	0	111.6	I66 H67 P74 Y98	I66-V70 HydrophobicContact CG1-CG2 4.36Å; I66-V70 WeakPolarHBondContact O-CG2 3.42Å; I66-V70 PolarHBondContact O-N 3.29Å; H67-V70 PolarHBondContact O-N 3.41Å; V70-P74 WeakPolarHBondContact O-CD 3.25Å; V70-P74 VanDerWaalsContact O-CG 3.22Å; V70-P74 WeakPolarHBondContact O-CG 3.25Å; V70-Y98 HydrophobicContact CB-CE2 4.3Å; V70-Y98 WeakPolarHBondContact CB-OH 3.32Å; V70-Y98 HydrophobicContact CG1-CD2 4.45Å; V70-Y98 HydrophobicContact CG1-CE2 3.48Å; V70-Y98 VanDerWaalsContact CG1-CE2 3.48Å; V70-Y98 WeakPolarHBondContact CG1-OH 3.23Å
71	Q	97.7	Very high	95.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-77.9	-41.7	170	-162.1	-176.6	44.5	0	0	112.3	H67 F69 A75 F94 S95 Y98 L119 Q122 T123 L126	H67-Q71 PolarHBondContact O-N 3.38Å; F69-Q71 PolarHBondContact O-N 3.24Å; Q71-A75 WeakPolarHBondContact O-CB 3.25Å; Q71-F94 HydrophobicContact CG-CE1 4.42Å; Q71-F94 WeakPolarHBondContact O-CE1 3.49Å; Q71-S95 PolarHBondContact NE2-O 2.83Å; Q71-S95 VanDerWaalsContact NE2-O 3.08Å; Q71-Y98 HydrophobicContact CB-CD1 3.84Å; Q71-Y98 HydrophobicContact CB-CE1 4.02Å; Q71-Y98 HydrophobicContact CG-CD1 3.95Å; Q71-Y98 HydrophobicContact CG-CG 4.48Å; Q71-L119 HydrophobicContact CB-CD2 4.28Å; Q71-Q122 VanDerWaalsContact OE1-OE1 3.13Å; Q71-T123 PolarHBondContact NE2-OG1 3.22Å; Q71-L126 HydrophobicContact CG-CD1 3.93Å
72	A	97.7	Very high	96	Very high	8 Å²	8	50.1 Å²	50.1	7%	0.066	27%	0.266	C	S	.	.	H	α-helix	trans	-72	-42.5	-175	0	0	0	0	0	114.1	M68 F69 A75 Y76 L168	M68-A72 WeakPolarHBondContact O-CB 3.29Å; M68-A72 PolarHBondContact O-N 3.07Å; F69-A72 PolarHBondContact O-N 3.4Å; F69-A72 VanDerWaalsContact O-N 3.14Å; A72-A75 PolarHBondContact O-N 2.89Å; A72-Y76 WeakPolarHBondContact O-CB 3.46Å; A72-Y76 PolarHBondContact O-N 3.15Å; A72-L168 HydrophobicContact CB-CD1 3.52Å
73	I	97.7	Very high	96.2	Very high	96 Å²	96	53.2 Å²	53.2	49%	0.492	28%	0.282	S	S	.	.	H	α-helix	trans	-64.3	-54.6	-173.1	-67.9	166.2	0	0	0	111	F69 A75 Y76 L77	F69-I73 HydrophobicContact CB-CD1 4.27Å; F69-I73 WeakPolarHBondContact O-CB 3.49Å; F69-I73 WeakPolarHBondContact O-CG1 3.17Å; F69-I73 PolarHBondContact O-N 2.83Å; I73-A75 VanDerWaalsContact C-N 3.31Å; I73-A75 PolarHBondContact O-N 3.1Å; I73-Y76 PolarHBondContact O-N 2.97Å; I73-Y76 VanDerWaalsContact O-N 3.12Å; I73-L77 HydrophobicContact CG2-CD1 4.2Å; I73-L77 HydrophobicContact CG2-CG 4.39Å; I73-L77 WeakPolarHBondContact O-CG 3.41Å; I73-L77 PolarHBondContact O-N 3Å
74	P	97.7	Very high	96.2	Very high	41 Å²	41	50.1 Å²	50.1	27%	0.266	26%	0.263	S	S	.	.	H	α-helix	trans	-60.9	-39.7	178.1	-23.1	36.1	0	0	0	112.2	V70 Y76 L77 M78 F94	V70-P74 WeakPolarHBondContact O-CD 3.25Å; V70-P74 VanDerWaalsContact O-CG 3.22Å; V70-P74 WeakPolarHBondContact O-CG 3.25Å; P74-Y76 VanDerWaalsContact C-N 3.32Å; P74-Y76 PolarHBondContact O-N 3.26Å; P74-L77 PolarHBondContact O-N 3.25Å; P74-M78 VanDerWaalsContact O-CG 3.26Å; P74-M78 WeakPolarHBondContact O-CG 3.47Å; P74-M78 PolarHBondContact O-N 3.32Å; P74-F94 HydrophobicContact CB-CE1 3.82Å; P74-F94 HydrophobicContact CB-CE2 4.09Å; P74-F94 HydrophobicContact CB-CZ 3.57Å; P74-F94 HydrophobicContact CG-CE1 4.23Å; P74-F94 HydrophobicContact CG-CE2 4.41Å; P74-F94 HydrophobicContact CG-CZ 3.7Å
75	A	97.6	Very high	96.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.6	-42	175.4	0	0	0	0	0	111.9	Q71 A72 I73 M78 M79 I91 L126	Q71-A75 WeakPolarHBondContact O-CB 3.25Å; A72-A75 PolarHBondContact O-N 2.89Å; I73-A75 VanDerWaalsContact C-N 3.31Å; I73-A75 PolarHBondContact O-N 3.1Å; A75-M78 WeakPolarHBondContact O-CB 3.24Å; A75-M78 PolarHBondContact O-N 3.21Å; A75-M79 WeakPolarHBondContact O-CG 3.44Å; A75-M79 PolarHBondContact O-N 3.36Å; A75-M79 VanDerWaalsContact O-N 3.07Å; A75-I91 HydrophobicContact CB-CG1 4.37Å; A75-I91 HydrophobicContact CB-CG2 3.98Å; A75-I91 WeakPolarHBondContact O-CD1 3.39Å; A75-L126 HydrophobicContact CB-CD1 3.96Å; A75-L126 HydrophobicContact CB-CD2 3.92Å; A75-L126 HydrophobicContact CB-CG 4.38Å
76	Y	97.1	Very high	96.2	Very high	43 Å²	43	54.6 Å²	54.6	17%	0.169	30%	0.295	C	S	.	.	H	α-helix	trans	-65.9	-42.8	174.5	-178.2	-104.8	0	0	0	112.5	A72 I73 P74 M78 M79 V80 L161 L164	A72-Y76 WeakPolarHBondContact O-CB 3.46Å; A72-Y76 PolarHBondContact O-N 3.15Å; I73-Y76 PolarHBondContact O-N 2.97Å; I73-Y76 VanDerWaalsContact O-N 3.12Å; P74-Y76 VanDerWaalsContact C-N 3.32Å; P74-Y76 PolarHBondContact O-N 3.26Å; Y76-M78 VanDerWaalsContact C-N 3.27Å; Y76-M78 PolarHBondContact O-N 2.91Å; Y76-M79 WeakPolarHBondContact O-CB 3.21Å; Y76-M79 PolarHBondContact O-N 3.05Å; Y76-M79 VanDerWaalsContact O-N 3.07Å; Y76-V80 HydrophobicContact CD1-CG2 4.2Å; Y76-V80 HydrophobicContact CE1-CG2 3.8Å; Y76-V80 HydrophobicContact CE2-CG2 4.45Å; Y76-V80 WeakPolarHBondContact O-CG2 2.91Å; Y76-V80 PolarHBondContact O-N 3Å; Y76-L161 HydrophobicContact CD1-CD2 3.77Å; Y76-L161 HydrophobicContact CD2-CD2 4.48Å; Y76-L161 HydrophobicContact CE1-CD2 3.36Å; Y76-L161 HydrophobicContact CE1-CG 4.23Å; Y76-L161 HydrophobicContact CE2-CD2 4.1Å; Y76-L161 HydrophobicContact CG-CD2 4.3Å; Y76-L164 HydrophobicContact CD2-CD2 3.45Å; Y76-L164 VanDerWaalsContact CD2-CD2 3.45Å; Y76-L164 HydrophobicContact CE2-CD2 4.21Å; Y76-L164 HydrophobicContact CG-CD2 3.88Å
77	L	97.2	Very high	96.2	Very high	80 Å²	80	49.9 Å²	49.9	42%	0.419	27%	0.272	S	S	.	.	H	α-helix	trans	-59.8	-39.6	175.1	-62.2	178.6	0	0	0	111.1	I73 P74 M79 V80 F81	I73-L77 HydrophobicContact CG2-CD1 4.2Å; I73-L77 HydrophobicContact CG2-CG 4.39Å; I73-L77 WeakPolarHBondContact O-CG 3.41Å; I73-L77 PolarHBondContact O-N 3Å; P74-L77 PolarHBondContact O-N 3.25Å; L77-M79 PolarHBondContact O-N 3.18Å; L77-V80 PolarHBondContact O-N 3.21Å; L77-F81 HydrophobicContact CB-CD2 4.07Å; L77-F81 HydrophobicContact CB-CE2 4.1Å; L77-F81 HydrophobicContact CD2-CE2 3.94Å; L77-F81 WeakPolarHBondContact O-CD2 3.33Å; L77-F81 PolarHBondContact O-N 3.47Å
78	M	97.5	Very high	96.2	Very high	42 Å²	42	47.9 Å²	47.9	21%	0.207	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-39.5	173.2	-68	174	82.4	0	0	112.3	P74 A75 Y76 V80 L82 G90 I91 F94	P74-M78 VanDerWaalsContact O-CG 3.26Å; P74-M78 WeakPolarHBondContact O-CG 3.47Å; P74-M78 PolarHBondContact O-N 3.32Å; A75-M78 WeakPolarHBondContact O-CB 3.24Å; A75-M78 PolarHBondContact O-N 3.21Å; Y76-M78 VanDerWaalsContact C-N 3.27Å; Y76-M78 PolarHBondContact O-N 2.91Å; M78-V80 PolarHBondContact O-N 3.23Å; M78-L82 HydrophobicContact CB-CD1 3.99Å; M78-L82 HydrophobicContact CB-CG 4.48Å; M78-L82 HydrophobicContact CE-CD1 3.75Å; M78-L82 HydrophobicContact CG-CD1 4.06Å; M78-L82 VanDerWaalsContact O-CB 3.28Å; M78-L82 WeakPolarHBondContact O-CB 3.44Å; M78-L82 PolarHBondContact O-N 3.27Å; M78-G90 VanDerWaalsContact CE-CA 3.49Å; M78-G90 WeakPolarHBondContact CE-O 3.43Å; M78-I91 HydrophobicContact CB-CD1 4.06Å; M78-I91 HydrophobicContact CB-CG1 3.79Å; M78-I91 HydrophobicContact CE-CG1 4.37Å; M78-I91 HydrophobicContact SD-CG1 4.05Å; M78-F94 HydrophobicContact SD-CB 4.13Å; M78-F94 HydrophobicContact SD-CG 4.35Å
79	M	95.8	Very high	96.2	Very high	21 Å²	21	53 Å²	53	10%	0.103	28%	0.283	C	S	.	.	H	α-helix	trans	-64.6	-26.1	173.1	-64.2	179.5	-171.5	0	0	113	A75 Y76 L77 I91 L129 A130 I133	A75-M79 WeakPolarHBondContact O-CG 3.44Å; A75-M79 PolarHBondContact O-N 3.36Å; A75-M79 VanDerWaalsContact O-N 3.07Å; Y76-M79 WeakPolarHBondContact O-CB 3.21Å; Y76-M79 PolarHBondContact O-N 3.05Å; Y76-M79 VanDerWaalsContact O-N 3.07Å; L77-M79 PolarHBondContact O-N 3.18Å; M79-I91 HydrophobicContact CB-CD1 4.48Å; M79-I91 HydrophobicContact CE-CD1 3.79Å; M79-I91 HydrophobicContact CG-CD1 3.37Å; M79-I91 HydrophobicContact SD-CD1 4.48Å; M79-L129 HydrophobicContact CE-CB 4.23Å; M79-L129 HydrophobicContact CE-CD2 3.74Å; M79-L129 HydrophobicContact CE-CG 3.81Å; M79-L129 HydrophobicContact SD-CD2 4.02Å; M79-L129 HydrophobicContact SD-CG 4.23Å; M79-A130 HydrophobicContact CE-CB 4.16Å; M79-I133 HydrophobicContact SD-CD1 3.97Å
80	V	95.6	Very high	96.2	Very high	45 Å²	45	50.9 Å²	50.9	27%	0.273	28%	0.278	S	S	.	.	H	α-helix	trans	-84.5	-44.1	-179.4	172.7	0	0	0	0	111.7	Y76 L77 M78	Y76-V80 HydrophobicContact CD1-CG2 4.2Å; Y76-V80 HydrophobicContact CE1-CG2 3.8Å; Y76-V80 HydrophobicContact CE2-CG2 4.45Å; Y76-V80 WeakPolarHBondContact O-CG2 2.91Å; Y76-V80 PolarHBondContact O-N 3Å; L77-V80 PolarHBondContact O-N 3.21Å; M78-V80 PolarHBondContact O-N 3.23Å
81	F	96.2	Very high	96.2	Very high	158 Å²	158	47.8 Å²	47.8	69%	0.693	26%	0.26	S	S	*	.	H	α-helix	trans	-100.5	-24.8	-168.5	-61.9	-59.6	0	0	0	114.7	L77	L77-F81 HydrophobicContact CB-CD2 4.07Å; L77-F81 HydrophobicContact CB-CE2 4.1Å; L77-F81 HydrophobicContact CD2-CE2 3.94Å; L77-F81 WeakPolarHBondContact O-CD2 3.33Å; L77-F81 PolarHBondContact O-N 3.47Å
82	L	96.3	Very high	96.2	Very high	67 Å²	67	49.1 Å²	49.1	35%	0.351	27%	0.267	S	S	.	.	S	Bend	trans	-94.9	147.2	-179.4	-56.6	180	0	0	0	111.3	M78 V86 A87	M78-L82 HydrophobicContact CB-CD1 3.99Å; M78-L82 HydrophobicContact CB-CG 4.48Å; M78-L82 HydrophobicContact CE-CD1 3.75Å; M78-L82 HydrophobicContact CG-CD1 4.06Å; M78-L82 VanDerWaalsContact O-CB 3.28Å; M78-L82 WeakPolarHBondContact O-CB 3.44Å; M78-L82 PolarHBondContact O-N 3.27Å; L82-V86 HydrophobicContact CD1-CG1 4.36Å; L82-A87 HydrophobicContact CB-CB 4.05Å
83	P	94.9	Very high	96.2	Very high	82 Å²	82	54.4 Å²	54.4	53%	0.532	29%	0.293	S	S	.	.			trans	-56.2	143.2	167.1	-22.4	33	0	0	0	110.8	S85 V86 A87	P83-S85 PolarHBondContact O-N 3.45Å; P83-S85 VanDerWaalsContact O-N 3.11Å; P83-V86 PolarHBondContact O-N 3.05Å; P83-A87 PolarHBondContact O-N 2.93Å
84	S	92.3	Very high	96.2	Very high	33 Å²	33	52.5 Å²	52.5	23%	0.231	28%	0.281	C	S	.	.	H	α-helix	trans	-57.7	-31.6	-175.9	60	0	0	0	0	113.6	V86 Q88	S84-V86 PolarHBondContact O-N 3.05Å; S84-Q88 WeakPolarHBondContact O-CG 3.49Å; S84-Q88 PolarHBondContact O-N 3.03Å
85	S	91.4	Very high	96.2	Very high	72 Å²	72	50.6 Å²	50.6	50%	0.503	27%	0.268	S	S	.	.	H	α-helix	trans	-61.2	-31	175.1	52.7	0	0	0	0	113.4	P83 Q88 Y89	P83-S85 PolarHBondContact O-N 3.45Å; P83-S85 VanDerWaalsContact O-N 3.11Å; S85-Q88 PolarHBondContact O-NE2 3.17Å; S85-Q88 VanDerWaalsContact O-NE2 3.1Å; S85-Y89 WeakPolarHBondContact O-CD2 3.39Å
86	V	95.6	Very high	96.2	Very high	77 Å²	77	51.2 Å²	51.2	47%	0.467	27%	0.271	S	S	.	.	H	α-helix	trans	-94.4	-43.9	178.7	-178	0	0	0	0	110.7	L82 P83 S84 Q88 Y89 G90	L82-V86 HydrophobicContact CD1-CG1 4.36Å; P83-V86 PolarHBondContact O-N 3.05Å; S84-V86 PolarHBondContact O-N 3.05Å; V86-Q88 VanDerWaalsContact C-N 3.27Å; V86-Q88 PolarHBondContact O-N 3.39Å; V86-Y89 PolarHBondContact O-N 2.95Å; V86-G90 PolarHBondContact O-N 2.92Å
87	A	95.8	Very high	96.2	Very high	5 Å²	5	51.4 Å²	51.4	4%	0.041	28%	0.282	C	S	.	.	H	α-helix	trans	-54.9	-41.6	-176.3	0	0	0	0	0	112.4	L82 P83 Y89 G90 I91	L82-A87 HydrophobicContact CB-CB 4.05Å; P83-A87 PolarHBondContact O-N 2.93Å; A87-Y89 PolarHBondContact O-N 2.94Å; A87-G90 PolarHBondContact O-N 3.5Å; A87-I91 HydrophobicContact CB-CD1 4.28Å; A87-I91 VanDerWaalsContact O-CB 3.3Å; A87-I91 WeakPolarHBondContact O-CB 3.43Å; A87-I91 WeakPolarHBondContact O-CD1 3.41Å; A87-I91 WeakPolarHBondContact O-CG1 3.17Å; A87-I91 PolarHBondContact O-N 2.98Å
88	Q	95.4	Very high	96.2	Very high	8 Å²	8	49.5 Å²	49.5	4%	0.037	27%	0.27	C	S	.	.	H	α-helix	trans	-57.6	-44.2	-179.8	67.5	-171.5	-15.5	0	0	113.5	S84 S85 V86 L92 A130 F131	S84-Q88 WeakPolarHBondContact O-CG 3.49Å; S84-Q88 PolarHBondContact O-N 3.03Å; S85-Q88 PolarHBondContact O-NE2 3.17Å; S85-Q88 VanDerWaalsContact O-NE2 3.1Å; V86-Q88 VanDerWaalsContact C-N 3.27Å; V86-Q88 PolarHBondContact O-N 3.39Å; Q88-L92 PolarHBondContact O-N 2.94Å; Q88-A130 HydrophobicContact CB-CB 4.41Å; Q88-F131 HydrophobicContact CB-CD1 3.61Å; Q88-F131 HydrophobicContact CB-CE1 3.81Å; Q88-F131 HydrophobicContact CB-CG 4.07Å; Q88-F131 HydrophobicContact CB-CZ 4.42Å; Q88-F131 HydrophobicContact CG-CD1 3.89Å; Q88-F131 HydrophobicContact CG-CE1 3.74Å
89	Y	96.3	Very high	96.1	Very high	108 Å²	108	47.5 Å²	47.5	42%	0.424	26%	0.26	S	S	.	.	H	α-helix	trans	-79.5	-40.4	178.1	-62.1	-69.6	0	0	0	111.2	S85 V86 A87 I91 L92 I93 F131	S85-Y89 WeakPolarHBondContact O-CD2 3.39Å; V86-Y89 PolarHBondContact O-N 2.95Å; A87-Y89 PolarHBondContact O-N 2.94Å; Y89-I91 VanDerWaalsContact C-N 3.34Å; Y89-I91 PolarHBondContact O-N 3.31Å; Y89-L92 PolarHBondContact O-N 3.49Å; Y89-I93 WeakPolarHBondContact O-CB 3.47Å; Y89-I93 VanDerWaalsContact O-CG1 3.29Å; Y89-I93 WeakPolarHBondContact O-CG1 3.36Å; Y89-I93 PolarHBondContact O-N 3.12Å; Y89-F131 HydrophobicContact CD1-CE1 4.05Å; Y89-F131 AromaticContact CD1-CZ 3.9Å; Y89-F131 HydrophobicContact CD1-CZ 3.9Å; Y89-F131 AromaticContact CE1-CE1 3.8Å; Y89-F131 HydrophobicContact CE1-CE1 3.8Å; Y89-F131 AromaticContact CE1-CZ 3.99Å; Y89-F131 HydrophobicContact CE1-CZ 3.99Å
90	G	97.2	Very high	96.1	Very high	18 Å²	18	47 Å²	47	19%	0.186	26%	0.258	C	S	.	.	H	α-helix	trans	-59.1	-44	178.1	0	0	0	0	0	112.2	M78 V86 A87 I93 F94	M78-G90 VanDerWaalsContact CE-CA 3.49Å; M78-G90 WeakPolarHBondContact CE-O 3.43Å; V86-G90 PolarHBondContact O-N 2.92Å; A87-G90 PolarHBondContact O-N 3.5Å; G90-I93 PolarHBondContact O-N 2.92Å; G90-F94 VanDerWaalsContact O-CB 3.24Å; G90-F94 WeakPolarHBondContact O-CB 3.2Å; G90-F94 PolarHBondContact O-N 3.41Å
91	I	98	Very high	96	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-69	-41	179.2	-68.7	163.1	0	0	0	110.8	A75 M78 M79 A87 Y89 I93 F94 S95 L126 A130	A75-I91 HydrophobicContact CB-CG1 4.37Å; A75-I91 HydrophobicContact CB-CG2 3.98Å; A75-I91 WeakPolarHBondContact O-CD1 3.39Å; M78-I91 HydrophobicContact CB-CD1 4.06Å; M78-I91 HydrophobicContact CB-CG1 3.79Å; M78-I91 HydrophobicContact CE-CG1 4.37Å; M78-I91 HydrophobicContact SD-CG1 4.05Å; M79-I91 HydrophobicContact CB-CD1 4.48Å; M79-I91 HydrophobicContact CE-CD1 3.79Å; M79-I91 HydrophobicContact CG-CD1 3.37Å; M79-I91 HydrophobicContact SD-CD1 4.48Å; A87-I91 HydrophobicContact CB-CD1 4.28Å; A87-I91 VanDerWaalsContact O-CB 3.3Å; A87-I91 WeakPolarHBondContact O-CB 3.43Å; A87-I91 WeakPolarHBondContact O-CD1 3.41Å; A87-I91 WeakPolarHBondContact O-CG1 3.17Å; A87-I91 PolarHBondContact O-N 2.98Å; Y89-I91 VanDerWaalsContact C-N 3.34Å; Y89-I91 PolarHBondContact O-N 3.31Å; I91-I93 PolarHBondContact O-N 3.39Å; I91-F94 PolarHBondContact O-N 3.09Å; I91-S95 VanDerWaalsContact O-CB 3.25Å; I91-S95 WeakPolarHBondContact O-CB 3.22Å; I91-S95 PolarHBondContact O-N 2.85Å; I91-S95 PolarHBondContact O-OG 3.49Å; I91-S95 VanDerWaalsContact O-OG 3.09Å; I91-L126 HydrophobicContact CG2-CB 4.1Å; I91-A130 HydrophobicContact CB-CB 3.97Å; I91-A130 HydrophobicContact CD1-CB 3.6Å; I91-A130 HydrophobicContact CG1-CB 4.37Å; I91-A130 HydrophobicContact CG2-CB 4.12Å
92	L	97.5	Very high	95.9	Very high	28 Å²	28	41.2 Å²	41.2	15%	0.147	24%	0.239	C	C	.	.	H	α-helix	trans	-57.7	-50.5	173.1	175.5	64.3	0	0	0	111.1	Q88 Y89 M96 F131 W334	Q88-L92 PolarHBondContact O-N 2.94Å; Y89-L92 PolarHBondContact O-N 3.49Å; L92-M96 HydrophobicContact CD1-CG 3.96Å; L92-M96 VanDerWaalsContact O-CB 3.25Å; L92-M96 WeakPolarHBondContact O-CB 3.44Å; L92-M96 WeakPolarHBondContact O-CG 3.46Å; L92-M96 PolarHBondContact O-N 2.83Å; L92-F131 HydrophobicContact CB-CE2 4.17Å; L92-F131 HydrophobicContact CD2-CE2 4Å; L92-F131 HydrophobicContact CD2-CZ 4.18Å; L92-W334 HydrophobicContact CD1-CZ2 4.25Å
93	I	97.1	Very high	95.7	Very high	118 Å²	118	38.3 Å²	38.3	61%	0.605	22%	0.224	S	C	*	.	H	α-helix	trans	-62.7	-48.4	-179.3	-68.4	166.3	0	0	0	110.6	Y89 G90 I91 M96 A97	Y89-I93 WeakPolarHBondContact O-CB 3.47Å; Y89-I93 VanDerWaalsContact O-CG1 3.29Å; Y89-I93 WeakPolarHBondContact O-CG1 3.36Å; Y89-I93 PolarHBondContact O-N 3.12Å; G90-I93 PolarHBondContact O-N 2.92Å; I91-I93 PolarHBondContact O-N 3.39Å; I93-M96 PolarHBondContact O-N 3.45Å; I93-A97 WeakPolarHBondContact O-CB 3.35Å; I93-A97 PolarHBondContact O-N 2.81Å
94	F	97.8	Very high	95.6	Very high	57 Å²	57	37.3 Å²	37.3	25%	0.25	21%	0.213	C	C	.	.	H	α-helix	trans	-61	-51.2	179.1	168.3	-98.8	0	0	0	111.8	Q71 P74 M78 G90 I91 M96 A97 Y98	Q71-F94 HydrophobicContact CG-CE1 4.42Å; Q71-F94 WeakPolarHBondContact O-CE1 3.49Å; P74-F94 HydrophobicContact CB-CE1 3.82Å; P74-F94 HydrophobicContact CB-CE2 4.09Å; P74-F94 HydrophobicContact CB-CZ 3.57Å; P74-F94 HydrophobicContact CG-CE1 4.23Å; P74-F94 HydrophobicContact CG-CE2 4.41Å; P74-F94 HydrophobicContact CG-CZ 3.7Å; M78-F94 HydrophobicContact SD-CB 4.13Å; M78-F94 HydrophobicContact SD-CG 4.35Å; G90-F94 VanDerWaalsContact O-CB 3.24Å; G90-F94 WeakPolarHBondContact O-CB 3.2Å; G90-F94 PolarHBondContact O-N 3.41Å; I91-F94 PolarHBondContact O-N 3.09Å; F94-M96 VanDerWaalsContact C-N 3.33Å; F94-M96 PolarHBondContact O-N 2.85Å; F94-A97 PolarHBondContact O-N 2.98Å; F94-Y98 WeakPolarHBondContact O-CB 3.29Å; F94-Y98 PolarHBondContact O-N 2.91Å
95	S	97.9	Very high	95.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.3	-40.3	-178.2	-65.7	0	0	0	0	111.6	Q71 I91 L99	Q71-S95 PolarHBondContact NE2-O 2.83Å; Q71-S95 VanDerWaalsContact NE2-O 3.08Å; I91-S95 VanDerWaalsContact O-CB 3.25Å; I91-S95 WeakPolarHBondContact O-CB 3.22Å; I91-S95 PolarHBondContact O-N 2.85Å; I91-S95 PolarHBondContact O-OG 3.49Å; I91-S95 VanDerWaalsContact O-OG 3.09Å; S95-L99 VanDerWaalsContact O-CB 3.32Å; S95-L99 WeakPolarHBondContact O-CB 3.48Å; S95-L99 PolarHBondContact O-N 3.36Å
96	M	97.1	Very high	95.2	Very high	13 Å²	13	38.8 Å²	38.8	6%	0.064	21%	0.206	C	C	.	.	H	α-helix	trans	-65.5	-42.8	173.9	-73.4	-66.3	-63.6	0	0	112.2	L92 I93 F94 L99 S100 T123 W334 A355 M358 W359	L92-M96 HydrophobicContact CD1-CG 3.96Å; L92-M96 VanDerWaalsContact O-CB 3.25Å; L92-M96 WeakPolarHBondContact O-CB 3.44Å; L92-M96 WeakPolarHBondContact O-CG 3.46Å; L92-M96 PolarHBondContact O-N 2.83Å; I93-M96 PolarHBondContact O-N 3.45Å; F94-M96 VanDerWaalsContact C-N 3.33Å; F94-M96 PolarHBondContact O-N 2.85Å; M96-L99 PolarHBondContact O-N 2.84Å; M96-S100 VanDerWaalsContact O-CB 3.26Å; M96-S100 WeakPolarHBondContact O-CB 3.45Å; M96-S100 PolarHBondContact O-N 2.83Å; M96-S100 PolarHBondContact O-OG 3.18Å; M96-T123 HydrophobicContact CG-CG2 4.22Å; M96-T123 HydrophobicContact SD-CG2 3.77Å; M96-W334 HydrophobicContact SD-CH2 4.19Å; M96-W334 HydrophobicContact SD-CZ2 4.42Å; M96-A355 WeakPolarHBondContact CE-O 3.23Å; M96-M358 HydrophobicContact CE-CB 3.39Å; M96-M358 HydrophobicContact CE-CE 4.47Å; M96-W359 HydrophobicContact CE-CB 4.19Å; M96-W359 HydrophobicContact SD-CB 4.41Å
97	A	96.7	Very high	94.6	Very high	48 Å²	48	37 Å²	37	40%	0.397	20%	0.197	S	C	.	.	H	α-helix	trans	-64.5	-43.1	177.8	0	0	0	0	0	111.5	I93 F94 S100 S101	I93-A97 WeakPolarHBondContact O-CB 3.35Å; I93-A97 PolarHBondContact O-N 2.81Å; F94-A97 PolarHBondContact O-N 2.98Å; A97-S100 WeakPolarHBondContact O-CB 3.47Å; A97-S100 PolarHBondContact O-N 3.34Å; A97-S101 PolarHBondContact O-N 3.38Å; A97-S101 PolarHBondContact O-OG 3.45Å; A97-S101 VanDerWaalsContact O-OG 3.13Å
98	Y	97.1	Very high	94.2	Very high	40 Å²	40	43 Å²	43	16%	0.157	23%	0.226	C	C	.	.	H	α-helix	trans	-62.7	-47.8	176.5	-172	-98.1	0	0	0	112	H67 V70 Q71 F94 S100 S101 V102 L119	H67-Y98 WeakPolarHBondContact CA-OH 3.38Å; H67-Y98 HydrophobicContact CB-CE1 4.23Å; H67-Y98 AromaticContact ND1-CZ 3.73Å; H67-Y98 PolarHBondContact ND1-OH 3.3Å; H67-Y98 WeakPolarHBondContact O-CE1 3.18Å; V70-Y98 HydrophobicContact CB-CE2 4.3Å; V70-Y98 WeakPolarHBondContact CB-OH 3.32Å; V70-Y98 HydrophobicContact CG1-CD2 4.45Å; V70-Y98 HydrophobicContact CG1-CE2 3.48Å; V70-Y98 VanDerWaalsContact CG1-CE2 3.48Å; V70-Y98 WeakPolarHBondContact CG1-OH 3.23Å; Q71-Y98 HydrophobicContact CB-CD1 3.84Å; Q71-Y98 HydrophobicContact CB-CE1 4.02Å; Q71-Y98 HydrophobicContact CG-CD1 3.95Å; Q71-Y98 HydrophobicContact CG-CG 4.48Å; F94-Y98 WeakPolarHBondContact O-CB 3.29Å; F94-Y98 PolarHBondContact O-N 2.91Å; Y98-S100 VanDerWaalsContact C-N 3.27Å; Y98-S100 PolarHBondContact O-N 3.43Å; Y98-S101 PolarHBondContact O-N 2.92Å; Y98-V102 HydrophobicContact CE1-CG2 4.28Å; Y98-V102 PolarHBondContact O-N 3.23Å; Y98-V102 VanDerWaalsContact O-N 3.15Å; Y98-L119 HydrophobicContact CE1-CD1 4.34Å; Y98-L119 HydrophobicContact CE1-CD2 4.26Å
99	L	96.6	Very high	93.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58.6	-41.8	173.9	175.6	62.4	0	0	0	111.2	S95 M96 S101 V102 H103 L119 M120 W359	S95-L99 VanDerWaalsContact O-CB 3.32Å; S95-L99 WeakPolarHBondContact O-CB 3.48Å; S95-L99 PolarHBondContact O-N 3.36Å; M96-L99 PolarHBondContact O-N 2.84Å; L99-S101 PolarHBondContact O-N 2.87Å; L99-V102 PolarHBondContact O-N 2.85Å; L99-H103 PolarHBondContact O-CD2 3.08Å; L99-H103 PolarHBondContact O-N 3.16Å; L99-L119 HydrophobicContact CD1-CB 3.78Å; L99-M120 HydrophobicContact CD1-CG 3.94Å; L99-M120 HydrophobicContact CD2-CG 3.86Å; L99-W359 HydrophobicContact CD2-CG 4.48Å
100	S	95	Very high	92.7	Very high	9 Å²	9	48.8 Å²	48.8	6%	0.063	25%	0.252	C	S	.	.	H	α-helix	trans	-60.2	-44.5	176.7	-61.9	0	0	0	0	111.8	M96 A97 Y98 V102 H103 I104 F362	M96-S100 VanDerWaalsContact O-CB 3.26Å; M96-S100 WeakPolarHBondContact O-CB 3.45Å; M96-S100 PolarHBondContact O-N 2.83Å; M96-S100 PolarHBondContact O-OG 3.18Å; A97-S100 WeakPolarHBondContact O-CB 3.47Å; A97-S100 PolarHBondContact O-N 3.34Å; Y98-S100 VanDerWaalsContact C-N 3.27Å; Y98-S100 PolarHBondContact O-N 3.43Å; S100-V102 VanDerWaalsContact C-N 3.32Å; S100-V102 PolarHBondContact O-N 2.82Å; S100-H103 WeakPolarHBondContact O-CB 3.4Å; S100-H103 PolarHBondContact O-N 3.25Å; S100-I104 WeakPolarHBondContact O-CB 3.41Å; S100-I104 VanDerWaalsContact O-CG1 3.27Å; S100-I104 WeakPolarHBondContact O-CG1 3.4Å; S100-I104 PolarHBondContact O-N 2.92Å; S100-F362 WeakPolarHBondContact OG-CE2 3.33Å
101	S	94.1	Very high	91.5	Very high	74 Å²	74	51.6 Å²	51.6	52%	0.517	27%	0.267	S	S	.	.	H	α-helix	trans	-60.1	-41.4	176.3	-61	0	0	0	0	112.2	A97 Y98 L99 I104 H105	A97-S101 PolarHBondContact O-N 3.38Å; A97-S101 PolarHBondContact O-OG 3.45Å; A97-S101 VanDerWaalsContact O-OG 3.13Å; Y98-S101 PolarHBondContact O-N 2.92Å; L99-S101 PolarHBondContact O-N 2.87Å; S101-I104 PolarHBondContact O-N 2.82Å; S101-H105 WeakPolarHBondContact O-CB 3.31Å; S101-H105 PolarHBondContact O-N 3.4Å
102	V	93.3	Very high	90	Very high	9 Å²	9	61.2 Å²	61.2	6%	0.055	30%	0.304	C	S	.	.	H	α-helix	trans	-65.7	-42.8	175.3	175.2	0	0	0	0	111.2	Y98 L99 S100 H105 R106 I115 L119	Y98-V102 HydrophobicContact CE1-CG2 4.28Å; Y98-V102 PolarHBondContact O-N 3.23Å; Y98-V102 VanDerWaalsContact O-N 3.15Å; L99-V102 PolarHBondContact O-N 2.85Å; S100-V102 VanDerWaalsContact C-N 3.32Å; S100-V102 PolarHBondContact O-N 2.82Å; V102-H105 PolarHBondContact O-N 2.98Å; V102-R106 WeakPolarHBondContact O-CB 3.29Å; V102-R106 PolarHBondContact O-N 3.3Å; V102-I115 HydrophobicContact CG1-CG2 4.11Å; V102-L119 HydrophobicContact CB-CD1 4.18Å; V102-L119 HydrophobicContact CG1-CD1 4.04Å; V102-L119 HydrophobicContact CG2-CD1 3.83Å
103	H	92.5	Very high	88.1	Confident	5 Å²	5	61 Å²	61	2%	0.023	30%	0.303	C	S	.	.	H	α-helix	trans	-61.4	-44.1	175.3	-77.6	-48.3	0	0	0	112.4	L99 S100 R106 C107 W359 H360 G361 F362	L99-H103 PolarHBondContact O-CD2 3.08Å; L99-H103 PolarHBondContact O-N 3.16Å; S100-H103 WeakPolarHBondContact O-CB 3.4Å; S100-H103 PolarHBondContact O-N 3.25Å; H103-R106 PolarHBondContact O-N 3.38Å; H103-C107 PolarHBondContact O-N 2.94Å; H103-C107 PolarHBondContact O-SG 3.04Å; H103-W359 PolarHBondContact NE2-O 3.21Å; H103-H360 PolarHBondContact CE1-O 3.36Å; H103-G361 VanDerWaalsContact CD2-CA 3.43Å; H103-G361 WeakPolarHBondContact CD2-CA 3.15Å; H103-F362 HydrophobicContact CB-CD2 4.07Å
104	I	91.9	Very high	87.2	Confident	61 Å²	61	58.4 Å²	58.4	31%	0.313	29%	0.29	S	S	.	.	H	α-helix	trans	-63.1	-46.5	177	-69.9	164.8	0	0	0	110.2	S100 S101 R106 C107 M108 F362	S100-I104 WeakPolarHBondContact O-CB 3.41Å; S100-I104 VanDerWaalsContact O-CG1 3.27Å; S100-I104 WeakPolarHBondContact O-CG1 3.4Å; S100-I104 PolarHBondContact O-N 2.92Å; S101-I104 PolarHBondContact O-N 2.82Å; I104-R106 VanDerWaalsContact C-N 3.32Å; I104-R106 PolarHBondContact O-N 3.3Å; I104-C107 WeakPolarHBondContact O-CB 3.1Å; I104-C107 PolarHBondContact O-N 3.3Å; I104-C107 VanDerWaalsContact O-N 3.14Å; I104-M108 HydrophobicContact CG2-CE 3.75Å; I104-M108 HydrophobicContact CG2-CG 4.38Å; I104-M108 HydrophobicContact CG2-SD 3.72Å; I104-M108 WeakPolarHBondContact O-CG 3.3Å; I104-M108 PolarHBondContact O-N 3.12Å; I104-F362 HydrophobicContact CD1-CD1 4.43Å; I104-F362 HydrophobicContact CD1-CD2 4.32Å; I104-F362 HydrophobicContact CD1-CE1 4.48Å; I104-F362 HydrophobicContact CD1-CE2 4.44Å; I104-F362 HydrophobicContact CD1-CG 4.34Å; I104-F362 HydrophobicContact CD1-CZ 4.49Å; I104-F362 HydrophobicContact CG1-CB 4.1Å; I104-F362 HydrophobicContact CG1-CD1 4.27Å; I104-F362 HydrophobicContact CG1-CD2 3.83Å; I104-F362 HydrophobicContact CG1-CE2 4.41Å; I104-F362 HydrophobicContact CG1-CG 3.77Å
105	H	90.1	Very high	86.8	Confident	86 Å²	86	55.7 Å²	55.7	40%	0.398	28%	0.278	S	S	.	.	H	α-helix	trans	-59.3	-43.4	176.9	-179.1	-84.4	0	0	0	111.9	S101 V102 M108 Y109 N110	S101-H105 WeakPolarHBondContact O-CB 3.31Å; S101-H105 PolarHBondContact O-N 3.4Å; V102-H105 PolarHBondContact O-N 2.98Å; H105-M108 PolarHBondContact O-N 2.94Å; H105-Y109 AromaticContact CD2-CD2 3.59Å; H105-Y109 AromaticContact NE2-CD2 3.94Å; H105-Y109 PolarHBondContact O-N 3.44Å; H105-N110 PolarHBondContact O-N 3.02Å
106	R	85.5	Confident	86.5	Confident	51 Å²	51	55.9 Å²	55.9	19%	0.192	28%	0.279	C	S	.	.	H	α-helix	trans	-60.5	-43.8	174	179.3	-173.8	170.9	178.1	2.3	111.9	V102 H103 I104 M108 N110 P111 L113 D114 S116	V102-R106 WeakPolarHBondContact O-CB 3.29Å; V102-R106 PolarHBondContact O-N 3.3Å; H103-R106 PolarHBondContact O-N 3.38Å; I104-R106 VanDerWaalsContact C-N 3.32Å; I104-R106 PolarHBondContact O-N 3.3Å; R106-M108 VanDerWaalsContact C-N 3.34Å; R106-M108 PolarHBondContact O-N 3.06Å; R106-N110 WeakPolarHBondContact CA-O 3.36Å; R106-N110 WeakPolarHBondContact CG-O 3.4Å; R106-N110 CarbonylContact O-C 3.24Å; R106-P111 PolarHBondContact NE-O 3.07Å; R106-P111 WeakPolarHBondContact O-CA 3.33Å; R106-L113 WeakPolarHBondContact CD-O 3.49Å; R106-D114 IonicContact NH1-OD1 3.83Å; R106-D114 PolarHBondContact NH1-OD1 3.02Å; R106-S116 PolarHBondContact NH1-OG 2.68Å
107	C	84.1	Confident	86.1	Confident	40 Å²	40	56.7 Å²	56.7	27%	0.27	29%	0.288	S	S	.	.	H	α-helix	trans	-63.9	-38.7	178.7	-68.1	0	0	0	0	112.4	H103 I104 Y363	H103-C107 PolarHBondContact O-N 2.94Å; H103-C107 PolarHBondContact O-SG 3.04Å; I104-C107 WeakPolarHBondContact O-CB 3.1Å; I104-C107 PolarHBondContact O-N 3.3Å; I104-C107 VanDerWaalsContact O-N 3.14Å; C107-Y363 HydrophobicContact CB-CE1 4.33Å; C107-Y363 WeakPolarHBondContact SG-CE2 3.45Å; C107-Y363 VanDerWaalsContact SG-CZ 3.53Å
108	M	85.8	Confident	86	Confident	131 Å²	131	54.4 Å²	54.4	65%	0.645	27%	0.27	S	S	*	.	H	α-helix	trans	-87.9	-39.9	-172.9	-69.8	-179.5	174.1	0	0	113.9	I104 H105 R106	I104-M108 HydrophobicContact CG2-CE 3.75Å; I104-M108 HydrophobicContact CG2-CG 4.38Å; I104-M108 HydrophobicContact CG2-SD 3.72Å; I104-M108 WeakPolarHBondContact O-CG 3.3Å; I104-M108 PolarHBondContact O-N 3.12Å; H105-M108 PolarHBondContact O-N 2.94Å; R106-M108 VanDerWaalsContact C-N 3.34Å; R106-M108 PolarHBondContact O-N 3.06Å
109	Y	84	Confident	85.9	Confident	171 Å²	171	52.5 Å²	52.5	67%	0.671	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.5	-41.2	-165.4	-57.9	-72.5	0	0	0	113.9	H105	H105-Y109 AromaticContact CD2-CD2 3.59Å; H105-Y109 AromaticContact NE2-CD2 3.94Å; H105-Y109 PolarHBondContact O-N 3.44Å
110	N	76.6	Confident	85.9	Confident	65 Å²	65	53.8 Å²	53.8	35%	0.348	27%	0.268	S	S	.	.			trans	-145.5	88.4	-174.1	-169.6	-6.4	0	0	0	112.5	H105 R106 R112 L113	H105-N110 PolarHBondContact O-N 3.02Å; R106-N110 WeakPolarHBondContact CA-O 3.36Å; R106-N110 WeakPolarHBondContact CG-O 3.4Å; R106-N110 CarbonylContact O-C 3.24Å; N110-R112 PolarHBondContact O-N 3.02Å; N110-R112 VanDerWaalsContact O-N 3.1Å; N110-R112 WeakPolarHBondContact OD1-CB 3.44Å; N110-R112 PolarHBondContact OD1-N 3.21Å; N110-R112 VanDerWaalsContact OD1-N 3.11Å; N110-L113 HydrophobicContact CB-CB 4.17Å; N110-L113 VanDerWaalsContact O-CB 3.3Å; N110-L113 WeakPolarHBondContact O-CB 3.36Å; N110-L113 PolarHBondContact O-N 2.95Å; N110-L113 PolarHBondContact OD1-N 3.04Å
111	P	72.2	Confident	86	Confident	77 Å²	77	53.8 Å²	53.8	50%	0.5	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-19.5	177.5	-25.8	35.5	0	0	0	114.5	R106	R106-P111 PolarHBondContact NE-O 3.07Å; R106-P111 WeakPolarHBondContact O-CA 3.33Å
112	R	65.9	Low	86.1	Confident	202 Å²	202	50.3 Å²	50.3	76%	0.762	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	-14.6	178.6	-57	-176.7	-179.2	178.8	-0.3	113	N110 D114	N110-R112 PolarHBondContact O-N 3.02Å; N110-R112 VanDerWaalsContact O-N 3.1Å; N110-R112 WeakPolarHBondContact OD1-CB 3.44Å; N110-R112 PolarHBondContact OD1-N 3.21Å; N110-R112 VanDerWaalsContact OD1-N 3.11Å; R112-D114 PolarHBondContact O-N 3.38Å; R112-D114 VanDerWaalsContact O-N 3.07Å
113	L	59.1	Low	86.3	Confident	24 Å²	24	49.9 Å²	49.9	13%	0.126	24%	0.241	C	C	.	.			trans	-68.6	102.5	177.7	-168.7	84	0	0	0	110.8	L64 R106 N110	L64-L113 HydrophobicContact CD1-CD1 3.27Å; L64-L113 HydrophobicContact CD1-CG 4.07Å; L64-L113 HydrophobicContact CD2-CD1 3.58Å; L64-L113 HydrophobicContact CG-CD1 4.04Å; R106-L113 WeakPolarHBondContact CD-O 3.49Å; N110-L113 HydrophobicContact CB-CB 4.17Å; N110-L113 VanDerWaalsContact O-CB 3.3Å; N110-L113 WeakPolarHBondContact O-CB 3.36Å; N110-L113 PolarHBondContact O-N 2.95Å; N110-L113 PolarHBondContact OD1-N 3.04Å
114	D	76.9	Confident	86.6	Confident	64 Å²	64	49.8 Å²	49.8	34%	0.342	24%	0.24	S	C	.	.			trans	-121.1	48	-175.7	-154.4	8.6	0	0	0	116.3	Y61 R106 R112 S116	Y61-D114 WeakPolarHBondContact CE1-O 3.32Å; R106-D114 IonicContact NH1-OD1 3.83Å; R106-D114 PolarHBondContact NH1-OD1 3.02Å; R112-D114 PolarHBondContact O-N 3.38Å; R112-D114 VanDerWaalsContact O-N 3.07Å; D114-S116 PolarHBondContact O-N 3.48Å; D114-S116 PolarHBondContact OD1-OG 2.99Å
115	I	90.1	Very high	86.9	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.226	C	C	.	.			trans	-73.3	-8.6	160.5	-168.8	60.3	0	0	0	112.1	Y61 L64 H67 M68 V102 A117 A118 L119	Y61-I115 HydrophobicContact CD1-CD1 4.03Å; Y61-I115 HydrophobicContact CD2-CD1 3.39Å; Y61-I115 HydrophobicContact CE2-CD1 3.94Å; Y61-I115 HydrophobicContact CG-CD1 3.44Å; Y61-I115 VanDerWaalsContact CG-CD1 3.44Å; L64-I115 HydrophobicContact CB-CB 4.08Å; L64-I115 HydrophobicContact CB-CG1 4.35Å; L64-I115 HydrophobicContact CB-CG2 4.44Å; H67-I115 HydrophobicContact CB-CG1 4.46Å; M68-I115 HydrophobicContact CG-CD1 4.27Å; M68-I115 HydrophobicContact SD-CD1 4.37Å; V102-I115 HydrophobicContact CG1-CG2 4.11Å; I115-A117 VanDerWaalsContact C-N 3.32Å; I115-A117 PolarHBondContact O-N 3.25Å; I115-A118 HydrophobicContact CD1-CB 4.06Å; I115-A118 PolarHBondContact O-N 3.37Å; I115-L119 HydrophobicContact CG1-CD1 4.44Å; I115-L119 HydrophobicContact CG1-CG 4.28Å; I115-L119 HydrophobicContact CG2-CD1 4Å; I115-L119 PolarHBondContact O-N 3.25Å; I115-L119 VanDerWaalsContact O-N 3.16Å
116	S	91.1	Very high	87.3	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.021	21%	0.207	C	C	.	.	H	α-helix	trans	-60.2	-38.9	-170.2	72.7	0	0	0	0	112.9	R106 D114 A118 L119 M120	R106-S116 PolarHBondContact NH1-OG 2.68Å; D114-S116 PolarHBondContact O-N 3.48Å; D114-S116 PolarHBondContact OD1-OG 2.99Å; S116-A118 PolarHBondContact O-N 2.93Å; S116-L119 PolarHBondContact O-N 3.27Å; S116-M120 WeakPolarHBondContact O-CB 3.47Å; S116-M120 WeakPolarHBondContact O-CG 3.32Å; S116-M120 PolarHBondContact O-N 2.86Å
117	A	90.2	Very high	87.9	Confident	31 Å²	31	40.4 Å²	40.4	26%	0.256	20%	0.197	S	C	.	.	H	α-helix	trans	-61.4	-42.8	177.8	0	0	0	0	0	112.9	I115 M120 V121	I115-A117 VanDerWaalsContact C-N 3.32Å; I115-A117 PolarHBondContact O-N 3.25Å; A117-M120 WeakPolarHBondContact O-CB 3.35Å; A117-M120 PolarHBondContact O-N 2.94Å; A117-V121 PolarHBondContact O-N 3.26Å
118	A	94.1	Very high	88.5	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-66.9	-41.4	177	0	0	0	0	0	111.5	Y61 M68 I115 S116 M120 V121 Q122	Y61-A118 HydrophobicContact CE2-CB 3.89Å; M68-A118 HydrophobicContact CE-CB 4.25Å; M68-A118 HydrophobicContact SD-CB 3.99Å; I115-A118 HydrophobicContact CD1-CB 4.06Å; I115-A118 PolarHBondContact O-N 3.37Å; S116-A118 PolarHBondContact O-N 2.93Å; A118-M120 VanDerWaalsContact C-N 3.32Å; A118-M120 PolarHBondContact O-N 2.91Å; A118-V121 PolarHBondContact O-N 3.42Å; A118-Q122 WeakPolarHBondContact O-CB 3.37Å; A118-Q122 PolarHBondContact O-N 2.9Å
119	L	95.8	Very high	89.1	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-65.7	-33.4	174.6	-67.7	174.3	0	0	0	112.5	H67 M68 Q71 Y98 L99 V102 I115 S116 Q122 T123	H67-L119 HydrophobicContact CB-CD1 4.16Å; H67-L119 HydrophobicContact CB-CD2 4.25Å; M68-L119 HydrophobicContact CG-CD2 4.17Å; Q71-L119 HydrophobicContact CB-CD2 4.28Å; Y98-L119 HydrophobicContact CE1-CD1 4.34Å; Y98-L119 HydrophobicContact CE1-CD2 4.26Å; L99-L119 HydrophobicContact CD1-CB 3.78Å; V102-L119 HydrophobicContact CB-CD1 4.18Å; V102-L119 HydrophobicContact CG1-CD1 4.04Å; V102-L119 HydrophobicContact CG2-CD1 3.83Å; I115-L119 HydrophobicContact CG1-CD1 4.44Å; I115-L119 HydrophobicContact CG1-CG 4.28Å; I115-L119 HydrophobicContact CG2-CD1 4Å; I115-L119 PolarHBondContact O-N 3.25Å; I115-L119 VanDerWaalsContact O-N 3.16Å; S116-L119 PolarHBondContact O-N 3.27Å; L119-Q122 PolarHBondContact O-N 3.43Å; L119-T123 VanDerWaalsContact O-CB 3.32Å; L119-T123 WeakPolarHBondContact O-CB 3.47Å; L119-T123 PolarHBondContact O-N 2.96Å; L119-T123 PolarHBondContact O-OG1 3.48Å
120	M	96.2	Very high	89.8	Confident	27 Å²	27	24.3 Å²	24.3	13%	0.133	12%	0.123	C	C	.	.	H	α-helix	trans	-61.2	-46.7	174.1	-79	168.9	76.2	0	0	110.7	L99 S116 A117 A118 Q124 W359	L99-M120 HydrophobicContact CD1-CG 3.94Å; L99-M120 HydrophobicContact CD2-CG 3.86Å; S116-M120 WeakPolarHBondContact O-CB 3.47Å; S116-M120 WeakPolarHBondContact O-CG 3.32Å; S116-M120 PolarHBondContact O-N 2.86Å; A117-M120 WeakPolarHBondContact O-CB 3.35Å; A117-M120 PolarHBondContact O-N 2.94Å; A118-M120 VanDerWaalsContact C-N 3.32Å; A118-M120 PolarHBondContact O-N 2.91Å; M120-Q124 WeakPolarHBondContact O-CG 3.41Å; M120-Q124 PolarHBondContact O-N 2.87Å; M120-W359 HydrophobicContact CB-CZ2 3.73Å; M120-W359 HydrophobicContact CE-CD2 3.49Å; M120-W359 VanDerWaalsContact CE-CD2 3.49Å; M120-W359 HydrophobicContact CE-CE3 3.36Å; M120-W359 HydrophobicContact CE-CG 4.34Å; M120-W359 HydrophobicContact CE-CH2 3.38Å; M120-W359 HydrophobicContact CE-CZ2 3.51Å; M120-W359 HydrophobicContact CE-CZ3 3.3Å; M120-W359 WeakPolarHBondContact CE-O 3.5Å; M120-W359 HydrophobicContact CG-CD2 4.41Å; M120-W359 HydrophobicContact CG-CZ2 4.34Å; M120-W359 PolarHBondContact O-NE1 3.32Å
121	V	96.2	Very high	90.8	Very high	8 Å²	8	21.2 Å²	21.2	5%	0.048	11%	0.107	C	C	.	.	H	α-helix	trans	-65.5	-42.8	174.8	177.7	0	0	0	0	111	A117 A118 T123 Q124 K125 F179	A117-V121 PolarHBondContact O-N 3.26Å; A118-V121 PolarHBondContact O-N 3.42Å; V121-T123 VanDerWaalsContact C-N 3.33Å; V121-T123 PolarHBondContact O-N 3.35Å; V121-Q124 WeakPolarHBondContact O-CB 3.37Å; V121-Q124 PolarHBondContact O-N 2.64Å; V121-K125 HydrophobicContact CG1-CD 4.39Å; V121-K125 HydrophobicContact CG1-CG 4.47Å; V121-K125 WeakPolarHBondContact O-CG 3.29Å; V121-K125 PolarHBondContact O-N 3.17Å; V121-F179 HydrophobicContact CG1-CB 4.48Å
122	Q	97.2	Very high	92	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.009	8%	0.084	C	C	.	.	H	α-helix	trans	-66	-35.7	-179	-165.3	176	40.1	0	0	112.4	M68 Q71 A118 L119 Q124 K125 L126 L168	M68-Q122 PolarHBondContact O-NE2 2.95Å; M68-Q122 PolarHBondContact O-OE1 2.87Å; M68-Q122 VanDerWaalsContact O-OE1 3.12Å; Q71-Q122 VanDerWaalsContact OE1-OE1 3.13Å; A118-Q122 WeakPolarHBondContact O-CB 3.37Å; A118-Q122 PolarHBondContact O-N 2.9Å; L119-Q122 PolarHBondContact O-N 3.43Å; Q122-Q124 VanDerWaalsContact C-N 3.31Å; Q122-Q124 PolarHBondContact O-N 3.35Å; Q122-K125 PolarHBondContact O-N 3.44Å; Q122-L126 HydrophobicContact CG-CD1 3.95Å; Q122-L126 HydrophobicContact CG-CG 4.27Å; Q122-L126 WeakPolarHBondContact O-CB 3.41Å; Q122-L126 WeakPolarHBondContact O-CG 3.49Å; Q122-L126 PolarHBondContact O-N 2.86Å; Q122-L168 HydrophobicContact CG-CD2 4.14Å
123	T	97.9	Very high	93.5	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-58.1	-44.3	171.9	-60.1	0	0	0	0	111	Q71 M96 L119 V121 S127	Q71-T123 PolarHBondContact NE2-OG1 3.22Å; M96-T123 HydrophobicContact CG-CG2 4.22Å; M96-T123 HydrophobicContact SD-CG2 3.77Å; L119-T123 VanDerWaalsContact O-CB 3.32Å; L119-T123 WeakPolarHBondContact O-CB 3.47Å; L119-T123 PolarHBondContact O-N 2.96Å; L119-T123 PolarHBondContact O-OG1 3.48Å; V121-T123 VanDerWaalsContact C-N 3.33Å; V121-T123 PolarHBondContact O-N 3.35Å; T123-S127 WeakPolarHBondContact O-CB 3.49Å; T123-S127 PolarHBondContact O-N 3.22Å; T123-S127 PolarHBondContact O-OG 2.85Å
124	Q	98.2	Very high	95.2	Very high	3 Å²	3	8 Å²	8	1%	0.014	5%	0.047	C	C	.	.	H	α-helix	trans	-64.3	-45.3	176.1	-61.8	173.3	-36.6	0	0	111.1	M120 V121 Q122 S127 S128 F179 T331 W334	M120-Q124 WeakPolarHBondContact O-CG 3.41Å; M120-Q124 PolarHBondContact O-N 2.87Å; V121-Q124 WeakPolarHBondContact O-CB 3.37Å; V121-Q124 PolarHBondContact O-N 2.64Å; Q122-Q124 VanDerWaalsContact C-N 3.31Å; Q122-Q124 PolarHBondContact O-N 3.35Å; Q124-S127 PolarHBondContact O-OG 2.72Å; Q124-S128 WeakPolarHBondContact O-CB 3.4Å; Q124-S128 PolarHBondContact O-N 3.35Å; Q124-S128 PolarHBondContact O-OG 2.94Å; Q124-F179 HydrophobicContact CB-CB 4.05Å; Q124-F179 HydrophobicContact CB-CD1 4.3Å; Q124-F179 HydrophobicContact CB-CD2 3.84Å; Q124-F179 HydrophobicContact CB-CE2 4.45Å; Q124-F179 HydrophobicContact CB-CG 3.77Å; Q124-T331 PolarHBondContact NE2-OG1 3.34Å; Q124-W334 HydrophobicContact CB-CB 4.45Å; Q124-W334 HydrophobicContact CB-CD2 4.24Å; Q124-W334 HydrophobicContact CB-CG 4.01Å; Q124-W334 HydrophobicContact CG-CB 4.35Å; Q124-W334 HydrophobicContact CG-CD2 3.61Å; Q124-W334 HydrophobicContact CG-CE3 3.79Å; Q124-W334 HydrophobicContact CG-CG 3.84Å; Q124-W334 HydrophobicContact CG-CZ3 4.31Å
125	K	98.1	Very high	96.2	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-60.1	-49.5	178.7	-74.9	-173.9	-179.5	-178.2	0	112.9	V121 Q122 L129 Y167 L168 F179	V121-K125 HydrophobicContact CG1-CD 4.39Å; V121-K125 HydrophobicContact CG1-CG 4.47Å; V121-K125 WeakPolarHBondContact O-CG 3.29Å; V121-K125 PolarHBondContact O-N 3.17Å; Q122-K125 PolarHBondContact O-N 3.44Å; K125-L129 VanDerWaalsContact O-CB 3.25Å; K125-L129 WeakPolarHBondContact O-CB 3.36Å; K125-L129 PolarHBondContact O-N 2.98Å; K125-Y167 WeakPolarHBondContact CA-OH 3.45Å; K125-Y167 HydrophobicContact CB-CE1 3.63Å; K125-Y167 HydrophobicContact CD-CE1 4.26Å; K125-Y167 HydrophobicContact CD-CE2 4.2Å; K125-Y167 WeakPolarHBondContact CD-O 3.42Å; K125-Y167 WeakPolarHBondContact CE-O 3.41Å; K125-Y167 HydrophobicContact CG-CE1 4.07Å; K125-Y167 HydrophobicContact CG-CE2 4.18Å; K125-Y167 PolarHBondContact NZ-O 3.04Å; K125-Y167 PolarHBondContact O-OH 2.74Å; K125-L168 HydrophobicContact CB-CD2 3.83Å; K125-L168 HydrophobicContact CD-CD2 4.26Å; K125-L168 PolarHBondContact NZ-O 3.29Å; K125-L168 VanDerWaalsContact NZ-O 3.1Å; K125-F179 HydrophobicContact CB-CD2 4.36Å; K125-F179 HydrophobicContact CG-CD2 3.67Å; K125-F179 HydrophobicContact CG-CE2 4.24Å
126	L	98	Very high	96.5	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-69.3	-47.6	-176.6	-72.9	170.4	0	0	0	112	Q71 A75 I91 Q122 L129 A130 L168	Q71-L126 HydrophobicContact CG-CD1 3.93Å; A75-L126 HydrophobicContact CB-CD1 3.96Å; A75-L126 HydrophobicContact CB-CD2 3.92Å; A75-L126 HydrophobicContact CB-CG 4.38Å; I91-L126 HydrophobicContact CG2-CB 4.1Å; Q122-L126 HydrophobicContact CG-CD1 3.95Å; Q122-L126 HydrophobicContact CG-CG 4.27Å; Q122-L126 WeakPolarHBondContact O-CB 3.41Å; Q122-L126 WeakPolarHBondContact O-CG 3.49Å; Q122-L126 PolarHBondContact O-N 2.86Å; L126-L129 PolarHBondContact O-N 3.44Å; L126-A130 WeakPolarHBondContact O-CB 3.32Å; L126-A130 PolarHBondContact O-N 3.03Å; L126-L168 HydrophobicContact CD2-CD1 3.93Å; L126-L168 HydrophobicContact CD2-CD2 3.85Å; L126-L168 HydrophobicContact CG-CD2 4Å
127	S	98	Very high	96.7	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-64.7	-45	179	57	0	0	0	0	111.6	T123 Q124 L129 A130 F131 W334	T123-S127 WeakPolarHBondContact O-CB 3.49Å; T123-S127 PolarHBondContact O-N 3.22Å; T123-S127 PolarHBondContact O-OG 2.85Å; Q124-S127 PolarHBondContact O-OG 2.72Å; S127-L129 PolarHBondContact O-N 2.97Å; S127-A130 PolarHBondContact O-N 3.35Å; S127-F131 WeakPolarHBondContact O-CD2 3.32Å; S127-F131 PolarHBondContact O-N 2.89Å; S127-W334 PolarHBondContact OG-NE1 3.44Å
128	S	97.9	Very high	96.9	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-60.3	-47	176.5	-55.8	0	0	0	0	111.6	Q124 A130 F131 N132 F179	Q124-S128 WeakPolarHBondContact O-CB 3.4Å; Q124-S128 PolarHBondContact O-N 3.35Å; Q124-S128 PolarHBondContact O-OG 2.94Å; S128-A130 VanDerWaalsContact C-N 3.28Å; S128-A130 PolarHBondContact O-N 3.23Å; S128-F131 PolarHBondContact O-N 3.07Å; S128-N132 WeakPolarHBondContact O-CB 3.34Å; S128-N132 PolarHBondContact O-N 3.49Å; S128-N132 PolarHBondContact O-OD1 3Å; S128-F179 WeakPolarHBondContact OG-CZ 3.39Å
129	L	98	Very high	96.9	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-57	-42.7	176.9	173.5	59.5	0	0	0	111.7	M79 K125 L126 S127 N132 I133 V155 P159 L164 Y167 F182	M79-L129 HydrophobicContact CE-CB 4.23Å; M79-L129 HydrophobicContact CE-CD2 3.74Å; M79-L129 HydrophobicContact CE-CG 3.81Å; M79-L129 HydrophobicContact SD-CD2 4.02Å; M79-L129 HydrophobicContact SD-CG 4.23Å; K125-L129 VanDerWaalsContact O-CB 3.25Å; K125-L129 WeakPolarHBondContact O-CB 3.36Å; K125-L129 PolarHBondContact O-N 2.98Å; L126-L129 PolarHBondContact O-N 3.44Å; S127-L129 PolarHBondContact O-N 2.97Å; L129-N132 PolarHBondContact O-N 3.08Å; L129-I133 HydrophobicContact CD1-CD1 3.89Å; L129-I133 HydrophobicContact CD1-CG1 4.12Å; L129-I133 HydrophobicContact CG-CD1 4.04Å; L129-I133 VanDerWaalsContact O-CG1 3.3Å; L129-I133 WeakPolarHBondContact O-CG1 3.26Å; L129-I133 PolarHBondContact O-N 2.89Å; L129-V155 HydrophobicContact CD1-CG2 4.37Å; L129-P159 HydrophobicContact CD1-CG 4.43Å; L129-P159 HydrophobicContact CD2-CG 3.82Å; L129-L164 HydrophobicContact CD2-CD1 3.68Å; L129-Y167 HydrophobicContact CB-CE1 4.46Å; L129-Y167 HydrophobicContact CD2-CE1 4.45Å; L129-F182 HydrophobicContact CD1-CB 3.78Å; L129-F182 HydrophobicContact CD1-CD1 3.93Å; L129-F182 HydrophobicContact CD1-CD2 4.39Å; L129-F182 HydrophobicContact CD1-CG 3.76Å
130	A	97.8	Very high	96.8	Very high	4 Å²	4	15.8 Å²	15.8	3%	0.033	9%	0.09	C	C	.	.	H	α-helix	trans	-64	-45	179.1	0	0	0	0	0	112.3	M79 Q88 I91 L126 S127 S128 I133 G134	M79-A130 HydrophobicContact CE-CB 4.16Å; Q88-A130 HydrophobicContact CB-CB 4.41Å; I91-A130 HydrophobicContact CB-CB 3.97Å; I91-A130 HydrophobicContact CD1-CB 3.6Å; I91-A130 HydrophobicContact CG1-CB 4.37Å; I91-A130 HydrophobicContact CG2-CB 4.12Å; L126-A130 WeakPolarHBondContact O-CB 3.32Å; L126-A130 PolarHBondContact O-N 3.03Å; S127-A130 PolarHBondContact O-N 3.35Å; S128-A130 VanDerWaalsContact C-N 3.28Å; S128-A130 PolarHBondContact O-N 3.23Å; A130-I133 PolarHBondContact O-N 3Å; A130-G134 PolarHBondContact O-N 2.91Å
131	F	97.6	Very high	96.7	Very high	1 Å²	1	22.3 Å²	22.3	0%	0.004	12%	0.118	C	C	.	.	H	α-helix	trans	-64.5	-40.2	174.5	-80.9	-66	0	0	0	112.5	Q88 Y89 L92 S127 S128 I133 G134 D135 C338 R342	Q88-F131 HydrophobicContact CB-CD1 3.61Å; Q88-F131 HydrophobicContact CB-CE1 3.81Å; Q88-F131 HydrophobicContact CB-CG 4.07Å; Q88-F131 HydrophobicContact CB-CZ 4.42Å; Q88-F131 HydrophobicContact CG-CD1 3.89Å; Q88-F131 HydrophobicContact CG-CE1 3.74Å; Y89-F131 HydrophobicContact CD1-CE1 4.05Å; Y89-F131 AromaticContact CD1-CZ 3.9Å; Y89-F131 HydrophobicContact CD1-CZ 3.9Å; Y89-F131 AromaticContact CE1-CE1 3.8Å; Y89-F131 HydrophobicContact CE1-CE1 3.8Å; Y89-F131 AromaticContact CE1-CZ 3.99Å; Y89-F131 HydrophobicContact CE1-CZ 3.99Å; L92-F131 HydrophobicContact CB-CE2 4.17Å; L92-F131 HydrophobicContact CD2-CE2 4Å; L92-F131 HydrophobicContact CD2-CZ 4.18Å; S127-F131 WeakPolarHBondContact O-CD2 3.32Å; S127-F131 PolarHBondContact O-N 2.89Å; S128-F131 PolarHBondContact O-N 3.07Å; F131-I133 PolarHBondContact O-N 3.41Å; F131-G134 CarbonylContact O-C 3.54Å; F131-G134 WeakPolarHBondContact O-CA 3.4Å; F131-G134 PolarHBondContact O-N 3.24Å; F131-G134 VanDerWaalsContact O-N 3.1Å; F131-D135 PolarHBondContact O-N 3.22Å; F131-C338 HydrophobicContact CD2-CB 3.85Å; F131-C338 HydrophobicContact CE2-CB 3.93Å; F131-R342 VanDerWaalsContact CD1-CZ 3.43Å; F131-R342 VanDerWaalsContact CD1-NE 3.26Å
132	N	97.7	Very high	96.4	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.011	16%	0.158	C	C	.	.	H	α-helix	trans	-66	-36.6	178.1	-67.6	150.9	0	0	0	112.8	S128 L129 G134 D135 G136 H153 V155 F181	S128-N132 WeakPolarHBondContact O-CB 3.34Å; S128-N132 PolarHBondContact O-N 3.49Å; S128-N132 PolarHBondContact O-OD1 3Å; L129-N132 PolarHBondContact O-N 3.08Å; N132-G134 VanDerWaalsContact C-N 3.33Å; N132-D135 PolarHBondContact O-N 2.66Å; N132-G136 PolarHBondContact O-N 3.33Å; N132-H153 VanDerWaalsContact CB-O 3.24Å; N132-H153 WeakPolarHBondContact CB-O 3.33Å; N132-H153 WeakPolarHBondContact ND2-CB 3.46Å; N132-V155 HydrophobicContact CB-CB 4.4Å; N132-V155 HydrophobicContact CB-CG2 3.96Å; N132-V155 PolarHBondContact O-N 3.35Å; N132-F181 WeakPolarHBondContact OD1-CD1 3.44Å
133	I	97.2	Very high	96.2	Very high	20 Å²	20	33.3 Å²	33.3	10%	0.103	18%	0.175	C	C	.	.	H	α-helix	trans	-63.8	-42.5	169.8	-68.5	165.4	0	0	0	110	M79 L129 A130 F131 D135 G136 V137 V155 R158	M79-I133 HydrophobicContact SD-CD1 3.97Å; L129-I133 HydrophobicContact CD1-CD1 3.89Å; L129-I133 HydrophobicContact CD1-CG1 4.12Å; L129-I133 HydrophobicContact CG-CD1 4.04Å; L129-I133 VanDerWaalsContact O-CG1 3.3Å; L129-I133 WeakPolarHBondContact O-CG1 3.26Å; L129-I133 PolarHBondContact O-N 2.89Å; A130-I133 PolarHBondContact O-N 3Å; F131-I133 PolarHBondContact O-N 3.41Å; I133-D135 VanDerWaalsContact C-N 3.32Å; I133-D135 PolarHBondContact O-N 2.84Å; I133-G136 PolarHBondContact O-N 3.14Å; I133-V137 HydrophobicContact CG2-CG2 4.43Å; I133-V137 WeakPolarHBondContact O-CG2 3.22Å; I133-V137 PolarHBondContact O-N 2.96Å; I133-V155 WeakPolarHBondContact CA-O 3.32Å; I133-V155 HydrophobicContact CG1-CB 3.98Å; I133-V155 HydrophobicContact CG1-CG1 3.89Å; I133-R158 HydrophobicContact CD1-CB 4.41Å
134	G	95.9	Very high	95.9	Very high	2 Å²	2	39.2 Å²	39.2	2%	0.021	21%	0.211	C	C	.	.	H	α-helix	trans	-54.3	-46.9	173.4	0	0	0	0	0	112.7	A130 F131 N132 V137 K138	A130-G134 PolarHBondContact O-N 2.91Å; F131-G134 CarbonylContact O-C 3.54Å; F131-G134 WeakPolarHBondContact O-CA 3.4Å; F131-G134 PolarHBondContact O-N 3.24Å; F131-G134 VanDerWaalsContact O-N 3.1Å; N132-G134 VanDerWaalsContact C-N 3.33Å; G134-V137 PolarHBondContact O-N 3.13Å; G134-K138 WeakPolarHBondContact O-CG 3.49Å; G134-K138 PolarHBondContact O-N 3.44Å
135	D	97	Very high	95.7	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.7	-41.9	178.2	-63.5	-21.3	0	0	0	112.3	F131 N132 I133 V137 K138 L139 V145 H150 A154 R342	F131-D135 PolarHBondContact O-N 3.22Å; N132-D135 PolarHBondContact O-N 2.66Å; I133-D135 VanDerWaalsContact C-N 3.32Å; I133-D135 PolarHBondContact O-N 2.84Å; D135-V137 VanDerWaalsContact C-N 3.33Å; D135-V137 PolarHBondContact O-N 3.49Å; D135-K138 WeakPolarHBondContact O-CB 3.22Å; D135-K138 PolarHBondContact O-N 2.84Å; D135-L139 WeakPolarHBondContact O-CG 3.33Å; D135-L139 PolarHBondContact O-N 3.02Å; D135-V145 HydrophobicContact CB-CG1 3.84Å; D135-H150 IonicContact OD2-CG 3.94Å; D135-A154 HydrophobicContact CB-CB 4.3Å; D135-R342 VanDerWaalsContact CG-NH2 3.31Å; D135-R342 IonicContact OD1-CZ 3.7Å; D135-R342 IonicContact OD1-NH1 3.84Å; D135-R342 PolarHBondContact OD1-NH1 3.03Å; D135-R342 IonicContact OD1-NH2 2.67Å; D135-R342 PolarHBondContact OD1-NH2 3.27Å; D135-R342 IonicContact OD2-CZ 4Å; D135-R342 IonicContact OD2-NH1 3.8Å; D135-R342 IonicContact OD2-NH2 2.98Å; D135-R342 PolarHBondContact OD2-NH2 2.96Å
136	G	96.5	Very high	95.4	Very high	4 Å²	4	43.5 Å²	43.5	4%	0.041	24%	0.235	C	C	.	.	H	α-helix	trans	-61	-39.6	175	0	0	0	0	0	113	N132 I133 L139 S140	N132-G136 PolarHBondContact O-N 3.33Å; I133-G136 PolarHBondContact O-N 3.14Å; G136-L139 PolarHBondContact O-N 2.97Å; G136-S140 PolarHBondContact O-N 3.15Å; G136-S140 PolarHBondContact O-OG 3.06Å
137	V	94.7	Very high	95.2	Very high	38 Å²	38	47.1 Å²	47.1	23%	0.23	25%	0.252	C	S	.	.	H	α-helix	trans	-68.1	-35.2	174.6	173.2	0	0	0	0	112.2	I133 G134 D135 S140 K141	I133-V137 HydrophobicContact CG2-CG2 4.43Å; I133-V137 WeakPolarHBondContact O-CG2 3.22Å; I133-V137 PolarHBondContact O-N 2.96Å; G134-V137 PolarHBondContact O-N 3.13Å; D135-V137 VanDerWaalsContact C-N 3.33Å; D135-V137 PolarHBondContact O-N 3.49Å; V137-S140 PolarHBondContact O-OG 2.89Å; V137-K141 WeakPolarHBondContact O-CG 3.36Å; V137-K141 PolarHBondContact O-N 3.1Å
138	K	94.2	Very high	94.9	Very high	73 Å²	73	52.7 Å²	52.7	32%	0.317	28%	0.282	S	S	.	.	H	α-helix	trans	-65.8	-46.8	173.8	-73.5	176.3	-179	179.2	0	111.1	G134 D135 K141 G143	G134-K138 WeakPolarHBondContact O-CG 3.49Å; G134-K138 PolarHBondContact O-N 3.44Å; D135-K138 WeakPolarHBondContact O-CB 3.22Å; D135-K138 PolarHBondContact O-N 2.84Å; K138-K141 CarbonylContact O-C 3.11Å; K138-K141 PolarHBondContact O-N 2.86Å; K138-K141 VanDerWaalsContact O-N 3.16Å; K138-G143 WeakPolarHBondContact O-CA 3.07Å; K138-G143 PolarHBondContact O-N 2.71Å
139	L	95.4	Very high	94.5	Very high	56 Å²	56	55.7 Å²	55.7	29%	0.293	29%	0.294	S	S	.	.	H	α-helix	trans	-64.3	-40.3	-179	-70.4	170.4	0	0	0	112.1	D135 G136 K141 K142 V145 K151 A154	D135-L139 WeakPolarHBondContact O-CG 3.33Å; D135-L139 PolarHBondContact O-N 3.02Å; G136-L139 PolarHBondContact O-N 2.97Å; L139-K141 PolarHBondContact O-N 3.24Å; L139-K142 WeakPolarHBondContact O-CA 3.42Å; L139-K142 PolarHBondContact O-N 3.04Å; L139-V145 HydrophobicContact CD1-CG1 4.15Å; L139-V145 HydrophobicContact CD2-CG1 4.07Å; L139-V145 HydrophobicContact CG-CG1 3.94Å; L139-K151 HydrophobicContact CD1-CB 4.44Å; L139-K151 HydrophobicContact CD1-CG 4.23Å; L139-K151 HydrophobicContact CD2-CG 4.39Å; L139-A154 HydrophobicContact CD1-CB 3.62Å
140	S	93.6	Very high	94.4	Very high	91 Å²	91	55.7 Å²	55.7	64%	0.636	29%	0.294	S	S	*	.	H	α-helix	trans	-63.4	-23.6	176.3	68.7	0	0	0	0	113.3	G136 V137 K142	G136-S140 PolarHBondContact O-N 3.15Å; G136-S140 PolarHBondContact O-OG 3.06Å; V137-S140 PolarHBondContact O-OG 2.89Å; S140-K142 VanDerWaalsContact C-N 3.33Å
141	K	93.1	Very high	94.2	Very high	164 Å²	164	60.6 Å²	60.6	71%	0.713	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	17.3	172.8	-63.7	-179.3	-178.7	-175.3	0	113.5	V137 K138 L139 G143	V137-K141 WeakPolarHBondContact O-CG 3.36Å; V137-K141 PolarHBondContact O-N 3.1Å; K138-K141 CarbonylContact O-C 3.11Å; K138-K141 PolarHBondContact O-N 2.86Å; K138-K141 VanDerWaalsContact O-N 3.16Å; L139-K141 PolarHBondContact O-N 3.24Å; K141-G143 PolarHBondContact O-N 2.83Å
142	K	91.1	Very high	94	Very high	206 Å²	206	63.2 Å²	63.2	90%	0.896	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	23.7	-175.9	-55	-178	179.4	-179.6	0	114.1	L139 S140	L139-K142 WeakPolarHBondContact O-CA 3.42Å; L139-K142 PolarHBondContact O-N 3.04Å; S140-K142 VanDerWaalsContact C-N 3.33Å
143	G	91.5	Very high	93.9	Very high	35 Å²	35	63.2 Å²	63.2	36%	0.361	33%	0.328	S	S	.	.			trans	-78	176.1	172.7	0	0	0	0	0	112.5	K138 K141	K138-G143 WeakPolarHBondContact O-CA 3.07Å; K138-G143 PolarHBondContact O-N 2.71Å; K141-G143 PolarHBondContact O-N 2.83Å
144	T	93.1	Very high	93.9	Very high	125 Å²	125	63.5 Å²	63.5	77%	0.767	33%	0.333	S	S	*	.			trans	-103.8	159.4	173.6	56.8	0	0	0	0	111.1
145	V	93.8	Very high	93.9	Very high	19 Å²	19	64 Å²	64	12%	0.115	34%	0.335	C	S	.	.			trans	-109.1	158	170.9	-68.7	0	0	0	0	109.2	D135 L139 Q147 H150 K151	D135-V145 HydrophobicContact CB-CG1 3.84Å; L139-V145 HydrophobicContact CD1-CG1 4.15Å; L139-V145 HydrophobicContact CD2-CG1 4.07Å; L139-V145 HydrophobicContact CG-CG1 3.94Å; V145-Q147 WeakPolarHBondContact CG2-O 3.24Å; V145-Q147 PolarHBondContact O-N 2.93Å; V145-H150 HydrophobicContact CB-CB 4Å; V145-H150 HydrophobicContact CG1-CB 4.44Å; V145-H150 HydrophobicContact CG2-CB 4.08Å; V145-K151 HydrophobicContact CG2-CD 4.47Å; V145-K151 HydrophobicContact CG2-CG 3.66Å
146	D	91.7	Very high	93.5	Very high	74 Å²	74	71.4 Å²	71.4	40%	0.396	37%	0.37	S	S	.	.	S	Bend	trans	-62.5	-29.7	-174.6	-58.3	-76.6	0	0	0	113.3
147	Q	93.7	Very high	93.2	Very high	76 Å²	76	80.8 Å²	80.8	36%	0.355	40%	0.404	S	S	.	.	S	Bend	trans	-144.4	146.4	-179.3	-63.7	-65.4	-55.6	0	0	110.5	V145 Y149 H150 D341	V145-Q147 WeakPolarHBondContact CG2-O 3.24Å; V145-Q147 PolarHBondContact O-N 2.93Å; Q147-Y149 VanDerWaalsContact C-N 3.29Å; Q147-Y149 HydrophobicContact CB-CD1 4Å; Q147-Y149 HydrophobicContact CB-CD2 4.31Å; Q147-Y149 HydrophobicContact CB-CE1 3.6Å; Q147-Y149 HydrophobicContact CB-CE2 3.87Å; Q147-Y149 HydrophobicContact CB-CG 4.36Å; Q147-Y149 HydrophobicContact CG-CE1 3.95Å; Q147-Y149 HydrophobicContact CG-CE2 4.34Å; Q147-Y149 PolarHBondContact O-N 2.82Å; Q147-H150 VanDerWaalsContact O-CB 3.29Å; Q147-H150 WeakPolarHBondContact O-CB 3.32Å; Q147-H150 PolarHBondContact O-N 3.36Å; Q147-D341 HydrophobicContact CG-CB 4.21Å
148	D	91.4	Very high	93.1	Very high	116 Å²	116	85.5 Å²	85.5	62%	0.62	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-35.5	-176.6	-78.7	-40.5	0	0	0	113.6	H150 K151	D148-H150 PolarHBondContact O-N 3.07Å; D148-K151 VanDerWaalsContact O-CB 3.23Å; D148-K151 WeakPolarHBondContact O-CB 3.33Å; D148-K151 WeakPolarHBondContact O-CG 3.42Å; D148-K151 PolarHBondContact O-N 3.27Å; D148-K151 IonicContact OD1-NZ 2.73Å; D148-K151 PolarHBondContact OD1-NZ 3.22Å
149	Y	90.7	Very high	93.2	Very high	64 Å²	64	82.1 Å²	82.1	25%	0.251	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-18	177.5	56.2	-103.3	0	0	0	113.5	Q147 K151 L152 R336 E337 D341	Q147-Y149 VanDerWaalsContact C-N 3.29Å; Q147-Y149 HydrophobicContact CB-CD1 4Å; Q147-Y149 HydrophobicContact CB-CD2 4.31Å; Q147-Y149 HydrophobicContact CB-CE1 3.6Å; Q147-Y149 HydrophobicContact CB-CE2 3.87Å; Q147-Y149 HydrophobicContact CB-CG 4.36Å; Q147-Y149 HydrophobicContact CG-CE1 3.95Å; Q147-Y149 HydrophobicContact CG-CE2 4.34Å; Q147-Y149 PolarHBondContact O-N 2.82Å; Y149-K151 PolarHBondContact O-N 3.35Å; Y149-L152 WeakPolarHBondContact O-CB 3.31Å; Y149-L152 PolarHBondContact O-N 2.86Å; Y149-L152 VanDerWaalsContact O-N 3.14Å; Y149-R336 WeakPolarHBondContact OH-CD 3.3Å; Y149-E337 HydrophobicContact CD2-CG 4.33Å; Y149-E337 HydrophobicContact CE2-CG 3.79Å; Y149-D341 PolarHBondContact OH-OD2 2.92Å
150	H	95.1	Very high	93.2	Very high	0 Å²	0	88.4 Å²	88.4	0%	0	42%	0.423	C	S	.	.	H	α-helix	trans	-63.2	-25.5	171.6	-66.1	172.8	0	0	0	111.5	D135 V145 Q147 D148 L152 H153 A154 E337 D341	D135-H150 IonicContact OD2-CG 3.94Å; V145-H150 HydrophobicContact CB-CB 4Å; V145-H150 HydrophobicContact CG1-CB 4.44Å; V145-H150 HydrophobicContact CG2-CB 4.08Å; Q147-H150 VanDerWaalsContact O-CB 3.29Å; Q147-H150 WeakPolarHBondContact O-CB 3.32Å; Q147-H150 PolarHBondContact O-N 3.36Å; D148-H150 PolarHBondContact O-N 3.07Å; H150-L152 VanDerWaalsContact C-N 3.28Å; H150-L152 PolarHBondContact O-N 3.41Å; H150-H153 PolarHBondContact O-N 3.44Å; H150-A154 PolarHBondContact O-N 3.17Å; H150-E337 IonicContact CD2-OE2 3.1Å; H150-D341 IonicContact NE2-OD2 3.24Å
151	K	94.2	Very high	93.3	Very high	107 Å²	107	89.6 Å²	89.6	47%	0.465	42%	0.422	S	S	.	.	H	α-helix	trans	-61.9	-35.9	174.8	-59.9	172	178.4	160.1	0	111.8	L139 V145 D148 Y149 H153 A154	L139-K151 HydrophobicContact CD1-CB 4.44Å; L139-K151 HydrophobicContact CD1-CG 4.23Å; L139-K151 HydrophobicContact CD2-CG 4.39Å; V145-K151 HydrophobicContact CG2-CD 4.47Å; V145-K151 HydrophobicContact CG2-CG 3.66Å; D148-K151 VanDerWaalsContact O-CB 3.23Å; D148-K151 WeakPolarHBondContact O-CB 3.33Å; D148-K151 WeakPolarHBondContact O-CG 3.42Å; D148-K151 PolarHBondContact O-N 3.27Å; D148-K151 IonicContact OD1-NZ 2.73Å; D148-K151 PolarHBondContact OD1-NZ 3.22Å; Y149-K151 PolarHBondContact O-N 3.35Å; K151-H153 VanDerWaalsContact C-N 3.26Å; K151-H153 PolarHBondContact O-N 2.94Å; K151-A154 WeakPolarHBondContact O-CB 3.13Å; K151-A154 PolarHBondContact O-N 3.14Å
152	L	92.8	Very high	93.5	Very high	56 Å²	56	85 Å²	85	29%	0.293	41%	0.405	S	S	.	.	H	α-helix	trans	-69.3	-23.1	-178.1	-67.5	172	0	0	0	113.7	Y149 H150 R187 L198	Y149-L152 WeakPolarHBondContact O-CB 3.31Å; Y149-L152 PolarHBondContact O-N 2.86Å; Y149-L152 VanDerWaalsContact O-N 3.14Å; H150-L152 VanDerWaalsContact C-N 3.28Å; H150-L152 PolarHBondContact O-N 3.41Å; L152-R187 PolarHBondContact O-NH1 2.94Å; L152-R187 PolarHBondContact O-NH2 3.5Å; L152-L198 HydrophobicContact CD2-CD2 3.94Å; L152-L198 HydrophobicContact CD2-CG 4.5Å
153	H	95	Very high	93.8	Very high	2 Å²	2	77.2 Å²	77.2	1%	0.009	37%	0.371	C	S	.	.	H	α-helix	trans	-107.2	-4.9	178.5	-50.3	140.9	0	0	0	113.1	N132 H150 K151 V155 F181 R333 E337	N132-H153 VanDerWaalsContact CB-O 3.24Å; N132-H153 WeakPolarHBondContact CB-O 3.33Å; N132-H153 WeakPolarHBondContact ND2-CB 3.46Å; H150-H153 PolarHBondContact O-N 3.44Å; K151-H153 VanDerWaalsContact C-N 3.26Å; K151-H153 PolarHBondContact O-N 2.94Å; H153-V155 WeakPolarHBondContact O-CG2 3.48Å; H153-V155 PolarHBondContact O-N 3.1Å; H153-F181 HydrophobicContact CB-CB 4.4Å; H153-F181 HydrophobicContact CB-CD1 4.11Å; H153-F181 HydrophobicContact CB-CG 4.29Å; H153-F181 AromaticContact CD2-CG 3.95Å; H153-F181 AromaticContact CE1-CD2 3.73Å; H153-F181 AromaticContact CE1-CE2 3.79Å; H153-F181 AromaticContact CG-CD1 3.87Å; H153-F181 AromaticContact CG-CG 3.73Å; H153-F181 AromaticContact ND1-CD1 3.78Å; H153-F181 AromaticContact ND1-CD2 3.87Å; H153-F181 AromaticContact ND1-CE1 3.84Å; H153-F181 AromaticContact ND1-CE2 3.97Å; H153-F181 AromaticContact ND1-CG 3.79Å; H153-F181 AromaticContact ND1-CZ 3.94Å; H153-F181 AromaticContact NE2-CD2 3.87Å; H153-R333 VanDerWaalsContact CE1-CZ 3.43Å; H153-R333 PolarHBondContact CE1-NH2 3.31Å; H153-R333 PolarHBondContact NE2-NH2 2.65Å; H153-E337 IonicContact CE1-OE1 2.68Å; H153-E337 PolarHBondContact CE1-OE1 2.88Å; H153-E337 IonicContact CE1-OE2 2.83Å; H153-E337 PolarHBondContact CE1-OE2 2.96Å; H153-E337 IonicContact ND1-OE1 3.77Å; H153-E337 IonicContact ND1-OE2 3.91Å; H153-E337 PolarHBondContact ND1-OE2 2.97Å
154	A	96.5	Very high	94.1	Very high	25 Å²	25	76 Å²	76	21%	0.207	36%	0.357	C	S	.	.			trans	-56.4	131.3	-179	0	0	0	0	0	110.4	D135 L139 H150 K151	D135-A154 HydrophobicContact CB-CB 4.3Å; L139-A154 HydrophobicContact CD1-CB 3.62Å; H150-A154 PolarHBondContact O-N 3.17Å; K151-A154 WeakPolarHBondContact O-CB 3.13Å; K151-A154 PolarHBondContact O-N 3.14Å
155	V	96	Very high	94.3	Very high	12 Å²	12	70.6 Å²	70.6	7%	0.073	33%	0.326	C	S	.	.			trans	-112.7	114.6	-178.4	175.1	0	0	0	0	107.9	L129 N132 I133 H153 R157 F182	L129-V155 HydrophobicContact CD1-CG2 4.37Å; N132-V155 HydrophobicContact CB-CB 4.4Å; N132-V155 HydrophobicContact CB-CG2 3.96Å; N132-V155 PolarHBondContact O-N 3.35Å; I133-V155 WeakPolarHBondContact CA-O 3.32Å; I133-V155 HydrophobicContact CG1-CB 3.98Å; I133-V155 HydrophobicContact CG1-CG1 3.89Å; H153-V155 WeakPolarHBondContact O-CG2 3.48Å; H153-V155 PolarHBondContact O-N 3.1Å; V155-R157 VanDerWaalsContact C-N 3.31Å; V155-R157 WeakPolarHBondContact CG1-O 3.39Å; V155-R157 PolarHBondContact O-N 3.38Å; V155-F182 HydrophobicContact CG1-CD1 4.29Å; V155-F182 HydrophobicContact CG2-CD1 3.86Å
156	E	89.8	Confident	94.5	Very high	156 Å²	156	69.7 Å²	69.7	73%	0.729	32%	0.321	S	S	*	.	S	Bend	trans	-66.7	-32.9	-175.4	-62.6	-174.8	171	0	0	113.4
157	R	89.9	Confident	94.8	Very high	202 Å²	202	66.2 Å²	66.2	76%	0.762	30%	0.302	S	S	*	.	S	Bend	trans	-141.3	145.4	-172.4	-60.3	-176.5	-175.4	-172.9	0.5	110.8	V155	V155-R157 VanDerWaalsContact C-N 3.31Å; V155-R157 WeakPolarHBondContact CG1-O 3.39Å; V155-R157 PolarHBondContact O-N 3.38Å
158	R	93.4	Very high	95	Very high	136 Å²	136	62.8 Å²	62.8	51%	0.513	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-52.9	139.9	173.1	66.5	-174.2	177.5	-148.9	1	111.3	I133	I133-R158 HydrophobicContact CD1-CB 4.41Å
159	P	95.4	Very high	95.3	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.013	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-67.2	150.2	177.3	27.6	-34.2	0	0	0	111.3	L129 Q163 L164 F182	L129-P159 HydrophobicContact CD1-CG 4.43Å; L129-P159 HydrophobicContact CD2-CG 3.82Å; P159-Q163 HydrophobicContact CB-CB 4.08Å; P159-L164 HydrophobicContact CB-CB 4.41Å; P159-L164 HydrophobicContact CG-CB 4.18Å; P159-L164 HydrophobicContact CG-CD1 4.2Å; P159-F182 HydrophobicContact CB-CE1 4.08Å; P159-F182 HydrophobicContact CB-CE2 3.95Å; P159-F182 HydrophobicContact CB-CZ 3.5Å; P159-F182 VanDerWaalsContact CB-CZ 3.5Å; P159-F182 HydrophobicContact CG-CE2 4.49Å; P159-F182 HydrophobicContact CG-CZ 4.33Å
160	R	95.5	Very high	95.6	Very high	189 Å²	189	54.4 Å²	54.4	71%	0.713	25%	0.245	S	C	*	.	P	Polyproline II helix	trans	-68.5	156.2	165.8	-61.1	-179	-179.8	-176.3	0.2	109.6	L162 Q163 L164	R160-L162 VanDerWaalsContact C-N 3.28Å; R160-L162 PolarHBondContact O-N 3.4Å; R160-Q163 HydrophobicContact CB-CG 4.28Å; R160-Q163 WeakPolarHBondContact O-CB 3.34Å; R160-Q163 PolarHBondContact O-N 3.32Å; R160-L164 PolarHBondContact O-N 3.38Å
161	L	96.1	Very high	95.6	Very high	116 Å²	116	54.4 Å²	54.4	61%	0.607	25%	0.245	S	C	*	.	H	α-helix	trans	-52.6	-41.7	-177.8	-70.7	176.1	0	0	0	113.8	Y76 L164 G165	Y76-L161 HydrophobicContact CD1-CD2 3.77Å; Y76-L161 HydrophobicContact CD2-CD2 4.48Å; Y76-L161 HydrophobicContact CE1-CD2 3.36Å; Y76-L161 HydrophobicContact CE1-CG 4.23Å; Y76-L161 HydrophobicContact CE2-CD2 4.1Å; Y76-L161 HydrophobicContact CG-CD2 4.3Å; L161-L164 PolarHBondContact O-N 3.3Å; L161-G165 PolarHBondContact O-N 3.4Å
162	L	97.2	Very high	95.6	Very high	68 Å²	68	49.5 Å²	49.5	36%	0.356	22%	0.224	S	C	.	.	H	α-helix	trans	-65.3	-39.3	177.4	-179.5	60.9	0	0	0	112.4	K43 H46 L47 R160 G165 G166	K43-L162 HydrophobicContact CB-CD2 4.47Å; H46-L162 HydrophobicContact CB-CD1 4.19Å; H46-L162 HydrophobicContact CB-CD2 4.28Å; H46-L162 HydrophobicContact CB-CG 3.77Å; L47-L162 HydrophobicContact CB-CD1 4.35Å; L47-L162 HydrophobicContact CD1-CD1 4.43Å; R160-L162 VanDerWaalsContact C-N 3.28Å; R160-L162 PolarHBondContact O-N 3.4Å; L162-G165 PolarHBondContact O-N 2.86Å; L162-G166 PolarHBondContact O-N 3.48Å
163	Q	97.5	Very high	95.6	Very high	41 Å²	41	46.9 Å²	46.9	19%	0.192	21%	0.21	C	C	.	.	H	α-helix	trans	-67.5	-42.5	177.5	-57.3	177.3	-61.4	0	0	110.5	P159 R160 Y167 F182 M186	P159-Q163 HydrophobicContact CB-CB 4.08Å; R160-Q163 HydrophobicContact CB-CG 4.28Å; R160-Q163 WeakPolarHBondContact O-CB 3.34Å; R160-Q163 PolarHBondContact O-N 3.32Å; Q163-Y167 VanDerWaalsContact O-CB 3.23Å; Q163-Y167 WeakPolarHBondContact O-CB 3.4Å; Q163-Y167 PolarHBondContact O-N 3.05Å; Q163-F182 HydrophobicContact CB-CE2 4.37Å; Q163-F182 HydrophobicContact CB-CZ 4.12Å; Q163-M186 HydrophobicContact CB-SD 4.46Å; Q163-M186 VanDerWaalsContact NE2-CE 3.34Å
164	L	97.6	Very high	95.6	Very high	10 Å²	10	46.9 Å²	46.9	5%	0.052	21%	0.21	C	C	.	.	H	α-helix	trans	-62.8	-48.2	175.2	-177.6	68.1	0	0	0	111.1	Y76 L129 P159 R160 L161 Y167 L168	Y76-L164 HydrophobicContact CD2-CD2 3.45Å; Y76-L164 VanDerWaalsContact CD2-CD2 3.45Å; Y76-L164 HydrophobicContact CE2-CD2 4.21Å; Y76-L164 HydrophobicContact CG-CD2 3.88Å; L129-L164 HydrophobicContact CD2-CD1 3.68Å; P159-L164 HydrophobicContact CB-CB 4.41Å; P159-L164 HydrophobicContact CG-CB 4.18Å; P159-L164 HydrophobicContact CG-CD1 4.2Å; R160-L164 PolarHBondContact O-N 3.38Å; L161-L164 PolarHBondContact O-N 3.3Å; L164-Y167 PolarHBondContact O-N 2.97Å; L164-L168 HydrophobicContact CD1-CD1 3.86Å; L164-L168 HydrophobicContact CD1-CD2 4.33Å; L164-L168 HydrophobicContact CD1-CG 3.93Å; L164-L168 HydrophobicContact CD2-CD1 4.38Å; L164-L168 HydrophobicContact CG-CD1 3.82Å; L164-L168 HydrophobicContact CG-CG 4.18Å; L164-L168 WeakPolarHBondContact O-CB 3.46Å; L164-L168 VanDerWaalsContact O-CG 3.29Å; L164-L168 WeakPolarHBondContact O-CG 3.45Å; L164-L168 PolarHBondContact O-N 3.5Å
165	G	97.7	Very high	95.3	Very high	12 Å²	12	45.7 Å²	45.7	12%	0.124	20%	0.201	C	C	.	.	H	α-helix	trans	-57.1	-52	177.8	0	0	0	0	0	111.7	L161 L162 Y167 L168 F169	L161-G165 PolarHBondContact O-N 3.4Å; L162-G165 PolarHBondContact O-N 2.86Å; G165-Y167 VanDerWaalsContact C-N 3.3Å; G165-Y167 PolarHBondContact O-N 3.2Å; G165-L168 PolarHBondContact O-N 3.13Å; G165-F169 WeakPolarHBondContact O-CB 3.41Å; G165-F169 PolarHBondContact O-N 2.95Å
166	G	97.8	Very high	94.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.1	-36	177.1	0	0	0	0	0	113.3	L162 S170 Y185	L162-G166 PolarHBondContact O-N 3.48Å; G166-S170 WeakPolarHBondContact O-CA 3.42Å; G166-S170 PolarHBondContact O-N 3.39Å; G166-S170 PolarHBondContact O-OG 3.5Å; G166-Y185 VanDerWaalsContact C-CZ 3.48Å; G166-Y185 WeakPolarHBondContact CA-OH 3.38Å; G166-Y185 PolarHBondContact O-OH 3.31Å
167	Y	98	Very high	94.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-70	-46.4	176.4	169.5	-120.3	0	0	0	112.7	K125 L129 Q163 L164 G165 S170 S180 F182 Y185	K125-Y167 WeakPolarHBondContact CA-OH 3.45Å; K125-Y167 HydrophobicContact CB-CE1 3.63Å; K125-Y167 HydrophobicContact CD-CE1 4.26Å; K125-Y167 HydrophobicContact CD-CE2 4.2Å; K125-Y167 WeakPolarHBondContact CD-O 3.42Å; K125-Y167 WeakPolarHBondContact CE-O 3.41Å; K125-Y167 HydrophobicContact CG-CE1 4.07Å; K125-Y167 HydrophobicContact CG-CE2 4.18Å; K125-Y167 PolarHBondContact NZ-O 3.04Å; K125-Y167 PolarHBondContact O-OH 2.74Å; L129-Y167 HydrophobicContact CB-CE1 4.46Å; L129-Y167 HydrophobicContact CD2-CE1 4.45Å; Q163-Y167 VanDerWaalsContact O-CB 3.23Å; Q163-Y167 WeakPolarHBondContact O-CB 3.4Å; Q163-Y167 PolarHBondContact O-N 3.05Å; L164-Y167 PolarHBondContact O-N 2.97Å; G165-Y167 VanDerWaalsContact C-N 3.3Å; G165-Y167 PolarHBondContact O-N 3.2Å; Y167-S170 WeakPolarHBondContact CA-OG 3.44Å; Y167-S170 PolarHBondContact O-OG 3.17Å; Y167-S180 VanDerWaalsContact CE2-O 3.3Å; Y167-S180 WeakPolarHBondContact CE2-O 3.05Å; Y167-S180 PolarHBondContact OH-O 3.46Å; Y167-F182 AromaticContact CD1-CD2 3.72Å; Y167-F182 HydrophobicContact CD1-CD2 3.72Å; Y167-F182 HydrophobicContact CD1-CE2 4.45Å; Y167-F182 AromaticContact CD2-CD2 3.98Å; Y167-F182 HydrophobicContact CD2-CD2 3.98Å; Y167-F182 HydrophobicContact CE1-CB 4.27Å; Y167-F182 HydrophobicContact CE1-CD2 4.14Å; Y167-F182 HydrophobicContact CE2-CB 4.26Å; Y167-F182 HydrophobicContact CE2-CD2 4.39Å; Y167-F182 AromaticContact CG-CD2 3.6Å; Y167-F182 HydrophobicContact CG-CD2 3.6Å; Y167-F182 HydrophobicContact CG-CE2 4.2Å; Y167-Y185 AromaticContact CD2-CD1 3.92Å; Y167-Y185 HydrophobicContact CD2-CD1 3.92Å; Y167-Y185 HydrophobicContact CD2-CD2 4.31Å; Y167-Y185 AromaticContact CD2-CG 3.74Å; Y167-Y185 HydrophobicContact CD2-CG 3.74Å; Y167-Y185 HydrophobicContact CG-CD1 4.21Å; Y167-Y185 HydrophobicContact CG-CG 4.45Å; Y167-Y185 PolarHBondContact N-OH 3.1Å
168	L	97.7	Very high	94.9	Very high	5 Å²	5	29.8 Å²	29.8	3%	0.026	14%	0.135	C	C	.	.	H	α-helix	trans	-68.5	-43	-178.1	-64.6	-178.8	0	0	0	110.7	A72 Q122 K125 L126 L164 G165	A72-L168 HydrophobicContact CB-CD1 3.52Å; Q122-L168 HydrophobicContact CG-CD2 4.14Å; K125-L168 HydrophobicContact CB-CD2 3.83Å; K125-L168 HydrophobicContact CD-CD2 4.26Å; K125-L168 PolarHBondContact NZ-O 3.29Å; K125-L168 VanDerWaalsContact NZ-O 3.1Å; L126-L168 HydrophobicContact CD2-CD1 3.93Å; L126-L168 HydrophobicContact CD2-CD2 3.85Å; L126-L168 HydrophobicContact CG-CD2 4Å; L164-L168 HydrophobicContact CD1-CD1 3.86Å; L164-L168 HydrophobicContact CD1-CD2 4.33Å; L164-L168 HydrophobicContact CD1-CG 3.93Å; L164-L168 HydrophobicContact CD2-CD1 4.38Å; L164-L168 HydrophobicContact CG-CD1 3.82Å; L164-L168 HydrophobicContact CG-CG 4.18Å; L164-L168 WeakPolarHBondContact O-CB 3.46Å; L164-L168 VanDerWaalsContact O-CG 3.29Å; L164-L168 WeakPolarHBondContact O-CG 3.45Å; L164-L168 PolarHBondContact O-N 3.5Å; G165-L168 PolarHBondContact O-N 3.13Å
169	F	97.3	Very high	94.9	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.018	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	22.3	-178.9	-69.6	-91.9	0	0	0	113.7	F50 G53 F54 V65 M68 F69 G165 F171 V174	F50-F169 HydrophobicContact CD2-CB 3.99Å; F50-F169 AromaticContact CD2-CD2 3.76Å; F50-F169 HydrophobicContact CD2-CD2 3.76Å; F50-F169 HydrophobicContact CD2-CG 4.01Å; F50-F169 AromaticContact CE2-CD2 3.67Å; F50-F169 HydrophobicContact CE2-CD2 3.67Å; F50-F169 AromaticContact CE2-CE2 4Å; F50-F169 HydrophobicContact CE2-CE2 4Å; F50-F169 HydrophobicContact CE2-CG 4.14Å; G53-F169 VanDerWaalsContact CA-O 3.28Å; G53-F169 WeakPolarHBondContact CA-O 3.3Å; F54-F169 HydrophobicContact CB-CD1 4.21Å; F54-F169 HydrophobicContact CD2-CE1 4.25Å; V65-F169 HydrophobicContact CG2-CE1 4.06Å; M68-F169 HydrophobicContact CB-CE1 4.3Å; M68-F169 HydrophobicContact CB-CZ 3.93Å; M68-F169 HydrophobicContact CE-CD1 4.39Å; M68-F169 HydrophobicContact CE-CE1 4.06Å; M68-F169 HydrophobicContact CE-CZ 4.41Å; M68-F169 HydrophobicContact SD-CE1 3.97Å; M68-F169 HydrophobicContact SD-CZ 4.49Å; F69-F169 HydrophobicContact CD1-CZ 4.48Å; F69-F169 HydrophobicContact CD2-CZ 4.08Å; F69-F169 HydrophobicContact CE1-CE2 4.05Å; F69-F169 HydrophobicContact CE1-CZ 4.02Å; F69-F169 HydrophobicContact CE2-CE1 4.14Å; F69-F169 HydrophobicContact CE2-CE2 4.4Å; F69-F169 AromaticContact CE2-CZ 3.56Å; F69-F169 HydrophobicContact CE2-CZ 3.56Å; F69-F169 HydrophobicContact CZ-CE1 4.24Å; F69-F169 AromaticContact CZ-CE2 3.96Å; F69-F169 HydrophobicContact CZ-CE2 3.96Å; F69-F169 AromaticContact CZ-CZ 3.54Å; F69-F169 HydrophobicContact CZ-CZ 3.54Å; G165-F169 WeakPolarHBondContact O-CB 3.41Å; G165-F169 PolarHBondContact O-N 2.95Å; F169-F171 PolarHBondContact O-N 2.86Å; F169-V174 HydrophobicContact CD1-CG2 4.33Å
170	S	97	Very high	94.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.114	C	C	.	.			trans	-57.9	120	179.5	-41.1	0	0	0	0	111.2	E49 G166 Y167 H172 N173 V174 Y185	E49-S170 WeakPolarHBondContact OE2-CA 3.48Å; E49-S170 VanDerWaalsContact OE2-CB 3.3Å; E49-S170 WeakPolarHBondContact OE2-CB 3.1Å; G166-S170 WeakPolarHBondContact O-CA 3.42Å; G166-S170 PolarHBondContact O-N 3.39Å; G166-S170 PolarHBondContact O-OG 3.5Å; Y167-S170 WeakPolarHBondContact CA-OG 3.44Å; Y167-S170 PolarHBondContact O-OG 3.17Å; S170-H172 PolarHBondContact O-N 3.34Å; S170-H172 VanDerWaalsContact O-N 3.14Å; S170-N173 PolarHBondContact O-N 2.92Å; S170-V174 WeakPolarHBondContact O-CB 3.4Å; S170-V174 PolarHBondContact O-N 2.86Å; S170-Y185 WeakPolarHBondContact OG-CE2 3.23Å
171	F	95.6	Very high	95	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-33.9	-161.6	64.3	-93.4	0	0	0	113	T24 A27 M31 F48 E49 S52 M56 F169 N173 A288	T24-F171 HydrophobicContact CG2-CD2 4.17Å; T24-F171 VanDerWaalsContact CG2-O 3.3Å; T24-F171 WeakPolarHBondContact CG2-O 3.46Å; T24-F171 VanDerWaalsContact O-CE2 3.25Å; T24-F171 WeakPolarHBondContact O-CE2 3.41Å; A27-F171 HydrophobicContact CB-CD1 4.49Å; A27-F171 HydrophobicContact CB-CD2 3.8Å; A27-F171 HydrophobicContact CB-CE1 4.48Å; A27-F171 HydrophobicContact CB-CE2 3.79Å; A27-F171 HydrophobicContact CB-CG 4.2Å; A27-F171 HydrophobicContact CB-CZ 4.16Å; M31-F171 HydrophobicContact SD-CE1 3.84Å; M31-F171 HydrophobicContact SD-CZ 4.3Å; F48-F171 HydrophobicContact CD1-CD1 4.45Å; F48-F171 HydrophobicContact CD1-CE1 4.16Å; F48-F171 HydrophobicContact CE1-CD1 4.21Å; F48-F171 AromaticContact CE1-CE1 3.85Å; F48-F171 HydrophobicContact CE1-CE1 3.85Å; E49-F171 WeakPolarHBondContact OE2-CD1 3.46Å; E49-F171 WeakPolarHBondContact OE2-CE1 3.47Å; E49-F171 PolarHBondContact OE2-N 3.04Å; S52-F171 WeakPolarHBondContact OG-CB 3.5Å; S52-F171 VanDerWaalsContact OG-CD1 3.23Å; S52-F171 WeakPolarHBondContact OG-CD1 3.22Å; M56-F171 HydrophobicContact CE-CB 4.4Å; M56-F171 HydrophobicContact SD-CB 3.86Å; F169-F171 PolarHBondContact O-N 2.86Å; F171-N173 VanDerWaalsContact C-N 3.29Å; F171-N173 PolarHBondContact O-N 2.99Å; F171-A288 HydrophobicContact CZ-CB 4.04Å
172	H	94.1	Very high	95	Very high	3 Å²	3	10 Å²	10	1%	0.014	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-12.8	-178.4	53.6	78	0	0	0	113.2	E49 S170 F188 S281 N285	E49-H172 IonicContact OE1-CD2 3.33Å; E49-H172 IonicContact OE1-NE2 2.84Å; E49-H172 PolarHBondContact OE1-NE2 2.69Å; E49-H172 IonicContact OE2-CD2 2.69Å; E49-H172 IonicContact OE2-NE2 3.51Å; S170-H172 PolarHBondContact O-N 3.34Å; S170-H172 VanDerWaalsContact O-N 3.14Å; H172-F188 AromaticContact NE2-CE1 3.97Å; H172-S281 PolarHBondContact O-OG 3.05Å; H172-S281 VanDerWaalsContact O-OG 3.08Å; H172-N285 PolarHBondContact CE1-OD1 3.32Å; H172-N285 VanDerWaalsContact CE1-OD1 3.29Å; H172-N285 PolarHBondContact ND1-OD1 2.85Å; H172-N285 PolarHBondContact O-ND2 2.77Å
173	N	93.2	Very high	95	Very high	1 Å²	1	7.3 Å²	7.3	1%	0.005	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125	-14	-175.4	-67.9	-8	0	0	0	114	S170 F171 M175 G177 P178 N285	S170-N173 PolarHBondContact O-N 2.92Å; F171-N173 VanDerWaalsContact C-N 3.29Å; F171-N173 PolarHBondContact O-N 2.99Å; N173-M175 PolarHBondContact O-N 3.29Å; N173-G177 VanDerWaalsContact O-CA 3.3Å; N173-G177 WeakPolarHBondContact O-CA 3.32Å; N173-G177 PolarHBondContact O-N 2.74Å; N173-P178 VanDerWaalsContact CB-O 3.32Å; N173-P178 WeakPolarHBondContact CB-O 3.3Å; N173-P178 PolarHBondContact ND2-O 3.08Å; N173-P178 PolarHBondContact OD1-O 3.32Å; N173-N285 PolarHBondContact ND2-OD1 2.82Å; N173-N285 VanDerWaalsContact OD1-CG 3.24Å; N173-N285 PolarHBondContact OD1-ND2 2.69Å; N173-N285 PolarHBondContact OD1-OD1 3.2Å
174	V	94.2	Very high	94.9	Very high	2 Å²	2	5.6 Å²	5.6	1%	0.012	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-36.9	-167.1	67.9	0	0	0	0	113.9	S57 M68 F169 S170	S57-V174 WeakPolarHBondContact OG-CG2 3.35Å; M68-V174 HydrophobicContact CE-CG2 3.58Å; M68-V174 HydrophobicContact SD-CG2 4.4Å; F169-V174 HydrophobicContact CD1-CG2 4.33Å; S170-V174 WeakPolarHBondContact O-CB 3.4Å; S170-V174 PolarHBondContact O-N 2.86Å
175	M	89.3	Confident	94.9	Very high	1 Å²	1	5.1 Å²	5.1	1%	0.005	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-38	-173.2	-61.6	-177.3	-82.3	0	0	114.3	F17 C20 Q21 T24 V60 Y61 N173	F17-M175 HydrophobicContact CD2-SD 4.26Å; F17-M175 HydrophobicContact CE2-CB 3.93Å; F17-M175 HydrophobicContact CE2-SD 4.43Å; C20-M175 HydrophobicContact CB-CE 3.88Å; C20-M175 HydrophobicContact CB-SD 4.11Å; Q21-M175 HydrophobicContact CG-CE 4.01Å; T24-M175 HydrophobicContact CG2-CE 4.21Å; V60-M175 HydrophobicContact CB-SD 4.36Å; V60-M175 HydrophobicContact CG2-SD 3.65Å; Y61-M175 HydrophobicContact CE2-CG 4.18Å; N173-M175 PolarHBondContact O-N 3.29Å
176	I	88.2	Confident	94.9	Very high	33 Å²	33	5.5 Å²	5.5	17%	0.169	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.1	5.2	-172	-152.4	179	0	0	0	114.3	F17 A277 W278	F17-I176 HydrophobicContact CE2-CB 4.42Å; F17-I176 HydrophobicContact CZ-CB 4.12Å; F17-I176 HydrophobicContact CZ-CD1 3.95Å; F17-I176 HydrophobicContact CZ-CG1 4.48Å; F17-I176 HydrophobicContact CZ-CG2 4.39Å; I176-A277 HydrophobicContact CD1-CB 3.23Å; I176-W278 PolarHBondContact O-NE1 2.87Å
177	G	87.4	Confident	94.8	Very high	1 Å²	1	6.7 Å²	6.7	1%	0.01	3%	0.034	C	C	.	.			trans	74.2	-166.1	-170.5	0	0	0	0	0	112	N173 S281	N173-G177 VanDerWaalsContact O-CA 3.3Å; N173-G177 WeakPolarHBondContact O-CA 3.32Å; N173-G177 PolarHBondContact O-N 2.74Å; G177-S281 VanDerWaalsContact O-CB 3.27Å; G177-S281 WeakPolarHBondContact O-CB 3.48Å; G177-S281 PolarHBondContact O-OG 3.35Å
178	P	93.4	Very high	94.7	Very high	2 Å²	2	7 Å²	7	1%	0.013	4%	0.035	C	C	.	.			cis	-62.9	147.2	5.3	27.6	-34.7	0	0	0	112.1	N173 S281 N308 A330	N173-P178 VanDerWaalsContact CB-O 3.32Å; N173-P178 WeakPolarHBondContact CB-O 3.3Å; N173-P178 PolarHBondContact ND2-O 3.08Å; N173-P178 PolarHBondContact OD1-O 3.32Å; P178-S281 WeakPolarHBondContact CD-OG 3.49Å; P178-N308 HydrophobicContact CB-CB 4.13Å; P178-A330 HydrophobicContact CB-CB 3.85Å
179	F	93.5	Very high	94.7	Very high	9 Å²	9	6.7 Å²	6.7	4%	0.039	3%	0.034	C	C	.	.			trans	-64.9	141.8	162.6	148	-98.9	0	0	0	109.2	V121 Q124 K125 S128 F181 A330 W334	V121-F179 HydrophobicContact CG1-CB 4.48Å; Q124-F179 HydrophobicContact CB-CB 4.05Å; Q124-F179 HydrophobicContact CB-CD1 4.3Å; Q124-F179 HydrophobicContact CB-CD2 3.84Å; Q124-F179 HydrophobicContact CB-CE2 4.45Å; Q124-F179 HydrophobicContact CB-CG 3.77Å; K125-F179 HydrophobicContact CB-CD2 4.36Å; K125-F179 HydrophobicContact CG-CD2 3.67Å; K125-F179 HydrophobicContact CG-CE2 4.24Å; S128-F179 WeakPolarHBondContact OG-CZ 3.39Å; F179-F181 HydrophobicContact CE1-CD1 4.46Å; F179-F181 HydrophobicContact CE1-CD2 4.25Å; F179-F181 HydrophobicContact CE1-CE1 4.16Å; F179-F181 AromaticContact CE1-CE2 3.85Å; F179-F181 HydrophobicContact CE1-CE2 3.85Å; F179-F181 AromaticContact CE1-CZ 3.84Å; F179-F181 HydrophobicContact CE1-CZ 3.84Å; F179-F181 AromaticContact CZ-CD1 3.8Å; F179-F181 HydrophobicContact CZ-CD1 3.8Å; F179-F181 HydrophobicContact CZ-CD2 4.19Å; F179-F181 AromaticContact CZ-CE1 3.81Å; F179-F181 HydrophobicContact CZ-CE1 3.81Å; F179-F181 HydrophobicContact CZ-CE2 4.12Å; F179-F181 HydrophobicContact CZ-CG 4.01Å; F179-F181 AromaticContact CZ-CZ 3.96Å; F179-F181 HydrophobicContact CZ-CZ 3.96Å; F179-A330 HydrophobicContact CB-CB 4.37Å; F179-A330 HydrophobicContact CD1-CB 4.43Å; F179-A330 WeakPolarHBondContact O-CB 3.44Å; F179-W334 HydrophobicContact CD1-CB 4.19Å; F179-W334 HydrophobicContact CE1-CB 4.06Å
180	S	94.6	Very high	94.7	Very high	5 Å²	5	9 Å²	9	4%	0.035	5%	0.045	C	C	.	.			trans	-127.1	150.2	173.4	55	0	0	0	0	110	Y167	Y167-S180 VanDerWaalsContact CE2-O 3.3Å; Y167-S180 WeakPolarHBondContact CE2-O 3.05Å; Y167-S180 PolarHBondContact OH-O 3.46Å
181	F	96.8	Very high	94.6	Very high	2 Å²	2	9.4 Å²	9.4	1%	0.009	5%	0.049	C	C	.	.			trans	-70.2	151.6	174.6	-70.1	-85.2	0	0	0	110.9	N132 H153 F179 A183 D184 Y185 R333 E337	N132-F181 WeakPolarHBondContact OD1-CD1 3.44Å; H153-F181 HydrophobicContact CB-CB 4.4Å; H153-F181 HydrophobicContact CB-CD1 4.11Å; H153-F181 HydrophobicContact CB-CG 4.29Å; H153-F181 AromaticContact CD2-CG 3.95Å; H153-F181 AromaticContact CE1-CD2 3.73Å; H153-F181 AromaticContact CE1-CE2 3.79Å; H153-F181 AromaticContact CG-CD1 3.87Å; H153-F181 AromaticContact CG-CG 3.73Å; H153-F181 AromaticContact ND1-CD1 3.78Å; H153-F181 AromaticContact ND1-CD2 3.87Å; H153-F181 AromaticContact ND1-CE1 3.84Å; H153-F181 AromaticContact ND1-CE2 3.97Å; H153-F181 AromaticContact ND1-CG 3.79Å; H153-F181 AromaticContact ND1-CZ 3.94Å; H153-F181 AromaticContact NE2-CD2 3.87Å; F179-F181 HydrophobicContact CE1-CD1 4.46Å; F179-F181 HydrophobicContact CE1-CD2 4.25Å; F179-F181 HydrophobicContact CE1-CE1 4.16Å; F179-F181 AromaticContact CE1-CE2 3.85Å; F179-F181 HydrophobicContact CE1-CE2 3.85Å; F179-F181 AromaticContact CE1-CZ 3.84Å; F179-F181 HydrophobicContact CE1-CZ 3.84Å; F179-F181 AromaticContact CZ-CD1 3.8Å; F179-F181 HydrophobicContact CZ-CD1 3.8Å; F179-F181 HydrophobicContact CZ-CD2 4.19Å; F179-F181 AromaticContact CZ-CE1 3.81Å; F179-F181 HydrophobicContact CZ-CE1 3.81Å; F179-F181 HydrophobicContact CZ-CE2 4.12Å; F179-F181 HydrophobicContact CZ-CG 4.01Å; F179-F181 AromaticContact CZ-CZ 3.96Å; F179-F181 HydrophobicContact CZ-CZ 3.96Å; F181-A183 VanDerWaalsContact C-N 3.27Å; F181-A183 PolarHBondContact O-N 3.4Å; F181-D184 WeakPolarHBondContact O-CB 3.38Å; F181-D184 PolarHBondContact O-N 2.98Å; F181-D184 VanDerWaalsContact O-N 3.14Å; F181-Y185 PolarHBondContact O-N 3.36Å; F181-R333 HydrophobicContact CE2-CG 3.78Å; F181-R333 VanDerWaalsContact CE2-CZ 3.46Å; F181-R333 VanDerWaalsContact CE2-NE 3.25Å; F181-R333 HydrophobicContact CZ-CG 4.02Å; F181-E337 WeakPolarHBondContact CE1-OE2 3.48Å; F181-E337 HydrophobicContact CZ-CB 4.39Å; F181-E337 HydrophobicContact CZ-CG 4.06Å; F181-E337 WeakPolarHBondContact CZ-OE1 3.27Å; F181-E337 VanDerWaalsContact CZ-OE2 3.31Å; F181-E337 WeakPolarHBondContact CZ-OE2 3.37Å
182	F	97.5	Very high	94.5	Very high	10 Å²	10	12.1 Å²	12.1	4%	0.044	6%	0.061	C	C	.	.	H	α-helix	trans	-60.7	-36.6	179.8	-176.7	-102	0	0	0	112.5	L129 V155 P159 Q163 Y167 Y185 M186	L129-F182 HydrophobicContact CD1-CB 3.78Å; L129-F182 HydrophobicContact CD1-CD1 3.93Å; L129-F182 HydrophobicContact CD1-CD2 4.39Å; L129-F182 HydrophobicContact CD1-CG 3.76Å; V155-F182 HydrophobicContact CG1-CD1 4.29Å; V155-F182 HydrophobicContact CG2-CD1 3.86Å; P159-F182 HydrophobicContact CB-CE1 4.08Å; P159-F182 HydrophobicContact CB-CE2 3.95Å; P159-F182 HydrophobicContact CB-CZ 3.5Å; P159-F182 VanDerWaalsContact CB-CZ 3.5Å; P159-F182 HydrophobicContact CG-CE2 4.49Å; P159-F182 HydrophobicContact CG-CZ 4.33Å; Q163-F182 HydrophobicContact CB-CE2 4.37Å; Q163-F182 HydrophobicContact CB-CZ 4.12Å; Y167-F182 AromaticContact CD1-CD2 3.72Å; Y167-F182 HydrophobicContact CD1-CD2 3.72Å; Y167-F182 HydrophobicContact CD1-CE2 4.45Å; Y167-F182 AromaticContact CD2-CD2 3.98Å; Y167-F182 HydrophobicContact CD2-CD2 3.98Å; Y167-F182 HydrophobicContact CE1-CB 4.27Å; Y167-F182 HydrophobicContact CE1-CD2 4.14Å; Y167-F182 HydrophobicContact CE2-CB 4.26Å; Y167-F182 HydrophobicContact CE2-CD2 4.39Å; Y167-F182 AromaticContact CG-CD2 3.6Å; Y167-F182 HydrophobicContact CG-CD2 3.6Å; Y167-F182 HydrophobicContact CG-CE2 4.2Å; F182-Y185 HydrophobicContact CD2-CD1 4.23Å; F182-Y185 HydrophobicContact CE2-CD1 4.1Å; F182-Y185 HydrophobicContact CE2-CE1 4.49Å; F182-Y185 WeakPolarHBondContact O-CB 3.05Å; F182-Y185 PolarHBondContact O-N 2.9Å; F182-M186 HydrophobicContact CD1-CG 3.92Å; F182-M186 HydrophobicContact CE1-CG 3.4Å; F182-M186 HydrophobicContact CE1-SD 3.96Å; F182-M186 HydrophobicContact CE2-CG 4.16Å; F182-M186 HydrophobicContact CE2-SD 4.07Å; F182-M186 HydrophobicContact CG-CG 4.5Å; F182-M186 HydrophobicContact CZ-CG 3.51Å; F182-M186 HydrophobicContact CZ-SD 3.45Å; F182-M186 WeakPolarHBondContact CZ-SD 3.36Å; F182-M186 WeakPolarHBondContact O-CG 3.16Å; F182-M186 PolarHBondContact O-N 2.9Å
183	A	96.6	Very high	94.6	Very high	12 Å²	12	12.6 Å²	12.6	10%	0.099	6%	0.064	C	C	.	.	H	α-helix	trans	-62.5	-42	175.7	0	0	0	0	0	112.4	F181 M186 R187	F181-A183 VanDerWaalsContact C-N 3.27Å; F181-A183 PolarHBondContact O-N 3.4Å; A183-M186 PolarHBondContact O-N 2.93Å; A183-R187 WeakPolarHBondContact O-CG 3.28Å; A183-R187 PolarHBondContact O-N 3.01Å
184	D	96.2	Very high	94.6	Very high	5 Å²	5	13.4 Å²	13.4	3%	0.027	7%	0.069	C	C	.	.	H	α-helix	trans	-63.9	-42.5	175.5	-65.2	-34.7	0	0	0	111.2	F181 R187 F188 F290 L305 R333	F181-D184 WeakPolarHBondContact O-CB 3.38Å; F181-D184 PolarHBondContact O-N 2.98Å; F181-D184 VanDerWaalsContact O-N 3.14Å; D184-R187 PolarHBondContact O-N 3.34Å; D184-R187 IonicContact OD1-CZ 3.51Å; D184-R187 IonicContact OD1-NE 2.89Å; D184-R187 IonicContact OD1-NH2 3.2Å; D184-R187 PolarHBondContact OD1-NH2 2.91Å; D184-F188 WeakPolarHBondContact O-CB 3.28Å; D184-F188 PolarHBondContact O-N 3.04Å; D184-F188 VanDerWaalsContact O-N 3.07Å; D184-F290 HydrophobicContact CB-CE2 4.22Å; D184-F290 HydrophobicContact CB-CZ 4.2Å; D184-L305 HydrophobicContact CB-CD1 4.09Å; D184-R333 IonicContact OD2-NH1 3.21Å
185	Y	97.2	Very high	94.5	Very high	1 Å²	1	18.5 Å²	18.5	0%	0.004	9%	0.093	C	C	.	.	H	α-helix	trans	-60.5	-44.6	174.5	171.9	-102.6	0	0	0	112	H46 E49 G166 Y167 S170 F181 F182 F188 I189	H46-Y185 AromaticContact CE1-CE1 3.42Å; H46-Y185 VanDerWaalsContact CE1-CE1 3.42Å; H46-Y185 WeakPolarHBondContact CE1-CE1 3.38Å; H46-Y185 AromaticContact CE1-CZ 3.89Å; H46-Y185 AromaticContact ND1-CE1 3.44Å; H46-Y185 WeakPolarHBondContact ND1-CE1 3.49Å; H46-Y185 AromaticContact ND1-CZ 3.49Å; H46-Y185 PolarHBondContact ND1-OH 3.18Å; E49-Y185 HydrophobicContact CG-CE2 4.2Å; G166-Y185 VanDerWaalsContact C-CZ 3.48Å; G166-Y185 WeakPolarHBondContact CA-OH 3.38Å; G166-Y185 PolarHBondContact O-OH 3.31Å; Y167-Y185 AromaticContact CD2-CD1 3.92Å; Y167-Y185 HydrophobicContact CD2-CD1 3.92Å; Y167-Y185 HydrophobicContact CD2-CD2 4.31Å; Y167-Y185 AromaticContact CD2-CG 3.74Å; Y167-Y185 HydrophobicContact CD2-CG 3.74Å; Y167-Y185 HydrophobicContact CG-CD1 4.21Å; Y167-Y185 HydrophobicContact CG-CG 4.45Å; Y167-Y185 PolarHBondContact N-OH 3.1Å; S170-Y185 WeakPolarHBondContact OG-CE2 3.23Å; F181-Y185 PolarHBondContact O-N 3.36Å; F182-Y185 HydrophobicContact CD2-CD1 4.23Å; F182-Y185 HydrophobicContact CE2-CD1 4.1Å; F182-Y185 HydrophobicContact CE2-CE1 4.49Å; F182-Y185 WeakPolarHBondContact O-CB 3.05Å; F182-Y185 PolarHBondContact O-N 2.9Å; Y185-F188 WeakPolarHBondContact O-CB 3.31Å; Y185-F188 PolarHBondContact O-N 3.34Å; Y185-I189 HydrophobicContact CD1-CG1 4.32Å; Y185-I189 HydrophobicContact CD2-CG1 4.19Å; Y185-I189 HydrophobicContact CE1-CG1 3.89Å; Y185-I189 HydrophobicContact CE2-CD1 3.82Å; Y185-I189 HydrophobicContact CE2-CG1 3.73Å; Y185-I189 HydrophobicContact CG-CG1 4.46Å; Y185-I189 VanDerWaalsContact O-CG1 3.29Å; Y185-I189 WeakPolarHBondContact O-CG1 3.32Å; Y185-I189 PolarHBondContact O-N 3.43Å
186	M	97	Very high	94.6	Very high	19 Å²	19	19.6 Å²	19.6	9%	0.094	10%	0.098	C	C	.	.	H	α-helix	trans	-63.4	-46	178.5	-74.4	-55.7	-49.9	0	0	112	Q163 F182 A183 F188 I189 Q190	Q163-M186 HydrophobicContact CB-SD 4.46Å; Q163-M186 VanDerWaalsContact NE2-CE 3.34Å; F182-M186 HydrophobicContact CD1-CG 3.92Å; F182-M186 HydrophobicContact CE1-CG 3.4Å; F182-M186 HydrophobicContact CE1-SD 3.96Å; F182-M186 HydrophobicContact CE2-CG 4.16Å; F182-M186 HydrophobicContact CE2-SD 4.07Å; F182-M186 HydrophobicContact CG-CG 4.5Å; F182-M186 HydrophobicContact CZ-CG 3.51Å; F182-M186 HydrophobicContact CZ-SD 3.45Å; F182-M186 WeakPolarHBondContact CZ-SD 3.36Å; F182-M186 WeakPolarHBondContact O-CG 3.16Å; F182-M186 PolarHBondContact O-N 2.9Å; A183-M186 PolarHBondContact O-N 2.93Å; M186-F188 VanDerWaalsContact C-N 3.27Å; M186-F188 PolarHBondContact O-N 3.06Å; M186-I189 PolarHBondContact O-N 3.47Å; M186-I189 VanDerWaalsContact O-N 3.1Å; M186-Q190 HydrophobicContact CE-CG 4.21Å; M186-Q190 VanDerWaalsContact CE-OE1 3.27Å; M186-Q190 WeakPolarHBondContact O-CB 3.37Å; M186-Q190 WeakPolarHBondContact O-CG 3.4Å; M186-Q190 PolarHBondContact O-N 3.38Å; M186-Q190 PolarHBondContact O-OE1 2.99Å
187	R	96.1	Very high	94.9	Very high	26 Å²	26	18.5 Å²	18.5	10%	0.098	9%	0.093	C	C	.	.	H	α-helix	trans	-55.4	-43	174.8	-75.1	-175.7	-77.7	-101.2	4.8	111.9	L152 A183 D184 Q190 G191 Q192	L152-R187 PolarHBondContact O-NH1 2.94Å; L152-R187 PolarHBondContact O-NH2 3.5Å; A183-R187 WeakPolarHBondContact O-CG 3.28Å; A183-R187 PolarHBondContact O-N 3.01Å; D184-R187 PolarHBondContact O-N 3.34Å; D184-R187 IonicContact OD1-CZ 3.51Å; D184-R187 IonicContact OD1-NE 2.89Å; D184-R187 IonicContact OD1-NH2 3.2Å; D184-R187 PolarHBondContact OD1-NH2 2.91Å; R187-Q190 PolarHBondContact O-N 2.63Å; R187-G191 WeakPolarHBondContact O-CA 3.12Å; R187-G191 PolarHBondContact O-N 2.8Å; R187-Q192 WeakPolarHBondContact CD-O 3.5Å; R187-Q192 HydrophobicContact CG-CB 4.41Å; R187-Q192 WeakPolarHBondContact CG-O 3.36Å; R187-Q192 PolarHBondContact O-N 3.31Å
188	F	96.3	Very high	94.9	Very high	5 Å²	5	25.3 Å²	25.3	2%	0.022	13%	0.128	C	C	.	.	H	α-helix	trans	-66.2	-37.8	175.8	164.6	-112.8	0	0	0	114.6	M31 R45 H172 D184 Y185 M186 Q190 A288 F290	M31-F188 HydrophobicContact CE-CE1 3.82Å; M31-F188 HydrophobicContact CE-CZ 3.99Å; M31-F188 HydrophobicContact SD-CE1 4.15Å; M31-F188 HydrophobicContact SD-CZ 3.84Å; R45-F188 PolarHBondContact NH2-O 3.37Å; H172-F188 AromaticContact NE2-CE1 3.97Å; D184-F188 WeakPolarHBondContact O-CB 3.28Å; D184-F188 PolarHBondContact O-N 3.04Å; D184-F188 VanDerWaalsContact O-N 3.07Å; Y185-F188 WeakPolarHBondContact O-CB 3.31Å; Y185-F188 PolarHBondContact O-N 3.34Å; M186-F188 VanDerWaalsContact C-N 3.27Å; M186-F188 PolarHBondContact O-N 3.06Å; F188-Q190 VanDerWaalsContact C-N 3.32Å; F188-A288 WeakPolarHBondContact CE2-O 3.19Å; F188-A288 HydrophobicContact CZ-CB 4.15Å; F188-F290 HydrophobicContact CB-CD2 3.58Å; F188-F290 HydrophobicContact CB-CE2 4.03Å; F188-F290 HydrophobicContact CD1-CD2 4.16Å; F188-F290 HydrophobicContact CD2-CB 3.86Å; F188-F290 AromaticContact CD2-CD2 3.97Å; F188-F290 HydrophobicContact CD2-CD2 3.97Å; F188-F290 HydrophobicContact CD2-CG 4.42Å; F188-F290 HydrophobicContact CE2-CB 3.87Å; F188-F290 HydrophobicContact CG-CB 4.22Å; F188-F290 AromaticContact CG-CD2 3.62Å; F188-F290 HydrophobicContact CG-CD2 3.62Å; F188-F290 HydrophobicContact CG-CE2 4.47Å; F188-F290 HydrophobicContact CG-CG 4.35Å; F188-F290 HydrophobicContact CZ-CB 4.23Å
189	I	97.5	Very high	94.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-68.8	-38.4	177.4	-68.2	-69.1	0	0	0	110.3	M31 R45 E49 Y185 M186	M31-I189 HydrophobicContact CE-CD1 3.69Å; R45-I189 HydrophobicContact CB-CD1 3.74Å; R45-I189 HydrophobicContact CB-CG2 3.93Å; R45-I189 WeakPolarHBondContact CD-O 3.43Å; R45-I189 PolarHBondContact NE-O 2.68Å; E49-I189 HydrophobicContact CG-CD1 4.05Å; Y185-I189 HydrophobicContact CD1-CG1 4.32Å; Y185-I189 HydrophobicContact CD2-CG1 4.19Å; Y185-I189 HydrophobicContact CE1-CG1 3.89Å; Y185-I189 HydrophobicContact CE2-CD1 3.82Å; Y185-I189 HydrophobicContact CE2-CG1 3.73Å; Y185-I189 HydrophobicContact CG-CG1 4.46Å; Y185-I189 VanDerWaalsContact O-CG1 3.29Å; Y185-I189 WeakPolarHBondContact O-CG1 3.32Å; Y185-I189 PolarHBondContact O-N 3.43Å; M186-I189 PolarHBondContact O-N 3.47Å; M186-I189 VanDerWaalsContact O-N 3.1Å
190	Q	96.1	Very high	94.8	Very high	53 Å²	53	33.9 Å²	33.9	25%	0.248	17%	0.17	C	C	.	.	H	α-helix	trans	-95.2	-7.9	-173.1	-63.8	173.9	-66.6	0	0	114.1	C38 M186 R187 F188 Q192	C38-Q190 CarbonylContact C-O 3.54Å; C38-Q190 WeakPolarHBondContact CA-O 3.39Å; M186-Q190 HydrophobicContact CE-CG 4.21Å; M186-Q190 VanDerWaalsContact CE-OE1 3.27Å; M186-Q190 WeakPolarHBondContact O-CB 3.37Å; M186-Q190 WeakPolarHBondContact O-CG 3.4Å; M186-Q190 PolarHBondContact O-N 3.38Å; M186-Q190 PolarHBondContact O-OE1 2.99Å; R187-Q190 PolarHBondContact O-N 2.63Å; F188-Q190 VanDerWaalsContact C-N 3.32Å; Q190-Q192 HydrophobicContact CB-CG 4.01Å; Q190-Q192 VanDerWaalsContact CD-OE1 3.29Å; Q190-Q192 VanDerWaalsContact OE1-OE1 3.09Å
191	G	94.9	Very high	94.8	Very high	7 Å²	7	38.4 Å²	38.4	7%	0.072	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	32.5	-178.8	0	0	0	0	0	113.9	R187 E193 K210	R187-G191 WeakPolarHBondContact O-CA 3.12Å; R187-G191 PolarHBondContact O-N 2.8Å; G191-E193 WeakPolarHBondContact CA-OE2 3.48Å; G191-K210 PolarHBondContact O-NZ 3.17Å
192	Q	94.8	Very high	94.8	Very high	58 Å²	58	39.7 Å²	39.7	27%	0.271	20%	0.204	S	C	.	.			trans	-109.5	33.7	-173.7	-68	176.5	-65.2	0	0	112	R187 Q190 S194 E195	R187-Q192 WeakPolarHBondContact CD-O 3.5Å; R187-Q192 HydrophobicContact CG-CB 4.41Å; R187-Q192 WeakPolarHBondContact CG-O 3.36Å; R187-Q192 PolarHBondContact O-N 3.31Å; Q190-Q192 HydrophobicContact CB-CG 4.01Å; Q190-Q192 VanDerWaalsContact CD-OE1 3.29Å; Q190-Q192 VanDerWaalsContact OE1-OE1 3.09Å; Q192-S194 PolarHBondContact O-N 3.46Å; Q192-E195 HydrophobicContact CB-CG 4.09Å; Q192-E195 VanDerWaalsContact CD-OE1 3.29Å; Q192-E195 PolarHBondContact NE2-OE1 2.9Å; Q192-E195 WeakPolarHBondContact O-CB 3.44Å; Q192-E195 PolarHBondContact O-N 2.82Å; Q192-E195 VanDerWaalsContact O-N 3.12Å
193	E	94.9	Very high	94.7	Very high	13 Å²	13	42.1 Å²	42.1	6%	0.061	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-63.5	-23.7	-176	-63.3	81.5	179	0	0	113.3	G191 E195 Q196 F206 L214 F292	G191-E193 WeakPolarHBondContact CA-OE2 3.48Å; E193-E195 PolarHBondContact O-N 3.12Å; E193-Q196 VanDerWaalsContact O-CG 3.22Å; E193-Q196 WeakPolarHBondContact O-CG 3.37Å; E193-Q196 PolarHBondContact O-N 3.49Å; E193-Q196 PolarHBondContact O-NE2 3.21Å; E193-F206 HydrophobicContact CB-CE1 4.36Å; E193-F206 HydrophobicContact CB-CE2 4.08Å; E193-F206 HydrophobicContact CB-CZ 3.67Å; E193-L214 HydrophobicContact CG-CD2 4.29Å; E193-F292 HydrophobicContact CB-CD1 4.29Å
194	S	93.9	Very high	94.6	Very high	17 Å²	17	48.3 Å²	48.3	12%	0.119	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-65.9	-24.4	175.2	47.1	0	0	0	0	113.4	Q192 Q196 L197 E207	Q192-S194 PolarHBondContact O-N 3.46Å; S194-Q196 PolarHBondContact O-N 3.23Å; S194-Q196 VanDerWaalsContact O-N 3.17Å; S194-L197 WeakPolarHBondContact O-CB 3.45Å; S194-L197 PolarHBondContact O-N 3.42Å; S194-E207 WeakPolarHBondContact CB-OE1 3.27Å; S194-E207 PolarHBondContact OG-OE1 2.67Å
195	E	92.1	Very high	94.6	Very high	109 Å²	109	52.5 Å²	52.5	51%	0.509	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-66	-18.5	-179.6	-65.3	-177.1	-179	0	0	113.3	Q192 E193 L197	Q192-E195 HydrophobicContact CB-CG 4.09Å; Q192-E195 VanDerWaalsContact CD-OE1 3.29Å; Q192-E195 PolarHBondContact NE2-OE1 2.9Å; Q192-E195 WeakPolarHBondContact O-CB 3.44Å; Q192-E195 PolarHBondContact O-N 2.82Å; Q192-E195 VanDerWaalsContact O-N 3.12Å; E193-E195 PolarHBondContact O-N 3.12Å; E195-L197 VanDerWaalsContact C-N 3.3Å
196	Q	92.3	Very high	94.5	Very high	24 Å²	24	52.5 Å²	52.5	11%	0.112	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-78.3	-15.8	175.6	84.8	-168	-69.4	0	0	113	E193 S194 F292	E193-Q196 VanDerWaalsContact O-CG 3.22Å; E193-Q196 WeakPolarHBondContact O-CG 3.37Å; E193-Q196 PolarHBondContact O-N 3.49Å; E193-Q196 PolarHBondContact O-NE2 3.21Å; S194-Q196 PolarHBondContact O-N 3.23Å; S194-Q196 VanDerWaalsContact O-N 3.17Å; Q196-F292 PolarHBondContact NE2-O 2.83Å
197	L	93.8	Very high	94.5	Very high	11 Å²	11	55.9 Å²	55.9	6%	0.058	27%	0.271	C	S	.	.			trans	-85.1	123.5	-175.6	-55.3	174.9	0	0	0	109.3	S194 E195 D202 K203 F206 F292 F295	S194-L197 WeakPolarHBondContact O-CB 3.45Å; S194-L197 PolarHBondContact O-N 3.42Å; E195-L197 VanDerWaalsContact C-N 3.3Å; L197-D202 HydrophobicContact CB-CB 4.44Å; L197-D202 HydrophobicContact CD1-CB 4.2Å; L197-D202 WeakPolarHBondContact CD1-O 3.23Å; L197-K203 HydrophobicContact CB-CG 3.79Å; L197-K203 HydrophobicContact CD1-CG 4.49Å; L197-K203 WeakPolarHBondContact O-CE 3.41Å; L197-F206 HydrophobicContact CD1-CB 3.76Å; L197-F206 HydrophobicContact CD1-CG 4.33Å; L197-F292 HydrophobicContact CD1-CE1 4.19Å; L197-F292 HydrophobicContact CD1-CZ 4.34Å; L197-F292 HydrophobicContact CD2-CE1 4.07Å; L197-F292 HydrophobicContact CD2-CZ 4.18Å; L197-F292 HydrophobicContact CG-CE1 4.45Å; L197-F295 HydrophobicContact CD1-CE2 4.18Å
198	L	88.4	Confident	94.4	Very high	144 Å²	144	60 Å²	60	75%	0.754	30%	0.295	S	S	*	.			trans	-81.5	-26.2	-174.3	-65.1	178.3	0	0	0	113.6	L152	L152-L198 HydrophobicContact CD2-CD2 3.94Å; L152-L198 HydrophobicContact CD2-CG 4.5Å
199	N	91.6	Very high	94.4	Very high	67 Å²	67	63.6 Å²	63.6	36%	0.358	31%	0.314	S	S	.	.	S	Bend	trans	-105.4	142.9	-178.8	73.8	71.9	0	0	0	111	T201 D202 K203	N199-T201 VanDerWaalsContact C-N 3.26Å; N199-T201 PolarHBondContact O-N 3.15Å; N199-T201 PolarHBondContact OD1-N 3Å; N199-D202 PolarHBondContact ND2-OD2 3.35Å; N199-D202 PolarHBondContact O-N 3.2Å; N199-D202 VanDerWaalsContact OD1-CB 3.25Å; N199-D202 WeakPolarHBondContact OD1-CB 3.31Å; N199-D202 VanDerWaalsContact OD1-CG 3.31Å; N199-D202 PolarHBondContact OD1-N 3.18Å; N199-D202 PolarHBondContact OD1-OD2 2.92Å; N199-K203 PolarHBondContact O-N 3.4Å
200	E	93	Very high	94.2	Very high	124 Å²	124	66.1 Å²	66.1	58%	0.579	33%	0.325	S	S	*	.	H	α-helix	trans	-67.9	-25.5	-176.4	-67.9	-56.6	134.6	0	0	113.2	K203 K204	E200-K203 PolarHBondContact O-N 3.25Å; E200-K203 IonicContact OE1-NZ 2.76Å; E200-K203 PolarHBondContact OE1-NZ 2.78Å; E200-K204 WeakPolarHBondContact O-CB 3.09Å; E200-K204 PolarHBondContact O-N 3.12Å
201	T	94.3	Very high	94.1	Very high	100 Å²	100	70.3 Å²	70.3	61%	0.613	35%	0.345	S	S	*	.	H	α-helix	trans	-65.7	-46.5	178.3	-59.5	0	0	0	0	111.3	N199 K204 R205	N199-T201 VanDerWaalsContact C-N 3.26Å; N199-T201 PolarHBondContact O-N 3.15Å; N199-T201 PolarHBondContact OD1-N 3Å; T201-K204 PolarHBondContact O-N 3.46Å; T201-R205 WeakPolarHBondContact O-CB 3.35Å; T201-R205 PolarHBondContact O-N 2.96Å
202	D	95.6	Very high	94.1	Very high	28 Å²	28	73 Å²	73	15%	0.15	37%	0.366	C	S	.	.	H	α-helix	trans	-70.8	-36.3	177.8	-75.2	-23.7	0	0	0	111.3	L197 N199 R205 F206 F295	L197-D202 HydrophobicContact CB-CB 4.44Å; L197-D202 HydrophobicContact CD1-CB 4.2Å; L197-D202 WeakPolarHBondContact CD1-O 3.23Å; N199-D202 PolarHBondContact ND2-OD2 3.35Å; N199-D202 PolarHBondContact O-N 3.2Å; N199-D202 VanDerWaalsContact OD1-CB 3.25Å; N199-D202 WeakPolarHBondContact OD1-CB 3.31Å; N199-D202 VanDerWaalsContact OD1-CG 3.31Å; N199-D202 PolarHBondContact OD1-N 3.18Å; N199-D202 PolarHBondContact OD1-OD2 2.92Å; D202-R205 PolarHBondContact O-N 3.04Å; D202-R205 IonicContact OD1-NH1 3.78Å; D202-R205 PolarHBondContact OD1-NH1 3.5Å; D202-F206 WeakPolarHBondContact O-CB 3.43Å; D202-F206 PolarHBondContact O-N 2.81Å; D202-F295 HydrophobicContact CB-CD2 3.72Å; D202-F295 HydrophobicContact CB-CE2 3.94Å; D202-F295 WeakPolarHBondContact O-CE2 3.34Å
203	K	95.7	Very high	94.2	Very high	61 Å²	61	70.6 Å²	70.6	27%	0.265	36%	0.355	S	S	.	.	H	α-helix	trans	-57.2	-52.2	171.6	-73.6	-175.9	-169.6	169.9	0	111.2	L197 N199 E200 R205 F206 E207	L197-K203 HydrophobicContact CB-CG 3.79Å; L197-K203 HydrophobicContact CD1-CG 4.49Å; L197-K203 WeakPolarHBondContact O-CE 3.41Å; N199-K203 PolarHBondContact O-N 3.4Å; E200-K203 PolarHBondContact O-N 3.25Å; E200-K203 IonicContact OE1-NZ 2.76Å; E200-K203 PolarHBondContact OE1-NZ 2.78Å; K203-R205 PolarHBondContact O-N 3.17Å; K203-F206 WeakPolarHBondContact O-CB 3.46Å; K203-F206 PolarHBondContact O-N 2.93Å; K203-F206 VanDerWaalsContact O-N 3.15Å; K203-E207 WeakPolarHBondContact O-CG 3.5Å; K203-E207 PolarHBondContact O-N 3.46Å
204	K	94.9	Very high	94.1	Very high	143 Å²	143	70.6 Å²	70.6	62%	0.622	36%	0.356	S	S	*	.	H	α-helix	trans	-59.4	-46.7	177.6	-176	173.6	-179.4	178.4	0	111.5	E200 T201 F206 E207 D208	E200-K204 WeakPolarHBondContact O-CB 3.09Å; E200-K204 PolarHBondContact O-N 3.12Å; T201-K204 PolarHBondContact O-N 3.46Å; K204-F206 VanDerWaalsContact C-N 3.26Å; K204-F206 PolarHBondContact O-N 2.99Å; K204-E207 PolarHBondContact O-N 3.26Å; K204-D208 WeakPolarHBondContact O-CB 3.46Å; K204-D208 PolarHBondContact O-N 3.38Å
205	R	95.3	Very high	94.2	Very high	93 Å²	93	71.4 Å²	71.4	35%	0.351	36%	0.361	S	S	.	.	H	α-helix	trans	-55.9	-41.8	175.8	-179.4	-176.2	-74	158.2	-7.3	112	T201 D202 K203 N209 F295 G299	T201-R205 WeakPolarHBondContact O-CB 3.35Å; T201-R205 PolarHBondContact O-N 2.96Å; D202-R205 PolarHBondContact O-N 3.04Å; D202-R205 IonicContact OD1-NH1 3.78Å; D202-R205 PolarHBondContact OD1-NH1 3.5Å; K203-R205 PolarHBondContact O-N 3.17Å; R205-N209 WeakPolarHBondContact O-CB 3.13Å; R205-N209 PolarHBondContact O-N 2.86Å; R205-N209 PolarHBondContact O-ND2 2.96Å; R205-F295 HydrophobicContact CB-CE2 4.38Å; R205-F295 HydrophobicContact CB-CZ 4.18Å; R205-F295 VanDerWaalsContact CD-CE1 3.46Å; R205-F295 HydrophobicContact CG-CE1 3.93Å; R205-F295 HydrophobicContact CG-CE2 4.31Å; R205-F295 HydrophobicContact CG-CZ 3.71Å; R205-G299 VanDerWaalsContact NH1-CA 3.3Å
206	F	96.8	Very high	94.4	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-64.8	-51.6	176.9	175.5	-89.1	0	0	0	111.5	E193 L197 D202 K203 K204 D208 N209 K210 I213 L214 F292 F295	E193-F206 HydrophobicContact CB-CE1 4.36Å; E193-F206 HydrophobicContact CB-CE2 4.08Å; E193-F206 HydrophobicContact CB-CZ 3.67Å; L197-F206 HydrophobicContact CD1-CB 3.76Å; L197-F206 HydrophobicContact CD1-CG 4.33Å; D202-F206 WeakPolarHBondContact O-CB 3.43Å; D202-F206 PolarHBondContact O-N 2.81Å; K203-F206 WeakPolarHBondContact O-CB 3.46Å; K203-F206 PolarHBondContact O-N 2.93Å; K203-F206 VanDerWaalsContact O-N 3.15Å; K204-F206 VanDerWaalsContact C-N 3.26Å; K204-F206 PolarHBondContact O-N 2.99Å; F206-D208 VanDerWaalsContact C-N 3.34Å; F206-D208 PolarHBondContact O-N 3.34Å; F206-N209 CarbonylContact O-C 3.57Å; F206-N209 VanDerWaalsContact O-C 3.3Å; F206-N209 PolarHBondContact O-N 3.43Å; F206-N209 VanDerWaalsContact O-N 3.08Å; F206-K210 HydrophobicContact CE1-CB 4.37Å; F206-K210 HydrophobicContact CE1-CD 4.05Å; F206-K210 HydrophobicContact CE1-CG 3.88Å; F206-K210 HydrophobicContact CZ-CD 4.45Å; F206-K210 HydrophobicContact CZ-CG 3.92Å; F206-K210 WeakPolarHBondContact O-CA 3.31Å; F206-K210 PolarHBondContact O-N 2.95Å; F206-I213 HydrophobicContact CB-CD1 4.38Å; F206-I213 HydrophobicContact CD2-CB 4.5Å; F206-I213 HydrophobicContact CD2-CD1 3.93Å; F206-I213 HydrophobicContact CD2-CG2 4.04Å; F206-I213 HydrophobicContact CE2-CG2 3.98Å; F206-I213 HydrophobicContact CG-CD1 4.47Å; F206-L214 HydrophobicContact CE2-CD2 4.15Å; F206-L214 HydrophobicContact CE2-CG 4.41Å; F206-L214 HydrophobicContact CZ-CD1 4.4Å; F206-L214 HydrophobicContact CZ-CD2 4.22Å; F206-L214 HydrophobicContact CZ-CG 4.29Å; F206-F292 AromaticContact CD2-CD1 3.9Å; F206-F292 HydrophobicContact CD2-CD1 3.9Å; F206-F292 AromaticContact CD2-CE1 3.43Å; F206-F292 HydrophobicContact CD2-CE1 3.43Å; F206-F292 VanDerWaalsContact CD2-CE1 3.43Å; F206-F292 HydrophobicContact CD2-CE2 4.4Å; F206-F292 AromaticContact CD2-CZ 3.71Å; F206-F292 HydrophobicContact CD2-CZ 3.71Å; F206-F292 AromaticContact CE2-CD1 3.74Å; F206-F292 HydrophobicContact CE2-CD1 3.74Å; F206-F292 AromaticContact CE2-CE1 3.77Å; F206-F292 HydrophobicContact CE2-CE1 3.77Å; F206-F292 HydrophobicContact CE2-CG 4.31Å; F206-F292 HydrophobicContact CE2-CZ 4.37Å; F206-F292 HydrophobicContact CG-CE1 4.34Å; F206-F295 HydrophobicContact CB-CE2 4.31Å; F206-F295 HydrophobicContact CB-CZ 4.24Å
207	E	95	Very high	94.6	Very high	91 Å²	91	73.2 Å²	73.2	43%	0.425	37%	0.368	S	S	.	.	H	α-helix	trans	-61.6	-42.1	-178.4	-65.6	-58.8	158.7	0	0	111.7	S194 K203 K204 N209	S194-E207 WeakPolarHBondContact CB-OE1 3.27Å; S194-E207 PolarHBondContact OG-OE1 2.67Å; K203-E207 WeakPolarHBondContact O-CG 3.5Å; K203-E207 PolarHBondContact O-N 3.46Å; K204-E207 PolarHBondContact O-N 3.26Å; E207-N209 PolarHBondContact O-N 2.94Å; E207-N209 VanDerWaalsContact O-N 3.16Å
208	D	95.3	Very high	94.7	Very high	112 Å²	112	76.8 Å²	76.8	60%	0.599	40%	0.398	S	S	*	.	H	α-helix	trans	-62.7	-22.8	177.1	-68.4	-15.6	0	0	0	112.7	K204 F206	K204-D208 WeakPolarHBondContact O-CB 3.46Å; K204-D208 PolarHBondContact O-N 3.38Å; F206-D208 VanDerWaalsContact C-N 3.34Å; F206-D208 PolarHBondContact O-N 3.34Å
209	N	95.4	Very high	95.1	Very high	80 Å²	80	71.1 Å²	71.1	43%	0.428	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.7	21.5	-173.9	-62.8	-88.9	0	0	0	113.4	R205 F206 E207 E211 A212 I213	R205-N209 WeakPolarHBondContact O-CB 3.13Å; R205-N209 PolarHBondContact O-N 2.86Å; R205-N209 PolarHBondContact O-ND2 2.96Å; F206-N209 CarbonylContact O-C 3.57Å; F206-N209 VanDerWaalsContact O-C 3.3Å; F206-N209 PolarHBondContact O-N 3.43Å; F206-N209 VanDerWaalsContact O-N 3.08Å; E207-N209 PolarHBondContact O-N 2.94Å; E207-N209 VanDerWaalsContact O-N 3.16Å; N209-E211 PolarHBondContact O-N 3.37Å; N209-A212 PolarHBondContact O-N 3.35Å; N209-I213 HydrophobicContact CB-CD1 3.82Å; N209-I213 HydrophobicContact CB-CG1 4.12Å; N209-I213 WeakPolarHBondContact O-CG1 3.38Å; N209-I213 PolarHBondContact O-N 3.37Å
210	K	94.7	Very high	95.4	Very high	54 Å²	54	70.4 Å²	70.4	24%	0.235	36%	0.362	C	S	.	.	H	α-helix	trans	-52.7	-52.1	-166.9	-178.6	171.2	-173.5	165.8	0	112.7	G191 F206 A212 I213 L214	G191-K210 PolarHBondContact O-NZ 3.17Å; F206-K210 HydrophobicContact CE1-CB 4.37Å; F206-K210 HydrophobicContact CE1-CD 4.05Å; F206-K210 HydrophobicContact CE1-CG 3.88Å; F206-K210 HydrophobicContact CZ-CD 4.45Å; F206-K210 HydrophobicContact CZ-CG 3.92Å; F206-K210 WeakPolarHBondContact O-CA 3.31Å; F206-K210 PolarHBondContact O-N 2.95Å; K210-A212 PolarHBondContact O-N 3.24Å; K210-I213 PolarHBondContact O-N 3.06Å; K210-L214 HydrophobicContact CG-CD1 3.89Å; K210-L214 HydrophobicContact CG-CG 4.43Å; K210-L214 WeakPolarHBondContact O-CB 3.33Å; K210-L214 WeakPolarHBondContact O-CG 3.06Å; K210-L214 PolarHBondContact O-N 2.62Å
211	E	92.5	Very high	95.6	Very high	140 Å²	140	72.3 Å²	72.3	65%	0.654	36%	0.364	S	S	*	.	H	α-helix	trans	-62.7	-41.7	-179.6	-74.9	-58.1	147.8	0	0	112.6	N209 S215	N209-E211 PolarHBondContact O-N 3.37Å; E211-S215 WeakPolarHBondContact O-CB 3.41Å; E211-S215 PolarHBondContact O-N 3.32Å
212	A	95.3	Very high	95.7	Very high	64 Å²	64	72 Å²	72	53%	0.529	35%	0.354	S	S	.	.	H	α-helix	trans	-65.3	-44.4	178.8	0	0	0	0	0	111.4	N209 K210 S215 A216	N209-A212 PolarHBondContact O-N 3.35Å; K210-A212 PolarHBondContact O-N 3.24Å; A212-S215 WeakPolarHBondContact O-CB 3.33Å; A212-S215 PolarHBondContact O-N 3.39Å; A212-S215 PolarHBondContact O-OG 3.1Å; A212-A216 PolarHBondContact O-N 2.86Å
213	I	96.6	Very high	95.8	Very high	8 Å²	8	70.9 Å²	70.9	4%	0.041	35%	0.348	C	S	.	.	H	α-helix	trans	-64.3	-51	178.1	-68.1	166.5	0	0	0	110.5	F206 N209 K210 S215 A216 F292 F295 P301 Y303	F206-I213 HydrophobicContact CB-CD1 4.38Å; F206-I213 HydrophobicContact CD2-CB 4.5Å; F206-I213 HydrophobicContact CD2-CD1 3.93Å; F206-I213 HydrophobicContact CD2-CG2 4.04Å; F206-I213 HydrophobicContact CE2-CG2 3.98Å; F206-I213 HydrophobicContact CG-CD1 4.47Å; N209-I213 HydrophobicContact CB-CD1 3.82Å; N209-I213 HydrophobicContact CB-CG1 4.12Å; N209-I213 WeakPolarHBondContact O-CG1 3.38Å; N209-I213 PolarHBondContact O-N 3.37Å; K210-I213 PolarHBondContact O-N 3.06Å; I213-S215 PolarHBondContact O-N 3.32Å; I213-A216 PolarHBondContact O-N 2.81Å; I213-F292 HydrophobicContact CG2-CB 4.38Å; I213-F292 HydrophobicContact CG2-CD2 3.37Å; I213-F292 HydrophobicContact CG2-CE2 3.67Å; I213-F292 HydrophobicContact CG2-CG 3.86Å; I213-F292 HydrophobicContact CG2-CZ 4.39Å; I213-F295 HydrophobicContact CD1-CE1 3.92Å; I213-F295 HydrophobicContact CD1-CZ 3.69Å; I213-P301 HydrophobicContact CG1-CB 4.32Å; I213-P301 HydrophobicContact CG1-CG 4.48Å; I213-P301 HydrophobicContact CG2-CB 4.07Å; I213-Y303 VanDerWaalsContact O-CE1 3.3Å; I213-Y303 WeakPolarHBondContact O-CE1 3.36Å; I213-Y303 PolarHBondContact O-OH 3.28Å
214	L	94.5	Very high	95.8	Very high	13 Å²	13	72.2 Å²	72.2	7%	0.068	36%	0.356	C	S	.	.	H	α-helix	trans	-70.3	-21.3	179.4	-62.9	-177.9	0	0	0	112.2	R32 E193 F206 K210 A216 F292	R32-L214 PolarHBondContact NH1-O 3.05Å; R32-L214 VanDerWaalsContact NH2-C 3.32Å; R32-L214 PolarHBondContact NH2-O 3.43Å; E193-L214 HydrophobicContact CG-CD2 4.29Å; F206-L214 HydrophobicContact CE2-CD2 4.15Å; F206-L214 HydrophobicContact CE2-CG 4.41Å; F206-L214 HydrophobicContact CZ-CD1 4.4Å; F206-L214 HydrophobicContact CZ-CD2 4.22Å; F206-L214 HydrophobicContact CZ-CG 4.29Å; K210-L214 HydrophobicContact CG-CD1 3.89Å; K210-L214 HydrophobicContact CG-CG 4.43Å; K210-L214 WeakPolarHBondContact O-CB 3.33Å; K210-L214 WeakPolarHBondContact O-CG 3.06Å; K210-L214 PolarHBondContact O-N 2.62Å; L214-A216 PolarHBondContact O-N 2.77Å; L214-F292 HydrophobicContact CD2-CB 4.46Å
215	S	94.4	Very high	96	Very high	34 Å²	34	71.4 Å²	71.4	24%	0.238	35%	0.353	C	S	.	.	H	α-helix	trans	-61.5	-33.2	168.8	88.2	0	0	0	0	112.2	R32 E211 A212 I213 K217 K220	R32-S215 VanDerWaalsContact NH2-N 3.17Å; E211-S215 WeakPolarHBondContact O-CB 3.41Å; E211-S215 PolarHBondContact O-N 3.32Å; A212-S215 WeakPolarHBondContact O-CB 3.33Å; A212-S215 PolarHBondContact O-N 3.39Å; A212-S215 PolarHBondContact O-OG 3.1Å; I213-S215 PolarHBondContact O-N 3.32Å; S215-K217 PolarHBondContact O-N 3.47Å; S215-K217 PolarHBondContact OG-N 3.06Å; S215-K220 WeakPolarHBondContact O-CE 3.3Å; S215-K220 PolarHBondContact O-NZ 2.72Å
216	A	96.6	Very high	96.1	Very high	3 Å²	3	68.7 Å²	68.7	3%	0.025	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.4	35	-178.9	0	0	0	0	0	113.5	A212 I213 L214 A218 E219 K220 L286 Y303	A212-A216 PolarHBondContact O-N 2.86Å; I213-A216 PolarHBondContact O-N 2.81Å; L214-A216 PolarHBondContact O-N 2.77Å; A216-A218 PolarHBondContact O-N 3.24Å; A216-E219 HydrophobicContact CB-CB 4.42Å; A216-E219 PolarHBondContact O-N 3.02Å; A216-K220 HydrophobicContact CB-CG 4.45Å; A216-K220 WeakPolarHBondContact O-CB 2.86Å; A216-K220 WeakPolarHBondContact O-CG 3.21Å; A216-K220 PolarHBondContact O-N 3.37Å; A216-L286 HydrophobicContact CB-CD2 3.92Å; A216-Y303 WeakPolarHBondContact CA-OH 3.47Å; A216-Y303 HydrophobicContact CB-CD1 3.96Å; A216-Y303 HydrophobicContact CB-CE1 3.4Å; A216-Y303 HydrophobicContact CB-CE2 4.23Å
217	K	96.4	Very high	96.1	Very high	168 Å²	168	69.7 Å²	69.7	73%	0.73	35%	0.35	S	S	*	.	H	α-helix	trans	-55.9	-47.8	-170.2	-174	179.4	179	-178.6	0	112.6	S215 W221	S215-K217 PolarHBondContact O-N 3.47Å; S215-K217 PolarHBondContact OG-N 3.06Å; K217-W221 WeakPolarHBondContact O-CB 3.47Å; K217-W221 PolarHBondContact O-N 3.07Å; K217-W221 VanDerWaalsContact O-N 3.08Å
218	A	96	Very high	96.2	Very high	85 Å²	85	70.9 Å²	70.9	70%	0.702	36%	0.359	S	S	*	.	H	α-helix	trans	-63.9	-45	179.3	0	0	0	0	0	111.8	A216 W221 K222	A216-A218 PolarHBondContact O-N 3.24Å; A218-W221 PolarHBondContact O-N 2.97Å; A218-K222 PolarHBondContact O-N 3.15Å
219	E	96.8	Very high	96.3	Very high	26 Å²	26	69 Å²	69	12%	0.121	35%	0.348	C	S	.	.	H	α-helix	trans	-67.6	-43.5	-179.8	-173.2	62.3	-162.5	0	0	111.6	A216 W221 K222 Q223 L286 Y303	A216-E219 HydrophobicContact CB-CB 4.42Å; A216-E219 PolarHBondContact O-N 3.02Å; E219-W221 VanDerWaalsContact C-N 3.28Å; E219-W221 PolarHBondContact O-N 3.28Å; E219-K222 WeakPolarHBondContact O-CB 3.33Å; E219-K222 PolarHBondContact O-N 3.44Å; E219-K222 VanDerWaalsContact O-N 3.1Å; E219-K222 VanDerWaalsContact OE1-CE 3.23Å; E219-K222 WeakPolarHBondContact OE1-CE 3.48Å; E219-K222 IonicContact OE1-NZ 3.18Å; E219-K222 PolarHBondContact OE1-NZ 3.07Å; E219-K222 WeakPolarHBondContact OE2-CE 3.37Å; E219-K222 IonicContact OE2-NZ 2.83Å; E219-K222 PolarHBondContact OE2-NZ 3.39Å; E219-Q223 HydrophobicContact CG-CG 4.39Å; E219-Q223 WeakPolarHBondContact O-CG 3.48Å; E219-Q223 PolarHBondContact O-N 2.94Å; E219-Q223 PolarHBondContact OE1-NE2 3.07Å; E219-L286 HydrophobicContact CB-CD1 4.3Å; E219-L286 HydrophobicContact CG-CD1 3.66Å; E219-L286 HydrophobicContact CG-CD2 4.39Å; E219-Y303 HydrophobicContact CB-CD2 3.6Å; E219-Y303 HydrophobicContact CB-CE2 3.84Å; E219-Y303 HydrophobicContact CB-CG 4.27Å; E219-Y303 HydrophobicContact CG-CD2 3.68Å; E219-Y303 HydrophobicContact CG-CE2 4.43Å; E219-Y303 HydrophobicContact CG-CG 4.05Å
220	K	97.2	Very high	96.3	Very high	51 Å²	51	65.1 Å²	65.1	22%	0.222	33%	0.328	C	S	.	.	H	α-helix	trans	-57.8	-40.9	173.6	-74.6	-172.1	-59.9	-159.5	0	112.1	S215 A216 Q223 M224 L283 L286 V287	S215-K220 WeakPolarHBondContact O-CE 3.3Å; S215-K220 PolarHBondContact O-NZ 2.72Å; A216-K220 HydrophobicContact CB-CG 4.45Å; A216-K220 WeakPolarHBondContact O-CB 2.86Å; A216-K220 WeakPolarHBondContact O-CG 3.21Å; A216-K220 PolarHBondContact O-N 3.37Å; K220-Q223 PolarHBondContact O-N 2.86Å; K220-M224 WeakPolarHBondContact O-CB 3.39Å; K220-M224 PolarHBondContact O-N 2.79Å; K220-L283 HydrophobicContact CB-CD1 4.08Å; K220-L283 HydrophobicContact CG-CD1 4.09Å; K220-L286 HydrophobicContact CD-CB 4.13Å; K220-L286 HydrophobicContact CG-CB 3.63Å; K220-L286 HydrophobicContact CG-CD1 4.06Å; K220-L286 HydrophobicContact CG-CG 4.48Å; K220-V287 HydrophobicContact CD-CG2 3.99Å
221	W	97.2	Very high	96.3	Very high	165 Å²	165	63.3 Å²	63.3	63%	0.625	32%	0.324	S	S	*	.	H	α-helix	trans	-65.7	-39.8	176.5	-168.5	-122.6	0	0	0	112.1	K217 A218 E219 M224 K225	K217-W221 WeakPolarHBondContact O-CB 3.47Å; K217-W221 PolarHBondContact O-N 3.07Å; K217-W221 VanDerWaalsContact O-N 3.08Å; A218-W221 PolarHBondContact O-N 2.97Å; E219-W221 VanDerWaalsContact C-N 3.28Å; E219-W221 PolarHBondContact O-N 3.28Å; W221-M224 PolarHBondContact O-N 3.24Å; W221-K225 WeakPolarHBondContact O-CG 3.16Å; W221-K225 PolarHBondContact O-N 2.93Å; W221-K225 VanDerWaalsContact O-N 3.12Å
222	K	97.1	Very high	96.5	Very high	92 Å²	92	61.6 Å²	61.6	40%	0.4	32%	0.319	S	S	.	.	H	α-helix	trans	-59.6	-50.5	172.4	-170.4	-173.1	96.3	-158.7	0	111.3	A218 E219 M224 K225 L226	A218-K222 PolarHBondContact O-N 3.15Å; E219-K222 WeakPolarHBondContact O-CB 3.33Å; E219-K222 PolarHBondContact O-N 3.44Å; E219-K222 VanDerWaalsContact O-N 3.1Å; E219-K222 VanDerWaalsContact OE1-CE 3.23Å; E219-K222 WeakPolarHBondContact OE1-CE 3.48Å; E219-K222 IonicContact OE1-NZ 3.18Å; E219-K222 PolarHBondContact OE1-NZ 3.07Å; E219-K222 WeakPolarHBondContact OE2-CE 3.37Å; E219-K222 IonicContact OE2-NZ 2.83Å; E219-K222 PolarHBondContact OE2-NZ 3.39Å; K222-M224 VanDerWaalsContact C-N 3.33Å; K222-M224 PolarHBondContact O-N 3.22Å; K222-K225 PolarHBondContact O-N 3.32Å; K222-L226 HydrophobicContact CG-CD1 4.41Å; K222-L226 WeakPolarHBondContact O-CG 3.3Å; K222-L226 PolarHBondContact O-N 2.91Å
223	Q	97.3	Very high	96.6	Very high	6 Å²	6	60.3 Å²	60.3	3%	0.028	30%	0.302	C	S	.	.	H	α-helix	trans	-65.4	-35.1	-179.8	-62.3	-57.4	-24.7	0	0	112	E219 K220 L226 L227 T279 L283 L286	E219-Q223 HydrophobicContact CG-CG 4.39Å; E219-Q223 WeakPolarHBondContact O-CG 3.48Å; E219-Q223 PolarHBondContact O-N 2.94Å; E219-Q223 PolarHBondContact OE1-NE2 3.07Å; K220-Q223 PolarHBondContact O-N 2.86Å; Q223-L226 PolarHBondContact O-N 3.43Å; Q223-L227 VanDerWaalsContact O-CB 3.28Å; Q223-L227 WeakPolarHBondContact O-CB 3.48Å; Q223-L227 PolarHBondContact O-N 2.95Å; Q223-T279 HydrophobicContact CB-CG2 4.38Å; Q223-T279 VanDerWaalsContact O-CG2 3.28Å; Q223-T279 WeakPolarHBondContact O-CG2 3.22Å; Q223-L283 HydrophobicContact CB-CD1 4.46Å; Q223-L286 HydrophobicContact CG-CD1 3.89Å
224	M	97	Very high	96.4	Very high	89 Å²	89	61 Å²	61	44%	0.438	31%	0.306	S	S	.	.	H	α-helix	trans	-63.1	-43.4	174	-171.6	64.3	71.8	0	0	112.2	K220 W221 K222 L227 L228 L283	K220-M224 WeakPolarHBondContact O-CB 3.39Å; K220-M224 PolarHBondContact O-N 2.79Å; W221-M224 PolarHBondContact O-N 3.24Å; K222-M224 VanDerWaalsContact C-N 3.33Å; K222-M224 PolarHBondContact O-N 3.22Å; M224-L227 PolarHBondContact O-N 2.82Å; M224-L227 HydrophobicContact SD-CD2 4.45Å; M224-L228 PolarHBondContact O-N 3.44Å; M224-L283 HydrophobicContact CE-CD1 4.45Å; M224-L283 HydrophobicContact CE-CD2 3.53Å; M224-L283 HydrophobicContact SD-CD2 4.19Å
225	K	97.6	Very high	96.3	Very high	126 Å²	126	65.6 Å²	65.6	55%	0.548	33%	0.33	S	S	.	.	H	α-helix	trans	-63.7	-43.1	175.5	-71.4	177.4	-179.8	-179.9	0	111.9	W221 K222 L227 L228 L229	W221-K225 WeakPolarHBondContact O-CG 3.16Å; W221-K225 PolarHBondContact O-N 2.93Å; W221-K225 VanDerWaalsContact O-N 3.12Å; K222-K225 PolarHBondContact O-N 3.32Å; K225-L227 VanDerWaalsContact C-N 3.35Å; K225-L228 PolarHBondContact O-N 3.3Å; K225-L229 WeakPolarHBondContact O-CB 3.41Å; K225-L229 PolarHBondContact O-N 3.23Å
226	L	97.5	Very high	96.4	Very high	35 Å²	35	68.6 Å²	68.6	18%	0.183	34%	0.336	C	S	.	.	H	α-helix	trans	-64.4	-40.3	175.5	-71.8	173.6	0	0	0	111.4	K222 Q223 L228 L229 H230 T279 F311	K222-L226 HydrophobicContact CG-CD1 4.41Å; K222-L226 WeakPolarHBondContact O-CG 3.3Å; K222-L226 PolarHBondContact O-N 2.91Å; Q223-L226 PolarHBondContact O-N 3.43Å; L226-L228 VanDerWaalsContact C-N 3.35Å; L226-L228 PolarHBondContact O-N 3.3Å; L226-L229 HydrophobicContact CD2-CD2 4.49Å; L226-L229 PolarHBondContact O-N 3.24Å; L226-H230 WeakPolarHBondContact O-CB 3.33Å; L226-H230 PolarHBondContact O-CD2 3.15Å; L226-H230 VanDerWaalsContact O-CG 3.27Å; L226-H230 PolarHBondContact O-N 3.16Å; L226-T279 HydrophobicContact CB-CG2 3.99Å; L226-F311 HydrophobicContact CD2-CD1 4.18Å
227	L	96.8	Very high	96.2	Very high	21 Å²	21	68.7 Å²	68.7	11%	0.11	34%	0.337	C	S	.	.	H	α-helix	trans	-60.8	-45.1	177.1	-176.8	65.1	0	0	0	111.1	Q223 M224 K225 G231 F276 T279 L280 L283	Q223-L227 VanDerWaalsContact O-CB 3.28Å; Q223-L227 WeakPolarHBondContact O-CB 3.48Å; Q223-L227 PolarHBondContact O-N 2.95Å; M224-L227 PolarHBondContact O-N 2.82Å; M224-L227 HydrophobicContact SD-CD2 4.45Å; K225-L227 VanDerWaalsContact C-N 3.35Å; L227-G231 PolarHBondContact O-N 3.24Å; L227-F276 HydrophobicContact CD1-CD2 3.68Å; L227-F276 HydrophobicContact CD1-CE2 3.55Å; L227-F276 HydrophobicContact CD1-CG 4.37Å; L227-F276 HydrophobicContact CD1-CZ 4.12Å; L227-F276 HydrophobicContact CG-CE2 4.25Å; L227-T279 HydrophobicContact CB-CG2 3.88Å; L227-T279 HydrophobicContact CD1-CG2 4.43Å; L227-L280 HydrophobicContact CD1-CB 3.8Å; L227-L280 HydrophobicContact CD1-CD1 4.43Å; L227-L280 HydrophobicContact CD2-CD1 3.94Å; L227-L283 HydrophobicContact CD2-CD2 4.09Å
228	L	97	Very high	95.7	Very high	117 Å²	117	65.9 Å²	65.9	61%	0.613	33%	0.325	S	S	*	.	H	α-helix	trans	-61.2	-47.8	175.2	179.9	62.5	0	0	0	111.4	M224 K225 L226 G231 I232	M224-L228 PolarHBondContact O-N 3.44Å; K225-L228 PolarHBondContact O-N 3.3Å; L226-L228 VanDerWaalsContact C-N 3.35Å; L226-L228 PolarHBondContact O-N 3.3Å; L228-G231 PolarHBondContact O-N 2.81Å; L228-I232 HydrophobicContact CD1-CD1 4.2Å; L228-I232 HydrophobicContact CG-CD1 4.15Å; L228-I232 WeakPolarHBondContact O-CG1 3.43Å; L228-I232 PolarHBondContact O-N 3Å
229	L	97.5	Very high	95.3	Very high	71 Å²	71	66.7 Å²	66.7	37%	0.372	32%	0.318	S	S	.	.	H	α-helix	trans	-58	-52.5	177.4	175.4	64.1	0	0	0	111.4	K225 L226 G231 I232 L233 F311	K225-L229 WeakPolarHBondContact O-CB 3.41Å; K225-L229 PolarHBondContact O-N 3.23Å; L226-L229 HydrophobicContact CD2-CD2 4.49Å; L226-L229 PolarHBondContact O-N 3.24Å; L229-G231 VanDerWaalsContact C-N 3.28Å; L229-G231 PolarHBondContact O-N 3.21Å; L229-I232 PolarHBondContact O-N 3.37Å; L229-L233 HydrophobicContact CD1-CD1 3.86Å; L229-L233 HydrophobicContact CD1-CG 4.18Å; L229-L233 HydrophobicContact CG-CD1 3.9Å; L229-L233 WeakPolarHBondContact O-CB 3.27Å; L229-L233 VanDerWaalsContact O-CG 3.29Å; L229-L233 WeakPolarHBondContact O-CG 3.47Å; L229-L233 PolarHBondContact O-N 3.5Å; L229-F311 HydrophobicContact CD2-CE1 4.28Å
230	H	96.8	Very high	95	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-65.2	-32.7	179.4	-66	-46.9	0	0	0	111.9	L226 L234 Q272 Y275 F276 F311	L226-H230 WeakPolarHBondContact O-CB 3.33Å; L226-H230 PolarHBondContact O-CD2 3.15Å; L226-H230 VanDerWaalsContact O-CG 3.27Å; L226-H230 PolarHBondContact O-N 3.16Å; H230-L234 WeakPolarHBondContact O-CB 3.25Å; H230-L234 PolarHBondContact O-N 3.1Å; H230-Q272 PolarHBondContact ND1-OE1 2.84Å; H230-Y275 AromaticContact CE1-CD2 3.65Å; H230-Y275 AromaticContact CE1-CG 3.95Å; H230-Y275 AromaticContact ND1-CD2 3.79Å; H230-F276 HydrophobicContact CB-CB 4.1Å; H230-F311 AromaticContact CE1-CD2 3.54Å; H230-F311 AromaticContact CE1-CE2 3.7Å; H230-F311 AromaticContact CE1-CG 3.85Å
231	G	94.8	Very high	94.8	Very high	16 Å²	16	67 Å²	67	17%	0.165	33%	0.326	C	S	.	.	H	α-helix	trans	-62.8	-47.6	173.4	0	0	0	0	0	112.2	L227 L228 L229 L234 L235	L227-G231 PolarHBondContact O-N 3.24Å; L228-G231 PolarHBondContact O-N 2.81Å; L229-G231 VanDerWaalsContact C-N 3.28Å; L229-G231 PolarHBondContact O-N 3.21Å; G231-L234 PolarHBondContact O-N 3.36Å; G231-L235 WeakPolarHBondContact O-CG 3.23Å; G231-L235 PolarHBondContact O-N 3.38Å; G231-L235 VanDerWaalsContact O-N 3.08Å
232	I	96.2	Very high	94.6	Very high	104 Å²	104	66.1 Å²	66.1	53%	0.533	33%	0.327	S	S	.	.	H	α-helix	trans	-62	-47.7	176.1	-66.1	165.4	0	0	0	110.6	L228 L229 L234 L235 W236	L228-I232 HydrophobicContact CD1-CD1 4.2Å; L228-I232 HydrophobicContact CG-CD1 4.15Å; L228-I232 WeakPolarHBondContact O-CG1 3.43Å; L228-I232 PolarHBondContact O-N 3Å; L229-I232 PolarHBondContact O-N 3.37Å; I232-L234 VanDerWaalsContact C-N 3.32Å; I232-L234 PolarHBondContact O-N 3.13Å; I232-L235 PolarHBondContact O-N 3.23Å; I232-W236 PolarHBondContact O-N 2.9Å
233	L	96.5	Very high	94.4	Very high	36 Å²	36	63.2 Å²	63.2	19%	0.188	32%	0.317	C	S	.	.	H	α-helix	trans	-67	-32.4	179.9	-66.3	174	0	0	0	112.5	L229 W236 S237 F268 Q272	L229-L233 HydrophobicContact CD1-CD1 3.86Å; L229-L233 HydrophobicContact CD1-CG 4.18Å; L229-L233 HydrophobicContact CG-CD1 3.9Å; L229-L233 WeakPolarHBondContact O-CB 3.27Å; L229-L233 VanDerWaalsContact O-CG 3.29Å; L229-L233 WeakPolarHBondContact O-CG 3.47Å; L229-L233 PolarHBondContact O-N 3.5Å; L233-W236 HydrophobicContact CD2-CE3 4.5Å; L233-W236 PolarHBondContact O-N 3.2Å; L233-S237 WeakPolarHBondContact O-CB 3.3Å; L233-S237 PolarHBondContact O-N 2.73Å; L233-F268 HydrophobicContact CD1-CE1 4.01Å; L233-F268 HydrophobicContact CD1-CZ 3.82Å; L233-F268 HydrophobicContact CD2-CE1 4.31Å; L233-Q272 HydrophobicContact CB-CG 3.74Å
234	L	93.8	Very high	94.2	Very high	24 Å²	24	68 Å²	68	13%	0.126	34%	0.339	C	S	.	.	H	α-helix	trans	-65.8	-46.3	174.9	178.8	58.6	0	0	0	111.1	H230 G231 I232 W236 S237 F238 Q272 K273 F276	H230-L234 WeakPolarHBondContact O-CB 3.25Å; H230-L234 PolarHBondContact O-N 3.1Å; G231-L234 PolarHBondContact O-N 3.36Å; I232-L234 VanDerWaalsContact C-N 3.32Å; I232-L234 PolarHBondContact O-N 3.13Å; L234-W236 VanDerWaalsContact C-N 3.32Å; L234-W236 PolarHBondContact O-N 2.99Å; L234-S237 PolarHBondContact O-N 2.89Å; L234-F238 HydrophobicContact CD1-CD2 3.58Å; L234-F238 HydrophobicContact CD1-CE2 3.23Å; L234-F238 HydrophobicContact CD1-CZ 3.95Å; L234-F238 HydrophobicContact CD2-CE2 3.97Å; L234-F238 HydrophobicContact CG-CD2 3.69Å; L234-F238 HydrophobicContact CG-CE2 3.47Å; L234-F238 VanDerWaalsContact CG-CE2 3.47Å; L234-F238 VanDerWaalsContact O-CD2 3.28Å; L234-F238 WeakPolarHBondContact O-CD2 3.5Å; L234-F238 PolarHBondContact O-N 2.81Å; L234-Q272 HydrophobicContact CB-CB 4.12Å; L234-Q272 HydrophobicContact CD1-CB 4.29Å; L234-K273 HydrophobicContact CD1-CB 3.79Å; L234-F276 HydrophobicContact CD2-CB 3.97Å; L234-F276 HydrophobicContact CD2-CD1 4.01Å; L234-F276 HydrophobicContact CD2-CD2 4.5Å; L234-F276 HydrophobicContact CD2-CG 3.89Å
235	L	92.5	Very high	94.2	Very high	108 Å²	108	65 Å²	65	57%	0.565	33%	0.328	S	S	*	.	H	α-helix	trans	-60.5	-42.4	174.7	-68.8	174.4	0	0	0	111.6	G231 I232 N239	G231-L235 WeakPolarHBondContact O-CG 3.23Å; G231-L235 PolarHBondContact O-N 3.38Å; G231-L235 VanDerWaalsContact O-N 3.08Å; I232-L235 PolarHBondContact O-N 3.23Å; L235-N239 PolarHBondContact O-N 3.2Å; L235-N239 PolarHBondContact O-ND2 2.92Å
236	W	94.9	Very high	94.1	Very high	97 Å²	97	59 Å²	59	37%	0.367	30%	0.302	S	S	.	.	H	α-helix	trans	-60.9	-46	173.3	165.3	75.7	0	0	0	111.8	I232 L233 L234 N239 S240 F241 I265 F268	I232-W236 PolarHBondContact O-N 2.9Å; L233-W236 HydrophobicContact CD2-CE3 4.5Å; L233-W236 PolarHBondContact O-N 3.2Å; L234-W236 VanDerWaalsContact C-N 3.32Å; L234-W236 PolarHBondContact O-N 2.99Å; W236-N239 PolarHBondContact O-N 2.98Å; W236-S240 PolarHBondContact NE1-OG 3.23Å; W236-S240 VanDerWaalsContact O-CB 3.26Å; W236-S240 WeakPolarHBondContact O-CB 3.3Å; W236-S240 PolarHBondContact O-N 3.36Å; W236-S240 VanDerWaalsContact O-N 3.09Å; W236-S240 PolarHBondContact O-OG 2.76Å; W236-F241 AromaticContact CH2-CE2 3.48Å; W236-F241 HydrophobicContact CH2-CE2 3.48Å; W236-F241 VanDerWaalsContact CH2-CE2 3.48Å; W236-F241 HydrophobicContact CH2-CZ 4.06Å; W236-F241 AromaticContact CZ2-CE2 3.55Å; W236-F241 HydrophobicContact CZ2-CE2 3.55Å; W236-F241 AromaticContact CZ2-CZ 3.93Å; W236-F241 HydrophobicContact CZ2-CZ 3.93Å; W236-F241 AromaticContact CZ3-CE2 3.99Å; W236-F241 HydrophobicContact CZ3-CE2 3.99Å; W236-I265 HydrophobicContact CH2-CG2 3.55Å; W236-I265 HydrophobicContact CZ2-CG2 3.87Å; W236-F268 HydrophobicContact CZ3-CD1 4.12Å; W236-F268 HydrophobicContact CZ3-CE1 4.45Å
237	S	92.9	Very high	94.1	Very high	5 Å²	5	59.3 Å²	59.3	4%	0.035	30%	0.304	C	S	.	.	H	α-helix	trans	-63.5	-44.7	-178.8	-177.8	0	0	0	0	112.4	L233 L234 N239 S240 F241 G269	L233-S237 WeakPolarHBondContact O-CB 3.3Å; L233-S237 PolarHBondContact O-N 2.73Å; L234-S237 PolarHBondContact O-N 2.89Å; S237-N239 PolarHBondContact O-N 3.35Å; S237-S240 PolarHBondContact O-N 2.78Å; S237-F241 PolarHBondContact O-N 3.29Å; S237-G269 WeakPolarHBondContact CB-O 3.16Å; S237-G269 WeakPolarHBondContact OG-CA 3.3Å; S237-G269 PolarHBondContact OG-O 3.45Å
238	F	85.8	Confident	94	Very high	110 Å²	110	60.2 Å²	60.2	48%	0.482	31%	0.312	S	S	.	.	H	α-helix	trans	-61	-35.3	-179.5	-86.4	-59.5	0	0	0	112.5	L234	L234-F238 HydrophobicContact CD1-CD2 3.58Å; L234-F238 HydrophobicContact CD1-CE2 3.23Å; L234-F238 HydrophobicContact CD1-CZ 3.95Å; L234-F238 HydrophobicContact CD2-CE2 3.97Å; L234-F238 HydrophobicContact CG-CD2 3.69Å; L234-F238 HydrophobicContact CG-CE2 3.47Å; L234-F238 VanDerWaalsContact CG-CE2 3.47Å; L234-F238 VanDerWaalsContact O-CD2 3.28Å; L234-F238 WeakPolarHBondContact O-CD2 3.5Å; L234-F238 PolarHBondContact O-N 2.81Å
239	N	87.7	Confident	93.9	Very high	102 Å²	102	61.3 Å²	61.3	55%	0.545	31%	0.314	S	S	.	.	H	α-helix	trans	-79	-26.2	177.7	-73.3	-58.5	0	0	0	113.1	L235 W236 S237	L235-N239 PolarHBondContact O-N 3.2Å; L235-N239 PolarHBondContact O-ND2 2.92Å; W236-N239 PolarHBondContact O-N 2.98Å; S237-N239 PolarHBondContact O-N 3.35Å
240	S	90.5	Very high	93.8	Very high	59 Å²	59	63 Å²	63	41%	0.413	32%	0.323	S	S	.	.	H	α-helix	trans	-101.6	-28.1	-167.7	-55.7	0	0	0	0	114.2	W236 S237	W236-S240 PolarHBondContact NE1-OG 3.23Å; W236-S240 VanDerWaalsContact O-CB 3.26Å; W236-S240 WeakPolarHBondContact O-CB 3.3Å; W236-S240 PolarHBondContact O-N 3.36Å; W236-S240 VanDerWaalsContact O-N 3.09Å; W236-S240 PolarHBondContact O-OG 2.76Å; S237-S240 PolarHBondContact O-N 2.78Å
241	F	93.1	Very high	93.8	Very high	25 Å²	25	63.1 Å²	63.1	11%	0.11	32%	0.324	C	S	.	.			trans	-132.8	137.7	-170.2	-55.3	-72.2	0	0	0	113.3	W236 S237 Y262 I265 A266 F270	W236-F241 AromaticContact CH2-CE2 3.48Å; W236-F241 HydrophobicContact CH2-CE2 3.48Å; W236-F241 VanDerWaalsContact CH2-CE2 3.48Å; W236-F241 HydrophobicContact CH2-CZ 4.06Å; W236-F241 AromaticContact CZ2-CE2 3.55Å; W236-F241 HydrophobicContact CZ2-CE2 3.55Å; W236-F241 AromaticContact CZ2-CZ 3.93Å; W236-F241 HydrophobicContact CZ2-CZ 3.93Å; W236-F241 AromaticContact CZ3-CE2 3.99Å; W236-F241 HydrophobicContact CZ3-CE2 3.99Å; S237-F241 PolarHBondContact O-N 3.29Å; F241-Y262 HydrophobicContact CD1-CE2 4.23Å; F241-Y262 HydrophobicContact CE1-CE2 4.08Å; F241-I265 HydrophobicContact CE1-CG2 4.3Å; F241-I265 HydrophobicContact CE2-CG2 4.09Å; F241-I265 HydrophobicContact CZ-CB 4.43Å; F241-I265 HydrophobicContact CZ-CG2 3.48Å; F241-I265 VanDerWaalsContact CZ-CG2 3.48Å; F241-A266 HydrophobicContact CB-CB 4.49Å; F241-A266 HydrophobicContact CD1-CB 3.54Å; F241-A266 HydrophobicContact CE1-CB 3.95Å; F241-A266 HydrophobicContact CG-CB 3.99Å; F241-F270 HydrophobicContact CB-CE1 3.88Å; F241-F270 HydrophobicContact CB-CE2 4.24Å; F241-F270 HydrophobicContact CB-CZ 3.6Å
242	K	92.8	Very high	93.9	Very high	146 Å²	146	64.3 Å²	64.3	64%	0.635	33%	0.332	S	S	*	.			trans	-128.6	138.1	169.2	-64.3	-172.8	179.5	-178.1	0	109.2	E244 A245	K242-E244 WeakPolarHBondContact CB-OE2 3.37Å; K242-E244 PolarHBondContact O-N 3.44Å; K242-E244 VanDerWaalsContact O-N 3.15Å; K242-A245 VanDerWaalsContact O-CB 3.26Å; K242-A245 WeakPolarHBondContact O-CB 3.42Å; K242-A245 PolarHBondContact O-N 3.35Å
243	P	93.1	Very high	93.9	Very high	30 Å²	30	66.5 Å²	66.5	20%	0.195	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-53.4	-34.3	-179.8	-29.9	38	0	0	0	113.9	A245 F246 F270 L421 L422	P243-A245 PolarHBondContact O-N 3.42Å; P243-A245 VanDerWaalsContact O-N 3.14Å; P243-F246 WeakPolarHBondContact O-CD2 3.45Å; P243-F246 PolarHBondContact O-N 3.15Å; P243-F246 VanDerWaalsContact O-N 3.16Å; P243-F270 HydrophobicContact CG-CE1 4.02Å; P243-F270 HydrophobicContact CG-CZ 4.12Å; P243-L421 HydrophobicContact CB-CB 4.08Å; P243-L421 HydrophobicContact CG-CB 4.3Å; P243-L422 HydrophobicContact CB-CD2 4.29Å
244	E	93.9	Very high	93.9	Very high	108 Å²	108	68.1 Å²	68.1	51%	0.505	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-61.8	-21.8	-179.7	-63.3	72.3	-157.1	0	0	112.8	K242 F246 L247 S248	K242-E244 WeakPolarHBondContact CB-OE2 3.37Å; K242-E244 PolarHBondContact O-N 3.44Å; K242-E244 VanDerWaalsContact O-N 3.15Å; E244-F246 PolarHBondContact O-N 3.5Å; E244-L247 WeakPolarHBondContact O-CB 3.47Å; E244-L247 PolarHBondContact O-N 3.33Å; E244-S248 PolarHBondContact O-N 2.94Å
245	A	95.6	Very high	94	Very high	25 Å²	25	71.1 Å²	71.1	21%	0.207	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-61.5	-27.5	177.3	0	0	0	0	0	112.5	K242 P243 L247 S248 F251 Y262	K242-A245 VanDerWaalsContact O-CB 3.26Å; K242-A245 WeakPolarHBondContact O-CB 3.42Å; K242-A245 PolarHBondContact O-N 3.35Å; P243-A245 PolarHBondContact O-N 3.42Å; P243-A245 VanDerWaalsContact O-N 3.14Å; A245-L247 PolarHBondContact O-N 2.86Å; A245-S248 WeakPolarHBondContact O-CB 3.3Å; A245-S248 PolarHBondContact O-N 3.27Å; A245-S248 PolarHBondContact O-OG 3.01Å; A245-F251 VanDerWaalsContact O-CB 3.3Å; A245-F251 WeakPolarHBondContact O-CB 3.39Å; A245-Y262 HydrophobicContact CB-CE1 4.42Å; A245-Y262 WeakPolarHBondContact CB-OH 3.2Å
246	F	96.4	Very high	94.1	Very high	0 Å²	0	70 Å²	70	0%	0	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-68.7	-11.3	172.7	-67.1	-61.1	0	0	0	114.2	P243 E244 F251 Y262 L263 A266 F270 V418 L421 F431 Q434	P243-F246 WeakPolarHBondContact O-CD2 3.45Å; P243-F246 PolarHBondContact O-N 3.15Å; P243-F246 VanDerWaalsContact O-N 3.16Å; E244-F246 PolarHBondContact O-N 3.5Å; F246-F251 HydrophobicContact CD1-CD2 4.11Å; F246-F251 AromaticContact CD1-CE2 3.81Å; F246-F251 HydrophobicContact CD1-CE2 3.81Å; F246-F251 HydrophobicContact CD1-CZ 4.11Å; F246-F251 HydrophobicContact CE1-CE2 4.16Å; F246-Y262 HydrophobicContact CD1-CD1 4.21Å; F246-Y262 HydrophobicContact CD1-CE1 4.01Å; F246-Y262 AromaticContact CE1-CD1 3.75Å; F246-Y262 HydrophobicContact CE1-CD1 3.75Å; F246-Y262 AromaticContact CE1-CE1 3.72Å; F246-Y262 HydrophobicContact CE1-CE1 3.72Å; F246-Y262 HydrophobicContact CZ-CE1 4.27Å; F246-L263 HydrophobicContact CE1-CB 4.42Å; F246-L263 HydrophobicContact CE1-CD1 3.76Å; F246-L263 HydrophobicContact CZ-CD1 3.93Å; F246-A266 HydrophobicContact CE1-CB 4.44Å; F246-A266 HydrophobicContact CZ-CB 3.76Å; F246-F270 HydrophobicContact CE2-CD2 4.36Å; F246-F270 AromaticContact CE2-CE2 3.65Å; F246-F270 HydrophobicContact CE2-CE2 3.65Å; F246-F270 HydrophobicContact CZ-CE2 4.23Å; F246-V418 HydrophobicContact CB-CG1 4.38Å; F246-V418 HydrophobicContact CD2-CG1 3.93Å; F246-V418 HydrophobicContact CD2-CG2 4.06Å; F246-V418 HydrophobicContact CE1-CG2 4.25Å; F246-V418 HydrophobicContact CE2-CG1 4.4Å; F246-V418 HydrophobicContact CE2-CG2 3.74Å; F246-V418 HydrophobicContact CG-CG1 4.18Å; F246-V418 HydrophobicContact CG-CG2 4.44Å; F246-V418 HydrophobicContact CZ-CG2 3.84Å; F246-L421 HydrophobicContact CE2-CD1 4.24Å; F246-F431 HydrophobicContact CB-CD2 3.87Å; F246-F431 HydrophobicContact CB-CE2 4.33Å; F246-F431 HydrophobicContact CD1-CD2 4.29Å; F246-F431 AromaticContact CD1-CE2 3.9Å; F246-F431 HydrophobicContact CD1-CE2 3.9Å; F246-F431 HydrophobicContact CG-CD2 4.34Å; F246-F431 HydrophobicContact CG-CE2 4.33Å; F246-Q434 PolarHBondContact O-OE1 3.21Å
247	L	96.8	Very high	94	Very high	42 Å²	42	72.5 Å²	72.5	22%	0.22	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-102	-8.4	176.6	-54.9	177.1	0	0	0	112.3	E244 A245 L422 K427 H430 F431	E244-L247 WeakPolarHBondContact O-CB 3.47Å; E244-L247 PolarHBondContact O-N 3.33Å; A245-L247 PolarHBondContact O-N 2.86Å; L247-L422 HydrophobicContact CD1-CD2 4.11Å; L247-L422 HydrophobicContact CD2-CD1 3.92Å; L247-L422 HydrophobicContact CD2-CD2 4.37Å; L247-L422 HydrophobicContact CG-CD2 4.11Å; L247-K427 HydrophobicContact CD1-CB 4.01Å; L247-K427 HydrophobicContact CD1-CD 3.93Å; L247-K427 HydrophobicContact CD1-CG 3.73Å; L247-K427 HydrophobicContact CD2-CB 4.12Å; L247-K427 WeakPolarHBondContact CD2-O 3.44Å; L247-H430 HydrophobicContact CD2-CB 4.24Å; L247-F431 HydrophobicContact CD2-CB 4.45Å
248	S	96.2	Very high	94.2	Very high	39 Å²	39	76.8 Å²	76.8	27%	0.273	38%	0.382	S	S	.	.	S	Bend	trans	-69	151.6	-175.2	68.4	0	0	0	0	112.7	E244 A245 D250 F251 A252	E244-S248 PolarHBondContact O-N 2.94Å; A245-S248 WeakPolarHBondContact O-CB 3.3Å; A245-S248 PolarHBondContact O-N 3.27Å; A245-S248 PolarHBondContact O-OG 3.01Å; S248-D250 PolarHBondContact O-N 3.02Å; S248-F251 PolarHBondContact O-N 3.01Å; S248-F251 PolarHBondContact OG-N 3.3Å; S248-F251 VanDerWaalsContact OG-N 3.07Å; S248-A252 PolarHBondContact O-N 3.32Å; S248-A252 VanDerWaalsContact O-N 3.09Å
249	E	95	Very high	94.8	Very high	140 Å²	140	72.3 Å²	72.3	65%	0.654	36%	0.362	S	S	*	.	H	α-helix	trans	-58.2	-33.6	168.2	-67.8	-168.9	-177.4	0	0	111.9	F251 A252 K253	E249-F251 VanDerWaalsContact C-N 3.31Å; E249-F251 PolarHBondContact O-N 3.06Å; E249-A252 WeakPolarHBondContact O-CB 3.43Å; E249-A252 PolarHBondContact O-N 2.8Å; E249-A252 VanDerWaalsContact O-N 3.11Å; E249-K253 WeakPolarHBondContact O-CG 3.28Å; E249-K253 PolarHBondContact O-N 2.96Å; E249-K253 IonicContact OE2-NZ 3.82Å; E249-K253 PolarHBondContact OE2-NZ 3.21Å
250	D	95.5	Very high	95.1	Very high	107 Å²	107	70 Å²	70	57%	0.572	35%	0.347	S	S	*	.	H	α-helix	trans	-63.6	-36.6	178.3	-72.3	-16.7	0	0	0	112.4	S248 K254	S248-D250 PolarHBondContact O-N 3.02Å; D250-K254 WeakPolarHBondContact O-CE 3.45Å; D250-K254 WeakPolarHBondContact O-CG 3.41Å; D250-K254 PolarHBondContact O-NZ 3.39Å
251	F	96.6	Very high	95.4	Very high	2 Å²	2	70.8 Å²	70.8	1%	0.009	35%	0.346	C	S	.	.	H	α-helix	trans	-71.5	-40.4	171.2	-177	-87.1	0	0	0	110.8	A245 F246 S248 E249 K253 K254 K259 Y262 F431 M435	A245-F251 VanDerWaalsContact O-CB 3.3Å; A245-F251 WeakPolarHBondContact O-CB 3.39Å; F246-F251 HydrophobicContact CD1-CD2 4.11Å; F246-F251 AromaticContact CD1-CE2 3.81Å; F246-F251 HydrophobicContact CD1-CE2 3.81Å; F246-F251 HydrophobicContact CD1-CZ 4.11Å; F246-F251 HydrophobicContact CE1-CE2 4.16Å; S248-F251 PolarHBondContact O-N 3.01Å; S248-F251 PolarHBondContact OG-N 3.3Å; S248-F251 VanDerWaalsContact OG-N 3.07Å; E249-F251 VanDerWaalsContact C-N 3.31Å; E249-F251 PolarHBondContact O-N 3.06Å; F251-K253 VanDerWaalsContact C-N 3.33Å; F251-K253 PolarHBondContact O-N 3.29Å; F251-K254 WeakPolarHBondContact O-CB 3.21Å; F251-K254 PolarHBondContact O-N 3.35Å; F251-K259 HydrophobicContact CE1-CD 4.2Å; F251-K259 HydrophobicContact CE1-CG 4.1Å; F251-K259 HydrophobicContact CE2-CB 4.22Å; F251-K259 HydrophobicContact CE2-CG 4.12Å; F251-K259 HydrophobicContact CZ-CB 3.97Å; F251-K259 HydrophobicContact CZ-CD 4.35Å; F251-K259 HydrophobicContact CZ-CG 3.85Å; F251-K259 WeakPolarHBondContact O-CE 3.25Å; F251-Y262 AromaticContact CD2-CD1 3.61Å; F251-Y262 HydrophobicContact CD2-CD1 3.61Å; F251-Y262 HydrophobicContact CD2-CE1 4.1Å; F251-Y262 HydrophobicContact CD2-CG 4.31Å; F251-Y262 AromaticContact CE2-CD1 3.71Å; F251-Y262 HydrophobicContact CE2-CD1 3.71Å; F251-Y262 HydrophobicContact CE2-CE1 4.48Å; F251-Y262 HydrophobicContact CE2-CG 4.44Å; F251-F431 HydrophobicContact CE1-CD2 4.03Å; F251-F431 AromaticContact CE1-CE2 3.85Å; F251-F431 HydrophobicContact CE1-CE2 3.85Å; F251-F431 HydrophobicContact CZ-CD2 4.37Å; F251-F431 AromaticContact CZ-CE2 3.75Å; F251-F431 HydrophobicContact CZ-CE2 3.75Å; F251-M435 HydrophobicContact CE1-CG 4.41Å; F251-M435 HydrophobicContact CE1-SD 3.94Å; F251-M435 HydrophobicContact CZ-SD 3.76Å
252	A	95.8	Very high	95.6	Very high	41 Å²	41	72 Å²	72	34%	0.339	35%	0.35	S	S	.	.	H	α-helix	trans	-58.6	-41.9	178.5	0	0	0	0	0	112.8	S248 E249 K254 K259 Q434	S248-A252 PolarHBondContact O-N 3.32Å; S248-A252 VanDerWaalsContact O-N 3.09Å; E249-A252 WeakPolarHBondContact O-CB 3.43Å; E249-A252 PolarHBondContact O-N 2.8Å; E249-A252 VanDerWaalsContact O-N 3.11Å; A252-K254 VanDerWaalsContact C-N 3.32Å; A252-K254 PolarHBondContact O-N 3.39Å; A252-K259 WeakPolarHBondContact O-CE 3.23Å; A252-K259 PolarHBondContact O-NZ 2.99Å; A252-Q434 HydrophobicContact CB-CG 4.29Å
253	K	96.4	Very high	95.8	Very high	150 Å²	150	65 Å²	65	65%	0.652	32%	0.32	S	S	*	.	H	α-helix	trans	-69.6	-20.2	-179.9	-72.1	169.2	-171.5	161.6	0	114.3	E249 F251	E249-K253 WeakPolarHBondContact O-CG 3.28Å; E249-K253 PolarHBondContact O-N 2.96Å; E249-K253 IonicContact OE2-NZ 3.82Å; E249-K253 PolarHBondContact OE2-NZ 3.21Å; F251-K253 VanDerWaalsContact C-N 3.33Å; F251-K253 PolarHBondContact O-N 3.29Å
254	K	96.8	Very high	95.9	Very high	70 Å²	70	65.4 Å²	65.4	30%	0.304	32%	0.323	S	S	.	.	S	Bend	trans	-64.5	143.3	178.7	-73.7	175	-154	-34.8	0	111.4	D250 F251 A252 Q258 K259	D250-K254 WeakPolarHBondContact O-CE 3.45Å; D250-K254 WeakPolarHBondContact O-CG 3.41Å; D250-K254 PolarHBondContact O-NZ 3.39Å; F251-K254 WeakPolarHBondContact O-CB 3.21Å; F251-K254 PolarHBondContact O-N 3.35Å; A252-K254 VanDerWaalsContact C-N 3.32Å; A252-K254 PolarHBondContact O-N 3.39Å; K254-Q258 HydrophobicContact CB-CB 3.82Å; K254-Q258 HydrophobicContact CD-CB 4.27Å; K254-Q258 HydrophobicContact CG-CB 4.08Å; K254-K259 HydrophobicContact CB-CG 3.74Å; K254-K259 WeakPolarHBondContact O-CE 3.49Å; K254-K259 PolarHBondContact O-NZ 3.18Å
255	N	96.2	Very high	96.1	Very high	88 Å²	88	63.8 Å²	63.8	47%	0.471	32%	0.317	S	S	.	.			trans	-69.1	167.1	168.5	69.7	40.8	0	0	0	110.7	F257 Q258 K259	N255-F257 VanDerWaalsContact C-N 3.3Å; N255-F257 PolarHBondContact O-N 3.5Å; N255-F257 WeakPolarHBondContact OD1-CB 3.42Å; N255-F257 PolarHBondContact OD1-N 3.27Å; N255-Q258 PolarHBondContact O-N 3.45Å; N255-Q258 WeakPolarHBondContact OD1-CB 3.44Å; N255-Q258 WeakPolarHBondContact OD1-CG 3.15Å; N255-Q258 PolarHBondContact OD1-N 3.21Å; N255-K259 WeakPolarHBondContact O-CG 3.47Å; N255-K259 PolarHBondContact O-N 2.76Å
256	Y	93.3	Very high	96.1	Very high	83 Å²	83	62.6 Å²	62.6	33%	0.325	31%	0.307	S	S	.	.	H	α-helix	trans	-60.7	-37.9	-175.1	-73.9	-73.5	0	0	0	113.7	K259 F260 R436	Y256-K259 PolarHBondContact O-N 3.01Å; Y256-F260 WeakPolarHBondContact O-CD2 3.47Å; Y256-F260 WeakPolarHBondContact O-CG 3.49Å; Y256-F260 PolarHBondContact O-N 3.08Å; Y256-R436 WeakPolarHBondContact OH-CD 3.49Å; Y256-R436 WeakPolarHBondContact OH-CG 3.34Å; Y256-R436 PolarHBondContact OH-NE 3.03Å
257	F	94.4	Very high	96.2	Very high	151 Å²	151	62.9 Å²	62.9	66%	0.662	31%	0.309	S	S	*	.	H	α-helix	trans	-62.1	-47.7	177.6	-177.8	-105.6	0	0	0	111.2	N255 K259 F260 I261	N255-F257 VanDerWaalsContact C-N 3.3Å; N255-F257 PolarHBondContact O-N 3.5Å; N255-F257 WeakPolarHBondContact OD1-CB 3.42Å; N255-F257 PolarHBondContact OD1-N 3.27Å; F257-K259 PolarHBondContact O-N 2.99Å; F257-F260 PolarHBondContact O-N 3.44Å; F257-I261 HydrophobicContact CD1-CD1 3.77Å; F257-I261 HydrophobicContact CE1-CD1 3.27Å; F257-I261 HydrophobicContact CE1-CG1 4.45Å; F257-I261 HydrophobicContact CE2-CD1 4.16Å; F257-I261 HydrophobicContact CG-CD1 4.4Å; F257-I261 HydrophobicContact CZ-CD1 3.5Å; F257-I261 HydrophobicContact CZ-CG1 4.45Å; F257-I261 WeakPolarHBondContact O-CG1 3.32Å; F257-I261 PolarHBondContact O-N 2.79Å
258	Q	96.8	Very high	96.2	Very high	94 Å²	94	63.1 Å²	63.1	44%	0.439	31%	0.309	S	S	.	.	H	α-helix	trans	-62	-40.9	174.7	-71.4	171.1	-27.8	0	0	112.3	K254 N255 I261 Y262	K254-Q258 HydrophobicContact CB-CB 3.82Å; K254-Q258 HydrophobicContact CD-CB 4.27Å; K254-Q258 HydrophobicContact CG-CB 4.08Å; N255-Q258 PolarHBondContact O-N 3.45Å; N255-Q258 WeakPolarHBondContact OD1-CB 3.44Å; N255-Q258 WeakPolarHBondContact OD1-CG 3.15Å; N255-Q258 PolarHBondContact OD1-N 3.21Å; Q258-I261 PolarHBondContact O-N 2.96Å; Q258-Y262 WeakPolarHBondContact O-CB 3.3Å; Q258-Y262 PolarHBondContact O-N 3.37Å
259	K	97.1	Very high	96.2	Very high	16 Å²	16	61.2 Å²	61.2	7%	0.07	30%	0.296	C	S	.	.	H	α-helix	trans	-61	-44.8	175.6	-75.4	175.6	170.8	166.8	0	111.4	F251 A252 K254 N255 Y256 F257 Y262 L263 Q434 M435	F251-K259 HydrophobicContact CE1-CD 4.2Å; F251-K259 HydrophobicContact CE1-CG 4.1Å; F251-K259 HydrophobicContact CE2-CB 4.22Å; F251-K259 HydrophobicContact CE2-CG 4.12Å; F251-K259 HydrophobicContact CZ-CB 3.97Å; F251-K259 HydrophobicContact CZ-CD 4.35Å; F251-K259 HydrophobicContact CZ-CG 3.85Å; F251-K259 WeakPolarHBondContact O-CE 3.25Å; A252-K259 WeakPolarHBondContact O-CE 3.23Å; A252-K259 PolarHBondContact O-NZ 2.99Å; K254-K259 HydrophobicContact CB-CG 3.74Å; K254-K259 WeakPolarHBondContact O-CE 3.49Å; K254-K259 PolarHBondContact O-NZ 3.18Å; N255-K259 WeakPolarHBondContact O-CG 3.47Å; N255-K259 PolarHBondContact O-N 2.76Å; Y256-K259 PolarHBondContact O-N 3.01Å; F257-K259 PolarHBondContact O-N 2.99Å; K259-Y262 PolarHBondContact O-N 2.84Å; K259-L263 WeakPolarHBondContact O-CB 3.27Å; K259-L263 PolarHBondContact O-N 3.17Å; K259-Q434 PolarHBondContact NZ-O 2.53Å; K259-M435 HydrophobicContact CB-CE 4.5Å; K259-M435 HydrophobicContact CB-SD 3.98Å; K259-M435 HydrophobicContact CD-SD 3.9Å; K259-M435 HydrophobicContact CG-SD 4.36Å
260	F	95.4	Very high	96.1	Very high	53 Å²	53	55.7 Å²	55.7	23%	0.232	27%	0.269	C	S	.	.	H	α-helix	trans	-67.8	-39.5	179.1	-70.6	-47.4	0	0	0	113.3	Y256 F257 S264 L411 M435 I438	Y256-F260 WeakPolarHBondContact O-CD2 3.47Å; Y256-F260 WeakPolarHBondContact O-CG 3.49Å; Y256-F260 PolarHBondContact O-N 3.08Å; F257-F260 PolarHBondContact O-N 3.44Å; F260-S264 WeakPolarHBondContact O-CB 3.26Å; F260-S264 PolarHBondContact O-N 3.28Å; F260-S264 PolarHBondContact O-OG 3.45Å; F260-L411 HydrophobicContact CB-CD2 3.94Å; F260-L411 HydrophobicContact CD1-CD1 4.25Å; F260-L411 HydrophobicContact CD1-CD2 3.79Å; F260-L411 HydrophobicContact CG-CD1 4.35Å; F260-L411 HydrophobicContact CG-CD2 4.14Å; F260-M435 HydrophobicContact CD1-CE 3.89Å; F260-M435 HydrophobicContact CE1-CE 3.49Å; F260-M435 VanDerWaalsContact CE1-CE 3.49Å; F260-M435 HydrophobicContact CZ-CE 4.25Å; F260-I438 HydrophobicContact CE1-CG2 4.26Å; F260-I438 HydrophobicContact CZ-CD1 4.07Å; F260-I438 HydrophobicContact CZ-CG2 4.06Å
261	I	96.4	Very high	96.1	Very high	76 Å²	76	52 Å²	52	39%	0.39	25%	0.247	S	C	.	.	H	α-helix	trans	-62.6	-51.4	173.4	-70.9	174.4	0	0	0	110	F257 Q258 L263 S264 I265	F257-I261 HydrophobicContact CD1-CD1 3.77Å; F257-I261 HydrophobicContact CE1-CD1 3.27Å; F257-I261 HydrophobicContact CE1-CG1 4.45Å; F257-I261 HydrophobicContact CE2-CD1 4.16Å; F257-I261 HydrophobicContact CG-CD1 4.4Å; F257-I261 HydrophobicContact CZ-CD1 3.5Å; F257-I261 HydrophobicContact CZ-CG1 4.45Å; F257-I261 WeakPolarHBondContact O-CG1 3.32Å; F257-I261 PolarHBondContact O-N 2.79Å; Q258-I261 PolarHBondContact O-N 2.96Å; I261-L263 PolarHBondContact O-N 3.14Å; I261-S264 PolarHBondContact O-N 2.96Å; I261-I265 HydrophobicContact CG2-CD1 3.64Å; I261-I265 HydrophobicContact CG2-CG1 4.36Å; I261-I265 WeakPolarHBondContact O-CG1 3.38Å; I261-I265 PolarHBondContact O-N 2.86Å
262	Y	96.8	Very high	96.1	Very high	51 Å²	51	51.9 Å²	51.9	20%	0.2	25%	0.247	C	C	.	.	H	α-helix	trans	-58.8	-48.2	179.7	-176.1	-91.2	0	0	0	111.5	F241 A245 F246 F251 Q258 K259 S264 I265 A266	F241-Y262 HydrophobicContact CD1-CE2 4.23Å; F241-Y262 HydrophobicContact CE1-CE2 4.08Å; A245-Y262 HydrophobicContact CB-CE1 4.42Å; A245-Y262 WeakPolarHBondContact CB-OH 3.2Å; F246-Y262 HydrophobicContact CD1-CD1 4.21Å; F246-Y262 HydrophobicContact CD1-CE1 4.01Å; F246-Y262 AromaticContact CE1-CD1 3.75Å; F246-Y262 HydrophobicContact CE1-CD1 3.75Å; F246-Y262 AromaticContact CE1-CE1 3.72Å; F246-Y262 HydrophobicContact CE1-CE1 3.72Å; F246-Y262 HydrophobicContact CZ-CE1 4.27Å; F251-Y262 AromaticContact CD2-CD1 3.61Å; F251-Y262 HydrophobicContact CD2-CD1 3.61Å; F251-Y262 HydrophobicContact CD2-CE1 4.1Å; F251-Y262 HydrophobicContact CD2-CG 4.31Å; F251-Y262 AromaticContact CE2-CD1 3.71Å; F251-Y262 HydrophobicContact CE2-CD1 3.71Å; F251-Y262 HydrophobicContact CE2-CE1 4.48Å; F251-Y262 HydrophobicContact CE2-CG 4.44Å; Q258-Y262 WeakPolarHBondContact O-CB 3.3Å; Q258-Y262 PolarHBondContact O-N 3.37Å; K259-Y262 PolarHBondContact O-N 2.84Å; Y262-S264 VanDerWaalsContact C-N 3.3Å; Y262-S264 PolarHBondContact O-N 3.38Å; Y262-I265 PolarHBondContact O-N 3.37Å; Y262-A266 HydrophobicContact CD1-CB 4.39Å; Y262-A266 HydrophobicContact CE1-CB 4.09Å; Y262-A266 WeakPolarHBondContact O-CB 3.41Å; Y262-A266 PolarHBondContact O-N 3.05Å
263	L	97.1	Very high	95.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-54.8	-45.9	175.8	177.5	66	0	0	0	111.7	F246 K259 I261 C267 N414 V418 F431 M435	F246-L263 HydrophobicContact CE1-CB 4.42Å; F246-L263 HydrophobicContact CE1-CD1 3.76Å; F246-L263 HydrophobicContact CZ-CD1 3.93Å; K259-L263 WeakPolarHBondContact O-CB 3.27Å; K259-L263 PolarHBondContact O-N 3.17Å; I261-L263 PolarHBondContact O-N 3.14Å; L263-C267 WeakPolarHBondContact O-CB 3.46Å; L263-C267 PolarHBondContact O-N 3.19Å; L263-C267 PolarHBondContact O-SG 2.94Å; L263-C267 VanDerWaalsContact O-SG 3.32Å; L263-N414 HydrophobicContact CD1-CB 4.23Å; L263-N414 HydrophobicContact CD2-CB 4.22Å; L263-N414 HydrophobicContact CG-CB 3.9Å; L263-V418 HydrophobicContact CD1-CG2 3.38Å; L263-F431 HydrophobicContact CD1-CZ 4.03Å; L263-M435 HydrophobicContact CD2-CE 4.4Å
264	S	96.2	Very high	95.7	Very high	38 Å²	38	51 Å²	51	27%	0.266	24%	0.236	S	C	.	.	H	α-helix	trans	-66.6	-47.4	-177.7	-58.7	0	0	0	0	112.3	F260 I261 Y262 F268 L411	F260-S264 WeakPolarHBondContact O-CB 3.26Å; F260-S264 PolarHBondContact O-N 3.28Å; F260-S264 PolarHBondContact O-OG 3.45Å; I261-S264 PolarHBondContact O-N 2.96Å; Y262-S264 VanDerWaalsContact C-N 3.3Å; Y262-S264 PolarHBondContact O-N 3.38Å; S264-F268 VanDerWaalsContact O-CB 3.26Å; S264-F268 WeakPolarHBondContact O-CB 3.1Å; S264-F268 PolarHBondContact O-N 3.11Å; S264-L411 WeakPolarHBondContact OG-CD2 3.41Å
265	I	96.8	Very high	95.7	Very high	73 Å²	73	47.7 Å²	47.7	37%	0.374	22%	0.221	S	C	.	.	H	α-helix	trans	-67.7	-45.8	-179.6	-62.1	175.4	0	0	0	110.5	W236 F241 I261 Y262 F268 G269	W236-I265 HydrophobicContact CH2-CG2 3.55Å; W236-I265 HydrophobicContact CZ2-CG2 3.87Å; F241-I265 HydrophobicContact CE1-CG2 4.3Å; F241-I265 HydrophobicContact CE2-CG2 4.09Å; F241-I265 HydrophobicContact CZ-CB 4.43Å; F241-I265 HydrophobicContact CZ-CG2 3.48Å; F241-I265 VanDerWaalsContact CZ-CG2 3.48Å; I261-I265 HydrophobicContact CG2-CD1 3.64Å; I261-I265 HydrophobicContact CG2-CG1 4.36Å; I261-I265 WeakPolarHBondContact O-CG1 3.38Å; I261-I265 PolarHBondContact O-N 2.86Å; Y262-I265 PolarHBondContact O-N 3.37Å; I265-F268 WeakPolarHBondContact O-CB 3.4Å; I265-F268 PolarHBondContact O-N 3.17Å; I265-G269 PolarHBondContact O-N 3Å
266	A	97	Very high	95.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.6	-47.4	-179.9	0	0	0	0	0	111.4	F241 F246 Y262 F268 G269 F270	F241-A266 HydrophobicContact CB-CB 4.49Å; F241-A266 HydrophobicContact CD1-CB 3.54Å; F241-A266 HydrophobicContact CE1-CB 3.95Å; F241-A266 HydrophobicContact CG-CB 3.99Å; F246-A266 HydrophobicContact CE1-CB 4.44Å; F246-A266 HydrophobicContact CZ-CB 3.76Å; Y262-A266 HydrophobicContact CD1-CB 4.39Å; Y262-A266 HydrophobicContact CE1-CB 4.09Å; Y262-A266 WeakPolarHBondContact O-CB 3.41Å; Y262-A266 PolarHBondContact O-N 3.05Å; A266-F268 VanDerWaalsContact C-N 3.34Å; A266-F268 PolarHBondContact O-N 3.05Å; A266-G269 CarbonylContact O-C 3.59Å; A266-G269 WeakPolarHBondContact O-CA 3.43Å; A266-G269 PolarHBondContact O-N 3.28Å; A266-G269 VanDerWaalsContact O-N 3.12Å; A266-F270 HydrophobicContact CB-CD2 4.42Å; A266-F270 HydrophobicContact CB-CE2 3.94Å; A266-F270 WeakPolarHBondContact O-CD2 3.18Å; A266-F270 WeakPolarHBondContact O-CG 3.3Å; A266-F270 PolarHBondContact O-N 3.16Å
267	C	96.8	Very high	95.6	Very high	6 Å²	6	41.8 Å²	41.8	4%	0.041	20%	0.195	C	C	.	.	H	α-helix	trans	-64.5	-36.1	176.6	-72.3	0	0	0	0	112.7	L263 G269 F270 R271 N414	L263-C267 WeakPolarHBondContact O-CB 3.46Å; L263-C267 PolarHBondContact O-N 3.19Å; L263-C267 PolarHBondContact O-SG 2.94Å; L263-C267 VanDerWaalsContact O-SG 3.32Å; C267-G269 VanDerWaalsContact C-N 3.33Å; C267-F270 PolarHBondContact O-N 3.19Å; C267-R271 VanDerWaalsContact C-NH1 3.35Å; C267-R271 WeakPolarHBondContact O-CG 3.47Å; C267-R271 PolarHBondContact O-N 3.29Å; C267-R271 PolarHBondContact O-NH1 2.93Å; C267-N414 HydrophobicContact CB-CB 3.89Å; C267-N414 VanDerWaalsContact CB-CG 3.48Å; C267-N414 VanDerWaalsContact CB-OD1 3.25Å; C267-N414 WeakPolarHBondContact CB-OD1 3.01Å
268	F	96.9	Very high	95.7	Very high	47 Å²	47	35.4 Å²	35.4	21%	0.206	17%	0.166	C	C	.	.	H	α-helix	trans	-59.3	-44.9	170.2	174.7	-97.9	0	0	0	111.5	L233 W236 S264 I265 A266 R271 Q272 F311 E315	L233-F268 HydrophobicContact CD1-CE1 4.01Å; L233-F268 HydrophobicContact CD1-CZ 3.82Å; L233-F268 HydrophobicContact CD2-CE1 4.31Å; W236-F268 HydrophobicContact CZ3-CD1 4.12Å; W236-F268 HydrophobicContact CZ3-CE1 4.45Å; S264-F268 VanDerWaalsContact O-CB 3.26Å; S264-F268 WeakPolarHBondContact O-CB 3.1Å; S264-F268 PolarHBondContact O-N 3.11Å; I265-F268 WeakPolarHBondContact O-CB 3.4Å; I265-F268 PolarHBondContact O-N 3.17Å; A266-F268 VanDerWaalsContact C-N 3.34Å; A266-F268 PolarHBondContact O-N 3.05Å; F268-R271 PolarHBondContact O-N 3.17Å; F268-Q272 VanDerWaalsContact CZ-NE2 3.27Å; F268-Q272 WeakPolarHBondContact O-CG 3.39Å; F268-Q272 PolarHBondContact O-NE2 3.38Å; F268-F311 AromaticContact CE2-CE2 3.97Å; F268-F311 HydrophobicContact CE2-CE2 3.97Å; F268-F311 HydrophobicContact CE2-CZ 4.14Å; F268-F311 HydrophobicContact CZ-CE2 4.5Å; F268-F311 HydrophobicContact CZ-CZ 4.38Å; F268-E315 HydrophobicContact CD2-CG 4.4Å; F268-E315 HydrophobicContact CE2-CG 4.17Å
269	G	96.3	Very high	95.7	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-57.4	-52.2	172.5	0	0	0	0	0	112.4	S237 I265 A266 C267 R271 Q272	S237-G269 WeakPolarHBondContact CB-O 3.16Å; S237-G269 WeakPolarHBondContact OG-CA 3.3Å; S237-G269 PolarHBondContact OG-O 3.45Å; I265-G269 PolarHBondContact O-N 3Å; A266-G269 CarbonylContact O-C 3.59Å; A266-G269 WeakPolarHBondContact O-CA 3.43Å; A266-G269 PolarHBondContact O-N 3.28Å; A266-G269 VanDerWaalsContact O-N 3.12Å; C267-G269 VanDerWaalsContact C-N 3.33Å; G269-R271 PolarHBondContact O-N 2.7Å; G269-Q272 VanDerWaalsContact O-CB 3.29Å; G269-Q272 WeakPolarHBondContact O-CB 3.21Å; G269-Q272 VanDerWaalsContact O-CG 3.32Å; G269-Q272 WeakPolarHBondContact O-CG 3.27Å; G269-Q272 PolarHBondContact O-N 3.49Å
270	F	94.5	Very high	95.6	Very high	24 Å²	24	30.3 Å²	30.3	11%	0.105	14%	0.143	C	C	.	.	H	α-helix	trans	-61.5	-28.4	-179.4	-65.5	-52.5	0	0	0	113.7	F241 P243 F246 A266 C267 Q272 K273 L421	F241-F270 HydrophobicContact CB-CE1 3.88Å; F241-F270 HydrophobicContact CB-CE2 4.24Å; F241-F270 HydrophobicContact CB-CZ 3.6Å; P243-F270 HydrophobicContact CG-CE1 4.02Å; P243-F270 HydrophobicContact CG-CZ 4.12Å; F246-F270 HydrophobicContact CE2-CD2 4.36Å; F246-F270 AromaticContact CE2-CE2 3.65Å; F246-F270 HydrophobicContact CE2-CE2 3.65Å; F246-F270 HydrophobicContact CZ-CE2 4.23Å; A266-F270 HydrophobicContact CB-CD2 4.42Å; A266-F270 HydrophobicContact CB-CE2 3.94Å; A266-F270 WeakPolarHBondContact O-CD2 3.18Å; A266-F270 WeakPolarHBondContact O-CG 3.3Å; A266-F270 PolarHBondContact O-N 3.16Å; C267-F270 PolarHBondContact O-N 3.19Å; F270-Q272 VanDerWaalsContact C-N 3.31Å; F270-K273 WeakPolarHBondContact O-CG 3.43Å; F270-L421 HydrophobicContact CB-CD1 4.15Å; F270-L421 HydrophobicContact CB-CD2 4.12Å; F270-L421 HydrophobicContact CD2-CD1 3.26Å; F270-L421 HydrophobicContact CE2-CD1 3.74Å; F270-L421 HydrophobicContact CG-CD1 3.75Å; F270-L421 HydrophobicContact CG-CD2 4.16Å
271	R	95.1	Very high	95.5	Very high	29 Å²	29	27.8 Å²	27.8	11%	0.109	13%	0.131	C	C	.	.	H	α-helix	trans	-69.6	-25.5	173.8	-76.7	-170.6	-61.5	-83.3	10.4	113.3	C267 F268 G269 K273 F274 Y275 E315 W327 N414	C267-R271 VanDerWaalsContact C-NH1 3.35Å; C267-R271 WeakPolarHBondContact O-CG 3.47Å; C267-R271 PolarHBondContact O-N 3.29Å; C267-R271 PolarHBondContact O-NH1 2.93Å; F268-R271 PolarHBondContact O-N 3.17Å; G269-R271 PolarHBondContact O-N 2.7Å; R271-K273 PolarHBondContact O-N 3.25Å; R271-K273 VanDerWaalsContact O-N 3.11Å; R271-F274 WeakPolarHBondContact O-CB 3.39Å; R271-F274 PolarHBondContact O-N 3.45Å; R271-Y275 HydrophobicContact CB-CD2 4.42Å; R271-Y275 HydrophobicContact CB-CE1 4.47Å; R271-Y275 HydrophobicContact CB-CE2 3.94Å; R271-Y275 WeakPolarHBondContact CD-OH 3.22Å; R271-Y275 PolarHBondContact NE-OH 2.96Å; R271-Y275 PolarHBondContact O-N 2.99Å; R271-Y275 VanDerWaalsContact O-N 3.09Å; R271-E315 IonicContact CZ-OE1 2.93Å; R271-E315 IonicContact CZ-OE2 2.84Å; R271-E315 IonicContact NE-OE1 3.15Å; R271-E315 PolarHBondContact NE-OE1 3.32Å; R271-E315 IonicContact NH2-OE1 3.23Å; R271-E315 PolarHBondContact NH2-OE1 3.05Å; R271-E315 VanDerWaalsContact NH2-OE1 3.15Å; R271-E315 IonicContact NH2-OE2 3.47Å; R271-E315 PolarHBondContact NH2-OE2 2.69Å; R271-W327 HydrophobicContact CB-CH2 4.43Å; R271-W327 HydrophobicContact CB-CZ3 4.2Å; R271-W327 HydrophobicContact CG-CH2 4.03Å; R271-W327 HydrophobicContact CG-CZ3 3.85Å; R271-N414 PolarHBondContact NH1-OD1 3.39Å
272	Q	95.7	Very high	95.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.1	-30.2	-174.1	-59.1	-52.9	-49.4	0	0	113.2	H230 L233 L234 F268 G269 F270 F274 Y275 F276	H230-Q272 PolarHBondContact ND1-OE1 2.84Å; L233-Q272 HydrophobicContact CB-CG 3.74Å; L234-Q272 HydrophobicContact CB-CB 4.12Å; L234-Q272 HydrophobicContact CD1-CB 4.29Å; F268-Q272 VanDerWaalsContact CZ-NE2 3.27Å; F268-Q272 WeakPolarHBondContact O-CG 3.39Å; F268-Q272 PolarHBondContact O-NE2 3.38Å; G269-Q272 VanDerWaalsContact O-CB 3.29Å; G269-Q272 WeakPolarHBondContact O-CB 3.21Å; G269-Q272 VanDerWaalsContact O-CG 3.32Å; G269-Q272 WeakPolarHBondContact O-CG 3.27Å; G269-Q272 PolarHBondContact O-N 3.49Å; F270-Q272 VanDerWaalsContact C-N 3.31Å; Q272-F274 VanDerWaalsContact C-N 3.28Å; Q272-F274 PolarHBondContact O-N 3.48Å; Q272-Y275 PolarHBondContact O-N 3.44Å; Q272-F276 WeakPolarHBondContact O-CB 3.4Å; Q272-F276 PolarHBondContact O-N 3.11Å
273	K	91.6	Very high	95.6	Very high	96 Å²	96	22 Å²	22	42%	0.417	11%	0.105	S	C	.	.	H	α-helix	trans	-61.5	-38.5	175.7	72.3	-172.5	178.8	173.6	0	112.1	L234 F270 R271 A277	L234-K273 HydrophobicContact CD1-CB 3.79Å; F270-K273 WeakPolarHBondContact O-CG 3.43Å; R271-K273 PolarHBondContact O-N 3.25Å; R271-K273 VanDerWaalsContact O-N 3.11Å; K273-A277 WeakPolarHBondContact O-CB 3.41Å; K273-A277 PolarHBondContact O-N 3.37Å; K273-A277 VanDerWaalsContact O-N 3.15Å
274	F	93.1	Very high	95.5	Very high	77 Å²	77	22 Å²	22	34%	0.338	11%	0.105	S	C	.	.	H	α-helix	trans	-75.6	-43.1	177.6	-60.9	-79.1	0	0	0	111.1	R271 Q272 F276 A277 W278 W327	R271-F274 WeakPolarHBondContact O-CB 3.39Å; R271-F274 PolarHBondContact O-N 3.45Å; Q272-F274 VanDerWaalsContact C-N 3.28Å; Q272-F274 PolarHBondContact O-N 3.48Å; F274-F276 PolarHBondContact O-N 2.92Å; F274-A277 PolarHBondContact O-N 3.42Å; F274-W278 HydrophobicContact CB-CE3 3.89Å; F274-W278 HydrophobicContact CB-CH2 4.35Å; F274-W278 HydrophobicContact CB-CZ3 3.83Å; F274-W278 HydrophobicContact CD1-CH2 4.23Å; F274-W278 HydrophobicContact CD1-CZ2 4.4Å; F274-W278 HydrophobicContact CG-CZ3 4.5Å; F274-W278 WeakPolarHBondContact O-CB 3.49Å; F274-W278 PolarHBondContact O-N 3.26Å; F274-W327 HydrophobicContact CB-CH2 3.58Å; F274-W327 HydrophobicContact CB-CZ2 4.13Å; F274-W327 HydrophobicContact CB-CZ3 4.36Å; F274-W327 HydrophobicContact CD1-CZ2 4.4Å; F274-W327 AromaticContact CD2-CH2 3.62Å; F274-W327 HydrophobicContact CD2-CH2 3.62Å; F274-W327 HydrophobicContact CD2-CZ2 4.04Å; F274-W327 HydrophobicContact CE2-CH2 4.4Å; F274-W327 AromaticContact CG-CH2 3.69Å; F274-W327 HydrophobicContact CG-CH2 3.69Å; F274-W327 AromaticContact CG-CZ2 3.95Å; F274-W327 HydrophobicContact CG-CZ2 3.95Å
275	Y	96.4	Very high	95.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-59.5	-46.8	175.8	-64.1	-20.2	0	0	0	111.8	H230 R271 Q272 T279 I309 F311 I314 E315 W327	H230-Y275 AromaticContact CE1-CD2 3.65Å; H230-Y275 AromaticContact CE1-CG 3.95Å; H230-Y275 AromaticContact ND1-CD2 3.79Å; R271-Y275 HydrophobicContact CB-CD2 4.42Å; R271-Y275 HydrophobicContact CB-CE1 4.47Å; R271-Y275 HydrophobicContact CB-CE2 3.94Å; R271-Y275 WeakPolarHBondContact CD-OH 3.22Å; R271-Y275 PolarHBondContact NE-OH 2.96Å; R271-Y275 PolarHBondContact O-N 2.99Å; R271-Y275 VanDerWaalsContact O-N 3.09Å; Q272-Y275 PolarHBondContact O-N 3.44Å; Y275-T279 WeakPolarHBondContact O-CB 3.39Å; Y275-T279 PolarHBondContact O-N 3.32Å; Y275-T279 PolarHBondContact O-OG1 2.9Å; Y275-I309 HydrophobicContact CD1-CD1 3.84Å; Y275-I309 HydrophobicContact CD1-CG2 4.35Å; Y275-I309 HydrophobicContact CG-CD1 4.29Å; Y275-F311 AromaticContact CD2-CD2 3.91Å; Y275-F311 HydrophobicContact CD2-CD2 3.91Å; Y275-F311 HydrophobicContact CD2-CE2 4.02Å; Y275-F311 AromaticContact CE2-CD2 3.66Å; Y275-F311 HydrophobicContact CE2-CD2 3.66Å; Y275-F311 AromaticContact CE2-CE2 3.71Å; Y275-F311 HydrophobicContact CE2-CE2 3.71Å; Y275-I314 HydrophobicContact CE1-CD1 3.81Å; Y275-I314 WeakPolarHBondContact OH-CG2 3.33Å; Y275-E315 WeakPolarHBondContact CE2-OE1 3.45Å; Y275-E315 PolarHBondContact OH-OE1 2.89Å; Y275-W327 HydrophobicContact CD1-CZ3 4.08Å; Y275-W327 AromaticContact CE1-CE3 3.8Å; Y275-W327 HydrophobicContact CE1-CE3 3.8Å; Y275-W327 AromaticContact CE1-CZ3 3.42Å; Y275-W327 HydrophobicContact CE1-CZ3 3.42Å; Y275-W327 VanDerWaalsContact CE1-CZ3 3.42Å
276	F	95	Very high	95.6	Very high	39 Å²	39	16.8 Å²	16.8	17%	0.171	8%	0.075	C	C	.	.	H	α-helix	trans	-58.4	-54.7	176.9	178.5	-95.3	0	0	0	111.2	L18 L227 H230 L234 Q272 F274 W278 T279 L280	L18-F276 HydrophobicContact CD1-CE1 3.8Å; L18-F276 HydrophobicContact CD1-CZ 3.92Å; L227-F276 HydrophobicContact CD1-CD2 3.68Å; L227-F276 HydrophobicContact CD1-CE2 3.55Å; L227-F276 HydrophobicContact CD1-CG 4.37Å; L227-F276 HydrophobicContact CD1-CZ 4.12Å; L227-F276 HydrophobicContact CG-CE2 4.25Å; H230-F276 HydrophobicContact CB-CB 4.1Å; L234-F276 HydrophobicContact CD2-CB 3.97Å; L234-F276 HydrophobicContact CD2-CD1 4.01Å; L234-F276 HydrophobicContact CD2-CD2 4.5Å; L234-F276 HydrophobicContact CD2-CG 3.89Å; Q272-F276 WeakPolarHBondContact O-CB 3.4Å; Q272-F276 PolarHBondContact O-N 3.11Å; F274-F276 PolarHBondContact O-N 2.92Å; F276-W278 PolarHBondContact O-N 2.97Å; F276-T279 PolarHBondContact O-N 3.4Å; F276-L280 HydrophobicContact CE1-CD2 4.26Å; F276-L280 HydrophobicContact CZ-CD2 4.5Å; F276-L280 WeakPolarHBondContact O-CB 3.44Å; F276-L280 PolarHBondContact O-N 3.38Å
277	A	93	Very high	95.6	Very high	8 Å²	8	17.8 Å²	17.8	7%	0.066	8%	0.081	C	C	.	.	H	α-helix	trans	-69.6	-37.5	-172.5	0	0	0	0	0	113.1	F17 I176 K273 F274 S281	F17-A277 HydrophobicContact CE1-CB 4.35Å; I176-A277 HydrophobicContact CD1-CB 3.23Å; K273-A277 WeakPolarHBondContact O-CB 3.41Å; K273-A277 PolarHBondContact O-N 3.37Å; K273-A277 VanDerWaalsContact O-N 3.15Å; F274-A277 PolarHBondContact O-N 3.42Å; A277-S281 PolarHBondContact O-N 3.11Å
278	W	95.4	Very high	95.5	Very high	16 Å²	16	17.6 Å²	17.6	6%	0.061	8%	0.08	C	C	.	.	H	α-helix	trans	-74.9	-30.1	174.4	-71.6	-31.8	0	0	0	113.6	I176 F274 F276 C282 N308 I309 W327 N328	I176-W278 PolarHBondContact O-NE1 2.87Å; F274-W278 HydrophobicContact CB-CE3 3.89Å; F274-W278 HydrophobicContact CB-CH2 4.35Å; F274-W278 HydrophobicContact CB-CZ3 3.83Å; F274-W278 HydrophobicContact CD1-CH2 4.23Å; F274-W278 HydrophobicContact CD1-CZ2 4.4Å; F274-W278 HydrophobicContact CG-CZ3 4.5Å; F274-W278 WeakPolarHBondContact O-CB 3.49Å; F274-W278 PolarHBondContact O-N 3.26Å; F276-W278 PolarHBondContact O-N 2.97Å; W278-C282 WeakPolarHBondContact O-CB 3.41Å; W278-C282 PolarHBondContact O-N 3.02Å; W278-N308 HydrophobicContact CB-CB 4.15Å; W278-N308 HydrophobicContact CD2-CB 4.41Å; W278-N308 HydrophobicContact CG-CB 4.08Å; W278-N308 PolarHBondContact NE1-ND2 2.62Å; W278-N308 VanDerWaalsContact NE1-ND2 3.17Å; W278-I309 HydrophobicContact CB-CG1 4.34Å; W278-I309 HydrophobicContact CD2-CG2 4.23Å; W278-I309 HydrophobicContact CE3-CG2 3.23Å; W278-I309 HydrophobicContact CZ3-CG2 3.64Å; W278-W327 HydrophobicContact CH2-CD2 4.49Å; W278-W327 AromaticContact CH2-CE2 3.77Å; W278-W327 AromaticContact CH2-CZ2 3.79Å; W278-W327 HydrophobicContact CH2-CZ2 3.79Å; W278-W327 AromaticContact CH2-NE1 3.88Å; W278-W327 HydrophobicContact CZ3-CD2 4.03Å; W278-W327 AromaticContact CZ3-CE2 3.68Å; W278-W327 HydrophobicContact CZ3-CE3 4.33Å; W278-W327 HydrophobicContact CZ3-CH2 4Å; W278-W327 AromaticContact CZ3-CZ2 3.68Å; W278-W327 HydrophobicContact CZ3-CZ2 3.68Å; W278-W327 HydrophobicContact CZ3-CZ3 4.32Å; W278-N328 HydrophobicContact CH2-CB 3.51Å; W278-N328 HydrophobicContact CZ2-CB 3.96Å; W278-N328 HydrophobicContact CZ3-CB 4.1Å
279	T	96.4	Very high	95.5	Very high	1 Å²	1	16 Å²	16	1%	0.006	8%	0.077	C	C	.	.	H	α-helix	trans	-67.8	-41.7	171.7	-60	0	0	0	0	110.7	Q223 L226 L227 Y275 F276 C282 L283	Q223-T279 HydrophobicContact CB-CG2 4.38Å; Q223-T279 VanDerWaalsContact O-CG2 3.28Å; Q223-T279 WeakPolarHBondContact O-CG2 3.22Å; L226-T279 HydrophobicContact CB-CG2 3.99Å; L227-T279 HydrophobicContact CB-CG2 3.88Å; L227-T279 HydrophobicContact CD1-CG2 4.43Å; Y275-T279 WeakPolarHBondContact O-CB 3.39Å; Y275-T279 PolarHBondContact O-N 3.32Å; Y275-T279 PolarHBondContact O-OG1 2.9Å; F276-T279 PolarHBondContact O-N 3.4Å; T279-C282 WeakPolarHBondContact O-CB 3.35Å; T279-C282 PolarHBondContact O-N 2.96Å; T279-L283 PolarHBondContact O-N 2.95Å
280	L	95.1	Very high	95.5	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-60.6	-47.5	175.6	-178	53	0	0	0	111	L18 Q21 L22 L25 L227 F276 C282 L283 S284	L18-L280 HydrophobicContact CD1-CD2 4.24Å; Q21-L280 HydrophobicContact CB-CD2 3.46Å; Q21-L280 VanDerWaalsContact CB-CD2 3.46Å; Q21-L280 HydrophobicContact CB-CG 4.11Å; Q21-L280 HydrophobicContact CG-CD2 4.3Å; L22-L280 HydrophobicContact CD2-CD1 4.44Å; L25-L280 HydrophobicContact CD1-CD1 4Å; L25-L280 HydrophobicContact CG-CD1 4.48Å; L227-L280 HydrophobicContact CD1-CB 3.8Å; L227-L280 HydrophobicContact CD1-CD1 4.43Å; L227-L280 HydrophobicContact CD2-CD1 3.94Å; F276-L280 HydrophobicContact CE1-CD2 4.26Å; F276-L280 HydrophobicContact CZ-CD2 4.5Å; F276-L280 WeakPolarHBondContact O-CB 3.44Å; F276-L280 PolarHBondContact O-N 3.38Å; L280-C282 PolarHBondContact O-N 3.36Å; L280-L283 WeakPolarHBondContact O-CB 3.33Å; L280-L283 PolarHBondContact O-N 3.44Å; L280-S284 PolarHBondContact O-N 2.94Å; L280-S284 PolarHBondContact O-OG 3.14Å
281	S	95	Very high	95.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.4	-42.8	174.7	172.7	0	0	0	0	112.7	H172 G177 P178 A277 L283 S284 N285	H172-S281 PolarHBondContact O-OG 3.05Å; H172-S281 VanDerWaalsContact O-OG 3.08Å; G177-S281 VanDerWaalsContact O-CB 3.27Å; G177-S281 WeakPolarHBondContact O-CB 3.48Å; G177-S281 PolarHBondContact O-OG 3.35Å; P178-S281 WeakPolarHBondContact CD-OG 3.49Å; A277-S281 PolarHBondContact O-N 3.11Å; S281-L283 VanDerWaalsContact C-N 3.27Å; S281-L283 PolarHBondContact O-N 3.31Å; S281-S284 WeakPolarHBondContact O-CB 3.37Å; S281-S284 PolarHBondContact O-N 3.29Å; S281-S284 VanDerWaalsContact O-N 3.09Å; S281-N285 PolarHBondContact O-N 3.47Å; S281-N285 PolarHBondContact O-ND2 2.74Å; S281-N285 PolarHBondContact OG-ND2 3.1Å
282	C	96.8	Very high	95.6	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.014	7%	0.07	C	C	.	.	H	α-helix	trans	-55.3	-46.6	175	-177.2	0	0	0	0	110.9	W278 T279 L280 S284 N285 L286 A306	W278-C282 WeakPolarHBondContact O-CB 3.41Å; W278-C282 PolarHBondContact O-N 3.02Å; T279-C282 WeakPolarHBondContact O-CB 3.35Å; T279-C282 PolarHBondContact O-N 2.96Å; L280-C282 PolarHBondContact O-N 3.36Å; C282-S284 PolarHBondContact O-N 3.48Å; C282-N285 PolarHBondContact O-N 2.9Å; C282-L286 VanDerWaalsContact O-CG 3.27Å; C282-L286 WeakPolarHBondContact O-CG 3.37Å; C282-L286 PolarHBondContact O-N 3.31Å; C282-A306 WeakPolarHBondContact CA-O 3.47Å; C282-A306 VanDerWaalsContact CB-O 3.3Å; C282-A306 WeakPolarHBondContact CB-O 3.32Å; C282-A306 PolarHBondContact SG-O 3.14Å
283	L	96.7	Very high	95.6	Very high	4 Å²	4	15.6 Å²	15.6	2%	0.021	8%	0.08	C	C	.	.	H	α-helix	trans	-60.6	-42.5	176.1	-176.3	65.1	0	0	0	112.1	L25 K220 Q223 M224 L227 T279 L280 S281 N285 L286 V287	L25-L283 HydrophobicContact CD1-CD2 4.48Å; L25-L283 HydrophobicContact CD2-CB 4.22Å; L25-L283 HydrophobicContact CD2-CD2 3.85Å; L25-L283 HydrophobicContact CD2-CG 3.68Å; K220-L283 HydrophobicContact CB-CD1 4.08Å; K220-L283 HydrophobicContact CG-CD1 4.09Å; Q223-L283 HydrophobicContact CB-CD1 4.46Å; M224-L283 HydrophobicContact CE-CD1 4.45Å; M224-L283 HydrophobicContact CE-CD2 3.53Å; M224-L283 HydrophobicContact SD-CD2 4.19Å; L227-L283 HydrophobicContact CD2-CD2 4.09Å; T279-L283 PolarHBondContact O-N 2.95Å; L280-L283 WeakPolarHBondContact O-CB 3.33Å; L280-L283 PolarHBondContact O-N 3.44Å; S281-L283 VanDerWaalsContact C-N 3.27Å; S281-L283 PolarHBondContact O-N 3.31Å; L283-N285 PolarHBondContact O-N 3.38Å; L283-L286 PolarHBondContact O-N 2.98Å; L283-V287 HydrophobicContact CD1-CG2 4.32Å; L283-V287 HydrophobicContact CG-CG2 4.38Å; L283-V287 WeakPolarHBondContact O-CB 3.4Å; L283-V287 VanDerWaalsContact O-CG2 3.24Å; L283-V287 WeakPolarHBondContact O-CG2 3.13Å; L283-V287 PolarHBondContact O-N 3.08Å
284	S	96.2	Very high	95.8	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-61.3	-42.9	176.8	-59.7	0	0	0	0	113.4	T24 L25 L280 S281 C282 V287 A288	T24-S284 WeakPolarHBondContact OG1-CB 3.24Å; T24-S284 PolarHBondContact OG1-OG 3.44Å; L25-S284 WeakPolarHBondContact CD2-OG 3.34Å; L280-S284 PolarHBondContact O-N 2.94Å; L280-S284 PolarHBondContact O-OG 3.14Å; S281-S284 WeakPolarHBondContact O-CB 3.37Å; S281-S284 PolarHBondContact O-N 3.29Å; S281-S284 VanDerWaalsContact O-N 3.09Å; C282-S284 PolarHBondContact O-N 3.48Å; S284-V287 PolarHBondContact O-N 3.41Å; S284-A288 WeakPolarHBondContact O-CB 3.23Å; S284-A288 PolarHBondContact O-N 3.31Å
285	N	97.1	Very high	95.9	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-59.4	-50.8	172.9	-79.4	-95	0	0	0	110.9	H172 N173 S281 C282 L283 V287 A288 G289 F290 A306	H172-N285 PolarHBondContact CE1-OD1 3.32Å; H172-N285 VanDerWaalsContact CE1-OD1 3.29Å; H172-N285 PolarHBondContact ND1-OD1 2.85Å; H172-N285 PolarHBondContact O-ND2 2.77Å; N173-N285 PolarHBondContact ND2-OD1 2.82Å; N173-N285 VanDerWaalsContact OD1-CG 3.24Å; N173-N285 PolarHBondContact OD1-ND2 2.69Å; N173-N285 PolarHBondContact OD1-OD1 3.2Å; S281-N285 PolarHBondContact O-N 3.47Å; S281-N285 PolarHBondContact O-ND2 2.74Å; S281-N285 PolarHBondContact OG-ND2 3.1Å; C282-N285 PolarHBondContact O-N 2.9Å; L283-N285 PolarHBondContact O-N 3.38Å; N285-V287 VanDerWaalsContact C-N 3.31Å; N285-V287 PolarHBondContact O-N 3.31Å; N285-A288 WeakPolarHBondContact O-CB 3.42Å; N285-A288 PolarHBondContact O-N 3.08Å; N285-A288 VanDerWaalsContact O-N 3.15Å; N285-G289 PolarHBondContact O-N 2.98Å; N285-G289 VanDerWaalsContact O-N 3.1Å; N285-F290 CarbonylContact C-O 3.6Å; N285-F290 HydrophobicContact CB-CB 4.34Å; N285-F290 HydrophobicContact CB-CD1 4.09Å; N285-F290 PolarHBondContact O-N 3.21Å; N285-F290 VanDerWaalsContact O-O 3.06Å; N285-F290 WeakPolarHBondContact OD1-CD1 3.27Å; N285-A306 HydrophobicContact CB-CB 3.61Å
286	L	97.2	Very high	95.8	Very high	2 Å²	2	10.9 Å²	10.9	1%	0.01	6%	0.063	C	C	.	.	H	α-helix	trans	-62.9	-35.9	-179.6	-67.7	174.1	0	0	0	113	A216 E219 K220 Q223 C282 L283 G289 F290 Y303 A306	A216-L286 HydrophobicContact CB-CD2 3.92Å; E219-L286 HydrophobicContact CB-CD1 4.3Å; E219-L286 HydrophobicContact CG-CD1 3.66Å; E219-L286 HydrophobicContact CG-CD2 4.39Å; K220-L286 HydrophobicContact CD-CB 4.13Å; K220-L286 HydrophobicContact CG-CB 3.63Å; K220-L286 HydrophobicContact CG-CD1 4.06Å; K220-L286 HydrophobicContact CG-CG 4.48Å; Q223-L286 HydrophobicContact CG-CD1 3.89Å; C282-L286 VanDerWaalsContact O-CG 3.27Å; C282-L286 WeakPolarHBondContact O-CG 3.37Å; C282-L286 PolarHBondContact O-N 3.31Å; L283-L286 PolarHBondContact O-N 2.98Å; L286-G289 PolarHBondContact O-N 3.32Å; L286-F290 WeakPolarHBondContact CA-O 3.25Å; L286-F290 PolarHBondContact N-O 3.25Å; L286-Y303 HydrophobicContact CD2-CD1 3.71Å; L286-Y303 HydrophobicContact CD2-CG 3.89Å; L286-A306 HydrophobicContact CD2-CB 4.22Å; L286-A306 HydrophobicContact CG-CB 4.29Å
287	V	96.6	Very high	95.7	Very high	21 Å²	21	17.6 Å²	17.6	13%	0.127	10%	0.101	C	C	.	.	H	α-helix	trans	-66.4	-41.7	175.5	167.4	0	0	0	0	110.8	L25 C29 R32 K220 L283 S284 N285 G289	L25-V287 HydrophobicContact CD2-CG2 4.12Å; L25-V287 WeakPolarHBondContact O-CG1 3.31Å; C29-V287 HydrophobicContact CB-CG1 4.4Å; C29-V287 WeakPolarHBondContact SG-CG1 3.36Å; R32-V287 VanDerWaalsContact CD-O 3.3Å; R32-V287 WeakPolarHBondContact CD-O 3.49Å; K220-V287 HydrophobicContact CD-CG2 3.99Å; L283-V287 HydrophobicContact CD1-CG2 4.32Å; L283-V287 HydrophobicContact CG-CG2 4.38Å; L283-V287 WeakPolarHBondContact O-CB 3.4Å; L283-V287 VanDerWaalsContact O-CG2 3.24Å; L283-V287 WeakPolarHBondContact O-CG2 3.13Å; L283-V287 PolarHBondContact O-N 3.08Å; S284-V287 PolarHBondContact O-N 3.41Å; N285-V287 VanDerWaalsContact C-N 3.31Å; N285-V287 PolarHBondContact O-N 3.31Å; V287-G289 PolarHBondContact O-N 3.08Å
288	A	95.9	Very high	95.7	Very high	2 Å²	2	25.4 Å²	25.4	2%	0.017	13%	0.133	C	C	.	.	H	α-helix	trans	-65.6	-16.6	173.8	0	0	0	0	0	113.5	F171 F188 S284 N285	F171-A288 HydrophobicContact CZ-CB 4.04Å; F188-A288 WeakPolarHBondContact CE2-O 3.19Å; F188-A288 HydrophobicContact CZ-CB 4.15Å; S284-A288 WeakPolarHBondContact O-CB 3.23Å; S284-A288 PolarHBondContact O-N 3.31Å; N285-A288 WeakPolarHBondContact O-CB 3.42Å; N285-A288 PolarHBondContact O-N 3.08Å; N285-A288 VanDerWaalsContact O-N 3.15Å
289	G	95.7	Very high	95.5	Very high	13 Å²	13	25.5 Å²	25.5	13%	0.134	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	96	8.1	-176.6	0	0	0	0	0	113.7	N285 L286 V287	N285-G289 PolarHBondContact O-N 2.98Å; N285-G289 VanDerWaalsContact O-N 3.1Å; L286-G289 PolarHBondContact O-N 3.32Å; V287-G289 PolarHBondContact O-N 3.08Å
290	F	96.3	Very high	95.4	Very high	7 Å²	7	30.3 Å²	30.3	3%	0.031	16%	0.162	C	C	.	.			trans	-93.5	137	176.4	-173.9	-105	0	0	0	111.3	D184 F188 N285 L286 L305	D184-F290 HydrophobicContact CB-CE2 4.22Å; D184-F290 HydrophobicContact CB-CZ 4.2Å; F188-F290 HydrophobicContact CB-CD2 3.58Å; F188-F290 HydrophobicContact CB-CE2 4.03Å; F188-F290 HydrophobicContact CD1-CD2 4.16Å; F188-F290 HydrophobicContact CD2-CB 3.86Å; F188-F290 AromaticContact CD2-CD2 3.97Å; F188-F290 HydrophobicContact CD2-CD2 3.97Å; F188-F290 HydrophobicContact CD2-CG 4.42Å; F188-F290 HydrophobicContact CE2-CB 3.87Å; F188-F290 HydrophobicContact CG-CB 4.22Å; F188-F290 AromaticContact CG-CD2 3.62Å; F188-F290 HydrophobicContact CG-CD2 3.62Å; F188-F290 HydrophobicContact CG-CE2 4.47Å; F188-F290 HydrophobicContact CG-CG 4.35Å; F188-F290 HydrophobicContact CZ-CB 4.23Å; N285-F290 CarbonylContact C-O 3.6Å; N285-F290 HydrophobicContact CB-CB 4.34Å; N285-F290 HydrophobicContact CB-CD1 4.09Å; N285-F290 PolarHBondContact O-N 3.21Å; N285-F290 VanDerWaalsContact O-O 3.06Å; N285-F290 WeakPolarHBondContact OD1-CD1 3.27Å; L286-F290 WeakPolarHBondContact CA-O 3.25Å; L286-F290 PolarHBondContact N-O 3.25Å; F290-L305 HydrophobicContact CE1-CB 3.76Å; F290-L305 HydrophobicContact CE2-CD1 4.11Å; F290-L305 HydrophobicContact CZ-CB 3.75Å; F290-L305 HydrophobicContact CZ-CD1 4.01Å; F290-L305 HydrophobicContact CZ-CG 4.49Å
291	G	96	Very high	95.5	Very high	2 Å²	2	32.5 Å²	32.5	2%	0.021	18%	0.176	C	C	.	.			trans	152.9	-28.5	169.3	0	0	0	0	0	115	S293 Y303 R304 L305	G291-S293 PolarHBondContact O-N 2.99Å; G291-Y303 CarbonylContact O-C 3.3Å; G291-Y303 WeakPolarHBondContact O-CA 3.42Å; G291-R304 PolarHBondContact O-N 3.09Å; G291-L305 WeakPolarHBondContact O-CB 3.1Å; G291-L305 PolarHBondContact O-N 3.05Å; G291-L305 VanDerWaalsContact O-N 3.1Å
292	F	97.2	Very high	95.5	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.018	19%	0.186	C	C	.	.			trans	-59.8	129	-174.7	176.2	-105.7	0	0	0	112.2	E193 Q196 L197 F206 I213 L214 G294 F295 P301 E302 Y303 L305	E193-F292 HydrophobicContact CB-CD1 4.29Å; Q196-F292 PolarHBondContact NE2-O 2.83Å; L197-F292 HydrophobicContact CD1-CE1 4.19Å; L197-F292 HydrophobicContact CD1-CZ 4.34Å; L197-F292 HydrophobicContact CD2-CE1 4.07Å; L197-F292 HydrophobicContact CD2-CZ 4.18Å; L197-F292 HydrophobicContact CG-CE1 4.45Å; F206-F292 AromaticContact CD2-CD1 3.9Å; F206-F292 HydrophobicContact CD2-CD1 3.9Å; F206-F292 AromaticContact CD2-CE1 3.43Å; F206-F292 HydrophobicContact CD2-CE1 3.43Å; F206-F292 VanDerWaalsContact CD2-CE1 3.43Å; F206-F292 HydrophobicContact CD2-CE2 4.4Å; F206-F292 AromaticContact CD2-CZ 3.71Å; F206-F292 HydrophobicContact CD2-CZ 3.71Å; F206-F292 AromaticContact CE2-CD1 3.74Å; F206-F292 HydrophobicContact CE2-CD1 3.74Å; F206-F292 AromaticContact CE2-CE1 3.77Å; F206-F292 HydrophobicContact CE2-CE1 3.77Å; F206-F292 HydrophobicContact CE2-CG 4.31Å; F206-F292 HydrophobicContact CE2-CZ 4.37Å; F206-F292 HydrophobicContact CG-CE1 4.34Å; I213-F292 HydrophobicContact CG2-CB 4.38Å; I213-F292 HydrophobicContact CG2-CD2 3.37Å; I213-F292 HydrophobicContact CG2-CE2 3.67Å; I213-F292 HydrophobicContact CG2-CG 3.86Å; I213-F292 HydrophobicContact CG2-CZ 4.39Å; L214-F292 HydrophobicContact CD2-CB 4.46Å; F292-G294 WeakPolarHBondContact CE2-O 3.23Å; F292-G294 VanDerWaalsContact CZ-CA 3.48Å; F292-F295 HydrophobicContact CE2-CE1 4.33Å; F292-F295 HydrophobicContact CE2-CE2 4.32Å; F292-F295 HydrophobicContact CE2-CZ 4.17Å; F292-F295 HydrophobicContact CZ-CD2 4.22Å; F292-F295 AromaticContact CZ-CE2 3.77Å; F292-F295 HydrophobicContact CZ-CE2 3.77Å; F292-F295 AromaticContact CZ-CZ 3.95Å; F292-F295 HydrophobicContact CZ-CZ 3.95Å; F292-P301 HydrophobicContact CD2-CB 4.1Å; F292-P301 HydrophobicContact CE2-CB 3.92Å; F292-E302 CarbonylContact C-O 3.44Å; F292-E302 WeakPolarHBondContact CA-O 3.38Å; F292-Y303 HydrophobicContact CB-CD1 4.39Å; F292-Y303 HydrophobicContact CB-CE1 4.38Å; F292-L305 WeakPolarHBondContact O-CD1 3.23Å
293	S	95.1	Very high	95.5	Very high	31 Å²	31	35.7 Å²	35.7	22%	0.217	19%	0.19	C	C	.	.			trans	-125.4	5	-175.8	61.3	0	0	0	0	114.4	G291 E302 R304	G291-S293 PolarHBondContact O-N 2.99Å; S293-E302 PolarHBondContact N-O 3.34Å; S293-E302 PolarHBondContact OG-O 3.02Å; S293-R304 WeakPolarHBondContact OG-CB 3.46Å; S293-R304 WeakPolarHBondContact OG-CG 3.35Å; S293-R304 PolarHBondContact OG-N 3.28Å; S293-R304 VanDerWaalsContact OG-N 3.14Å
294	G	95.8	Very high	95.5	Very high	6 Å²	6	41.9 Å²	41.9	6%	0.062	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	120.3	-162.8	-173.1	0	0	0	0	0	113.6	F292 E302	F292-G294 WeakPolarHBondContact CE2-O 3.23Å; F292-G294 VanDerWaalsContact CZ-CA 3.48Å; G294-E302 PolarHBondContact O-N 2.91Å
295	F	95.8	Very high	95.4	Very high	26 Å²	26	42.9 Å²	42.9	11%	0.114	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	147.5	-177.4	-60.1	-86.1	0	0	0	111.2	L197 D202 R205 F206 I213 F292 G299 E300 P301	L197-F295 HydrophobicContact CD1-CE2 4.18Å; D202-F295 HydrophobicContact CB-CD2 3.72Å; D202-F295 HydrophobicContact CB-CE2 3.94Å; D202-F295 WeakPolarHBondContact O-CE2 3.34Å; R205-F295 HydrophobicContact CB-CE2 4.38Å; R205-F295 HydrophobicContact CB-CZ 4.18Å; R205-F295 VanDerWaalsContact CD-CE1 3.46Å; R205-F295 HydrophobicContact CG-CE1 3.93Å; R205-F295 HydrophobicContact CG-CE2 4.31Å; R205-F295 HydrophobicContact CG-CZ 3.71Å; F206-F295 HydrophobicContact CB-CE2 4.31Å; F206-F295 HydrophobicContact CB-CZ 4.24Å; I213-F295 HydrophobicContact CD1-CE1 3.92Å; I213-F295 HydrophobicContact CD1-CZ 3.69Å; F292-F295 HydrophobicContact CE2-CE1 4.33Å; F292-F295 HydrophobicContact CE2-CE2 4.32Å; F292-F295 HydrophobicContact CE2-CZ 4.17Å; F292-F295 HydrophobicContact CZ-CD2 4.22Å; F292-F295 AromaticContact CZ-CE2 3.77Å; F292-F295 HydrophobicContact CZ-CE2 3.77Å; F292-F295 AromaticContact CZ-CZ 3.95Å; F292-F295 HydrophobicContact CZ-CZ 3.95Å; F295-G299 VanDerWaalsContact CD1-O 3.31Å; F295-G299 WeakPolarHBondContact CD1-O 3.43Å; F295-E300 VanDerWaalsContact CA-O 3.3Å; F295-E300 WeakPolarHBondContact CA-O 3.46Å; F295-P301 HydrophobicContact CD1-CB 4.31Å; F295-P301 HydrophobicContact CE1-CB 4.18Å
296	N	93.8	Very high	95.4	Very high	42 Å²	42	42.9 Å²	42.9	23%	0.225	22%	0.218	C	C	.	.			trans	-78.9	177.8	171.6	71.6	15.6	0	0	0	111.3	K298 G299 E300 E302	N296-K298 PolarHBondContact O-N 3.02Å; N296-K298 VanDerWaalsContact OD1-CA 3.32Å; N296-K298 WeakPolarHBondContact OD1-CA 3.49Å; N296-K298 WeakPolarHBondContact OD1-CB 3.34Å; N296-K298 PolarHBondContact OD1-N 2.92Å; N296-G299 PolarHBondContact O-N 3.21Å; N296-G299 PolarHBondContact OD1-N 3.38Å; N296-G299 VanDerWaalsContact OD1-N 3.15Å; N296-E300 PolarHBondContact N-O 2.86Å; N296-E300 PolarHBondContact ND2-OE2 3.32Å; N296-E300 PolarHBondContact OD1-N 3.36Å; N296-E302 HydrophobicContact CB-CG 3.88Å
297	N	91.8	Very high	95.3	Very high	181 Å²	181	43.1 Å²	43.1	97%	0.968	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-14.2	178.8	-62.2	-9.5	0	0	0	114.4
298	K	93.2	Very high	95.3	Very high	172 Å²	172	42.3 Å²	42.3	75%	0.748	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-0.1	175.1	-58.2	-178.6	179	-178.5	0	112.7	N296 E300	N296-K298 PolarHBondContact O-N 3.02Å; N296-K298 VanDerWaalsContact OD1-CA 3.32Å; N296-K298 WeakPolarHBondContact OD1-CA 3.49Å; N296-K298 WeakPolarHBondContact OD1-CB 3.34Å; N296-K298 PolarHBondContact OD1-N 2.92Å; K298-E300 VanDerWaalsContact C-N 3.32Å; K298-E300 HydrophobicContact CB-CG 4.19Å
299	G	91.9	Very high	95.3	Very high	18 Å²	18	42.7 Å²	42.7	19%	0.186	22%	0.216	C	C	.	.	S	Bend	trans	77.4	13.5	-176	0	0	0	0	0	114.5	R205 F295 N296	R205-G299 VanDerWaalsContact NH1-CA 3.3Å; F295-G299 VanDerWaalsContact CD1-O 3.31Å; F295-G299 WeakPolarHBondContact CD1-O 3.43Å; N296-G299 PolarHBondContact O-N 3.21Å; N296-G299 PolarHBondContact OD1-N 3.38Å; N296-G299 VanDerWaalsContact OD1-N 3.15Å
300	E	94.2	Very high	95.3	Very high	102 Å²	102	45.7 Å²	45.7	48%	0.477	22%	0.224	S	C	.	.			trans	-86.4	141	177	-55.4	166.5	148.3	0	0	110.1	F295 N296 K298	F295-E300 VanDerWaalsContact CA-O 3.3Å; F295-E300 WeakPolarHBondContact CA-O 3.46Å; N296-E300 PolarHBondContact N-O 2.86Å; N296-E300 PolarHBondContact ND2-OE2 3.32Å; N296-E300 PolarHBondContact OD1-N 3.36Å; K298-E300 VanDerWaalsContact C-N 3.32Å; K298-E300 HydrophobicContact CB-CG 4.19Å
301	P	96.5	Very high	95.3	Very high	48 Å²	48	46.9 Å²	46.9	31%	0.312	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	137	-179.7	28.1	-34.6	0	0	0	111.5	I213 F292 F295 Y303	I213-P301 HydrophobicContact CG1-CB 4.32Å; I213-P301 HydrophobicContact CG1-CG 4.48Å; I213-P301 HydrophobicContact CG2-CB 4.07Å; F292-P301 HydrophobicContact CD2-CB 4.1Å; F292-P301 HydrophobicContact CE2-CB 3.92Å; F295-P301 HydrophobicContact CD1-CB 4.31Å; F295-P301 HydrophobicContact CE1-CB 4.18Å; P301-Y303 HydrophobicContact CB-CE2 4.24Å; P301-Y303 HydrophobicContact CG-CE2 4.27Å
302	E	96.2	Very high	95.3	Very high	43 Å²	43	51.8 Å²	51.8	20%	0.201	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	145.6	176.3	-62	-168.6	101.4	0	0	111.4	F292 S293 G294 N296 R304	F292-E302 CarbonylContact C-O 3.44Å; F292-E302 WeakPolarHBondContact CA-O 3.38Å; S293-E302 PolarHBondContact N-O 3.34Å; S293-E302 PolarHBondContact OG-O 3.02Å; G294-E302 PolarHBondContact O-N 2.91Å; N296-E302 HydrophobicContact CB-CG 3.88Å; E302-R304 HydrophobicContact CB-CG 4.22Å; E302-R304 VanDerWaalsContact CD-NE 3.34Å; E302-R304 IonicContact OE1-CZ 3.34Å; E302-R304 VanDerWaalsContact OE1-CZ 3.25Å; E302-R304 IonicContact OE1-NE 3.94Å; E302-R304 PolarHBondContact OE1-NE 3.22Å; E302-R304 IonicContact OE1-NH2 3.9Å; E302-R304 PolarHBondContact OE1-NH2 2.95Å; E302-R304 IonicContact OE2-CZ 2.71Å; E302-R304 IonicContact OE2-NE 3.25Å; E302-R304 PolarHBondContact OE2-NE 3.44Å; E302-R304 IonicContact OE2-NH1 3.17Å; E302-R304 IonicContact OE2-NH2 2.65Å; E302-R304 PolarHBondContact OE2-NH2 3.47Å
303	Y	97	Very high	95.2	Very high	25 Å²	25	54.4 Å²	54.4	10%	0.098	27%	0.272	C	S	.	.			trans	-118.7	45.8	-175.4	-58.4	-85.4	0	0	0	112.6	I213 A216 E219 L286 G291 F292 P301 L305 A306 T307	I213-Y303 VanDerWaalsContact O-CE1 3.3Å; I213-Y303 WeakPolarHBondContact O-CE1 3.36Å; I213-Y303 PolarHBondContact O-OH 3.28Å; A216-Y303 WeakPolarHBondContact CA-OH 3.47Å; A216-Y303 HydrophobicContact CB-CD1 3.96Å; A216-Y303 HydrophobicContact CB-CE1 3.4Å; A216-Y303 HydrophobicContact CB-CE2 4.23Å; E219-Y303 HydrophobicContact CB-CD2 3.6Å; E219-Y303 HydrophobicContact CB-CE2 3.84Å; E219-Y303 HydrophobicContact CB-CG 4.27Å; E219-Y303 HydrophobicContact CG-CD2 3.68Å; E219-Y303 HydrophobicContact CG-CE2 4.43Å; E219-Y303 HydrophobicContact CG-CG 4.05Å; L286-Y303 HydrophobicContact CD2-CD1 3.71Å; L286-Y303 HydrophobicContact CD2-CG 3.89Å; G291-Y303 CarbonylContact O-C 3.3Å; G291-Y303 WeakPolarHBondContact O-CA 3.42Å; F292-Y303 HydrophobicContact CB-CD1 4.39Å; F292-Y303 HydrophobicContact CB-CE1 4.38Å; P301-Y303 HydrophobicContact CB-CE2 4.24Å; P301-Y303 HydrophobicContact CG-CE2 4.27Å; Y303-L305 VanDerWaalsContact C-N 3.29Å; Y303-L305 PolarHBondContact O-N 3.13Å; Y303-A306 PolarHBondContact O-N 3.43Å; Y303-T307 PolarHBondContact O-N 3.49Å; Y303-T307 PolarHBondContact O-OG1 3.05Å
304	R	95.7	Very high	95.3	Very high	135 Å²	135	53 Å²	53	51%	0.509	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-23.5	-171.2	-56.3	-179.4	179.8	173.1	0.4	113.1	G291 S293 E302 A306 T307 Y310	G291-R304 PolarHBondContact O-N 3.09Å; S293-R304 WeakPolarHBondContact OG-CB 3.46Å; S293-R304 WeakPolarHBondContact OG-CG 3.35Å; S293-R304 PolarHBondContact OG-N 3.28Å; S293-R304 VanDerWaalsContact OG-N 3.14Å; E302-R304 HydrophobicContact CB-CG 4.22Å; E302-R304 VanDerWaalsContact CD-NE 3.34Å; E302-R304 IonicContact OE1-CZ 3.34Å; E302-R304 VanDerWaalsContact OE1-CZ 3.25Å; E302-R304 IonicContact OE1-NE 3.94Å; E302-R304 PolarHBondContact OE1-NE 3.22Å; E302-R304 IonicContact OE1-NH2 3.9Å; E302-R304 PolarHBondContact OE1-NH2 2.95Å; E302-R304 IonicContact OE2-CZ 2.71Å; E302-R304 IonicContact OE2-NE 3.25Å; E302-R304 PolarHBondContact OE2-NE 3.44Å; E302-R304 IonicContact OE2-NH1 3.17Å; E302-R304 IonicContact OE2-NH2 2.65Å; E302-R304 PolarHBondContact OE2-NH2 3.47Å; R304-A306 VanDerWaalsContact C-N 3.27Å; R304-A306 PolarHBondContact O-N 3.14Å; R304-T307 PolarHBondContact O-N 2.98Å; R304-Y310 WeakPolarHBondContact CG-OH 3.48Å
305	L	95.4	Very high	95.3	Very high	21 Å²	21	54.1 Å²	54.1	11%	0.11	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-28.8	179.8	-55.4	-177.7	0	0	0	112.5	D184 F290 G291 F292 Y303	D184-L305 HydrophobicContact CB-CD1 4.09Å; F290-L305 HydrophobicContact CE1-CB 3.76Å; F290-L305 HydrophobicContact CE2-CD1 4.11Å; F290-L305 HydrophobicContact CZ-CB 3.75Å; F290-L305 HydrophobicContact CZ-CD1 4.01Å; F290-L305 HydrophobicContact CZ-CG 4.49Å; G291-L305 WeakPolarHBondContact O-CB 3.1Å; G291-L305 PolarHBondContact O-N 3.05Å; G291-L305 VanDerWaalsContact O-N 3.1Å; F292-L305 WeakPolarHBondContact O-CD1 3.23Å; Y303-L305 VanDerWaalsContact C-N 3.29Å; Y303-L305 PolarHBondContact O-N 3.13Å
306	A	96.5	Very high	95.3	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-16.2	178.7	0	0	0	0	0	113.1	C282 N285 L286 Y303 R304	C282-A306 WeakPolarHBondContact CA-O 3.47Å; C282-A306 VanDerWaalsContact CB-O 3.3Å; C282-A306 WeakPolarHBondContact CB-O 3.32Å; C282-A306 PolarHBondContact SG-O 3.14Å; N285-A306 HydrophobicContact CB-CB 3.61Å; L286-A306 HydrophobicContact CD2-CB 4.22Å; L286-A306 HydrophobicContact CG-CB 4.29Å; Y303-A306 PolarHBondContact O-N 3.43Å; R304-A306 VanDerWaalsContact C-N 3.27Å; R304-A306 PolarHBondContact O-N 3.14Å
307	T	95.6	Very high	95.3	Very high	7 Å²	7	56.5 Å²	56.5	4%	0.043	28%	0.281	C	S	.	.			trans	-93.1	112.6	-171.3	-59.3	0	0	0	0	110.5	Y303 R304 I309 Y310 T329	Y303-T307 PolarHBondContact O-N 3.49Å; Y303-T307 PolarHBondContact O-OG1 3.05Å; R304-T307 PolarHBondContact O-N 2.98Å; T307-I309 VanDerWaalsContact CG2-O 3.25Å; T307-I309 WeakPolarHBondContact CG2-O 3.34Å; T307-Y310 HydrophobicContact CG2-CD1 4.17Å; T307-Y310 HydrophobicContact CG2-CD2 4.49Å; T307-Y310 HydrophobicContact CG2-CE1 3.78Å; T307-Y310 HydrophobicContact CG2-CE2 4.13Å; T307-T329 PolarHBondContact O-OG1 2.93Å
308	N	94.9	Very high	95.4	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.016	25%	0.247	C	C	.	.			trans	-95.2	-17	176.8	-152	27.5	0	0	0	114.3	P178 W278 N328 T329 A330	P178-N308 HydrophobicContact CB-CB 4.13Å; W278-N308 HydrophobicContact CB-CB 4.15Å; W278-N308 HydrophobicContact CD2-CB 4.41Å; W278-N308 HydrophobicContact CG-CB 4.08Å; W278-N308 PolarHBondContact NE1-ND2 2.62Å; W278-N308 VanDerWaalsContact NE1-ND2 3.17Å; N308-N328 PolarHBondContact ND2-OD1 3.07Å; N308-N328 CarbonylContact O-C 3.33Å; N308-N328 WeakPolarHBondContact O-CA 3.39Å; N308-N328 PolarHBondContact O-N 2.89Å; N308-N328 VanDerWaalsContact OD1-C 3.31Å; N308-N328 PolarHBondContact OD1-OD1 2.55Å; N308-T329 WeakPolarHBondContact CA-OG1 3.46Å; N308-T329 PolarHBondContact O-N 3.45Å; N308-T329 PolarHBondContact O-OG1 3.16Å; N308-T329 PolarHBondContact OD1-N 3.1Å; N308-A330 VanDerWaalsContact OD1-CB 3.3Å; N308-A330 WeakPolarHBondContact OD1-CB 3.37Å; N308-A330 PolarHBondContact OD1-N 2.88Å
309	I	96.2	Very high	95.3	Very high	10 Å²	10	42.9 Å²	42.9	5%	0.051	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-137.5	142.2	178.3	53.3	122.4	0	0	0	112.3	Y275 W278 T307 F311 I314 S326	Y275-I309 HydrophobicContact CD1-CD1 3.84Å; Y275-I309 HydrophobicContact CD1-CG2 4.35Å; Y275-I309 HydrophobicContact CG-CD1 4.29Å; W278-I309 HydrophobicContact CB-CG1 4.34Å; W278-I309 HydrophobicContact CD2-CG2 4.23Å; W278-I309 HydrophobicContact CE3-CG2 3.23Å; W278-I309 HydrophobicContact CZ3-CG2 3.64Å; T307-I309 VanDerWaalsContact CG2-O 3.25Å; T307-I309 WeakPolarHBondContact CG2-O 3.34Å; I309-F311 HydrophobicContact CD1-CB 4.43Å; I309-I314 HydrophobicContact CB-CD1 3.93Å; I309-I314 HydrophobicContact CG2-CD1 4.07Å; I309-S326 WeakPolarHBondContact CA-O 3.31Å
310	Y	96.4	Very high	95.3	Very high	76 Å²	76	42.6 Å²	42.6	30%	0.298	21%	0.214	S	C	.	.			trans	-111.6	92.3	167.2	-62.8	-85.8	0	0	0	109.5	R304 T307 L312 P313 I314 S326 T329	R304-Y310 WeakPolarHBondContact CG-OH 3.48Å; T307-Y310 HydrophobicContact CG2-CD1 4.17Å; T307-Y310 HydrophobicContact CG2-CD2 4.49Å; T307-Y310 HydrophobicContact CG2-CE1 3.78Å; T307-Y310 HydrophobicContact CG2-CE2 4.13Å; Y310-L312 PolarHBondContact O-N 3.21Å; Y310-P313 VanDerWaalsContact O-CD 3.27Å; Y310-P313 WeakPolarHBondContact O-CD 3.45Å; Y310-I314 WeakPolarHBondContact O-CD1 3.34Å; Y310-I314 VanDerWaalsContact O-CG1 3.23Å; Y310-I314 WeakPolarHBondContact O-CG1 3.3Å; Y310-I314 PolarHBondContact O-N 3.16Å; Y310-S326 PolarHBondContact N-O 3.48Å; Y310-T329 HydrophobicContact CD2-CG2 3.78Å; Y310-T329 HydrophobicContact CE2-CG2 3.74Å
311	F	96	Very high	95.1	Very high	32 Å²	32	43 Å²	43	14%	0.14	21%	0.214	C	C	.	.	H	α-helix	trans	-49.4	-54.3	-170.9	175.1	-122.2	0	0	0	114.1	L226 L229 H230 F268 Y275 I309 I314 E315	L226-F311 HydrophobicContact CD2-CD1 4.18Å; L229-F311 HydrophobicContact CD2-CE1 4.28Å; H230-F311 AromaticContact CE1-CD2 3.54Å; H230-F311 AromaticContact CE1-CE2 3.7Å; H230-F311 AromaticContact CE1-CG 3.85Å; F268-F311 AromaticContact CE2-CE2 3.97Å; F268-F311 HydrophobicContact CE2-CE2 3.97Å; F268-F311 HydrophobicContact CE2-CZ 4.14Å; F268-F311 HydrophobicContact CZ-CE2 4.5Å; F268-F311 HydrophobicContact CZ-CZ 4.38Å; Y275-F311 AromaticContact CD2-CD2 3.91Å; Y275-F311 HydrophobicContact CD2-CD2 3.91Å; Y275-F311 HydrophobicContact CD2-CE2 4.02Å; Y275-F311 AromaticContact CE2-CD2 3.66Å; Y275-F311 HydrophobicContact CE2-CD2 3.66Å; Y275-F311 AromaticContact CE2-CE2 3.71Å; Y275-F311 HydrophobicContact CE2-CE2 3.71Å; I309-F311 HydrophobicContact CD1-CB 4.43Å; F311-I314 PolarHBondContact O-N 3.33Å; F311-E315 HydrophobicContact CD2-CG 3.99Å; F311-E315 HydrophobicContact CE2-CG 3.59Å; F311-E315 HydrophobicContact CZ-CG 4.2Å; F311-E315 PolarHBondContact O-N 3.11Å
312	L	95.7	Very high	94.8	Very high	105 Å²	105	42.4 Å²	42.4	55%	0.55	21%	0.214	S	C	.	.	H	α-helix	trans	-66.3	-47.3	-178.7	-65.9	178.2	0	0	0	112.6	Y310 I314 E315 L316	Y310-L312 PolarHBondContact O-N 3.21Å; L312-I314 PolarHBondContact O-N 3.48Å; L312-E315 PolarHBondContact O-N 2.87Å; L312-L316 HydrophobicContact CB-CD1 4.4Å; L312-L316 HydrophobicContact CD2-CD1 4.14Å; L312-L316 WeakPolarHBondContact O-CA 3.43Å; L312-L316 VanDerWaalsContact O-CB 3.25Å; L312-L316 WeakPolarHBondContact O-CB 3.24Å; L312-L316 PolarHBondContact O-N 2.81Å
313	P	96	Very high	94.8	Very high	59 Å²	59	40.8 Å²	40.8	38%	0.383	21%	0.206	S	C	.	.	H	α-helix	trans	-56.6	-29.1	171.5	-33	38.8	0	0	0	115.8	Y310 G317 S326	Y310-P313 VanDerWaalsContact O-CD 3.27Å; Y310-P313 WeakPolarHBondContact O-CD 3.45Å; P313-G317 WeakPolarHBondContact O-CA 3.41Å; P313-G317 PolarHBondContact O-N 2.86Å; P313-G317 VanDerWaalsContact O-N 3.08Å; P313-S326 VanDerWaalsContact CB-OG 3.25Å; P313-S326 WeakPolarHBondContact CB-OG 3.48Å
314	I	96.7	Very high	94.5	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.015	22%	0.217	C	C	.	.	H	α-helix	trans	-72.4	-52	174.2	-62.3	160.9	0	0	0	110.2	Y275 I309 Y310 F311 L312 I323 S326 W327 M410	Y275-I314 HydrophobicContact CE1-CD1 3.81Å; Y275-I314 WeakPolarHBondContact OH-CG2 3.33Å; I309-I314 HydrophobicContact CB-CD1 3.93Å; I309-I314 HydrophobicContact CG2-CD1 4.07Å; Y310-I314 WeakPolarHBondContact O-CD1 3.34Å; Y310-I314 VanDerWaalsContact O-CG1 3.23Å; Y310-I314 WeakPolarHBondContact O-CG1 3.3Å; Y310-I314 PolarHBondContact O-N 3.16Å; F311-I314 PolarHBondContact O-N 3.33Å; L312-I314 PolarHBondContact O-N 3.48Å; I314-I323 HydrophobicContact CG2-CG2 3.88Å; I314-I323 WeakPolarHBondContact O-CG1 3.2Å; I314-S326 WeakPolarHBondContact CD1-O 3.43Å; I314-W327 HydrophobicContact CD1-CB 4.31Å; I314-W327 HydrophobicContact CD1-CE3 4.16Å; I314-W327 HydrophobicContact CG1-CB 4.37Å; I314-W327 HydrophobicContact CG2-CE3 4.44Å; I314-M410 WeakPolarHBondContact O-CE 3.33Å
315	E	95.6	Very high	94.4	Very high	29 Å²	29	39.3 Å²	39.3	14%	0.136	21%	0.209	C	C	.	.	H	α-helix	trans	-76.6	-30.2	-174.4	-61.2	-58.6	154.9	0	0	113.1	F268 R271 Y275 F311 L312 N406	F268-E315 HydrophobicContact CD2-CG 4.4Å; F268-E315 HydrophobicContact CE2-CG 4.17Å; R271-E315 IonicContact CZ-OE1 2.93Å; R271-E315 IonicContact CZ-OE2 2.84Å; R271-E315 IonicContact NE-OE1 3.15Å; R271-E315 PolarHBondContact NE-OE1 3.32Å; R271-E315 IonicContact NH2-OE1 3.23Å; R271-E315 PolarHBondContact NH2-OE1 3.05Å; R271-E315 VanDerWaalsContact NH2-OE1 3.15Å; R271-E315 IonicContact NH2-OE2 3.47Å; R271-E315 PolarHBondContact NH2-OE2 2.69Å; Y275-E315 WeakPolarHBondContact CE2-OE1 3.45Å; Y275-E315 PolarHBondContact OH-OE1 2.89Å; F311-E315 HydrophobicContact CD2-CG 3.99Å; F311-E315 HydrophobicContact CE2-CG 3.59Å; F311-E315 HydrophobicContact CZ-CG 4.2Å; F311-E315 PolarHBondContact O-N 3.11Å; L312-E315 PolarHBondContact O-N 2.87Å; E315-N406 PolarHBondContact O-ND2 2.84Å
316	L	95.5	Very high	94.4	Very high	111 Å²	111	39 Å²	39	58%	0.581	21%	0.209	S	C	*	.	S	Bend	trans	-106.8	5.3	-177	-54.1	179.4	0	0	0	113.6	L312 T318 N406	L312-L316 HydrophobicContact CB-CD1 4.4Å; L312-L316 HydrophobicContact CD2-CD1 4.14Å; L312-L316 WeakPolarHBondContact O-CA 3.43Å; L312-L316 VanDerWaalsContact O-CB 3.25Å; L312-L316 WeakPolarHBondContact O-CB 3.24Å; L312-L316 PolarHBondContact O-N 2.81Å; L316-T318 PolarHBondContact O-N 2.8Å; L316-N406 VanDerWaalsContact CA-ND2 3.33Å; L316-N406 WeakPolarHBondContact CA-ND2 3.38Å
317	G	93.7	Very high	94.4	Very high	7 Å²	7	42.1 Å²	42.1	7%	0.072	22%	0.221	C	C	.	.			trans	-62.8	133.8	-178.6	0	0	0	0	0	112.6	P313 S319 N406	P313-G317 WeakPolarHBondContact O-CA 3.41Å; P313-G317 PolarHBondContact O-N 2.86Å; P313-G317 VanDerWaalsContact O-N 3.08Å; G317-S319 VanDerWaalsContact C-N 3.3Å; G317-S319 PolarHBondContact O-N 3.23Å; G317-N406 PolarHBondContact N-ND2 3.11Å; G317-N406 WeakPolarHBondContact O-CA 3.41Å; G317-N406 PolarHBondContact O-ND2 3.15Å
318	T	93.4	Very high	94.4	Very high	42 Å²	42	42.4 Å²	42.4	26%	0.258	22%	0.222	S	C	.	.	S	Bend	trans	-90.1	10.3	-176.3	61	0	0	0	0	113.6	L316 N402 T405	L316-T318 PolarHBondContact O-N 2.8Å; T318-N402 HydrophobicContact CG2-CB 3.8Å; T318-T405 VanDerWaalsContact O-CB 3.31Å; T318-T405 WeakPolarHBondContact O-CB 3.38Å; T318-T405 PolarHBondContact O-OG1 3.19Å
319	S	92.3	Very high	94.4	Very high	24 Å²	24	43.4 Å²	43.4	17%	0.168	23%	0.229	C	C	.	.	S	Bend	trans	-159.5	153.2	172.3	60.5	0	0	0	0	110.9	G317 K321 A322 I323	G317-S319 VanDerWaalsContact C-N 3.3Å; G317-S319 PolarHBondContact O-N 3.23Å; S319-K321 PolarHBondContact O-N 2.69Å; S319-A322 PolarHBondContact O-N 3.08Å; S319-A322 PolarHBondContact OG-N 3.08Å; S319-I323 WeakPolarHBondContact O-CG1 3.45Å; S319-I323 PolarHBondContact O-N 3.26Å; S319-I323 VanDerWaalsContact O-N 3.08Å
320	T	91.5	Very high	94.4	Very high	12 Å²	12	43.5 Å²	43.5	7%	0.074	23%	0.231	C	C	.	.	H	α-helix	trans	-56.6	-37.2	177.1	54	0	0	0	0	112.3	I323 I324 I376 A409 L413	T320-I323 PolarHBondContact O-N 3.07Å; T320-I324 WeakPolarHBondContact O-CB 3.34Å; T320-I324 WeakPolarHBondContact O-CD1 3.39Å; T320-I324 WeakPolarHBondContact O-CG1 3.44Å; T320-I324 PolarHBondContact O-N 3.22Å; T320-I376 HydrophobicContact CG2-CG2 3.65Å; T320-A409 HydrophobicContact CG2-CB 3.87Å; T320-L413 HydrophobicContact CG2-CD1 4.31Å; T320-L413 HydrophobicContact CG2-CD2 4.28Å; T320-L413 HydrophobicContact CG2-CG 4.02Å
321	K	89.2	Confident	94.4	Very high	110 Å²	110	40.2 Å²	40.2	48%	0.478	22%	0.219	S	C	.	.	H	α-helix	trans	-58.8	-51.9	173.5	175.8	167.9	173.3	47.1	0	112.5	S319 I323 I324 D325	S319-K321 PolarHBondContact O-N 2.69Å; K321-I323 VanDerWaalsContact C-N 3.27Å; K321-I323 PolarHBondContact O-N 2.98Å; K321-I324 PolarHBondContact O-N 2.91Å; K321-D325 WeakPolarHBondContact CE-OD2 3Å; K321-D325 WeakPolarHBondContact CG-OD2 3.45Å; K321-D325 VanDerWaalsContact NZ-CG 3.34Å; K321-D325 IonicContact NZ-OD1 2.77Å; K321-D325 PolarHBondContact NZ-OD1 3.32Å; K321-D325 VanDerWaalsContact NZ-OD1 3.17Å; K321-D325 IonicContact NZ-OD2 3.64Å; K321-D325 PolarHBondContact NZ-OD2 3.33Å; K321-D325 WeakPolarHBondContact O-CB 3.5Å; K321-D325 PolarHBondContact O-N 3.33Å
322	A	92.2	Very high	94.4	Very high	37 Å²	37	40.5 Å²	40.5	31%	0.306	22%	0.223	S	C	.	.	H	α-helix	trans	-62.5	-38	-178.1	0	0	0	0	0	111.9	S319 S326	S319-A322 PolarHBondContact O-N 3.08Å; S319-A322 PolarHBondContact OG-N 3.08Å; A322-S326 WeakPolarHBondContact O-CB 3.3Å; A322-S326 PolarHBondContact O-N 3.07Å; A322-S326 PolarHBondContact O-OG 3.42Å
323	I	94.8	Very high	94.3	Very high	8 Å²	8	39.4 Å²	39.4	4%	0.041	21%	0.211	C	C	.	.	H	α-helix	trans	-65.5	-49.7	176.6	-61.5	172.7	0	0	0	110.4	I314 S319 T320 K321 S326 W327 A409 M410 L413	I314-I323 HydrophobicContact CG2-CG2 3.88Å; I314-I323 WeakPolarHBondContact O-CG1 3.2Å; S319-I323 WeakPolarHBondContact O-CG1 3.45Å; S319-I323 PolarHBondContact O-N 3.26Å; S319-I323 VanDerWaalsContact O-N 3.08Å; T320-I323 PolarHBondContact O-N 3.07Å; K321-I323 VanDerWaalsContact C-N 3.27Å; K321-I323 PolarHBondContact O-N 2.98Å; I323-S326 PolarHBondContact O-N 2.81Å; I323-S326 VanDerWaalsContact O-N 3.16Å; I323-W327 PolarHBondContact O-N 3.46Å; I323-A409 HydrophobicContact CD1-CB 3.8Å; I323-M410 HydrophobicContact CD1-CE 4.28Å; I323-L413 HydrophobicContact CB-CD1 3.65Å; I323-L413 HydrophobicContact CD1-CD1 3.82Å; I323-L413 HydrophobicContact CG1-CD1 4.34Å; I323-L413 HydrophobicContact CG2-CD1 3.41Å; I323-L413 VanDerWaalsContact CG2-CD1 3.41Å
324	I	91.9	Very high	94.4	Very high	65 Å²	65	36.6 Å²	36.6	33%	0.333	19%	0.193	S	C	.	.	H	α-helix	trans	-63.8	-42.4	179.5	-69.2	166.2	0	0	0	111.6	T320 K321 S326 W327 L413	T320-I324 WeakPolarHBondContact O-CB 3.34Å; T320-I324 WeakPolarHBondContact O-CD1 3.39Å; T320-I324 WeakPolarHBondContact O-CG1 3.44Å; T320-I324 PolarHBondContact O-N 3.22Å; K321-I324 PolarHBondContact O-N 2.91Å; I324-S326 PolarHBondContact O-N 2.86Å; I324-S326 VanDerWaalsContact O-N 3.15Å; I324-W327 PolarHBondContact O-N 3.49Å; I324-W327 VanDerWaalsContact O-N 3.13Å; I324-W327 VanDerWaalsContact O-O 3.09Å; I324-L413 HydrophobicContact CD1-CD2 4.1Å; I324-L413 HydrophobicContact CG1-CD1 4.49Å; I324-L413 HydrophobicContact CG1-CD2 4.29Å
325	D	92.3	Very high	94.4	Very high	64 Å²	64	37 Å²	37	34%	0.342	20%	0.196	S	C	.	.	H	α-helix	trans	-62.9	-21.3	177.9	-71.3	-18	0	0	0	112.2	K321 T329	K321-D325 WeakPolarHBondContact CE-OD2 3Å; K321-D325 WeakPolarHBondContact CG-OD2 3.45Å; K321-D325 VanDerWaalsContact NZ-CG 3.34Å; K321-D325 IonicContact NZ-OD1 2.77Å; K321-D325 PolarHBondContact NZ-OD1 3.32Å; K321-D325 VanDerWaalsContact NZ-OD1 3.17Å; K321-D325 IonicContact NZ-OD2 3.64Å; K321-D325 PolarHBondContact NZ-OD2 3.33Å; K321-D325 WeakPolarHBondContact O-CB 3.5Å; K321-D325 PolarHBondContact O-N 3.33Å; D325-T329 WeakPolarHBondContact O-CG2 3.35Å
326	S	96.3	Very high	94.4	Very high	16 Å²	16	41.1 Å²	41.1	11%	0.112	21%	0.21	C	C	.	.	H	α-helix	trans	-95.3	-11.1	-179.8	-59	0	0	0	0	113.6	I309 Y310 P313 I314 A322 I323 I324	I309-S326 WeakPolarHBondContact CA-O 3.31Å; Y310-S326 PolarHBondContact N-O 3.48Å; P313-S326 VanDerWaalsContact CB-OG 3.25Å; P313-S326 WeakPolarHBondContact CB-OG 3.48Å; I314-S326 WeakPolarHBondContact CD1-O 3.43Å; A322-S326 WeakPolarHBondContact O-CB 3.3Å; A322-S326 PolarHBondContact O-N 3.07Å; A322-S326 PolarHBondContact O-OG 3.42Å; I323-S326 PolarHBondContact O-N 2.81Å; I323-S326 VanDerWaalsContact O-N 3.16Å; I324-S326 PolarHBondContact O-N 2.86Å; I324-S326 VanDerWaalsContact O-N 3.15Å
327	W	95.6	Very high	94.4	Very high	64 Å²	64	36.1 Å²	36.1	24%	0.242	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-102.6	127.8	-179.7	172.5	-84.3	0	0	0	110.6	R271 F274 Y275 W278 I314 I323 I324 T329	R271-W327 HydrophobicContact CB-CH2 4.43Å; R271-W327 HydrophobicContact CB-CZ3 4.2Å; R271-W327 HydrophobicContact CG-CH2 4.03Å; R271-W327 HydrophobicContact CG-CZ3 3.85Å; F274-W327 HydrophobicContact CB-CH2 3.58Å; F274-W327 HydrophobicContact CB-CZ2 4.13Å; F274-W327 HydrophobicContact CB-CZ3 4.36Å; F274-W327 HydrophobicContact CD1-CZ2 4.4Å; F274-W327 AromaticContact CD2-CH2 3.62Å; F274-W327 HydrophobicContact CD2-CH2 3.62Å; F274-W327 HydrophobicContact CD2-CZ2 4.04Å; F274-W327 HydrophobicContact CE2-CH2 4.4Å; F274-W327 AromaticContact CG-CH2 3.69Å; F274-W327 HydrophobicContact CG-CH2 3.69Å; F274-W327 AromaticContact CG-CZ2 3.95Å; F274-W327 HydrophobicContact CG-CZ2 3.95Å; Y275-W327 HydrophobicContact CD1-CZ3 4.08Å; Y275-W327 AromaticContact CE1-CE3 3.8Å; Y275-W327 HydrophobicContact CE1-CE3 3.8Å; Y275-W327 AromaticContact CE1-CZ3 3.42Å; Y275-W327 HydrophobicContact CE1-CZ3 3.42Å; Y275-W327 VanDerWaalsContact CE1-CZ3 3.42Å; W278-W327 HydrophobicContact CH2-CD2 4.49Å; W278-W327 AromaticContact CH2-CE2 3.77Å; W278-W327 AromaticContact CH2-CZ2 3.79Å; W278-W327 HydrophobicContact CH2-CZ2 3.79Å; W278-W327 AromaticContact CH2-NE1 3.88Å; W278-W327 HydrophobicContact CZ3-CD2 4.03Å; W278-W327 AromaticContact CZ3-CE2 3.68Å; W278-W327 HydrophobicContact CZ3-CE3 4.33Å; W278-W327 HydrophobicContact CZ3-CH2 4Å; W278-W327 AromaticContact CZ3-CZ2 3.68Å; W278-W327 HydrophobicContact CZ3-CZ2 3.68Å; W278-W327 HydrophobicContact CZ3-CZ3 4.32Å; I314-W327 HydrophobicContact CD1-CB 4.31Å; I314-W327 HydrophobicContact CD1-CE3 4.16Å; I314-W327 HydrophobicContact CG1-CB 4.37Å; I314-W327 HydrophobicContact CG2-CE3 4.44Å; I323-W327 PolarHBondContact O-N 3.46Å; I324-W327 PolarHBondContact O-N 3.49Å; I324-W327 VanDerWaalsContact O-N 3.13Å; I324-W327 VanDerWaalsContact O-O 3.09Å; W327-T329 VanDerWaalsContact C-N 3.32Å; W327-T329 PolarHBondContact O-N 3.37Å
328	N	95.4	Very high	94.5	Very high	14 Å²	14	36 Å²	36	8%	0.075	18%	0.182	C	C	.	.	S	Bend	trans	49.9	52.8	179.1	-162	-4.2	0	0	0	112.3	W278 N308 A330 T331 T332	W278-N328 HydrophobicContact CH2-CB 3.51Å; W278-N328 HydrophobicContact CZ2-CB 3.96Å; W278-N328 HydrophobicContact CZ3-CB 4.1Å; N308-N328 PolarHBondContact ND2-OD1 3.07Å; N308-N328 CarbonylContact O-C 3.33Å; N308-N328 WeakPolarHBondContact O-CA 3.39Å; N308-N328 PolarHBondContact O-N 2.89Å; N308-N328 VanDerWaalsContact OD1-C 3.31Å; N308-N328 PolarHBondContact OD1-OD1 2.55Å; N328-A330 PolarHBondContact O-N 3.41Å; N328-T331 VanDerWaalsContact CG-CB 3.47Å; N328-T331 PolarHBondContact ND2-OG1 2.9Å; N328-T331 WeakPolarHBondContact O-CB 3.23Å; N328-T331 PolarHBondContact O-N 3.5Å; N328-T331 WeakPolarHBondContact OD1-CB 3.26Å; N328-T331 PolarHBondContact OD1-OG1 3.37Å; N328-T332 PolarHBondContact O-N 2.93Å; N328-T332 PolarHBondContact O-OG1 2.96Å
329	T	96.3	Very high	94.7	Very high	24 Å²	24	34.5 Å²	34.5	15%	0.147	17%	0.172	C	C	.	.	H	α-helix	trans	-59.4	-32.8	-168.3	57.7	0	0	0	0	113	T307 N308 Y310 D325 W327 T332 R333	T307-T329 PolarHBondContact O-OG1 2.93Å; N308-T329 WeakPolarHBondContact CA-OG1 3.46Å; N308-T329 PolarHBondContact O-N 3.45Å; N308-T329 PolarHBondContact O-OG1 3.16Å; N308-T329 PolarHBondContact OD1-N 3.1Å; Y310-T329 HydrophobicContact CD2-CG2 3.78Å; Y310-T329 HydrophobicContact CE2-CG2 3.74Å; D325-T329 WeakPolarHBondContact O-CG2 3.35Å; W327-T329 VanDerWaalsContact C-N 3.32Å; W327-T329 PolarHBondContact O-N 3.37Å; T329-T332 PolarHBondContact O-N 3.31Å; T329-R333 WeakPolarHBondContact O-CB 3.44Å; T329-R333 PolarHBondContact O-N 3.29Å
330	A	96	Very high	94.8	Very high	11 Å²	11	37.4 Å²	37.4	9%	0.091	18%	0.18	C	C	.	.	H	α-helix	trans	-63.9	-42.6	174.6	0	0	0	0	0	112	P178 F179 N308 N328 R333 W334	P178-A330 HydrophobicContact CB-CB 3.85Å; F179-A330 HydrophobicContact CB-CB 4.37Å; F179-A330 HydrophobicContact CD1-CB 4.43Å; F179-A330 WeakPolarHBondContact O-CB 3.44Å; N308-A330 VanDerWaalsContact OD1-CB 3.3Å; N308-A330 WeakPolarHBondContact OD1-CB 3.37Å; N308-A330 PolarHBondContact OD1-N 2.88Å; N328-A330 PolarHBondContact O-N 3.41Å; A330-R333 PolarHBondContact O-N 3.41Å; A330-W334 PolarHBondContact O-N 3.45Å
331	T	96.5	Very high	95	Very high	8 Å²	8	37.4 Å²	37.4	5%	0.049	18%	0.179	C	C	.	.	H	α-helix	trans	-66.7	-41.4	176.1	-61.4	0	0	0	0	111.3	Q124 N328 R333 W334 L335 W359	Q124-T331 PolarHBondContact NE2-OG1 3.34Å; N328-T331 VanDerWaalsContact CG-CB 3.47Å; N328-T331 PolarHBondContact ND2-OG1 2.9Å; N328-T331 WeakPolarHBondContact O-CB 3.23Å; N328-T331 PolarHBondContact O-N 3.5Å; N328-T331 WeakPolarHBondContact OD1-CB 3.26Å; N328-T331 PolarHBondContact OD1-OG1 3.37Å; T331-R333 VanDerWaalsContact C-N 3.27Å; T331-R333 PolarHBondContact O-N 3.37Å; T331-W334 HydrophobicContact CG2-CE3 4.14Å; T331-W334 HydrophobicContact CG2-CZ3 4.49Å; T331-W334 PolarHBondContact O-N 3.44Å; T331-L335 HydrophobicContact CG2-CD1 4.14Å; T331-L335 HydrophobicContact CG2-CG 4.49Å; T331-L335 WeakPolarHBondContact O-CG 3.43Å; T331-L335 PolarHBondContact O-N 2.95Å; T331-W359 HydrophobicContact CG2-CE3 4.24Å; T331-W359 HydrophobicContact CG2-CH2 3.86Å; T331-W359 HydrophobicContact CG2-CZ2 4.26Å; T331-W359 HydrophobicContact CG2-CZ3 3.86Å
332	T	95	Very high	95.3	Very high	37 Å²	37	33.5 Å²	33.5	23%	0.227	16%	0.161	C	C	.	.	H	α-helix	trans	-60.4	-38.4	175.1	-62.8	0	0	0	0	111.5	N328 T329 R336	N328-T332 PolarHBondContact O-N 2.93Å; N328-T332 PolarHBondContact O-OG1 2.96Å; T329-T332 PolarHBondContact O-N 3.31Å; T332-R336 WeakPolarHBondContact O-CB 3.38Å; T332-R336 PolarHBondContact O-N 2.94Å
333	R	95.1	Very high	95.4	Very high	82 Å²	82	33.7 Å²	33.7	31%	0.309	16%	0.159	S	C	.	.	H	α-helix	trans	-66.7	-46.8	174.4	-169	171.8	177.4	-162.2	18.6	111.9	H153 F181 D184 T329 A330 T331 L335 R336 E337	H153-R333 VanDerWaalsContact CE1-CZ 3.43Å; H153-R333 PolarHBondContact CE1-NH2 3.31Å; H153-R333 PolarHBondContact NE2-NH2 2.65Å; F181-R333 HydrophobicContact CE2-CG 3.78Å; F181-R333 VanDerWaalsContact CE2-CZ 3.46Å; F181-R333 VanDerWaalsContact CE2-NE 3.25Å; F181-R333 HydrophobicContact CZ-CG 4.02Å; D184-R333 IonicContact OD2-NH1 3.21Å; T329-R333 WeakPolarHBondContact O-CB 3.44Å; T329-R333 PolarHBondContact O-N 3.29Å; A330-R333 PolarHBondContact O-N 3.41Å; T331-R333 VanDerWaalsContact C-N 3.27Å; T331-R333 PolarHBondContact O-N 3.37Å; R333-L335 PolarHBondContact O-N 2.91Å; R333-R336 WeakPolarHBondContact O-CB 3.05Å; R333-R336 PolarHBondContact O-N 3.23Å; R333-R336 VanDerWaalsContact O-N 3.12Å; R333-E337 HydrophobicContact CG-CG 4.28Å; R333-E337 WeakPolarHBondContact CG-OE1 3.09Å; R333-E337 IonicContact CZ-OE1 3.4Å; R333-E337 IonicContact NE-OE1 3.04Å; R333-E337 PolarHBondContact NE-OE1 2.77Å; R333-E337 IonicContact NH2-OE1 2.81Å; R333-E337 WeakPolarHBondContact O-CG 3.45Å; R333-E337 PolarHBondContact O-N 2.88Å
334	W	97.3	Very high	95.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-55	-50.2	173.9	164.3	67.2	0	0	0	112.4	L92 M96 Q124 S127 F179 A330 T331 R336 E337 C338 W359	L92-W334 HydrophobicContact CD1-CZ2 4.25Å; M96-W334 HydrophobicContact SD-CH2 4.19Å; M96-W334 HydrophobicContact SD-CZ2 4.42Å; Q124-W334 HydrophobicContact CB-CB 4.45Å; Q124-W334 HydrophobicContact CB-CD2 4.24Å; Q124-W334 HydrophobicContact CB-CG 4.01Å; Q124-W334 HydrophobicContact CG-CB 4.35Å; Q124-W334 HydrophobicContact CG-CD2 3.61Å; Q124-W334 HydrophobicContact CG-CE3 3.79Å; Q124-W334 HydrophobicContact CG-CG 3.84Å; Q124-W334 HydrophobicContact CG-CZ3 4.31Å; S127-W334 PolarHBondContact OG-NE1 3.44Å; F179-W334 HydrophobicContact CD1-CB 4.19Å; F179-W334 HydrophobicContact CE1-CB 4.06Å; A330-W334 PolarHBondContact O-N 3.45Å; T331-W334 HydrophobicContact CG2-CE3 4.14Å; T331-W334 HydrophobicContact CG2-CZ3 4.49Å; T331-W334 PolarHBondContact O-N 3.44Å; W334-R336 PolarHBondContact O-N 3.07Å; W334-E337 PolarHBondContact O-N 3.45Å; W334-C338 VanDerWaalsContact O-CB 3.27Å; W334-C338 WeakPolarHBondContact O-CB 3.43Å; W334-C338 PolarHBondContact O-N 3.33Å; W334-W359 HydrophobicContact CH2-CB 4.18Å; W334-W359 AromaticContact CH2-CD1 3.78Å; W334-W359 HydrophobicContact CH2-CG 4.01Å; W334-W359 HydrophobicContact CZ3-CB 4.28Å; W334-W359 AromaticContact CZ3-CD1 3.91Å; W334-W359 HydrophobicContact CZ3-CD2 4.26Å; W334-W359 AromaticContact CZ3-CG 3.9Å; W334-W359 HydrophobicContact CZ3-CG 3.9Å
335	L	96.4	Very high	95.4	Very high	13 Å²	13	39.5 Å²	39.5	7%	0.068	19%	0.19	C	C	.	.	H	α-helix	trans	-60	-36.1	177.7	-71.9	169.9	0	0	0	111.9	T331 R333 I339 Y340 V352 A355	T331-L335 HydrophobicContact CG2-CD1 4.14Å; T331-L335 HydrophobicContact CG2-CG 4.49Å; T331-L335 WeakPolarHBondContact O-CG 3.43Å; T331-L335 PolarHBondContact O-N 2.95Å; R333-L335 PolarHBondContact O-N 2.91Å; L335-I339 HydrophobicContact CD2-CD1 3.82Å; L335-I339 VanDerWaalsContact O-CB 3.29Å; L335-I339 WeakPolarHBondContact O-CB 3.38Å; L335-I339 PolarHBondContact O-N 2.9Å; L335-Y340 PolarHBondContact O-N 2.96Å; L335-V352 HydrophobicContact CB-CG1 4.16Å; L335-V352 HydrophobicContact CD1-CG1 4.16Å; L335-A355 HydrophobicContact CD2-CB 4.26Å
336	R	95.3	Very high	95.3	Very high	114 Å²	114	45.5 Å²	45.5	43%	0.43	21%	0.208	S	C	.	.	I	π-helix	trans	-65.7	-59.3	175.6	176.5	172.5	-75.1	-178.5	-1.6	111.4	Y149 T332 R333 W334 Y340 D341	Y149-R336 WeakPolarHBondContact OH-CD 3.3Å; T332-R336 WeakPolarHBondContact O-CB 3.38Å; T332-R336 PolarHBondContact O-N 2.94Å; R333-R336 WeakPolarHBondContact O-CB 3.05Å; R333-R336 PolarHBondContact O-N 3.23Å; R333-R336 VanDerWaalsContact O-N 3.12Å; W334-R336 PolarHBondContact O-N 3.07Å; R336-Y340 WeakPolarHBondContact O-CB 3.46Å; R336-Y340 PolarHBondContact O-N 2.69Å; R336-Y340 VanDerWaalsContact O-N 3.14Å; R336-D341 WeakPolarHBondContact CG-OD2 3.1Å; R336-D341 PolarHBondContact O-N 2.78Å
337	E	96	Very high	95.1	Very high	6 Å²	6	50.2 Å²	50.2	3%	0.028	22%	0.224	C	C	.	.	I	π-helix	trans	-72.8	-33.1	-170.1	-55.5	-161.5	-159.8	0	0	113.3	Y149 H150 H153 F181 R333 W334 R342	Y149-E337 HydrophobicContact CD2-CG 4.33Å; Y149-E337 HydrophobicContact CE2-CG 3.79Å; H150-E337 IonicContact CD2-OE2 3.1Å; H153-E337 IonicContact CE1-OE1 2.68Å; H153-E337 PolarHBondContact CE1-OE1 2.88Å; H153-E337 IonicContact CE1-OE2 2.83Å; H153-E337 PolarHBondContact CE1-OE2 2.96Å; H153-E337 IonicContact ND1-OE1 3.77Å; H153-E337 IonicContact ND1-OE2 3.91Å; H153-E337 PolarHBondContact ND1-OE2 2.97Å; F181-E337 WeakPolarHBondContact CE1-OE2 3.48Å; F181-E337 HydrophobicContact CZ-CB 4.39Å; F181-E337 HydrophobicContact CZ-CG 4.06Å; F181-E337 WeakPolarHBondContact CZ-OE1 3.27Å; F181-E337 VanDerWaalsContact CZ-OE2 3.31Å; F181-E337 WeakPolarHBondContact CZ-OE2 3.37Å; R333-E337 HydrophobicContact CG-CG 4.28Å; R333-E337 WeakPolarHBondContact CG-OE1 3.09Å; R333-E337 IonicContact CZ-OE1 3.4Å; R333-E337 IonicContact NE-OE1 3.04Å; R333-E337 PolarHBondContact NE-OE1 2.77Å; R333-E337 IonicContact NH2-OE1 2.81Å; R333-E337 WeakPolarHBondContact O-CG 3.45Å; R333-E337 PolarHBondContact O-N 2.88Å; W334-E337 PolarHBondContact O-N 3.45Å; E337-R342 PolarHBondContact O-NE 3.31Å
338	C	96.4	Very high	94.9	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.034	21%	0.212	C	C	.	.	I	π-helix	trans	-90.1	-22.2	-178.4	-65.6	0	0	0	0	113.3	F131 W334	F131-C338 HydrophobicContact CD2-CB 3.85Å; F131-C338 HydrophobicContact CE2-CB 3.93Å; W334-C338 VanDerWaalsContact O-CB 3.27Å; W334-C338 WeakPolarHBondContact O-CB 3.43Å; W334-C338 PolarHBondContact O-N 3.33Å
339	I	96.5	Very high	94.5	Very high	10 Å²	10	48.9 Å²	48.9	5%	0.051	22%	0.223	C	C	.	.	I	π-helix	trans	-129.1	-63	-170.2	-46.2	-174.8	0	0	0	111.9	L335 D341 R342 V343 A351 V352 A355	L335-I339 HydrophobicContact CD2-CD1 3.82Å; L335-I339 VanDerWaalsContact O-CB 3.29Å; L335-I339 WeakPolarHBondContact O-CB 3.38Å; L335-I339 PolarHBondContact O-N 2.9Å; I339-D341 VanDerWaalsContact C-N 3.28Å; I339-D341 PolarHBondContact O-N 3.26Å; I339-R342 PolarHBondContact O-N 3.24Å; I339-R342 VanDerWaalsContact O-N 3.15Å; I339-V343 HydrophobicContact CG2-CG2 4.2Å; I339-V343 WeakPolarHBondContact O-CB 3.43Å; I339-V343 WeakPolarHBondContact O-CG2 3.48Å; I339-V343 PolarHBondContact O-N 3.45Å; I339-V343 VanDerWaalsContact O-N 3.09Å; I339-A351 HydrophobicContact CG2-CB 3.78Å; I339-V352 HydrophobicContact CB-CG2 4.32Å; I339-V352 HydrophobicContact CG2-CG2 4.23Å; I339-A355 HydrophobicContact CD1-CB 3.13Å
340	Y	95.5	Very high	94.1	Very high	85 Å²	85	55.1 Å²	55.1	33%	0.333	24%	0.244	S	C	.	.	I	π-helix	trans	-58.4	-39.4	-172.8	-174.4	-96.2	0	0	0	113.3	L335 R336 K345 A348 V349 V352	L335-Y340 PolarHBondContact O-N 2.96Å; R336-Y340 WeakPolarHBondContact O-CB 3.46Å; R336-Y340 PolarHBondContact O-N 2.69Å; R336-Y340 VanDerWaalsContact O-N 3.14Å; Y340-K345 PolarHBondContact O-NZ 3.03Å; Y340-A348 HydrophobicContact CD2-CB 3.57Å; Y340-A348 HydrophobicContact CE2-CB 3.67Å; Y340-A348 HydrophobicContact CG-CB 4.2Å; Y340-V349 HydrophobicContact CE2-CG2 4.2Å; Y340-V352 HydrophobicContact CD2-CG2 4.15Å; Y340-V352 HydrophobicContact CG-CG2 4.47Å
341	D	96	Very high	94	Very high	13 Å²	13	55.9 Å²	55.9	7%	0.07	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-23.9	-178.2	-64.7	-35.3	0	0	0	113.3	Q147 Y149 H150 R336 I339 K345	Q147-D341 HydrophobicContact CG-CB 4.21Å; Y149-D341 PolarHBondContact OH-OD2 2.92Å; H150-D341 IonicContact NE2-OD2 3.24Å; R336-D341 WeakPolarHBondContact CG-OD2 3.1Å; R336-D341 PolarHBondContact O-N 2.78Å; I339-D341 VanDerWaalsContact C-N 3.28Å; I339-D341 PolarHBondContact O-N 3.26Å; D341-K345 IonicContact OD1-NZ 3.61Å; D341-K345 PolarHBondContact OD1-NZ 3.38Å
342	R	94.7	Very high	93.8	Very high	27 Å²	27	56.8 Å²	56.8	10%	0.102	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-7	-172	-58.7	-172.9	-173.7	-100.8	-6.3	114.4	F131 D135 E337 I339	F131-R342 VanDerWaalsContact CD1-CZ 3.43Å; F131-R342 VanDerWaalsContact CD1-NE 3.26Å; D135-R342 VanDerWaalsContact CG-NH2 3.31Å; D135-R342 IonicContact OD1-CZ 3.7Å; D135-R342 IonicContact OD1-NH1 3.84Å; D135-R342 PolarHBondContact OD1-NH1 3.03Å; D135-R342 IonicContact OD1-NH2 2.67Å; D135-R342 PolarHBondContact OD1-NH2 3.27Å; D135-R342 IonicContact OD2-CZ 4Å; D135-R342 IonicContact OD2-NH1 3.8Å; D135-R342 IonicContact OD2-NH2 2.98Å; D135-R342 PolarHBondContact OD2-NH2 2.96Å; E337-R342 PolarHBondContact O-NE 3.31Å; I339-R342 PolarHBondContact O-N 3.24Å; I339-R342 VanDerWaalsContact O-N 3.15Å
343	V	94.2	Very high	93.5	Very high	42 Å²	42	56.8 Å²	56.8	26%	0.255	25%	0.253	S	S	.	.	S	Bend	trans	-104.1	143.6	176.7	174.9	0	0	0	0	109.1	I339 K345 A351	I339-V343 HydrophobicContact CG2-CG2 4.2Å; I339-V343 WeakPolarHBondContact O-CB 3.43Å; I339-V343 WeakPolarHBondContact O-CG2 3.48Å; I339-V343 PolarHBondContact O-N 3.45Å; I339-V343 VanDerWaalsContact O-N 3.09Å; V343-K345 PolarHBondContact O-N 3.12Å; V343-A351 HydrophobicContact CB-CB 4.47Å; V343-A351 HydrophobicContact CG1-CB 4.1Å; V343-A351 HydrophobicContact CG2-CB 4.17Å
344	P	94.6	Very high	93.4	Very high	80 Å²	80	55.5 Å²	55.5	52%	0.519	26%	0.259	S	S	.	.			trans	-49.1	132.2	173.6	-29	35.5	0	0	0	111.9	R346 Y347 A348	P344-R346 HydrophobicContact CB-CG 4.32Å; P344-R346 PolarHBondContact O-N 2.86Å; P344-Y347 HydrophobicContact CB-CD2 4.28Å; P344-Y347 PolarHBondContact O-N 2.96Å; P344-A348 PolarHBondContact O-N 2.86Å
345	K	91.3	Very high	93.2	Very high	115 Å²	115	56.2 Å²	56.2	50%	0.5	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-27.9	-168.7	-64	-60	179.8	-169.4	0	114.5	Y340 D341 V343 Y347 A348	Y340-K345 PolarHBondContact O-NZ 3.03Å; D341-K345 IonicContact OD1-NZ 3.61Å; D341-K345 PolarHBondContact OD1-NZ 3.38Å; V343-K345 PolarHBondContact O-N 3.12Å; K345-Y347 PolarHBondContact O-N 3.45Å; K345-A348 PolarHBondContact O-N 3.16Å
346	R	91.6	Very high	93.1	Very high	190 Å²	190	56.1 Å²	56.1	72%	0.717	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-27	173.2	65.4	179.7	177.7	176.5	4.2	114.4	P344	P344-R346 HydrophobicContact CB-CG 4.32Å; P344-R346 PolarHBondContact O-N 2.86Å
347	Y	92.3	Very high	93	Very high	114 Å²	114	50.8 Å²	50.8	45%	0.447	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-9.5	-179	-54.3	-54.2	0	0	0	113.6	P344 K345 V349 W350 A351	P344-Y347 HydrophobicContact CB-CD2 4.28Å; P344-Y347 PolarHBondContact O-N 2.96Å; K345-Y347 PolarHBondContact O-N 3.45Å; Y347-V349 VanDerWaalsContact C-N 3.34Å; Y347-V349 PolarHBondContact O-N 3.4Å; Y347-W350 PolarHBondContact O-N 3.23Å; Y347-W350 VanDerWaalsContact O-N 3.1Å; Y347-A351 WeakPolarHBondContact O-CB 3.3Å; Y347-A351 PolarHBondContact O-N 3.32Å
348	A	91.3	Very high	93	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-56.7	-41.3	-168.1	0	0	0	0	0	113.9	Y340 P344 K345 V352	Y340-A348 HydrophobicContact CD2-CB 3.57Å; Y340-A348 HydrophobicContact CE2-CB 3.67Å; Y340-A348 HydrophobicContact CG-CB 4.2Å; P344-A348 PolarHBondContact O-N 2.86Å; K345-A348 PolarHBondContact O-N 3.16Å; A348-V352 VanDerWaalsContact O-CG2 3.31Å; A348-V352 WeakPolarHBondContact O-CG2 3.41Å; A348-V352 PolarHBondContact O-N 2.84Å
349	V	87	Confident	92.9	Very high	51 Å²	51	54.2 Å²	54.2	31%	0.309	26%	0.262	S	S	.	.	H	α-helix	trans	-66	-44.6	178.6	176.3	0	0	0	0	111.6	Y340 Y347 V352 F353	Y340-V349 HydrophobicContact CE2-CG2 4.2Å; Y347-V349 VanDerWaalsContact C-N 3.34Å; Y347-V349 PolarHBondContact O-N 3.4Å; V349-V352 PolarHBondContact O-N 2.54Å; V349-F353 HydrophobicContact CG1-CD2 3.81Å; V349-F353 HydrophobicContact CG1-CE2 3.45Å; V349-F353 VanDerWaalsContact CG1-CE2 3.45Å; V349-F353 HydrophobicContact CG1-CZ 4.27Å; V349-F353 WeakPolarHBondContact O-CD2 3.37Å; V349-F353 PolarHBondContact O-N 2.93Å
350	W	88	Confident	92.8	Very high	155 Å²	155	55.9 Å²	55.9	59%	0.587	27%	0.269	S	S	*	.	H	α-helix	trans	-66.8	-40.6	178.5	-70.8	112.1	0	0	0	111.8	Y347 V352 F353 A354 A374	Y347-W350 PolarHBondContact O-N 3.23Å; Y347-W350 VanDerWaalsContact O-N 3.1Å; W350-V352 VanDerWaalsContact C-N 3.35Å; W350-V352 PolarHBondContact O-N 2.8Å; W350-F353 PolarHBondContact O-N 2.85Å; W350-A354 WeakPolarHBondContact O-CB 3.36Å; W350-A354 PolarHBondContact O-N 3.15Å; W350-A374 HydrophobicContact CH2-CB 3.95Å; W350-A374 HydrophobicContact CZ3-CB 4.24Å
351	A	92.8	Very high	92.7	Very high	27 Å²	27	51.9 Å²	51.9	22%	0.223	25%	0.254	C	S	.	.	H	α-helix	trans	-61.1	-43.1	175.3	0	0	0	0	0	111.8	I339 V343 Y347 A354 A355	I339-A351 HydrophobicContact CG2-CB 3.78Å; V343-A351 HydrophobicContact CB-CB 4.47Å; V343-A351 HydrophobicContact CG1-CB 4.1Å; V343-A351 HydrophobicContact CG2-CB 4.17Å; Y347-A351 WeakPolarHBondContact O-CB 3.3Å; Y347-A351 PolarHBondContact O-N 3.32Å; A351-A354 PolarHBondContact O-N 3.03Å; A351-A355 VanDerWaalsContact O-CB 3.32Å; A351-A355 WeakPolarHBondContact O-CB 3.4Å; A351-A355 PolarHBondContact O-N 3.4Å
352	V	92.6	Very high	92.4	Very high	26 Å²	26	54.7 Å²	54.7	16%	0.158	27%	0.266	C	S	.	.	H	α-helix	trans	-61.5	-46.6	174.9	166.1	0	0	0	0	111.5	L335 I339 Y340 A348 V349 W350 S356	L335-V352 HydrophobicContact CB-CG1 4.16Å; L335-V352 HydrophobicContact CD1-CG1 4.16Å; I339-V352 HydrophobicContact CB-CG2 4.32Å; I339-V352 HydrophobicContact CG2-CG2 4.23Å; Y340-V352 HydrophobicContact CD2-CG2 4.15Å; Y340-V352 HydrophobicContact CG-CG2 4.47Å; A348-V352 VanDerWaalsContact O-CG2 3.31Å; A348-V352 WeakPolarHBondContact O-CG2 3.41Å; A348-V352 PolarHBondContact O-N 2.84Å; V349-V352 PolarHBondContact O-N 2.54Å; W350-V352 VanDerWaalsContact C-N 3.35Å; W350-V352 PolarHBondContact O-N 2.8Å; V352-S356 VanDerWaalsContact O-CB 3.22Å; V352-S356 WeakPolarHBondContact O-CB 3.47Å; V352-S356 PolarHBondContact O-N 3.34Å
353	F	89.6	Confident	92.3	Very high	38 Å²	38	55 Å²	55	17%	0.167	27%	0.267	C	S	.	.	H	α-helix	trans	-67	-39.7	179.4	-71.7	-41.2	0	0	0	112.9	V349 W350 S356 A357 F370 A374	V349-F353 HydrophobicContact CG1-CD2 3.81Å; V349-F353 HydrophobicContact CG1-CE2 3.45Å; V349-F353 VanDerWaalsContact CG1-CE2 3.45Å; V349-F353 HydrophobicContact CG1-CZ 4.27Å; V349-F353 WeakPolarHBondContact O-CD2 3.37Å; V349-F353 PolarHBondContact O-N 2.93Å; W350-F353 PolarHBondContact O-N 2.85Å; F353-S356 PolarHBondContact O-N 3.45Å; F353-A357 WeakPolarHBondContact O-CB 3.32Å; F353-A357 PolarHBondContact O-N 3.06Å; F353-F370 HydrophobicContact CD1-CD1 4Å; F353-A374 HydrophobicContact CD2-CB 4.44Å; F353-A374 HydrophobicContact CE2-CB 4.1Å
354	A	91.7	Very high	92.2	Very high	54 Å²	54	55.6 Å²	55.6	45%	0.446	27%	0.272	S	S	.	.	H	α-helix	trans	-62.3	-48.7	175.9	0	0	0	0	0	111.3	W350 A351 S356 A357 M358	W350-A354 WeakPolarHBondContact O-CB 3.36Å; W350-A354 PolarHBondContact O-N 3.15Å; A351-A354 PolarHBondContact O-N 3.03Å; A354-S356 VanDerWaalsContact C-N 3.34Å; A354-S356 PolarHBondContact O-N 3.27Å; A354-A357 PolarHBondContact O-N 3.43Å; A354-M358 WeakPolarHBondContact O-CG 3.42Å; A354-M358 PolarHBondContact O-N 3.37Å
355	A	94.5	Very high	92.2	Very high	15 Å²	15	51.8 Å²	51.8	12%	0.124	25%	0.247	C	C	.	.	H	α-helix	trans	-64.4	-39.1	177.4	0	0	0	0	0	112.4	M96 L335 I339 A351 W359	M96-A355 WeakPolarHBondContact CE-O 3.23Å; L335-A355 HydrophobicContact CD2-CB 4.26Å; I339-A355 HydrophobicContact CD1-CB 3.13Å; A351-A355 VanDerWaalsContact O-CB 3.32Å; A351-A355 WeakPolarHBondContact O-CB 3.4Å; A351-A355 PolarHBondContact O-N 3.4Å; A355-W359 VanDerWaalsContact O-CB 3.23Å; A355-W359 WeakPolarHBondContact O-CB 3.47Å; A355-W359 PolarHBondContact O-N 2.95Å
356	S	94.3	Very high	92.3	Very high	11 Å²	11	47.8 Å²	47.8	8%	0.077	23%	0.229	C	C	.	.	H	α-helix	trans	-63.7	-43.3	175.3	-165.2	0	0	0	0	111.6	V352 F353 A354 W359 H360 F370	V352-S356 VanDerWaalsContact O-CB 3.22Å; V352-S356 WeakPolarHBondContact O-CB 3.47Å; V352-S356 PolarHBondContact O-N 3.34Å; F353-S356 PolarHBondContact O-N 3.45Å; A354-S356 VanDerWaalsContact C-N 3.34Å; A354-S356 PolarHBondContact O-N 3.27Å; S356-W359 PolarHBondContact O-N 3.48Å; S356-H360 PolarHBondContact O-N 2.81Å; S356-H360 VanDerWaalsContact O-N 3.08Å; S356-H360 PolarHBondContact O-ND1 3.34Å; S356-F370 WeakPolarHBondContact OG-CE1 3.24Å; S356-F370 VanDerWaalsContact OG-CZ 3.32Å; S356-F370 WeakPolarHBondContact OG-CZ 3.33Å
357	A	93.2	Very high	92.4	Very high	3 Å²	3	42.2 Å²	42.2	3%	0.025	21%	0.209	C	C	.	.	H	α-helix	trans	-60	-50.9	176.3	0	0	0	0	0	111.9	F353 A354 W359 H360 G361 Y367 F370	F353-A357 WeakPolarHBondContact O-CB 3.32Å; F353-A357 PolarHBondContact O-N 3.06Å; A354-A357 PolarHBondContact O-N 3.43Å; A357-W359 VanDerWaalsContact C-N 3.28Å; A357-W359 PolarHBondContact O-N 2.7Å; A357-H360 PolarHBondContact O-N 3.49Å; A357-H360 VanDerWaalsContact O-N 3.17Å; A357-G361 PolarHBondContact O-N 2.9Å; A357-Y367 HydrophobicContact CB-CD1 4.01Å; A357-Y367 HydrophobicContact CB-CE1 3.9Å; A357-F370 VanDerWaalsContact CA-CE2 3.47Å; A357-F370 HydrophobicContact CB-CB 4.49Å; A357-F370 HydrophobicContact CB-CD2 3.48Å; A357-F370 VanDerWaalsContact CB-CD2 3.48Å; A357-F370 HydrophobicContact CB-CE2 3.99Å; A357-F370 HydrophobicContact CB-CG 4.18Å
358	M	94.3	Very high	92.5	Very high	71 Å²	71	39 Å²	39	35%	0.35	20%	0.199	S	C	.	.	H	α-helix	trans	-60.9	-36.9	177.8	-68.9	175.7	68.2	0	0	112.5	M96 A354 H360 G361	M96-M358 HydrophobicContact CE-CB 3.39Å; M96-M358 HydrophobicContact CE-CE 4.47Å; A354-M358 WeakPolarHBondContact O-CG 3.42Å; A354-M358 PolarHBondContact O-N 3.37Å; M358-H360 VanDerWaalsContact C-N 3.35Å; M358-G361 PolarHBondContact O-N 3.3Å
359	W	96	Very high	92.6	Very high	11 Å²	11	39.1 Å²	39.1	4%	0.042	20%	0.2	C	C	.	.	H	α-helix	trans	-65.8	-37.5	177.9	179.3	79.5	0	0	0	111.8	M96 L99 H103 M120 T331 W334 A355 S356 A357	M96-W359 HydrophobicContact CE-CB 4.19Å; M96-W359 HydrophobicContact SD-CB 4.41Å; L99-W359 HydrophobicContact CD2-CG 4.48Å; H103-W359 PolarHBondContact NE2-O 3.21Å; M120-W359 HydrophobicContact CB-CZ2 3.73Å; M120-W359 HydrophobicContact CE-CD2 3.49Å; M120-W359 VanDerWaalsContact CE-CD2 3.49Å; M120-W359 HydrophobicContact CE-CE3 3.36Å; M120-W359 HydrophobicContact CE-CG 4.34Å; M120-W359 HydrophobicContact CE-CH2 3.38Å; M120-W359 HydrophobicContact CE-CZ2 3.51Å; M120-W359 HydrophobicContact CE-CZ3 3.3Å; M120-W359 WeakPolarHBondContact CE-O 3.5Å; M120-W359 HydrophobicContact CG-CD2 4.41Å; M120-W359 HydrophobicContact CG-CZ2 4.34Å; M120-W359 PolarHBondContact O-NE1 3.32Å; T331-W359 HydrophobicContact CG2-CE3 4.24Å; T331-W359 HydrophobicContact CG2-CH2 3.86Å; T331-W359 HydrophobicContact CG2-CZ2 4.26Å; T331-W359 HydrophobicContact CG2-CZ3 3.86Å; W334-W359 HydrophobicContact CH2-CB 4.18Å; W334-W359 AromaticContact CH2-CD1 3.78Å; W334-W359 HydrophobicContact CH2-CG 4.01Å; W334-W359 HydrophobicContact CZ3-CB 4.28Å; W334-W359 AromaticContact CZ3-CD1 3.91Å; W334-W359 HydrophobicContact CZ3-CD2 4.26Å; W334-W359 AromaticContact CZ3-CG 3.9Å; W334-W359 HydrophobicContact CZ3-CG 3.9Å; A355-W359 VanDerWaalsContact O-CB 3.23Å; A355-W359 WeakPolarHBondContact O-CB 3.47Å; A355-W359 PolarHBondContact O-N 2.95Å; S356-W359 PolarHBondContact O-N 3.48Å; A357-W359 VanDerWaalsContact C-N 3.28Å; A357-W359 PolarHBondContact O-N 2.7Å
360	H	93.2	Very high	92.8	Very high	45 Å²	45	37.9 Å²	37.9	21%	0.208	19%	0.19	C	C	.	.	H	α-helix	trans	-72.8	-32.8	175	-72.9	87.9	0	0	0	113.3	H103 S356 A357 M358 Y366 F370 F420	H103-H360 PolarHBondContact CE1-O 3.36Å; S356-H360 PolarHBondContact O-N 2.81Å; S356-H360 VanDerWaalsContact O-N 3.08Å; S356-H360 PolarHBondContact O-ND1 3.34Å; A357-H360 PolarHBondContact O-N 3.49Å; A357-H360 VanDerWaalsContact O-N 3.17Å; M358-H360 VanDerWaalsContact C-N 3.35Å; H360-Y366 HydrophobicContact CB-CD2 3.91Å; H360-Y366 HydrophobicContact CB-CE2 4.15Å; H360-Y366 HydrophobicContact CB-CG 4.18Å; H360-Y366 VanDerWaalsContact O-CE2 3.3Å; H360-Y366 WeakPolarHBondContact O-CE2 3.26Å; H360-F370 AromaticContact CE1-CZ 3.67Å; H360-F370 AromaticContact ND1-CE2 3.78Å; H360-F370 AromaticContact ND1-CZ 3.5Å; H360-F420 AromaticContact CD2-CE1 3.71Å; H360-F420 AromaticContact NE2-CE1 3.99Å
361	G	92.7	Very high	92.9	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.01	19%	0.19	C	C	.	.			trans	135	-162	173.1	0	0	0	0	0	114.5	H103 A357 M358 Y367	H103-G361 VanDerWaalsContact CD2-CA 3.43Å; H103-G361 WeakPolarHBondContact CD2-CA 3.15Å; A357-G361 PolarHBondContact O-N 2.9Å; M358-G361 PolarHBondContact O-N 3.3Å; G361-Y367 WeakPolarHBondContact O-CE2 3.33Å; G361-Y367 PolarHBondContact O-OH 2.88Å
362	F	91.5	Very high	92.9	Very high	72 Å²	72	34.4 Å²	34.4	32%	0.316	18%	0.184	S	C	.	.	S	Bend	trans	-110.5	7.1	-171.6	-76.5	-97	0	0	0	114.5	S100 H103 I104 P364	S100-F362 WeakPolarHBondContact OG-CE2 3.33Å; H103-F362 HydrophobicContact CB-CD2 4.07Å; I104-F362 HydrophobicContact CD1-CD1 4.43Å; I104-F362 HydrophobicContact CD1-CD2 4.32Å; I104-F362 HydrophobicContact CD1-CE1 4.48Å; I104-F362 HydrophobicContact CD1-CE2 4.44Å; I104-F362 HydrophobicContact CD1-CG 4.34Å; I104-F362 HydrophobicContact CD1-CZ 4.49Å; I104-F362 HydrophobicContact CG1-CB 4.1Å; I104-F362 HydrophobicContact CG1-CD1 4.27Å; I104-F362 HydrophobicContact CG1-CD2 3.83Å; I104-F362 HydrophobicContact CG1-CE2 4.41Å; I104-F362 HydrophobicContact CG1-CG 3.77Å; F362-P364 WeakPolarHBondContact O-CD 3.37Å
363	Y	90.9	Very high	92.8	Very high	34 Å²	34	33.8 Å²	33.8	13%	0.133	18%	0.181	C	C	.	.			trans	-63.1	125.2	169	-73.4	-70.2	0	0	0	110.1	C107 G365 Y366 L423	C107-Y363 HydrophobicContact CB-CE1 4.33Å; C107-Y363 WeakPolarHBondContact SG-CE2 3.45Å; C107-Y363 VanDerWaalsContact SG-CZ 3.53Å; Y363-G365 PolarHBondContact O-N 3.09Å; Y363-G365 VanDerWaalsContact O-N 3.07Å; Y363-Y366 AromaticContact CD2-CE2 3.98Å; Y363-Y366 HydrophobicContact CD2-CE2 3.98Å; Y363-Y366 HydrophobicContact CG-CE2 4.47Å; Y363-Y366 PolarHBondContact O-N 2.62Å; Y363-Y366 VanDerWaalsContact O-N 3.08Å; Y363-L423 HydrophobicContact CD1-CB 3.88Å; Y363-L423 HydrophobicContact CD1-CD1 4.36Å; Y363-L423 HydrophobicContact CD2-CD1 4.36Å; Y363-L423 HydrophobicContact CD2-CD2 4.17Å; Y363-L423 HydrophobicContact CE1-CD1 4.35Å; Y363-L423 HydrophobicContact CE2-CD1 4.35Å; Y363-L423 HydrophobicContact CG-CB 3.99Å; Y363-L423 HydrophobicContact CG-CD1 4.37Å; Y363-L423 HydrophobicContact CG-CD2 4.12Å; Y363-L423 HydrophobicContact CG-CG 4.39Å
364	P	93	Very high	92.6	Very high	54 Å²	54	32.7 Å²	32.7	35%	0.351	18%	0.179	S	C	.	.	H	α-helix	trans	-55.4	-30.7	-175.5	-29.4	35.8	0	0	0	114.7	F362 Y366 Y367 L368 T425	F362-P364 WeakPolarHBondContact O-CD 3.37Å; P364-Y366 PolarHBondContact O-N 3.48Å; P364-Y367 PolarHBondContact O-N 2.87Å; P364-L368 WeakPolarHBondContact O-CG 3.37Å; P364-L368 PolarHBondContact O-N 3.17Å; P364-T425 WeakPolarHBondContact CB-OG1 3.47Å
365	G	93.8	Very high	92.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-57.9	-30.8	178.3	0	0	0	0	0	114	Y363 A369 S419 L423	Y363-G365 PolarHBondContact O-N 3.09Å; Y363-G365 VanDerWaalsContact O-N 3.07Å; G365-A369 PolarHBondContact O-N 3.05Å; G365-A369 VanDerWaalsContact O-N 3.11Å; G365-S419 VanDerWaalsContact O-CB 3.31Å; G365-S419 WeakPolarHBondContact O-CB 3.25Å; G365-S419 PolarHBondContact O-OG 3.46Å; G365-L423 WeakPolarHBondContact CA-O 3.44Å; G365-L423 PolarHBondContact N-O 2.84Å
366	Y	93.6	Very high	92.5	Very high	32 Å²	32	31.9 Å²	31.9	13%	0.125	17%	0.165	C	C	.	.	H	α-helix	trans	-67.3	-48.8	175	-59.7	-32.5	0	0	0	111.4	H360 Y363 P364 L368 A369 F370 F420 L423	H360-Y366 HydrophobicContact CB-CD2 3.91Å; H360-Y366 HydrophobicContact CB-CE2 4.15Å; H360-Y366 HydrophobicContact CB-CG 4.18Å; H360-Y366 VanDerWaalsContact O-CE2 3.3Å; H360-Y366 WeakPolarHBondContact O-CE2 3.26Å; Y363-Y366 AromaticContact CD2-CE2 3.98Å; Y363-Y366 HydrophobicContact CD2-CE2 3.98Å; Y363-Y366 HydrophobicContact CG-CE2 4.47Å; Y363-Y366 PolarHBondContact O-N 2.62Å; Y363-Y366 VanDerWaalsContact O-N 3.08Å; P364-Y366 PolarHBondContact O-N 3.48Å; Y366-L368 VanDerWaalsContact C-N 3.34Å; Y366-L368 PolarHBondContact O-N 2.82Å; Y366-A369 VanDerWaalsContact O-CB 3.26Å; Y366-A369 WeakPolarHBondContact O-CB 3.5Å; Y366-A369 PolarHBondContact O-N 2.91Å; Y366-A369 VanDerWaalsContact O-N 3.11Å; Y366-F370 WeakPolarHBondContact O-CD2 3.44Å; Y366-F370 PolarHBondContact O-N 3.25Å; Y366-F420 HydrophobicContact CD1-CB 4.33Å; Y366-F420 AromaticContact CD1-CD1 3.29Å; Y366-F420 HydrophobicContact CD1-CD1 3.29Å; Y366-F420 AromaticContact CD1-CE1 3.63Å; Y366-F420 HydrophobicContact CD1-CE1 3.63Å; Y366-F420 AromaticContact CD1-CG 3.82Å; Y366-F420 HydrophobicContact CD1-CG 3.82Å; Y366-F420 HydrophobicContact CD1-CZ 4.42Å; Y366-F420 HydrophobicContact CE1-CB 4.14Å; Y366-F420 AromaticContact CE1-CD1 3.42Å; Y366-F420 HydrophobicContact CE1-CD1 3.42Å; Y366-F420 VanDerWaalsContact CE1-CD1 3.42Å; Y366-F420 HydrophobicContact CE1-CE1 4.11Å; Y366-F420 HydrophobicContact CE1-CG 4.02Å; Y366-F420 HydrophobicContact CG-CD1 4.41Å; Y366-F420 HydrophobicContact CG-CE1 4.37Å; Y366-L423 HydrophobicContact CE1-CD2 3.68Å; Y366-L423 WeakPolarHBondContact OH-CD2 3.48Å
367	Y	94.4	Very high	92.2	Very high	73 Å²	73	32.7 Å²	32.7	29%	0.286	17%	0.17	S	C	.	.	H	α-helix	trans	-62.9	-43	-179.9	-64.6	-97	0	0	0	111.2	A357 G361 P364 A369 F370 V371	A357-Y367 HydrophobicContact CB-CD1 4.01Å; A357-Y367 HydrophobicContact CB-CE1 3.9Å; G361-Y367 WeakPolarHBondContact O-CE2 3.33Å; G361-Y367 PolarHBondContact O-OH 2.88Å; P364-Y367 PolarHBondContact O-N 2.87Å; Y367-A369 VanDerWaalsContact C-N 3.28Å; Y367-A369 PolarHBondContact O-N 3.05Å; Y367-F370 PolarHBondContact O-N 3Å; Y367-V371 WeakPolarHBondContact O-CB 3.38Å; Y367-V371 WeakPolarHBondContact O-CG2 3.19Å; Y367-V371 PolarHBondContact O-N 3.07Å
368	L	94.3	Very high	92.1	Very high	46 Å²	46	35.9 Å²	35.9	24%	0.241	19%	0.188	C	C	.	.	H	α-helix	trans	-56.9	-42	173.4	-73	177.8	0	0	0	111.8	P364 Y366 S372 T425 V428 W432	P364-L368 WeakPolarHBondContact O-CG 3.37Å; P364-L368 PolarHBondContact O-N 3.17Å; Y366-L368 VanDerWaalsContact C-N 3.34Å; Y366-L368 PolarHBondContact O-N 2.82Å; L368-S372 VanDerWaalsContact O-CB 3.3Å; L368-S372 WeakPolarHBondContact O-CB 3.36Å; L368-S372 PolarHBondContact O-N 2.73Å; L368-S372 PolarHBondContact O-OG 3.37Å; L368-T425 HydrophobicContact CD1-CG2 4.28Å; L368-V428 HydrophobicContact CD1-CB 4.11Å; L368-V428 HydrophobicContact CD1-CG1 3.83Å; L368-W432 HydrophobicContact CB-CH2 3.69Å; L368-W432 HydrophobicContact CB-CZ2 4.41Å; L368-W432 HydrophobicContact CB-CZ3 4.32Å; L368-W432 HydrophobicContact CD2-CH2 4.42Å; L368-W432 HydrophobicContact CD2-CZ3 4.28Å; L368-W432 HydrophobicContact CG-CH2 4.45Å
369	A	93.7	Very high	92	Very high	2 Å²	2	32.7 Å²	32.7	2%	0.017	17%	0.174	C	C	.	.	H	α-helix	trans	-62.7	-51.7	175.6	0	0	0	0	0	112	G365 Y366 Y367 S372 A373 S419 F420	G365-A369 PolarHBondContact O-N 3.05Å; G365-A369 VanDerWaalsContact O-N 3.11Å; Y366-A369 VanDerWaalsContact O-CB 3.26Å; Y366-A369 WeakPolarHBondContact O-CB 3.5Å; Y366-A369 PolarHBondContact O-N 2.91Å; Y366-A369 VanDerWaalsContact O-N 3.11Å; Y367-A369 VanDerWaalsContact C-N 3.28Å; Y367-A369 PolarHBondContact O-N 3.05Å; A369-S372 CarbonylContact O-C 3.18Å; A369-S372 PolarHBondContact O-N 3.09Å; A369-A373 WeakPolarHBondContact O-CB 3.28Å; A369-A373 PolarHBondContact O-N 3.45Å; A369-S419 WeakPolarHBondContact CB-OG 2.99Å; A369-F420 HydrophobicContact CB-CD2 3.74Å; A369-F420 HydrophobicContact CB-CE2 3.27Å; A369-F420 HydrophobicContact CB-CZ 4.15Å
370	F	91	Very high	91.8	Very high	26 Å²	26	33.7 Å²	33.7	11%	0.114	19%	0.188	C	C	.	.	H	α-helix	trans	-67.3	-40.5	-174	-77.1	-64.3	0	0	0	112.6	F353 S356 A357 H360 Y366 Y367 S372 A373 A374 F420	F353-F370 HydrophobicContact CD1-CD1 4Å; S356-F370 WeakPolarHBondContact OG-CE1 3.24Å; S356-F370 VanDerWaalsContact OG-CZ 3.32Å; S356-F370 WeakPolarHBondContact OG-CZ 3.33Å; A357-F370 VanDerWaalsContact CA-CE2 3.47Å; A357-F370 HydrophobicContact CB-CB 4.49Å; A357-F370 HydrophobicContact CB-CD2 3.48Å; A357-F370 VanDerWaalsContact CB-CD2 3.48Å; A357-F370 HydrophobicContact CB-CE2 3.99Å; A357-F370 HydrophobicContact CB-CG 4.18Å; H360-F370 AromaticContact CE1-CZ 3.67Å; H360-F370 AromaticContact ND1-CE2 3.78Å; H360-F370 AromaticContact ND1-CZ 3.5Å; Y366-F370 WeakPolarHBondContact O-CD2 3.44Å; Y366-F370 PolarHBondContact O-N 3.25Å; Y367-F370 PolarHBondContact O-N 3Å; F370-S372 VanDerWaalsContact C-N 3.29Å; F370-S372 PolarHBondContact O-N 3.24Å; F370-A373 WeakPolarHBondContact O-CB 3.28Å; F370-A373 PolarHBondContact O-N 2.94Å; F370-A374 PolarHBondContact O-N 3.42Å; F370-F420 HydrophobicContact CD2-CZ 4.31Å; F370-F420 HydrophobicContact CE1-CZ 4.32Å; F370-F420 HydrophobicContact CE2-CE1 4.09Å; F370-F420 AromaticContact CE2-CZ 3.6Å; F370-F420 HydrophobicContact CE2-CZ 3.6Å; F370-F420 HydrophobicContact CZ-CE1 4.2Å; F370-F420 AromaticContact CZ-CZ 3.62Å; F370-F420 HydrophobicContact CZ-CZ 3.62Å
371	V	90	Very high	91.7	Very high	97 Å²	97	39.2 Å²	39.2	59%	0.588	21%	0.206	S	C	*	.	H	α-helix	trans	-60.7	-43	173	172	0	0	0	0	110.3	Y367 A373 A374	Y367-V371 WeakPolarHBondContact O-CB 3.38Å; Y367-V371 WeakPolarHBondContact O-CG2 3.19Å; Y367-V371 PolarHBondContact O-N 3.07Å; V371-A373 PolarHBondContact O-N 3.39Å; V371-A374 WeakPolarHBondContact O-CB 3.34Å; V371-A374 PolarHBondContact O-N 3.15Å
372	S	92.4	Very high	91.7	Very high	12 Å²	12	40.2 Å²	40.2	8%	0.084	21%	0.212	C	C	.	.	H	α-helix	trans	-71.1	-29.8	178.7	-54.6	0	0	0	0	113	L368 A369 F370 A374 L375 I376 H440	L368-S372 VanDerWaalsContact O-CB 3.3Å; L368-S372 WeakPolarHBondContact O-CB 3.36Å; L368-S372 PolarHBondContact O-N 2.73Å; L368-S372 PolarHBondContact O-OG 3.37Å; A369-S372 CarbonylContact O-C 3.18Å; A369-S372 PolarHBondContact O-N 3.09Å; F370-S372 VanDerWaalsContact C-N 3.29Å; F370-S372 PolarHBondContact O-N 3.24Å; S372-A374 PolarHBondContact O-N 3.14Å; S372-L375 WeakPolarHBondContact O-CB 3.29Å; S372-L375 PolarHBondContact O-N 2.94Å; S372-I376 PolarHBondContact O-N 3.45Å; S372-H440 PolarHBondContact OG-NE2 3.24Å
373	A	90.1	Very high	91.7	Very high	13 Å²	13	37.8 Å²	37.8	11%	0.107	20%	0.204	C	C	.	.	H	α-helix	trans	-63	-31.4	176.3	0	0	0	0	0	112.2	A369 F370 V371 T377 L416	A369-A373 WeakPolarHBondContact O-CB 3.28Å; A369-A373 PolarHBondContact O-N 3.45Å; F370-A373 WeakPolarHBondContact O-CB 3.28Å; F370-A373 PolarHBondContact O-N 2.94Å; V371-A373 PolarHBondContact O-N 3.39Å; A373-T377 VanDerWaalsContact O-CB 3.3Å; A373-T377 WeakPolarHBondContact O-CB 3.39Å; A373-T377 PolarHBondContact O-N 3.25Å; A373-T377 PolarHBondContact O-OG1 3.11Å; A373-L416 HydrophobicContact CB-CD1 3.79Å
374	A	86	Confident	91.7	Very high	15 Å²	15	40.4 Å²	40.4	12%	0.124	21%	0.214	C	C	.	.	H	α-helix	trans	-61.6	-47.2	174	0	0	0	0	0	111.3	W350 F353 F370 V371 S372 I376 T377 V378	W350-A374 HydrophobicContact CH2-CB 3.95Å; W350-A374 HydrophobicContact CZ3-CB 4.24Å; F353-A374 HydrophobicContact CD2-CB 4.44Å; F353-A374 HydrophobicContact CE2-CB 4.1Å; F370-A374 PolarHBondContact O-N 3.42Å; V371-A374 WeakPolarHBondContact O-CB 3.34Å; V371-A374 PolarHBondContact O-N 3.15Å; S372-A374 PolarHBondContact O-N 3.14Å; A374-I376 PolarHBondContact O-N 2.97Å; A374-T377 PolarHBondContact O-N 2.91Å; A374-V378 WeakPolarHBondContact O-CG2 3.19Å; A374-V378 PolarHBondContact O-N 3.42Å
375	L	91.5	Very high	91.6	Very high	46 Å²	46	43.5 Å²	43.5	24%	0.241	22%	0.222	C	C	.	.	H	α-helix	trans	-58.2	-50.6	177	178.3	68.6	0	0	0	111.4	S372 T377 V378 A379 H440 P443 L444 I447	S372-L375 WeakPolarHBondContact O-CB 3.29Å; S372-L375 PolarHBondContact O-N 2.94Å; L375-T377 VanDerWaalsContact C-N 3.29Å; L375-T377 PolarHBondContact O-N 3.05Å; L375-V378 PolarHBondContact O-N 3.36Å; L375-A379 PolarHBondContact O-N 2.95Å; L375-H440 HydrophobicContact CD2-CB 4.22Å; L375-P443 HydrophobicContact CD2-CB 4.3Å; L375-P443 HydrophobicContact CG-CB 4.06Å; L375-L444 HydrophobicContact CD1-CD1 4.45Å; L375-I447 HydrophobicContact CD1-CD1 3.55Å; L375-I447 HydrophobicContact CG-CD1 4.45Å
376	I	92.6	Very high	91.5	Very high	6 Å²	6	45 Å²	45	3%	0.031	23%	0.228	C	C	.	.	H	α-helix	trans	-62.1	-37.1	178.8	-78.7	160.8	0	0	0	111.7	T320 S372 A374 A379 G380 C412 L416 P443	T320-I376 HydrophobicContact CG2-CG2 3.65Å; S372-I376 PolarHBondContact O-N 3.45Å; A374-I376 PolarHBondContact O-N 2.97Å; I376-A379 PolarHBondContact O-N 3.23Å; I376-G380 PolarHBondContact O-N 3.34Å; I376-C412 HydrophobicContact CD1-CB 3.83Å; I376-C412 HydrophobicContact CG1-CB 4.17Å; I376-C412 HydrophobicContact CG2-CB 3.84Å; I376-L416 HydrophobicContact CD1-CD1 3.54Å; I376-L416 HydrophobicContact CD1-CD2 3.96Å; I376-L416 HydrophobicContact CD1-CG 3.66Å; I376-P443 HydrophobicContact CG1-CB 4.34Å; I376-P443 HydrophobicContact CG1-CG 3.83Å
377	T	88.3	Confident	91.3	Very high	28 Å²	28	46 Å²	46	17%	0.172	24%	0.235	C	C	.	.	H	α-helix	trans	-64.8	-42.1	176.7	-61.3	0	0	0	0	111.5	A373 A374 L375 R381	A373-T377 VanDerWaalsContact O-CB 3.3Å; A373-T377 WeakPolarHBondContact O-CB 3.39Å; A373-T377 PolarHBondContact O-N 3.25Å; A373-T377 PolarHBondContact O-OG1 3.11Å; A374-T377 PolarHBondContact O-N 2.91Å; L375-T377 VanDerWaalsContact C-N 3.29Å; L375-T377 PolarHBondContact O-N 3.05Å; T377-R381 WeakPolarHBondContact O-CG 3.42Å; T377-R381 PolarHBondContact O-N 3.47Å
378	V	90.2	Very high	91.1	Very high	69 Å²	69	47.1 Å²	47.1	42%	0.418	24%	0.238	S	C	.	.	H	α-helix	trans	-65.2	-46.6	175.7	176.2	0	0	0	0	110.4	A374 L375 G380 R381 V382 I447	A374-V378 WeakPolarHBondContact O-CG2 3.19Å; A374-V378 PolarHBondContact O-N 3.42Å; L375-V378 PolarHBondContact O-N 3.36Å; V378-G380 VanDerWaalsContact C-N 3.33Å; V378-G380 PolarHBondContact O-N 3.49Å; V378-R381 WeakPolarHBondContact O-CB 3.25Å; V378-R381 PolarHBondContact O-N 3.07Å; V378-R381 VanDerWaalsContact O-N 3.07Å; V378-V382 HydrophobicContact CG1-CG2 4.46Å; V378-V382 WeakPolarHBondContact O-CG2 3.42Å; V378-V382 PolarHBondContact O-N 2.93Å; V378-I447 HydrophobicContact CB-CD1 4.02Å; V378-I447 HydrophobicContact CG1-CD1 3.81Å; V378-I447 HydrophobicContact CG1-CG1 4.09Å
379	A	93.2	Very high	90.9	Very high	5 Å²	5	47.2 Å²	47.2	4%	0.041	24%	0.242	C	C	.	.	H	α-helix	trans	-57.4	-45.2	177.2	0	0	0	0	0	112	L375 I376 R381 V382 C383 P443 I447	L375-A379 PolarHBondContact O-N 2.95Å; I376-A379 PolarHBondContact O-N 3.23Å; A379-R381 VanDerWaalsContact C-N 3.27Å; A379-R381 PolarHBondContact O-N 2.9Å; A379-V382 PolarHBondContact O-N 2.96Å; A379-V382 VanDerWaalsContact O-N 3.15Å; A379-C383 PolarHBondContact O-N 3.47Å; A379-C383 PolarHBondContact O-SG 2.85Å; A379-P443 HydrophobicContact CB-CB 3.65Å; A379-I447 HydrophobicContact CB-CD1 3.93Å; A379-I447 HydrophobicContact CB-CG1 3.82Å
380	G	92.5	Very high	90.5	Very high	32 Å²	32	49.2 Å²	49.2	33%	0.33	25%	0.249	S	C	.	.	H	α-helix	trans	-59.2	-35.2	176.4	0	0	0	0	0	113.7	I376 V378 R384	I376-G380 PolarHBondContact O-N 3.34Å; V378-G380 VanDerWaalsContact C-N 3.33Å; V378-G380 PolarHBondContact O-N 3.49Å; G380-R384 WeakPolarHBondContact O-CB 3.11Å; G380-R384 PolarHBondContact O-N 3.34Å
381	R	90.4	Very high	90.5	Very high	160 Å²	160	49.9 Å²	49.9	60%	0.604	25%	0.252	S	S	*	.	H	α-helix	trans	-69.8	-43.8	174.3	-68.8	178	-172.4	-179	3.1	111.8	T377 V378 A379 R384 K385	T377-R381 WeakPolarHBondContact O-CG 3.42Å; T377-R381 PolarHBondContact O-N 3.47Å; V378-R381 WeakPolarHBondContact O-CB 3.25Å; V378-R381 PolarHBondContact O-N 3.07Å; V378-R381 VanDerWaalsContact O-N 3.07Å; A379-R381 VanDerWaalsContact C-N 3.27Å; A379-R381 PolarHBondContact O-N 2.9Å; R381-R384 PolarHBondContact O-N 3.42Å; R381-K385 WeakPolarHBondContact O-CB 3.42Å; R381-K385 PolarHBondContact O-N 3.28Å
382	V	92.5	Very high	90.4	Very high	22 Å²	22	49.3 Å²	49.3	13%	0.133	25%	0.245	C	C	.	.	H	α-helix	trans	-61.7	-49.3	177.1	177	0	0	0	0	110.2	V378 A379 R384 K385 Y386 I447 L450 P451	V378-V382 HydrophobicContact CG1-CG2 4.46Å; V378-V382 WeakPolarHBondContact O-CG2 3.42Å; V378-V382 PolarHBondContact O-N 2.93Å; A379-V382 PolarHBondContact O-N 2.96Å; A379-V382 VanDerWaalsContact O-N 3.15Å; V382-R384 VanDerWaalsContact C-N 3.33Å; V382-R384 PolarHBondContact O-N 2.87Å; V382-K385 PolarHBondContact O-N 3.43Å; V382-K385 VanDerWaalsContact O-N 3.1Å; V382-Y386 HydrophobicContact CG1-CD2 3.7Å; V382-Y386 HydrophobicContact CG1-CE2 4.02Å; V382-Y386 WeakPolarHBondContact O-CD2 3.48Å; V382-Y386 PolarHBondContact O-N 2.99Å; V382-I447 HydrophobicContact CG2-CG1 4.36Å; V382-L450 HydrophobicContact CG1-CB 3.97Å; V382-L450 HydrophobicContact CG1-CD1 4.07Å; V382-P451 HydrophobicContact CG1-CG 4.25Å
383	C	91.9	Very high	90.1	Very high	22 Å²	22	57.6 Å²	57.6	15%	0.149	28%	0.275	C	S	.	.	H	α-helix	trans	-57.3	-45.4	175.9	-66.9	0	0	0	0	111.8	A379 K385 L387 R388 L450	A379-C383 PolarHBondContact O-N 3.47Å; A379-C383 PolarHBondContact O-SG 2.85Å; C383-K385 VanDerWaalsContact C-N 3.3Å; C383-K385 PolarHBondContact O-N 3.43Å; C383-L387 HydrophobicContact CB-CD1 4.23Å; C383-L387 WeakPolarHBondContact O-CA 3.44Å; C383-L387 VanDerWaalsContact O-CB 3.23Å; C383-L387 WeakPolarHBondContact O-CB 3.46Å; C383-L387 PolarHBondContact O-N 3.3Å; C383-R388 PolarHBondContact O-N 3.31Å; C383-L450 HydrophobicContact CB-CD1 4.38Å
384	R	90.8	Very high	90.2	Very high	89 Å²	89	59.6 Å²	59.6	34%	0.336	29%	0.288	S	S	.	.	H	α-helix	trans	-64.4	-34.4	178.1	-175.3	174.3	-70.8	-94.6	-1.8	112.6	G380 R381 V382 R388	G380-R384 WeakPolarHBondContact O-CB 3.11Å; G380-R384 PolarHBondContact O-N 3.34Å; R381-R384 PolarHBondContact O-N 3.42Å; V382-R384 VanDerWaalsContact C-N 3.33Å; V382-R384 PolarHBondContact O-N 2.87Å; R384-R388 HydrophobicContact CG-CB 4.5Å; R384-R388 WeakPolarHBondContact O-CB 3.45Å
385	K	90.8	Very high	90.4	Very high	118 Å²	118	64 Å²	64	51%	0.513	32%	0.318	S	S	.	.	H	α-helix	trans	-69.8	-51.6	177.6	-178.7	179.3	176.1	-172.8	0	111.2	R381 V382 C383 P457	R381-K385 WeakPolarHBondContact O-CB 3.42Å; R381-K385 PolarHBondContact O-N 3.28Å; V382-K385 PolarHBondContact O-N 3.43Å; V382-K385 VanDerWaalsContact O-N 3.1Å; C383-K385 VanDerWaalsContact C-N 3.3Å; C383-K385 PolarHBondContact O-N 3.43Å; K385-P457 HydrophobicContact CG-CB 4.44Å; K385-P457 HydrophobicContact CG-CG 4.18Å
386	Y	90.7	Very high	90.5	Very high	33 Å²	33	64 Å²	64	13%	0.129	33%	0.329	C	S	.	.	H	α-helix	trans	-90.6	-37	-170.9	-68.7	-78.1	0	0	0	113.9	V382 Y390 L450 P451 C454 P457	V382-Y386 HydrophobicContact CG1-CD2 3.7Å; V382-Y386 HydrophobicContact CG1-CE2 4.02Å; V382-Y386 WeakPolarHBondContact O-CD2 3.48Å; V382-Y386 PolarHBondContact O-N 2.99Å; Y386-Y390 WeakPolarHBondContact O-CD2 3.46Å; Y386-Y390 WeakPolarHBondContact O-CE2 3.42Å; Y386-L450 HydrophobicContact CD2-CB 4.3Å; Y386-L450 HydrophobicContact CG-CB 4.43Å; Y386-P451 HydrophobicContact CE2-CB 4.25Å; Y386-P451 HydrophobicContact CE2-CG 3.84Å; Y386-C454 HydrophobicContact CD1-CB 3.67Å; Y386-C454 HydrophobicContact CE1-CB 4.39Å; Y386-C454 HydrophobicContact CG-CB 4.38Å; Y386-P457 HydrophobicContact CD1-CB 4.49Å; Y386-P457 HydrophobicContact CD1-CG 4.31Å; Y386-P457 HydrophobicContact CE1-CG 4.12Å
387	L	90.4	Very high	90.5	Very high	52 Å²	52	67.1 Å²	67.1	27%	0.272	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-42.7	-173.9	-61.1	177.9	0	0	0	113.1	C383 P389 Y390 F391 Y401 L450	C383-L387 HydrophobicContact CB-CD1 4.23Å; C383-L387 WeakPolarHBondContact O-CA 3.44Å; C383-L387 VanDerWaalsContact O-CB 3.23Å; C383-L387 WeakPolarHBondContact O-CB 3.46Å; C383-L387 PolarHBondContact O-N 3.3Å; L387-P389 VanDerWaalsContact C-N 3.35Å; L387-Y390 WeakPolarHBondContact O-CD2 3.32Å; L387-Y390 PolarHBondContact O-N 3.4Å; L387-Y390 VanDerWaalsContact O-N 3.14Å; L387-F391 HydrophobicContact CB-CE2 4.39Å; L387-F391 VanDerWaalsContact O-CD2 3.24Å; L387-F391 WeakPolarHBondContact O-CD2 3.47Å; L387-Y401 HydrophobicContact CB-CE2 4.4Å; L387-L450 HydrophobicContact CD1-CD1 4.04Å; L387-L450 HydrophobicContact CD1-CD2 4.27Å; L387-L450 HydrophobicContact CD2-CD2 3.66Å; L387-L450 HydrophobicContact CG-CD1 4.04Å; L387-L450 HydrophobicContact CG-CD2 4.01Å
388	R	90.6	Very high	90.7	Very high	96 Å²	96	69 Å²	69	36%	0.362	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-50.1	-45	-172.9	-171.3	177.8	175.4	-130.1	0.5	114	C383 R384 Y390 F391 L392 Y401	C383-R388 PolarHBondContact O-N 3.31Å; R384-R388 HydrophobicContact CG-CB 4.5Å; R384-R388 WeakPolarHBondContact O-CB 3.45Å; R388-Y390 PolarHBondContact O-N 3.13Å; R388-Y390 VanDerWaalsContact O-N 3.17Å; R388-F391 PolarHBondContact O-N 2.76Å; R388-L392 HydrophobicContact CG-CD1 4.32Å; R388-L392 HydrophobicContact CG-CD2 4.34Å; R388-L392 HydrophobicContact CG-CG 4.35Å; R388-L392 WeakPolarHBondContact O-CG 3.47Å; R388-Y401 HydrophobicContact CB-CE1 4.28Å; R388-Y401 HydrophobicContact CB-CE2 4.22Å; R388-Y401 HydrophobicContact CG-CE1 3.89Å
389	P	89.1	Confident	90.9	Very high	49 Å²	49	69.2 Å²	69.2	32%	0.318	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-54.4	-35.9	-177.3	-27.6	36.9	0	0	0	114.2	L387 F391 L392	L387-P389 VanDerWaalsContact C-N 3.35Å; P389-F391 PolarHBondContact O-N 2.88Å; P389-L392 PolarHBondContact O-N 3.42Å
390	Y	86.4	Confident	91	Very high	43 Å²	43	74.7 Å²	74.7	17%	0.169	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-66.4	-23.7	-179.3	-61.7	-69	0	0	0	113.6	Y386 L387 R388 E459 I460	Y386-Y390 WeakPolarHBondContact O-CD2 3.46Å; Y386-Y390 WeakPolarHBondContact O-CE2 3.42Å; L387-Y390 WeakPolarHBondContact O-CD2 3.32Å; L387-Y390 PolarHBondContact O-N 3.4Å; L387-Y390 VanDerWaalsContact O-N 3.14Å; R388-Y390 PolarHBondContact O-N 3.13Å; R388-Y390 VanDerWaalsContact O-N 3.17Å; Y390-E459 PolarHBondContact OH-O 3.23Å; Y390-I460 HydrophobicContact CE1-CD1 4.04Å; Y390-I460 HydrophobicContact CE1-CG1 3.91Å
391	F	90.1	Very high	91	Very high	41 Å²	41	73.6 Å²	73.6	18%	0.18	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-99.8	2	-175.8	-62.7	-87.3	0	0	0	113.7	L387 R388 P389 L397 H398 F400 Y401	L387-F391 HydrophobicContact CB-CE2 4.39Å; L387-F391 VanDerWaalsContact O-CD2 3.24Å; L387-F391 WeakPolarHBondContact O-CD2 3.47Å; R388-F391 PolarHBondContact O-N 2.76Å; P389-F391 PolarHBondContact O-N 2.88Å; F391-L397 HydrophobicContact CB-CB 4.5Å; F391-L397 HydrophobicContact CD1-CB 4.42Å; F391-L397 HydrophobicContact CD1-CD2 4.41Å; F391-L397 CarbonylContact O-C 3.01Å; F391-H398 WeakPolarHBondContact O-CA 3.19Å; F391-H398 WeakPolarHBondContact O-CB 3.4Å; F391-H398 PolarHBondContact O-N 2.61Å; F391-F400 HydrophobicContact CD1-CD1 4.18Å; F391-F400 AromaticContact CE1-CD1 3.81Å; F391-F400 HydrophobicContact CE1-CD1 3.81Å; F391-F400 HydrophobicContact CE1-CE1 4.03Å; F391-Y401 VanDerWaalsContact CB-CB 3.44Å; F391-Y401 HydrophobicContact CB-CD2 3.95Å; F391-Y401 HydrophobicContact CB-CG 3.81Å; F391-Y401 HydrophobicContact CD1-CD2 4.44Å; F391-Y401 AromaticContact CD2-CD2 3.36Å; F391-Y401 HydrophobicContact CD2-CD2 3.36Å; F391-Y401 HydrophobicContact CD2-CE2 4.07Å; F391-Y401 HydrophobicContact CD2-CG 4.11Å; F391-Y401 AromaticContact CE2-CD2 3.93Å; F391-Y401 HydrophobicContact CE2-CD2 3.93Å; F391-Y401 AromaticContact CG-CD2 3.67Å; F391-Y401 HydrophobicContact CG-CD2 3.67Å; F391-Y401 AromaticContact CG-CG 3.95Å; F391-Y401 HydrophobicContact CG-CG 3.95Å
392	L	88.2	Confident	91.2	Very high	84 Å²	84	68.4 Å²	68.4	44%	0.44	35%	0.349	S	S	.	.	S	Bend	trans	-89.1	-3.7	-179.8	-61.9	178.8	0	0	0	113.7	R388 P389 S394	R388-L392 HydrophobicContact CG-CD1 4.32Å; R388-L392 HydrophobicContact CG-CD2 4.34Å; R388-L392 HydrophobicContact CG-CG 4.35Å; R388-L392 WeakPolarHBondContact O-CG 3.47Å; P389-L392 PolarHBondContact O-N 3.42Å; L392-S394 PolarHBondContact O-N 3.11Å
393	R	86.1	Confident	91.3	Very high	187 Å²	187	71.1 Å²	71.1	71%	0.706	37%	0.366	S	S	*	.	S	Bend	trans	-70.1	-30	-174.3	-64.8	-176	178.3	-174.5	-0	114	L397	R393-L397 HydrophobicContact CB-CD1 4.45Å
394	S	91	Very high	91.4	Very high	54 Å²	54	73.9 Å²	73.9	38%	0.378	38%	0.378	S	S	.	.	S	Bend	trans	-141.4	155.6	177.9	74.6	0	0	0	0	111.1	L392 G396 L397 H398	L392-S394 PolarHBondContact O-N 3.11Å; S394-G396 VanDerWaalsContact C-N 3.26Å; S394-G396 PolarHBondContact O-N 3.27Å; S394-L397 PolarHBondContact O-N 2.99Å; S394-L397 WeakPolarHBondContact OG-CB 3.26Å; S394-L397 WeakPolarHBondContact OG-CG 3.38Å; S394-L397 PolarHBondContact OG-N 2.75Å; S394-L397 VanDerWaalsContact OG-N 3.16Å; S394-H398 WeakPolarHBondContact O-CB 3.46Å; S394-H398 PolarHBondContact O-N 2.8Å
395	S	92	Very high	91.6	Very high	109 Å²	109	70.8 Å²	70.8	76%	0.762	37%	0.369	S	S	*	.	H	α-helix	trans	-58.6	-38.8	175.9	55	0	0	0	0	112	H398 C399	S395-H398 PolarHBondContact O-N 2.98Å; S395-C399 WeakPolarHBondContact O-CB 3.47Å; S395-C399 PolarHBondContact O-N 3.46Å
396	G	93.5	Very high	91.8	Very high	46 Å²	46	66.5 Å²	66.5	47%	0.474	35%	0.352	S	S	.	.	H	α-helix	trans	-63.6	-48.1	177	0	0	0	0	0	113	S394 H398 C399 F400	S394-G396 VanDerWaalsContact C-N 3.26Å; S394-G396 PolarHBondContact O-N 3.27Å; G396-H398 VanDerWaalsContact C-N 3.31Å; G396-H398 PolarHBondContact O-N 3.36Å; G396-C399 PolarHBondContact O-N 3.43Å; G396-F400 PolarHBondContact O-N 3.02Å
397	L	92.5	Very high	92	Very high	71 Å²	71	69 Å²	69	37%	0.372	37%	0.367	S	S	.	.	H	α-helix	trans	-64	-38.4	176	-73.2	172.1	0	0	0	111.7	F391 R393 S394 F400 Y401	F391-L397 HydrophobicContact CB-CB 4.5Å; F391-L397 HydrophobicContact CD1-CB 4.42Å; F391-L397 HydrophobicContact CD1-CD2 4.41Å; F391-L397 CarbonylContact O-C 3.01Å; R393-L397 HydrophobicContact CB-CD1 4.45Å; S394-L397 PolarHBondContact O-N 2.99Å; S394-L397 WeakPolarHBondContact OG-CB 3.26Å; S394-L397 WeakPolarHBondContact OG-CG 3.38Å; S394-L397 PolarHBondContact OG-N 2.75Å; S394-L397 VanDerWaalsContact OG-N 3.16Å; L397-F400 PolarHBondContact O-N 3.18Å; L397-Y401 WeakPolarHBondContact O-CB 3.19Å; L397-Y401 PolarHBondContact O-N 2.96Å
398	H	92.4	Very high	92.2	Very high	67 Å²	67	69.2 Å²	69.2	31%	0.31	37%	0.373	S	S	.	.	H	α-helix	trans	-66.4	-41.2	178	-176.2	-151.9	0	0	0	111.2	F391 S394 S395 G396 Y401 N402	F391-H398 WeakPolarHBondContact O-CA 3.19Å; F391-H398 WeakPolarHBondContact O-CB 3.4Å; F391-H398 PolarHBondContact O-N 2.61Å; S394-H398 WeakPolarHBondContact O-CB 3.46Å; S394-H398 PolarHBondContact O-N 2.8Å; S395-H398 PolarHBondContact O-N 2.98Å; G396-H398 VanDerWaalsContact C-N 3.31Å; G396-H398 PolarHBondContact O-N 3.36Å; H398-Y401 PolarHBondContact O-N 2.97Å; H398-N402 PolarHBondContact NE2-ND2 2.94Å; H398-N402 VanDerWaalsContact O-CG 3.23Å; H398-N402 PolarHBondContact O-N 3.32Å; H398-N402 PolarHBondContact O-ND2 2.93Å
399	C	93.9	Very high	92.4	Very high	73 Å²	73	65 Å²	65	49%	0.493	36%	0.358	S	S	.	.	H	α-helix	trans	-61.3	-48.7	173.4	-175.2	0	0	0	0	111.3	S395 G396 Y401 N402 V403	S395-C399 WeakPolarHBondContact O-CB 3.47Å; S395-C399 PolarHBondContact O-N 3.46Å; G396-C399 PolarHBondContact O-N 3.43Å; C399-Y401 VanDerWaalsContact C-N 3.32Å; C399-Y401 PolarHBondContact O-N 3.37Å; C399-N402 WeakPolarHBondContact O-CB 3.37Å; C399-N402 PolarHBondContact O-N 3.4Å; C399-N402 VanDerWaalsContact O-N 3.07Å; C399-V403 PolarHBondContact O-N 2.78Å
400	F	94.4	Very high	92.7	Very high	120 Å²	120	63.5 Å²	63.5	53%	0.526	35%	0.347	S	S	.	.	H	α-helix	trans	-56.4	-45.7	176.4	176.5	-103	0	0	0	111.9	F391 G396 L397 N402 V403 L404	F391-F400 HydrophobicContact CD1-CD1 4.18Å; F391-F400 AromaticContact CE1-CD1 3.81Å; F391-F400 HydrophobicContact CE1-CD1 3.81Å; F391-F400 HydrophobicContact CE1-CE1 4.03Å; G396-F400 PolarHBondContact O-N 3.02Å; L397-F400 PolarHBondContact O-N 3.18Å; F400-N402 VanDerWaalsContact C-N 3.34Å; F400-N402 PolarHBondContact O-N 3.12Å; F400-V403 PolarHBondContact O-N 3.38Å; F400-L404 HydrophobicContact CE1-CD2 4.27Å; F400-L404 WeakPolarHBondContact O-CB 3.22Å; F400-L404 PolarHBondContact O-N 2.9Å
401	Y	93.8	Very high	93.1	Very high	9 Å²	9	63.2 Å²	63.2	4%	0.035	35%	0.348	C	S	.	.	H	α-helix	trans	-60.3	-41.9	174.9	177	-93.8	0	0	0	112.5	L387 R388 F391 L397 H398 C399 L404 T405	L387-Y401 HydrophobicContact CB-CE2 4.4Å; R388-Y401 HydrophobicContact CB-CE1 4.28Å; R388-Y401 HydrophobicContact CB-CE2 4.22Å; R388-Y401 HydrophobicContact CG-CE1 3.89Å; F391-Y401 VanDerWaalsContact CB-CB 3.44Å; F391-Y401 HydrophobicContact CB-CD2 3.95Å; F391-Y401 HydrophobicContact CB-CG 3.81Å; F391-Y401 HydrophobicContact CD1-CD2 4.44Å; F391-Y401 AromaticContact CD2-CD2 3.36Å; F391-Y401 HydrophobicContact CD2-CD2 3.36Å; F391-Y401 HydrophobicContact CD2-CE2 4.07Å; F391-Y401 HydrophobicContact CD2-CG 4.11Å; F391-Y401 AromaticContact CE2-CD2 3.93Å; F391-Y401 HydrophobicContact CE2-CD2 3.93Å; F391-Y401 AromaticContact CG-CD2 3.67Å; F391-Y401 HydrophobicContact CG-CD2 3.67Å; F391-Y401 AromaticContact CG-CG 3.95Å; F391-Y401 HydrophobicContact CG-CG 3.95Å; L397-Y401 WeakPolarHBondContact O-CB 3.19Å; L397-Y401 PolarHBondContact O-N 2.96Å; H398-Y401 PolarHBondContact O-N 2.97Å; C399-Y401 VanDerWaalsContact C-N 3.32Å; C399-Y401 PolarHBondContact O-N 3.37Å; Y401-L404 PolarHBondContact O-N 3.13Å; Y401-T405 HydrophobicContact CD1-CG2 4.17Å; Y401-T405 HydrophobicContact CD2-CG2 4.04Å; Y401-T405 HydrophobicContact CE1-CG2 3.75Å; Y401-T405 HydrophobicContact CE2-CG2 3.64Å; Y401-T405 HydrophobicContact CG-CG2 4.29Å; Y401-T405 VanDerWaalsContact CZ-CG2 3.47Å; Y401-T405 WeakPolarHBondContact O-CB 3.28Å; Y401-T405 WeakPolarHBondContact O-CG2 3.25Å; Y401-T405 PolarHBondContact O-N 3.44Å; Y401-T405 PolarHBondContact O-OG1 2.91Å
402	N	93.7	Very high	93.4	Very high	51 Å²	51	62.6 Å²	62.6	27%	0.273	35%	0.349	S	S	.	.	H	α-helix	trans	-63.4	-43	177.6	-72.3	-24	0	0	0	111.7	T318 H398 C399 F400 T405 N406	T318-N402 HydrophobicContact CG2-CB 3.8Å; H398-N402 PolarHBondContact NE2-ND2 2.94Å; H398-N402 VanDerWaalsContact O-CG 3.23Å; H398-N402 PolarHBondContact O-N 3.32Å; H398-N402 PolarHBondContact O-ND2 2.93Å; C399-N402 WeakPolarHBondContact O-CB 3.37Å; C399-N402 PolarHBondContact O-N 3.4Å; C399-N402 VanDerWaalsContact O-N 3.07Å; F400-N402 VanDerWaalsContact C-N 3.34Å; F400-N402 PolarHBondContact O-N 3.12Å; N402-T405 PolarHBondContact O-OG1 3.28Å; N402-N406 VanDerWaalsContact O-CB 3.23Å; N402-N406 WeakPolarHBondContact O-CB 3.07Å; N402-N406 PolarHBondContact O-N 2.83Å
403	V	95.1	Very high	93.7	Very high	79 Å²	79	60.2 Å²	60.2	48%	0.479	34%	0.336	S	S	.	.	H	α-helix	trans	-63.2	-49.1	175.4	174.4	0	0	0	0	111	C399 F400 T405 N406 I407	C399-V403 PolarHBondContact O-N 2.78Å; F400-V403 PolarHBondContact O-N 3.38Å; V403-T405 PolarHBondContact O-N 3.03Å; V403-N406 PolarHBondContact O-N 3.36Å; V403-I407 HydrophobicContact CG1-CD1 3.83Å; V403-I407 WeakPolarHBondContact O-CG1 3.41Å; V403-I407 PolarHBondContact O-N 2.95Å
404	L	94.6	Very high	94.2	Very high	80 Å²	80	51.4 Å²	51.4	42%	0.419	30%	0.303	S	S	.	.	H	α-helix	trans	-62.6	-43.4	-178.7	-179.5	62.4	0	0	0	112.4	F400 Y401 S408	F400-L404 HydrophobicContact CE1-CD2 4.27Å; F400-L404 WeakPolarHBondContact O-CB 3.22Å; F400-L404 PolarHBondContact O-N 2.9Å; Y401-L404 PolarHBondContact O-N 3.13Å; L404-S408 VanDerWaalsContact O-CB 3.26Å; L404-S408 WeakPolarHBondContact O-CB 3.33Å; L404-S408 PolarHBondContact O-N 2.83Å; L404-S408 PolarHBondContact O-OG 2.87Å
405	T	94.4	Very high	94.5	Very high	24 Å²	24	49.1 Å²	49.1	15%	0.147	29%	0.286	C	S	.	.	H	α-helix	trans	-72.3	-32.9	179.1	52.6	0	0	0	0	112.6	T318 Y401 N402 V403 A409	T318-T405 VanDerWaalsContact O-CB 3.31Å; T318-T405 WeakPolarHBondContact O-CB 3.38Å; T318-T405 PolarHBondContact O-OG1 3.19Å; Y401-T405 HydrophobicContact CD1-CG2 4.17Å; Y401-T405 HydrophobicContact CD2-CG2 4.04Å; Y401-T405 HydrophobicContact CE1-CG2 3.75Å; Y401-T405 HydrophobicContact CE2-CG2 3.64Å; Y401-T405 HydrophobicContact CG-CG2 4.29Å; Y401-T405 VanDerWaalsContact CZ-CG2 3.47Å; Y401-T405 WeakPolarHBondContact O-CB 3.28Å; Y401-T405 WeakPolarHBondContact O-CG2 3.25Å; Y401-T405 PolarHBondContact O-N 3.44Å; Y401-T405 PolarHBondContact O-OG1 2.91Å; N402-T405 PolarHBondContact O-OG1 3.28Å; V403-T405 PolarHBondContact O-N 3.03Å; T405-A409 WeakPolarHBondContact O-CB 3.45Å; T405-A409 PolarHBondContact O-N 3.01Å
406	N	95.4	Very high	94.6	Very high	29 Å²	29	44.3 Å²	44.3	16%	0.155	25%	0.252	C	S	.	.	H	α-helix	trans	-62.5	-54.2	170.3	168.8	-104.4	0	0	0	111.5	E315 L316 G317 N402 V403 S408 A409 M410	E315-N406 PolarHBondContact O-ND2 2.84Å; L316-N406 VanDerWaalsContact CA-ND2 3.33Å; L316-N406 WeakPolarHBondContact CA-ND2 3.38Å; G317-N406 PolarHBondContact N-ND2 3.11Å; G317-N406 WeakPolarHBondContact O-CA 3.41Å; G317-N406 PolarHBondContact O-ND2 3.15Å; N402-N406 VanDerWaalsContact O-CB 3.23Å; N402-N406 WeakPolarHBondContact O-CB 3.07Å; N402-N406 PolarHBondContact O-N 2.83Å; V403-N406 PolarHBondContact O-N 3.36Å; N406-S408 VanDerWaalsContact C-N 3.28Å; N406-S408 PolarHBondContact O-N 3.27Å; N406-A409 PolarHBondContact O-N 3.02Å; N406-M410 WeakPolarHBondContact O-CB 3.26Å; N406-M410 PolarHBondContact O-N 3.23Å
407	I	95	Very high	94.7	Very high	86 Å²	86	43.2 Å²	43.2	44%	0.441	24%	0.241	S	C	.	.	H	α-helix	trans	-55.9	-47.5	179	-68.5	169	0	0	0	109.9	V403 M410 L411	V403-I407 HydrophobicContact CG1-CD1 3.83Å; V403-I407 WeakPolarHBondContact O-CG1 3.41Å; V403-I407 PolarHBondContact O-N 2.95Å; I407-M410 PolarHBondContact O-N 3.39Å; I407-L411 HydrophobicContact CG2-CD1 3.83Å; I407-L411 HydrophobicContact CG2-CG 4.26Å; I407-L411 WeakPolarHBondContact O-CB 3.39Å; I407-L411 VanDerWaalsContact O-CG 3.24Å; I407-L411 WeakPolarHBondContact O-CG 3.4Å; I407-L411 PolarHBondContact O-N 3.04Å
408	S	94.6	Very high	94.9	Very high	55 Å²	55	39.9 Å²	39.9	39%	0.385	22%	0.224	S	C	.	.	H	α-helix	trans	-63.4	-44.7	-179.2	-61.1	0	0	0	0	112.5	L404 N406 C412	L404-S408 VanDerWaalsContact O-CB 3.26Å; L404-S408 WeakPolarHBondContact O-CB 3.33Å; L404-S408 PolarHBondContact O-N 2.83Å; L404-S408 PolarHBondContact O-OG 2.87Å; N406-S408 VanDerWaalsContact C-N 3.28Å; N406-S408 PolarHBondContact O-N 3.27Å; S408-C412 WeakPolarHBondContact O-CB 3.35Å; S408-C412 PolarHBondContact O-N 3.25Å; S408-C412 PolarHBondContact O-SG 3.04Å
409	A	94.8	Very high	95	Very high	7 Å²	7	36.7 Å²	36.7	6%	0.058	21%	0.209	C	C	.	.	H	α-helix	trans	-64.4	-43.2	177.4	0	0	0	0	0	111.8	T320 I323 T405 N406 C412 L413	T320-A409 HydrophobicContact CG2-CB 3.87Å; I323-A409 HydrophobicContact CD1-CB 3.8Å; T405-A409 WeakPolarHBondContact O-CB 3.45Å; T405-A409 PolarHBondContact O-N 3.01Å; N406-A409 PolarHBondContact O-N 3.02Å; A409-C412 PolarHBondContact O-N 3.16Å; A409-L413 WeakPolarHBondContact O-CG 3.4Å; A409-L413 PolarHBondContact O-N 2.88Å
410	M	95.1	Very high	95	Very high	18 Å²	18	36.4 Å²	36.4	9%	0.089	20%	0.199	C	C	.	.	H	α-helix	trans	-65.8	-42.8	178.4	-173	56.2	70	0	0	111.7	I314 I323 N406 I407 C412 L413 N414	I314-M410 WeakPolarHBondContact O-CE 3.33Å; I323-M410 HydrophobicContact CD1-CE 4.28Å; N406-M410 WeakPolarHBondContact O-CB 3.26Å; N406-M410 PolarHBondContact O-N 3.23Å; I407-M410 PolarHBondContact O-N 3.39Å; M410-C412 PolarHBondContact O-N 3.42Å; M410-L413 PolarHBondContact O-N 2.89Å; M410-N414 VanDerWaalsContact O-CB 3.29Å; M410-N414 WeakPolarHBondContact O-CB 3.29Å; M410-N414 PolarHBondContact O-N 3.22Å; M410-N414 PolarHBondContact O-ND2 3.41Å
411	L	95.4	Very high	94.9	Very high	37 Å²	37	32.4 Å²	32.4	19%	0.194	18%	0.184	C	C	.	.	H	α-helix	trans	-61.9	-43.8	175	-73.1	177.1	0	0	0	111.9	F260 S264 I407 N414 Y415	F260-L411 HydrophobicContact CB-CD2 3.94Å; F260-L411 HydrophobicContact CD1-CD1 4.25Å; F260-L411 HydrophobicContact CD1-CD2 3.79Å; F260-L411 HydrophobicContact CG-CD1 4.35Å; F260-L411 HydrophobicContact CG-CD2 4.14Å; S264-L411 WeakPolarHBondContact OG-CD2 3.41Å; I407-L411 HydrophobicContact CG2-CD1 3.83Å; I407-L411 HydrophobicContact CG2-CG 4.26Å; I407-L411 WeakPolarHBondContact O-CB 3.39Å; I407-L411 VanDerWaalsContact O-CG 3.24Å; I407-L411 WeakPolarHBondContact O-CG 3.4Å; I407-L411 PolarHBondContact O-N 3.04Å; L411-N414 PolarHBondContact O-N 2.95Å; L411-Y415 WeakPolarHBondContact O-CB 3.18Å; L411-Y415 PolarHBondContact O-N 2.9Å
412	C	95.4	Very high	95	Very high	28 Å²	28	32.4 Å²	32.4	19%	0.189	18%	0.184	C	C	.	.	H	α-helix	trans	-60.5	-47.6	175.8	-70.1	0	0	0	0	111.4	I376 S408 A409 M410 Y415 L416	I376-C412 HydrophobicContact CD1-CB 3.83Å; I376-C412 HydrophobicContact CG1-CB 4.17Å; I376-C412 HydrophobicContact CG2-CB 3.84Å; S408-C412 WeakPolarHBondContact O-CB 3.35Å; S408-C412 PolarHBondContact O-N 3.25Å; S408-C412 PolarHBondContact O-SG 3.04Å; A409-C412 PolarHBondContact O-N 3.16Å; M410-C412 PolarHBondContact O-N 3.42Å; C412-Y415 PolarHBondContact O-N 2.98Å; C412-L416 WeakPolarHBondContact O-CG 3.5Å; C412-L416 PolarHBondContact O-N 3.35Å
413	L	94.9	Very high	94.9	Very high	34 Å²	34	32.1 Å²	32.1	18%	0.178	18%	0.182	C	C	.	.	H	α-helix	trans	-70.1	-35.9	-179.3	-69.5	176.9	0	0	0	112.8	T320 I323 I324 A409 M410 L416 G417	T320-L413 HydrophobicContact CG2-CD1 4.31Å; T320-L413 HydrophobicContact CG2-CD2 4.28Å; T320-L413 HydrophobicContact CG2-CG 4.02Å; I323-L413 HydrophobicContact CB-CD1 3.65Å; I323-L413 HydrophobicContact CD1-CD1 3.82Å; I323-L413 HydrophobicContact CG1-CD1 4.34Å; I323-L413 HydrophobicContact CG2-CD1 3.41Å; I323-L413 VanDerWaalsContact CG2-CD1 3.41Å; I324-L413 HydrophobicContact CD1-CD2 4.1Å; I324-L413 HydrophobicContact CG1-CD1 4.49Å; I324-L413 HydrophobicContact CG1-CD2 4.29Å; A409-L413 WeakPolarHBondContact O-CG 3.4Å; A409-L413 PolarHBondContact O-N 2.88Å; M410-L413 PolarHBondContact O-N 2.89Å; L413-L416 PolarHBondContact O-N 2.87Å; L413-G417 WeakPolarHBondContact O-CA 3.32Å; L413-G417 PolarHBondContact O-N 3.05Å
414	N	96.5	Very high	94.8	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.016	17%	0.172	C	C	.	.	H	α-helix	trans	-65.9	-43.9	173.5	-72	-21.9	0	0	0	111.1	L263 C267 R271 M410 L411 L416 G417 V418	L263-N414 HydrophobicContact CD1-CB 4.23Å; L263-N414 HydrophobicContact CD2-CB 4.22Å; L263-N414 HydrophobicContact CG-CB 3.9Å; C267-N414 HydrophobicContact CB-CB 3.89Å; C267-N414 VanDerWaalsContact CB-CG 3.48Å; C267-N414 VanDerWaalsContact CB-OD1 3.25Å; C267-N414 WeakPolarHBondContact CB-OD1 3.01Å; R271-N414 PolarHBondContact NH1-OD1 3.39Å; M410-N414 VanDerWaalsContact O-CB 3.29Å; M410-N414 WeakPolarHBondContact O-CB 3.29Å; M410-N414 PolarHBondContact O-N 3.22Å; M410-N414 PolarHBondContact O-ND2 3.41Å; L411-N414 PolarHBondContact O-N 2.95Å; N414-L416 VanDerWaalsContact C-N 3.29Å; N414-L416 PolarHBondContact O-N 3.45Å; N414-G417 PolarHBondContact O-N 3.29Å; N414-V418 WeakPolarHBondContact O-CG2 3.06Å; N414-V418 PolarHBondContact O-N 2.9Å
415	Y	96.4	Very high	94.8	Very high	5 Å²	5	29.3 Å²	29.3	2%	0.02	17%	0.169	C	C	.	.	H	α-helix	trans	-57.1	-42.7	175.9	174.2	-96.2	0	0	0	112.1	L411 C412 F431 W432 M435 H440	L411-Y415 WeakPolarHBondContact O-CB 3.18Å; L411-Y415 PolarHBondContact O-N 2.9Å; C412-Y415 PolarHBondContact O-N 2.98Å; Y415-F431 AromaticContact CD2-CE1 3.83Å; Y415-F431 HydrophobicContact CD2-CE1 3.83Å; Y415-F431 HydrophobicContact CD2-CZ 4.11Å; Y415-F431 HydrophobicContact CE2-CE1 4.01Å; Y415-W432 AromaticContact CE1-CD1 3.97Å; Y415-W432 AromaticContact CE1-NE1 3.73Å; Y415-W432 AromaticContact CE2-CD1 3.53Å; Y415-W432 HydrophobicContact CE2-CG 4.3Å; Y415-W432 AromaticContact CZ-CD1 3.27Å; Y415-W432 AromaticContact CZ-CG 3.78Å; Y415-W432 AromaticContact CZ-NE1 3.54Å; Y415-W432 WeakPolarHBondContact OH-CB 3.21Å; Y415-M435 HydrophobicContact CD2-CB 4.44Å; Y415-M435 HydrophobicContact CD2-CG 4.42Å; Y415-M435 HydrophobicContact CE2-CB 3.83Å; Y415-M435 HydrophobicContact CE2-CG 4.19Å; Y415-H440 AromaticContact CE1-CE1 3.5Å; Y415-H440 AromaticContact CE1-ND1 3.64Å; Y415-H440 AromaticContact CZ-CE1 3.83Å; Y415-H440 AromaticContact CZ-ND1 3.78Å; Y415-H440 PolarHBondContact OH-CE1 3.27Å; Y415-H440 VanDerWaalsContact OH-CE1 3.25Å; Y415-H440 PolarHBondContact OH-ND1 3.46Å
416	L	95.3	Very high	94.9	Very high	8 Å²	8	33.2 Å²	33.2	4%	0.042	19%	0.189	C	C	.	.	H	α-helix	trans	-71.8	-38	172.1	-63.8	-170.6	0	0	0	112.5	A373 I376 C412 L413 N414 V418 S419	A373-L416 HydrophobicContact CB-CD1 3.79Å; I376-L416 HydrophobicContact CD1-CD1 3.54Å; I376-L416 HydrophobicContact CD1-CD2 3.96Å; I376-L416 HydrophobicContact CD1-CG 3.66Å; C412-L416 WeakPolarHBondContact O-CG 3.5Å; C412-L416 PolarHBondContact O-N 3.35Å; L413-L416 PolarHBondContact O-N 2.87Å; N414-L416 VanDerWaalsContact C-N 3.29Å; N414-L416 PolarHBondContact O-N 3.45Å; L416-V418 PolarHBondContact O-N 3.47Å; L416-S419 PolarHBondContact O-N 3.19Å; L416-S419 PolarHBondContact O-OG 2.92Å
417	G	94.5	Very high	95	Very high	24 Å²	24	35.5 Å²	35.5	25%	0.247	20%	0.197	C	C	.	.	H	α-helix	trans	-60.4	-30	-179.8	0	0	0	0	0	112.9	L413 N414 S419 F420 L421	L413-G417 WeakPolarHBondContact O-CA 3.32Å; L413-G417 PolarHBondContact O-N 3.05Å; N414-G417 PolarHBondContact O-N 3.29Å; G417-S419 PolarHBondContact O-N 3.3Å; G417-F420 WeakPolarHBondContact O-CB 3.39Å; G417-F420 PolarHBondContact O-N 3.43Å; G417-F420 VanDerWaalsContact O-N 3.07Å; G417-L421 PolarHBondContact O-N 2.98Å
418	V	96.4	Very high	95.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60	-30.5	173.6	174.7	0	0	0	0	111.9	F246 L263 N414 L416 F420 L421 L422 F431	F246-V418 HydrophobicContact CB-CG1 4.38Å; F246-V418 HydrophobicContact CD2-CG1 3.93Å; F246-V418 HydrophobicContact CD2-CG2 4.06Å; F246-V418 HydrophobicContact CE1-CG2 4.25Å; F246-V418 HydrophobicContact CE2-CG1 4.4Å; F246-V418 HydrophobicContact CE2-CG2 3.74Å; F246-V418 HydrophobicContact CG-CG1 4.18Å; F246-V418 HydrophobicContact CG-CG2 4.44Å; F246-V418 HydrophobicContact CZ-CG2 3.84Å; L263-V418 HydrophobicContact CD1-CG2 3.38Å; N414-V418 WeakPolarHBondContact O-CG2 3.06Å; N414-V418 PolarHBondContact O-N 2.9Å; L416-V418 PolarHBondContact O-N 3.47Å; V418-F420 VanDerWaalsContact C-N 3.31Å; V418-F420 PolarHBondContact O-N 3.29Å; V418-L421 WeakPolarHBondContact O-CB 3.39Å; V418-L421 PolarHBondContact O-N 2.88Å; V418-L422 HydrophobicContact CG1-CD1 3.5Å; V418-L422 HydrophobicContact CG1-CG 3.83Å; V418-L422 WeakPolarHBondContact O-CG 3.49Å; V418-L422 PolarHBondContact O-N 3Å; V418-F431 HydrophobicContact CB-CD1 3.93Å; V418-F431 HydrophobicContact CB-CE1 3.6Å; V418-F431 HydrophobicContact CB-CZ 4.02Å; V418-F431 HydrophobicContact CG1-CB 4.49Å; V418-F431 HydrophobicContact CG1-CD1 3.46Å; V418-F431 VanDerWaalsContact CG1-CD1 3.46Å; V418-F431 HydrophobicContact CG1-CD2 4.17Å; V418-F431 HydrophobicContact CG1-CE1 3.62Å; V418-F431 HydrophobicContact CG1-CE2 4.27Å; V418-F431 HydrophobicContact CG1-CG 3.77Å; V418-F431 HydrophobicContact CG1-CZ 4.03Å; V418-F431 HydrophobicContact CG2-CE1 3.94Å; V418-F431 HydrophobicContact CG2-CE2 4.42Å; V418-F431 HydrophobicContact CG2-CZ 3.83Å
419	S	96.1	Very high	95.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-70.4	-27.6	176.9	78.6	0	0	0	0	113.4	G365 A369 L416 G417 L421 L423	G365-S419 VanDerWaalsContact O-CB 3.31Å; G365-S419 WeakPolarHBondContact O-CB 3.25Å; G365-S419 PolarHBondContact O-OG 3.46Å; A369-S419 WeakPolarHBondContact CB-OG 2.99Å; L416-S419 PolarHBondContact O-N 3.19Å; L416-S419 PolarHBondContact O-OG 2.92Å; G417-S419 PolarHBondContact O-N 3.3Å; S419-L421 VanDerWaalsContact C-N 3.27Å; S419-L421 PolarHBondContact O-N 3.48Å; S419-L423 PolarHBondContact O-N 3.41Å; S419-L423 VanDerWaalsContact O-N 3.13Å
420	F	93	Very high	95.3	Very high	67 Å²	67	34.6 Å²	34.6	29%	0.294	19%	0.185	S	C	.	.	H	α-helix	trans	-70	-23.8	169.4	-76.5	-102.9	0	0	0	112.8	H360 Y366 A369 F370 G417 V418 L423	H360-F420 AromaticContact CD2-CE1 3.71Å; H360-F420 AromaticContact NE2-CE1 3.99Å; Y366-F420 HydrophobicContact CD1-CB 4.33Å; Y366-F420 AromaticContact CD1-CD1 3.29Å; Y366-F420 HydrophobicContact CD1-CD1 3.29Å; Y366-F420 AromaticContact CD1-CE1 3.63Å; Y366-F420 HydrophobicContact CD1-CE1 3.63Å; Y366-F420 AromaticContact CD1-CG 3.82Å; Y366-F420 HydrophobicContact CD1-CG 3.82Å; Y366-F420 HydrophobicContact CD1-CZ 4.42Å; Y366-F420 HydrophobicContact CE1-CB 4.14Å; Y366-F420 AromaticContact CE1-CD1 3.42Å; Y366-F420 HydrophobicContact CE1-CD1 3.42Å; Y366-F420 VanDerWaalsContact CE1-CD1 3.42Å; Y366-F420 HydrophobicContact CE1-CE1 4.11Å; Y366-F420 HydrophobicContact CE1-CG 4.02Å; Y366-F420 HydrophobicContact CG-CD1 4.41Å; Y366-F420 HydrophobicContact CG-CE1 4.37Å; A369-F420 HydrophobicContact CB-CD2 3.74Å; A369-F420 HydrophobicContact CB-CE2 3.27Å; A369-F420 HydrophobicContact CB-CZ 4.15Å; F370-F420 HydrophobicContact CD2-CZ 4.31Å; F370-F420 HydrophobicContact CE1-CZ 4.32Å; F370-F420 HydrophobicContact CE2-CE1 4.09Å; F370-F420 AromaticContact CE2-CZ 3.6Å; F370-F420 HydrophobicContact CE2-CZ 3.6Å; F370-F420 HydrophobicContact CZ-CE1 4.2Å; F370-F420 AromaticContact CZ-CZ 3.62Å; F370-F420 HydrophobicContact CZ-CZ 3.62Å; G417-F420 WeakPolarHBondContact O-CB 3.39Å; G417-F420 PolarHBondContact O-N 3.43Å; G417-F420 VanDerWaalsContact O-N 3.07Å; V418-F420 VanDerWaalsContact C-N 3.31Å; V418-F420 PolarHBondContact O-N 3.29Å; F420-L423 VanDerWaalsContact O-CD2 3.26Å; F420-L423 WeakPolarHBondContact O-CD2 3.43Å
421	L	93.4	Very high	95.4	Very high	37 Å²	37	33.7 Å²	33.7	19%	0.194	18%	0.181	C	C	.	.	H	α-helix	trans	-86.2	-39.8	178	-59.3	174.3	0	0	0	112	P243 F246 F270 G417 V418 S419	P243-L421 HydrophobicContact CB-CB 4.08Å; P243-L421 HydrophobicContact CG-CB 4.3Å; F246-L421 HydrophobicContact CE2-CD1 4.24Å; F270-L421 HydrophobicContact CB-CD1 4.15Å; F270-L421 HydrophobicContact CB-CD2 4.12Å; F270-L421 HydrophobicContact CD2-CD1 3.26Å; F270-L421 HydrophobicContact CE2-CD1 3.74Å; F270-L421 HydrophobicContact CG-CD1 3.75Å; F270-L421 HydrophobicContact CG-CD2 4.16Å; G417-L421 PolarHBondContact O-N 2.98Å; V418-L421 WeakPolarHBondContact O-CB 3.39Å; V418-L421 PolarHBondContact O-N 2.88Å; S419-L421 VanDerWaalsContact C-N 3.27Å; S419-L421 PolarHBondContact O-N 3.48Å
422	L	94.5	Very high	95.5	Very high	8 Å²	8	32.4 Å²	32.4	4%	0.042	17%	0.173	C	C	.	.	H	α-helix	trans	-85.7	-21.2	-174.7	-66.6	-178.9	0	0	0	114.2	P243 L247 V418 T424 K427 V428 F431	P243-L422 HydrophobicContact CB-CD2 4.29Å; L247-L422 HydrophobicContact CD1-CD2 4.11Å; L247-L422 HydrophobicContact CD2-CD1 3.92Å; L247-L422 HydrophobicContact CD2-CD2 4.37Å; L247-L422 HydrophobicContact CG-CD2 4.11Å; V418-L422 HydrophobicContact CG1-CD1 3.5Å; V418-L422 HydrophobicContact CG1-CG 3.83Å; V418-L422 WeakPolarHBondContact O-CG 3.49Å; V418-L422 PolarHBondContact O-N 3Å; L422-T424 PolarHBondContact O-N 2.85Å; L422-K427 HydrophobicContact CB-CB 3.92Å; L422-K427 HydrophobicContact CD1-CB 4.29Å; L422-K427 HydrophobicContact CG-CB 4.47Å; L422-V428 HydrophobicContact CB-CG2 3.92Å; L422-F431 HydrophobicContact CD1-CB 3.75Å; L422-F431 HydrophobicContact CD1-CG 4.33Å
423	L	92.4	Very high	95.6	Very high	45 Å²	45	38.8 Å²	38.8	24%	0.236	19%	0.193	C	C	.	.			trans	62.5	-40.6	172	-56.5	177.8	0	0	0	117.6	Y363 G365 Y366 S419 F420	Y363-L423 HydrophobicContact CD1-CB 3.88Å; Y363-L423 HydrophobicContact CD1-CD1 4.36Å; Y363-L423 HydrophobicContact CD2-CD1 4.36Å; Y363-L423 HydrophobicContact CD2-CD2 4.17Å; Y363-L423 HydrophobicContact CE1-CD1 4.35Å; Y363-L423 HydrophobicContact CE2-CD1 4.35Å; Y363-L423 HydrophobicContact CG-CB 3.99Å; Y363-L423 HydrophobicContact CG-CD1 4.37Å; Y363-L423 HydrophobicContact CG-CD2 4.12Å; Y363-L423 HydrophobicContact CG-CG 4.39Å; G365-L423 WeakPolarHBondContact CA-O 3.44Å; G365-L423 PolarHBondContact N-O 2.84Å; Y366-L423 HydrophobicContact CE1-CD2 3.68Å; Y366-L423 WeakPolarHBondContact OH-CD2 3.48Å; S419-L423 PolarHBondContact O-N 3.41Å; S419-L423 VanDerWaalsContact O-N 3.13Å; F420-L423 VanDerWaalsContact O-CD2 3.26Å; F420-L423 WeakPolarHBondContact O-CD2 3.43Å
424	T	93.3	Very high	95.7	Very high	43 Å²	43	38.4 Å²	38.4	26%	0.264	19%	0.19	S	C	.	.	S	Bend	trans	-102.3	146.7	-173.1	66.4	0	0	0	0	112.5	L422 D426 K427 V428	L422-T424 PolarHBondContact O-N 2.85Å; T424-D426 VanDerWaalsContact C-N 3.32Å; T424-D426 WeakPolarHBondContact CB-OD1 3.36Å; T424-D426 PolarHBondContact O-N 3.46Å; T424-D426 PolarHBondContact OG1-OD1 2.95Å; T424-K427 PolarHBondContact O-N 3.44Å; T424-K427 WeakPolarHBondContact OG1-CD 3.44Å; T424-K427 WeakPolarHBondContact OG1-CG 3.12Å; T424-V428 VanDerWaalsContact O-CG2 3.25Å; T424-V428 WeakPolarHBondContact O-CG2 3.24Å; T424-V428 PolarHBondContact O-N 3.35Å
425	T	94.4	Very high	95.6	Very high	58 Å²	58	38.2 Å²	38.2	36%	0.356	19%	0.19	S	C	.	.	H	α-helix	trans	-57	-42.7	-175.6	-56.9	0	0	0	0	112.7	P364 L368 V428 L429	P364-T425 WeakPolarHBondContact CB-OG1 3.47Å; L368-T425 HydrophobicContact CD1-CG2 4.28Å; T425-V428 PolarHBondContact O-N 3.37Å; T425-L429 HydrophobicContact CG2-CD1 3.64Å; T425-L429 HydrophobicContact CG2-CG 4Å; T425-L429 VanDerWaalsContact O-CB 3.28Å; T425-L429 WeakPolarHBondContact O-CB 3.22Å; T425-L429 VanDerWaalsContact O-CG 3.22Å; T425-L429 WeakPolarHBondContact O-CG 3.42Å; T425-L429 PolarHBondContact O-N 3.01Å
426	D	96.4	Very high	95.6	Very high	106 Å²	106	46.6 Å²	46.6	57%	0.567	22%	0.221	S	C	*	.	H	α-helix	trans	-59.9	-49.1	-179.8	62.1	-59.7	0	0	0	111.7	T424 H430	T424-D426 VanDerWaalsContact C-N 3.32Å; T424-D426 WeakPolarHBondContact CB-OD1 3.36Å; T424-D426 PolarHBondContact O-N 3.46Å; T424-D426 PolarHBondContact OG1-OD1 2.95Å; D426-H430 WeakPolarHBondContact O-CB 3.49Å; D426-H430 PolarHBondContact O-N 3.22Å
427	K	96.8	Very high	95.6	Very high	77 Å²	77	49.6 Å²	49.6	34%	0.335	23%	0.234	S	C	.	.	H	α-helix	trans	-65.5	-44.1	178.7	-65.6	179.7	-176.9	177.9	0	111.5	L247 L422 T424 H430 F431	L247-K427 HydrophobicContact CD1-CB 4.01Å; L247-K427 HydrophobicContact CD1-CD 3.93Å; L247-K427 HydrophobicContact CD1-CG 3.73Å; L247-K427 HydrophobicContact CD2-CB 4.12Å; L247-K427 WeakPolarHBondContact CD2-O 3.44Å; L422-K427 HydrophobicContact CB-CB 3.92Å; L422-K427 HydrophobicContact CD1-CB 4.29Å; L422-K427 HydrophobicContact CG-CB 4.47Å; T424-K427 PolarHBondContact O-N 3.44Å; T424-K427 WeakPolarHBondContact OG1-CD 3.44Å; T424-K427 WeakPolarHBondContact OG1-CG 3.12Å; K427-H430 WeakPolarHBondContact O-CB 3.49Å; K427-H430 PolarHBondContact O-N 3.43Å; K427-F431 PolarHBondContact O-N 2.98Å
428	V	97	Very high	95.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.9	-49	179.6	174.9	0	0	0	0	111.2	L368 L422 T424 T425 H430 F431 W432	L368-V428 HydrophobicContact CD1-CB 4.11Å; L368-V428 HydrophobicContact CD1-CG1 3.83Å; L422-V428 HydrophobicContact CB-CG2 3.92Å; T424-V428 VanDerWaalsContact O-CG2 3.25Å; T424-V428 WeakPolarHBondContact O-CG2 3.24Å; T424-V428 PolarHBondContact O-N 3.35Å; T425-V428 PolarHBondContact O-N 3.37Å; V428-H430 VanDerWaalsContact C-N 3.3Å; V428-H430 PolarHBondContact O-N 3.01Å; V428-F431 PolarHBondContact O-N 3.29Å; V428-W432 HydrophobicContact CG1-CD2 3.77Å; V428-W432 HydrophobicContact CG1-CE3 4.09Å; V428-W432 HydrophobicContact CG1-CG 4.42Å; V428-W432 HydrophobicContact CG1-CH2 4.01Å; V428-W432 HydrophobicContact CG1-CZ2 3.63Å; V428-W432 HydrophobicContact CG1-CZ3 4.2Å; V428-W432 WeakPolarHBondContact O-CB 3.36Å; V428-W432 VanDerWaalsContact O-CG 3.28Å; V428-W432 PolarHBondContact O-N 2.94Å
429	L	97.1	Very high	95.5	Very high	50 Å²	50	52.2 Å²	52.2	26%	0.262	24%	0.244	S	C	.	.	H	α-helix	trans	-65.2	-34.7	177.4	-68.6	-177.3	0	0	0	111.8	T425 W432 R433 F437	T425-L429 HydrophobicContact CG2-CD1 3.64Å; T425-L429 HydrophobicContact CG2-CG 4Å; T425-L429 VanDerWaalsContact O-CB 3.28Å; T425-L429 WeakPolarHBondContact O-CB 3.22Å; T425-L429 VanDerWaalsContact O-CG 3.22Å; T425-L429 WeakPolarHBondContact O-CG 3.42Å; T425-L429 PolarHBondContact O-N 3.01Å; L429-W432 HydrophobicContact CD2-CE3 3.79Å; L429-W432 HydrophobicContact CD2-CZ3 4.2Å; L429-W432 PolarHBondContact O-N 2.85Å; L429-R433 WeakPolarHBondContact O-CB 3.39Å; L429-R433 WeakPolarHBondContact O-CG 3.01Å; L429-R433 PolarHBondContact O-N 3.35Å; L429-F437 HydrophobicContact CD2-CE1 4.4Å
430	H	97.4	Very high	95.5	Very high	78 Å²	78	53.9 Å²	53.9	36%	0.361	25%	0.251	S	S	.	.	H	α-helix	trans	-60.4	-52.4	173.6	-174.9	89.1	0	0	0	111.3	L247 D426 K427 V428 W432 R433 Q434	L247-H430 HydrophobicContact CD2-CB 4.24Å; D426-H430 WeakPolarHBondContact O-CB 3.49Å; D426-H430 PolarHBondContact O-N 3.22Å; K427-H430 WeakPolarHBondContact O-CB 3.49Å; K427-H430 PolarHBondContact O-N 3.43Å; V428-H430 VanDerWaalsContact C-N 3.3Å; V428-H430 PolarHBondContact O-N 3.01Å; H430-W432 VanDerWaalsContact C-N 3.34Å; H430-W432 PolarHBondContact O-N 2.91Å; H430-R433 WeakPolarHBondContact O-CB 3.44Å; H430-R433 PolarHBondContact O-N 3.18Å; H430-Q434 PolarHBondContact CD2-NE2 3.08Å; H430-Q434 VanDerWaalsContact CD2-NE2 3.31Å; H430-Q434 PolarHBondContact NE2-NE2 2.99Å; H430-Q434 WeakPolarHBondContact O-CG 3.35Å; H430-Q434 PolarHBondContact O-N 3.19Å
431	F	97.6	Very high	95.7	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-57.8	-45.1	174.9	166.4	-108.7	0	0	0	112	F246 L247 F251 L263 Y415 V418 L422 K427 V428 R433 Q434 M435	F246-F431 HydrophobicContact CB-CD2 3.87Å; F246-F431 HydrophobicContact CB-CE2 4.33Å; F246-F431 HydrophobicContact CD1-CD2 4.29Å; F246-F431 AromaticContact CD1-CE2 3.9Å; F246-F431 HydrophobicContact CD1-CE2 3.9Å; F246-F431 HydrophobicContact CG-CD2 4.34Å; F246-F431 HydrophobicContact CG-CE2 4.33Å; L247-F431 HydrophobicContact CD2-CB 4.45Å; F251-F431 HydrophobicContact CE1-CD2 4.03Å; F251-F431 AromaticContact CE1-CE2 3.85Å; F251-F431 HydrophobicContact CE1-CE2 3.85Å; F251-F431 HydrophobicContact CZ-CD2 4.37Å; F251-F431 AromaticContact CZ-CE2 3.75Å; F251-F431 HydrophobicContact CZ-CE2 3.75Å; L263-F431 HydrophobicContact CD1-CZ 4.03Å; Y415-F431 AromaticContact CD2-CE1 3.83Å; Y415-F431 HydrophobicContact CD2-CE1 3.83Å; Y415-F431 HydrophobicContact CD2-CZ 4.11Å; Y415-F431 HydrophobicContact CE2-CE1 4.01Å; V418-F431 HydrophobicContact CB-CD1 3.93Å; V418-F431 HydrophobicContact CB-CE1 3.6Å; V418-F431 HydrophobicContact CB-CZ 4.02Å; V418-F431 HydrophobicContact CG1-CB 4.49Å; V418-F431 HydrophobicContact CG1-CD1 3.46Å; V418-F431 VanDerWaalsContact CG1-CD1 3.46Å; V418-F431 HydrophobicContact CG1-CD2 4.17Å; V418-F431 HydrophobicContact CG1-CE1 3.62Å; V418-F431 HydrophobicContact CG1-CE2 4.27Å; V418-F431 HydrophobicContact CG1-CG 3.77Å; V418-F431 HydrophobicContact CG1-CZ 4.03Å; V418-F431 HydrophobicContact CG2-CE1 3.94Å; V418-F431 HydrophobicContact CG2-CE2 4.42Å; V418-F431 HydrophobicContact CG2-CZ 3.83Å; L422-F431 HydrophobicContact CD1-CB 3.75Å; L422-F431 HydrophobicContact CD1-CG 4.33Å; K427-F431 PolarHBondContact O-N 2.98Å; V428-F431 PolarHBondContact O-N 3.29Å; F431-R433 VanDerWaalsContact C-N 3.33Å; F431-R433 PolarHBondContact O-N 2.97Å; F431-Q434 WeakPolarHBondContact O-CB 3.2Å; F431-Q434 PolarHBondContact O-N 3.46Å; F431-Q434 VanDerWaalsContact O-N 3.16Å; F431-M435 HydrophobicContact CD2-CG 4.21Å; F431-M435 HydrophobicContact CE1-CG 4.37Å; F431-M435 HydrophobicContact CE2-CG 3.68Å; F431-M435 HydrophobicContact CE2-SD 4.35Å; F431-M435 HydrophobicContact CZ-CG 3.76Å; F431-M435 WeakPolarHBondContact O-CG 3.15Å; F431-M435 PolarHBondContact O-N 3.16Å
432	W	97.1	Very high	95.8	Very high	9 Å²	9	55.1 Å²	55.1	3%	0.034	27%	0.267	C	S	.	.	H	α-helix	trans	-63.1	-37.1	178.6	-69.7	-9.4	0	0	0	113	L368 Y415 V428 L429 H430 M435 R436 F437 H440	L368-W432 HydrophobicContact CB-CH2 3.69Å; L368-W432 HydrophobicContact CB-CZ2 4.41Å; L368-W432 HydrophobicContact CB-CZ3 4.32Å; L368-W432 HydrophobicContact CD2-CH2 4.42Å; L368-W432 HydrophobicContact CD2-CZ3 4.28Å; L368-W432 HydrophobicContact CG-CH2 4.45Å; Y415-W432 AromaticContact CE1-CD1 3.97Å; Y415-W432 AromaticContact CE1-NE1 3.73Å; Y415-W432 AromaticContact CE2-CD1 3.53Å; Y415-W432 HydrophobicContact CE2-CG 4.3Å; Y415-W432 AromaticContact CZ-CD1 3.27Å; Y415-W432 AromaticContact CZ-CG 3.78Å; Y415-W432 AromaticContact CZ-NE1 3.54Å; Y415-W432 WeakPolarHBondContact OH-CB 3.21Å; V428-W432 HydrophobicContact CG1-CD2 3.77Å; V428-W432 HydrophobicContact CG1-CE3 4.09Å; V428-W432 HydrophobicContact CG1-CG 4.42Å; V428-W432 HydrophobicContact CG1-CH2 4.01Å; V428-W432 HydrophobicContact CG1-CZ2 3.63Å; V428-W432 HydrophobicContact CG1-CZ3 4.2Å; V428-W432 WeakPolarHBondContact O-CB 3.36Å; V428-W432 VanDerWaalsContact O-CG 3.28Å; V428-W432 PolarHBondContact O-N 2.94Å; L429-W432 HydrophobicContact CD2-CE3 3.79Å; L429-W432 HydrophobicContact CD2-CZ3 4.2Å; L429-W432 PolarHBondContact O-N 2.85Å; H430-W432 VanDerWaalsContact C-N 3.34Å; H430-W432 PolarHBondContact O-N 2.91Å; W432-M435 CarbonylContact O-C 3.35Å; W432-M435 PolarHBondContact O-N 2.69Å; W432-R436 PolarHBondContact O-N 3.26Å; W432-F437 HydrophobicContact CB-CD1 3.89Å; W432-F437 HydrophobicContact CB-CE1 3.73Å; W432-F437 HydrophobicContact CB-CZ 4.26Å; W432-F437 HydrophobicContact CE3-CD1 4.4Å; W432-F437 HydrophobicContact CE3-CE1 4.05Å; W432-F437 PolarHBondContact O-N 3.15Å; W432-H440 AromaticContact CD2-CE1 3.71Å; W432-H440 AromaticContact CE2-CE1 3.82Å; W432-H440 AromaticContact CE3-CE1 3.65Å; W432-H440 AromaticContact CH2-CE1 3.79Å; W432-H440 AromaticContact CH2-NE2 3.77Å; W432-H440 AromaticContact CZ2-CE1 3.88Å; W432-H440 AromaticContact CZ3-CE1 3.7Å; W432-H440 AromaticContact CZ3-NE2 3.87Å
433	R	97	Very high	95.8	Very high	163 Å²	163	55.1 Å²	55.1	62%	0.615	27%	0.267	S	S	*	.	H	α-helix	trans	-63.9	-42.3	171.8	-74.1	168.6	-173.8	171.1	3.1	112	L429 H430 F431 M435 R436 F437	L429-R433 WeakPolarHBondContact O-CB 3.39Å; L429-R433 WeakPolarHBondContact O-CG 3.01Å; L429-R433 PolarHBondContact O-N 3.35Å; H430-R433 WeakPolarHBondContact O-CB 3.44Å; H430-R433 PolarHBondContact O-N 3.18Å; F431-R433 VanDerWaalsContact C-N 3.33Å; F431-R433 PolarHBondContact O-N 2.97Å; R433-M435 PolarHBondContact O-N 3.21Å; R433-R436 WeakPolarHBondContact O-CA 3.29Å; R433-R436 PolarHBondContact O-N 3.14Å; R433-F437 HydrophobicContact CB-CE2 4.42Å; R433-F437 HydrophobicContact CG-CE2 3.66Å; R433-F437 HydrophobicContact CG-CZ 3.9Å
434	Q	96	Very high	95.9	Very high	25 Å²	25	57.1 Å²	57.1	12%	0.117	28%	0.278	C	S	.	.	H	α-helix	trans	-63	-27	175.8	-67.4	-175.3	-3.8	0	0	112.9	F246 A252 K259 H430 F431	F246-Q434 PolarHBondContact O-OE1 3.21Å; A252-Q434 HydrophobicContact CB-CG 4.29Å; K259-Q434 PolarHBondContact NZ-O 2.53Å; H430-Q434 PolarHBondContact CD2-NE2 3.08Å; H430-Q434 VanDerWaalsContact CD2-NE2 3.31Å; H430-Q434 PolarHBondContact NE2-NE2 2.99Å; H430-Q434 WeakPolarHBondContact O-CG 3.35Å; H430-Q434 PolarHBondContact O-N 3.19Å; F431-Q434 WeakPolarHBondContact O-CB 3.2Å; F431-Q434 PolarHBondContact O-N 3.46Å; F431-Q434 VanDerWaalsContact O-N 3.16Å
435	M	96.4	Very high	96.1	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	5.9	171.8	-64.9	-63.5	-71.5	0	0	113.3	F251 K259 F260 L263 Y415 F431 W432 R433 F437 I438	F251-M435 HydrophobicContact CE1-CG 4.41Å; F251-M435 HydrophobicContact CE1-SD 3.94Å; F251-M435 HydrophobicContact CZ-SD 3.76Å; K259-M435 HydrophobicContact CB-CE 4.5Å; K259-M435 HydrophobicContact CB-SD 3.98Å; K259-M435 HydrophobicContact CD-SD 3.9Å; K259-M435 HydrophobicContact CG-SD 4.36Å; F260-M435 HydrophobicContact CD1-CE 3.89Å; F260-M435 HydrophobicContact CE1-CE 3.49Å; F260-M435 VanDerWaalsContact CE1-CE 3.49Å; F260-M435 HydrophobicContact CZ-CE 4.25Å; L263-M435 HydrophobicContact CD2-CE 4.4Å; Y415-M435 HydrophobicContact CD2-CB 4.44Å; Y415-M435 HydrophobicContact CD2-CG 4.42Å; Y415-M435 HydrophobicContact CE2-CB 3.83Å; Y415-M435 HydrophobicContact CE2-CG 4.19Å; F431-M435 HydrophobicContact CD2-CG 4.21Å; F431-M435 HydrophobicContact CE1-CG 4.37Å; F431-M435 HydrophobicContact CE2-CG 3.68Å; F431-M435 HydrophobicContact CE2-SD 4.35Å; F431-M435 HydrophobicContact CZ-CG 3.76Å; F431-M435 WeakPolarHBondContact O-CG 3.15Å; F431-M435 PolarHBondContact O-N 3.16Å; W432-M435 CarbonylContact O-C 3.35Å; W432-M435 PolarHBondContact O-N 2.69Å; R433-M435 PolarHBondContact O-N 3.21Å; M435-F437 PolarHBondContact O-N 2.79Å; M435-F437 VanDerWaalsContact O-N 3.13Å; M435-I438 HydrophobicContact CE-CG2 4.29Å; M435-I438 WeakPolarHBondContact O-CB 3.37Å; M435-I438 WeakPolarHBondContact O-CG2 2.93Å; M435-I438 PolarHBondContact O-N 3.31Å
436	R	95.6	Very high	96	Very high	180 Å²	180	58.5 Å²	58.5	68%	0.679	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.7	37.1	-175	-59.5	-163.7	-170.2	167.5	-5.2	114.2	Y256 W432 R433 I438 I441	Y256-R436 WeakPolarHBondContact OH-CD 3.49Å; Y256-R436 WeakPolarHBondContact OH-CG 3.34Å; Y256-R436 PolarHBondContact OH-NE 3.03Å; W432-R436 PolarHBondContact O-N 3.26Å; R433-R436 WeakPolarHBondContact O-CA 3.29Å; R433-R436 PolarHBondContact O-N 3.14Å; R436-I438 PolarHBondContact O-N 3.48Å; R436-I438 VanDerWaalsContact O-N 3.09Å; R436-I441 WeakPolarHBondContact O-CD1 3.13Å
437	F	96.1	Very high	96	Very high	71 Å²	71	55.2 Å²	55.2	31%	0.311	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	27.9	-178.3	-61.4	-91.2	0	0	0	113.9	L429 W432 R433 M435 G439 H440 I441	L429-F437 HydrophobicContact CD2-CE1 4.4Å; W432-F437 HydrophobicContact CB-CD1 3.89Å; W432-F437 HydrophobicContact CB-CE1 3.73Å; W432-F437 HydrophobicContact CB-CZ 4.26Å; W432-F437 HydrophobicContact CE3-CD1 4.4Å; W432-F437 HydrophobicContact CE3-CE1 4.05Å; W432-F437 PolarHBondContact O-N 3.15Å; R433-F437 HydrophobicContact CB-CE2 4.42Å; R433-F437 HydrophobicContact CG-CE2 3.66Å; R433-F437 HydrophobicContact CG-CZ 3.9Å; M435-F437 PolarHBondContact O-N 2.79Å; M435-F437 VanDerWaalsContact O-N 3.13Å; F437-G439 PolarHBondContact O-N 2.88Å; F437-G439 VanDerWaalsContact O-N 3.17Å; F437-H440 AromaticContact CD1-ND1 3.94Å; F437-H440 WeakPolarHBondContact O-CA 3.09Å; F437-H440 PolarHBondContact O-N 3.23Å; F437-I441 HydrophobicContact CB-CD1 4.13Å; F437-I441 HydrophobicContact CB-CG1 4.22Å; F437-I441 WeakPolarHBondContact O-CG1 3.42Å; F437-I441 PolarHBondContact O-N 3.44Å
438	I	95	Very high	95.8	Very high	70 Å²	70	56.2 Å²	56.2	36%	0.359	28%	0.279	S	S	.	.	H	α-helix	trans	-60.2	-31.4	-175.5	-161.6	170.2	0	0	0	112.9	F260 M435 R436 H440 G442	F260-I438 HydrophobicContact CE1-CG2 4.26Å; F260-I438 HydrophobicContact CZ-CD1 4.07Å; F260-I438 HydrophobicContact CZ-CG2 4.06Å; M435-I438 HydrophobicContact CE-CG2 4.29Å; M435-I438 WeakPolarHBondContact O-CB 3.37Å; M435-I438 WeakPolarHBondContact O-CG2 2.93Å; M435-I438 PolarHBondContact O-N 3.31Å; R436-I438 PolarHBondContact O-N 3.48Å; R436-I438 VanDerWaalsContact O-N 3.09Å; I438-H440 PolarHBondContact O-N 2.91Å; I438-G442 PolarHBondContact O-N 2.76Å
439	G	93.9	Very high	95.7	Very high	9 Å²	9	57.2 Å²	57.2	9%	0.093	29%	0.29	C	S	.	.	H	α-helix	trans	-71	-7.3	174.4	0	0	0	0	0	114.7	F437 P443	F437-G439 PolarHBondContact O-N 2.88Å; F437-G439 VanDerWaalsContact O-N 3.17Å; G439-P443 WeakPolarHBondContact O-CD 3.38Å; G439-P443 VanDerWaalsContact O-CG 3.3Å; G439-P443 WeakPolarHBondContact O-CG 3.28Å
440	H	96	Very high	95.4	Very high	35 Å²	35	55.7 Å²	55.7	16%	0.162	28%	0.281	C	S	.	.	H	α-helix	trans	-109	-49.8	170.7	-57.6	89.4	0	0	0	111.3	S372 L375 Y415 W432 F437 I438 G442 P443 L444	S372-H440 PolarHBondContact OG-NE2 3.24Å; L375-H440 HydrophobicContact CD2-CB 4.22Å; Y415-H440 AromaticContact CE1-CE1 3.5Å; Y415-H440 AromaticContact CE1-ND1 3.64Å; Y415-H440 AromaticContact CZ-CE1 3.83Å; Y415-H440 AromaticContact CZ-ND1 3.78Å; Y415-H440 PolarHBondContact OH-CE1 3.27Å; Y415-H440 VanDerWaalsContact OH-CE1 3.25Å; Y415-H440 PolarHBondContact OH-ND1 3.46Å; W432-H440 AromaticContact CD2-CE1 3.71Å; W432-H440 AromaticContact CE2-CE1 3.82Å; W432-H440 AromaticContact CE3-CE1 3.65Å; W432-H440 AromaticContact CH2-CE1 3.79Å; W432-H440 AromaticContact CH2-NE2 3.77Å; W432-H440 AromaticContact CZ2-CE1 3.88Å; W432-H440 AromaticContact CZ3-CE1 3.7Å; W432-H440 AromaticContact CZ3-NE2 3.87Å; F437-H440 AromaticContact CD1-ND1 3.94Å; F437-H440 WeakPolarHBondContact O-CA 3.09Å; F437-H440 PolarHBondContact O-N 3.23Å; I438-H440 PolarHBondContact O-N 2.91Å; H440-G442 PolarHBondContact O-N 3.09Å; H440-P443 WeakPolarHBondContact O-CD 3.42Å; H440-L444 WeakPolarHBondContact O-CB 3.3Å; H440-L444 PolarHBondContact O-N 3.37Å
441	I	96.5	Very high	95	Very high	103 Å²	103	54.3 Å²	54.3	53%	0.528	28%	0.28	S	S	.	.	H	α-helix	trans	-62.4	-43.2	-177.7	-62.2	175.2	0	0	0	110.6	R436 F437 L444 A445	R436-I441 WeakPolarHBondContact O-CD1 3.13Å; F437-I441 HydrophobicContact CB-CD1 4.13Å; F437-I441 HydrophobicContact CB-CG1 4.22Å; F437-I441 WeakPolarHBondContact O-CG1 3.42Å; F437-I441 PolarHBondContact O-N 3.44Å; I441-L444 PolarHBondContact O-N 3.33Å; I441-A445 WeakPolarHBondContact O-CB 3.41Å; I441-A445 PolarHBondContact O-N 2.84Å
442	G	94.4	Very high	94.6	Very high	27 Å²	27	61 Å²	61	28%	0.278	32%	0.315	S	S	.	.	H	α-helix	trans	-60.4	-56.6	178.9	0	0	0	0	0	112.9	I438 H440 L444 A445 L446	I438-G442 PolarHBondContact O-N 2.76Å; H440-G442 PolarHBondContact O-N 3.09Å; G442-L444 VanDerWaalsContact C-N 3.31Å; G442-L444 PolarHBondContact O-N 3.39Å; G442-A445 PolarHBondContact O-N 3.37Å; G442-L446 WeakPolarHBondContact O-CG 3.26Å; G442-L446 PolarHBondContact O-N 2.9Å
443	P	95.3	Very high	94.1	Very high	9 Å²	9	67.4 Å²	67.4	6%	0.058	35%	0.349	C	S	.	.	H	α-helix	trans	-54.9	-41.9	173.7	-33	40.8	0	0	0	114	L375 I376 A379 G439 H440 L446 I447	L375-P443 HydrophobicContact CD2-CB 4.3Å; L375-P443 HydrophobicContact CG-CB 4.06Å; I376-P443 HydrophobicContact CG1-CB 4.34Å; I376-P443 HydrophobicContact CG1-CG 3.83Å; A379-P443 HydrophobicContact CB-CB 3.65Å; G439-P443 WeakPolarHBondContact O-CD 3.38Å; G439-P443 VanDerWaalsContact O-CG 3.3Å; G439-P443 WeakPolarHBondContact O-CG 3.28Å; H440-P443 WeakPolarHBondContact O-CD 3.42Å; P443-L446 PolarHBondContact O-N 3.11Å; P443-I447 WeakPolarHBondContact O-CD1 3.38Å; P443-I447 VanDerWaalsContact O-CG1 3.23Å; P443-I447 WeakPolarHBondContact O-CG1 3.05Å; P443-I447 PolarHBondContact O-N 3.43Å
444	L	95.8	Very high	93.4	Very high	87 Å²	87	60.5 Å²	60.5	46%	0.455	33%	0.325	S	S	.	.	H	α-helix	trans	-63.2	-44.5	176.9	-176.1	63.6	0	0	0	111.8	L375 H440 I441 G442 L446 I447 I448	L375-L444 HydrophobicContact CD1-CD1 4.45Å; H440-L444 WeakPolarHBondContact O-CB 3.3Å; H440-L444 PolarHBondContact O-N 3.37Å; I441-L444 PolarHBondContact O-N 3.33Å; G442-L444 VanDerWaalsContact C-N 3.31Å; G442-L444 PolarHBondContact O-N 3.39Å; L444-L446 VanDerWaalsContact C-N 3.3Å; L444-L446 PolarHBondContact O-N 3.09Å; L444-I447 PolarHBondContact O-N 3.2Å; L444-I448 HydrophobicContact CD1-CD1 3.94Å; L444-I448 HydrophobicContact CD1-CG1 4.46Å; L444-I448 HydrophobicContact CG-CD1 4.01Å; L444-I448 WeakPolarHBondContact O-CG1 3.49Å; L444-I448 PolarHBondContact O-N 3.07Å; L444-I448 VanDerWaalsContact O-N 3.07Å
445	A	95.6	Very high	91.9	Very high	58 Å²	58	65 Å²	65	48%	0.479	36%	0.359	S	S	.	.	H	α-helix	trans	-61.1	-38.5	176	0	0	0	0	0	111.9	I441 G442 G449	I441-A445 WeakPolarHBondContact O-CB 3.41Å; I441-A445 PolarHBondContact O-N 2.84Å; G442-A445 PolarHBondContact O-N 3.37Å; A445-G449 WeakPolarHBondContact O-CA 3.34Å; A445-G449 PolarHBondContact O-N 3.31Å
446	L	94.3	Very high	90.6	Very high	71 Å²	71	70 Å²	70	37%	0.372	38%	0.381	S	S	.	.	H	α-helix	trans	-68.8	-38.6	175.9	-69.7	167.1	0	0	0	112.6	G442 P443 L444 I448 L450	G442-L446 WeakPolarHBondContact O-CG 3.26Å; G442-L446 PolarHBondContact O-N 2.9Å; P443-L446 PolarHBondContact O-N 3.11Å; L444-L446 VanDerWaalsContact C-N 3.3Å; L444-L446 PolarHBondContact O-N 3.09Å; L446-I448 VanDerWaalsContact C-N 3.35Å; L446-L450 HydrophobicContact CB-CD1 4.33Å; L446-L450 HydrophobicContact CD2-CD1 4.1Å; L446-L450 HydrophobicContact CD2-CG 4.27Å; L446-L450 WeakPolarHBondContact O-CB 3.33Å; L446-L450 WeakPolarHBondContact O-CG 3.36Å; L446-L450 PolarHBondContact O-N 3.23Å
447	I	94.4	Very high	89	Confident	38 Å²	38	64.4 Å²	64.4	20%	0.195	37%	0.368	C	S	.	.	H	α-helix	trans	-63.7	-41.5	177.7	-71	165.2	0	0	0	111.2	L375 V378 A379 V382 P443 L444 P451	L375-I447 HydrophobicContact CD1-CD1 3.55Å; L375-I447 HydrophobicContact CG-CD1 4.45Å; V378-I447 HydrophobicContact CB-CD1 4.02Å; V378-I447 HydrophobicContact CG1-CD1 3.81Å; V378-I447 HydrophobicContact CG1-CG1 4.09Å; A379-I447 HydrophobicContact CB-CD1 3.93Å; A379-I447 HydrophobicContact CB-CG1 3.82Å; V382-I447 HydrophobicContact CG2-CG1 4.36Å; P443-I447 WeakPolarHBondContact O-CD1 3.38Å; P443-I447 VanDerWaalsContact O-CG1 3.23Å; P443-I447 WeakPolarHBondContact O-CG1 3.05Å; P443-I447 PolarHBondContact O-N 3.43Å; L444-I447 PolarHBondContact O-N 3.2Å; I447-P451 WeakPolarHBondContact O-CD 3.41Å; I447-P451 VanDerWaalsContact O-CG 3.3Å; I447-P451 WeakPolarHBondContact O-CG 3.47Å
448	I	94.4	Very high	87.2	Confident	97 Å²	97	62.1 Å²	62.1	50%	0.497	37%	0.365	S	S	.	.	H	α-helix	trans	-83.4	-47.4	-178	-62.2	170.6	0	0	0	111.1	L444 L446 P451 L452	L444-I448 HydrophobicContact CD1-CD1 3.94Å; L444-I448 HydrophobicContact CD1-CG1 4.46Å; L444-I448 HydrophobicContact CG-CD1 4.01Å; L444-I448 WeakPolarHBondContact O-CG1 3.49Å; L444-I448 PolarHBondContact O-N 3.07Å; L444-I448 VanDerWaalsContact O-N 3.07Å; L446-I448 VanDerWaalsContact C-N 3.35Å; I448-P451 WeakPolarHBondContact O-CD 3.48Å; I448-L452 HydrophobicContact CG2-CD1 4.01Å; I448-L452 WeakPolarHBondContact O-CD1 3.4Å; I448-L452 WeakPolarHBondContact O-CG 3.26Å
449	G	93.5	Very high	84.9	Confident	22 Å²	22	64.4 Å²	64.4	23%	0.227	37%	0.374	C	S	.	.	H	α-helix	trans	-74	-40.1	-170.2	0	0	0	0	0	114.3	A445 L452 L453	A445-G449 WeakPolarHBondContact O-CA 3.34Å; A445-G449 PolarHBondContact O-N 3.31Å; G449-L452 PolarHBondContact O-N 2.97Å; G449-L453 WeakPolarHBondContact O-CB 3.47Å; G449-L453 VanDerWaalsContact O-CG 3.31Å; G449-L453 WeakPolarHBondContact O-CG 3.41Å; G449-L453 PolarHBondContact O-N 3.42Å
450	L	91.9	Very high	82.5	Confident	17 Å²	17	73.6 Å²	73.6	9%	0.089	42%	0.419	C	S	.	.	H	α-helix	trans	-63.5	-45.2	-176.5	-69.8	175.6	0	0	0	113.4	V382 C383 Y386 L387 L446 L452 L453 C454	V382-L450 HydrophobicContact CG1-CB 3.97Å; V382-L450 HydrophobicContact CG1-CD1 4.07Å; C383-L450 HydrophobicContact CB-CD1 4.38Å; Y386-L450 HydrophobicContact CD2-CB 4.3Å; Y386-L450 HydrophobicContact CG-CB 4.43Å; L387-L450 HydrophobicContact CD1-CD1 4.04Å; L387-L450 HydrophobicContact CD1-CD2 4.27Å; L387-L450 HydrophobicContact CD2-CD2 3.66Å; L387-L450 HydrophobicContact CG-CD1 4.04Å; L387-L450 HydrophobicContact CG-CD2 4.01Å; L446-L450 HydrophobicContact CB-CD1 4.33Å; L446-L450 HydrophobicContact CD2-CD1 4.1Å; L446-L450 HydrophobicContact CD2-CG 4.27Å; L446-L450 WeakPolarHBondContact O-CB 3.33Å; L446-L450 WeakPolarHBondContact O-CG 3.36Å; L446-L450 PolarHBondContact O-N 3.23Å; L450-L452 VanDerWaalsContact C-N 3.25Å; L450-L452 PolarHBondContact O-N 3.28Å; L450-L453 PolarHBondContact O-N 3.19Å; L450-C454 WeakPolarHBondContact O-CB 3.33Å; L450-C454 PolarHBondContact O-N 3.42Å
451	P	89.2	Confident	81.8	Confident	50 Å²	50	75.5 Å²	75.5	33%	0.325	43%	0.432	S	S	.	.	H	α-helix	trans	-62.1	-30.2	174	-23.3	34.3	0	0	0	114.1	V382 Y386 I447 I448	V382-P451 HydrophobicContact CG1-CG 4.25Å; Y386-P451 HydrophobicContact CE2-CB 4.25Å; Y386-P451 HydrophobicContact CE2-CG 3.84Å; I447-P451 WeakPolarHBondContact O-CD 3.41Å; I447-P451 VanDerWaalsContact O-CG 3.3Å; I447-P451 WeakPolarHBondContact O-CG 3.47Å; I448-P451 WeakPolarHBondContact O-CD 3.48Å
452	L	89.2	Confident	81.1	Confident	140 Å²	140	74.1 Å²	74.1	73%	0.733	43%	0.427	S	S	*	.	H	α-helix	trans	-77.5	-34.1	178.9	-66.5	174.1	0	0	0	112.4	I448 G449 L450	I448-L452 HydrophobicContact CG2-CD1 4.01Å; I448-L452 WeakPolarHBondContact O-CD1 3.4Å; I448-L452 WeakPolarHBondContact O-CG 3.26Å; G449-L452 PolarHBondContact O-N 2.97Å; L450-L452 VanDerWaalsContact C-N 3.25Å; L450-L452 PolarHBondContact O-N 3.28Å
453	L	86.5	Confident	80.3	Confident	143 Å²	143	76.7 Å²	76.7	75%	0.749	44%	0.435	S	S	*	.	H	α-helix	trans	-86.5	-27.7	-178.4	-67.5	170.9	0	0	0	113.3	G449 L450	G449-L453 WeakPolarHBondContact O-CB 3.47Å; G449-L453 VanDerWaalsContact O-CG 3.31Å; G449-L453 WeakPolarHBondContact O-CG 3.41Å; G449-L453 PolarHBondContact O-N 3.42Å; L450-L453 PolarHBondContact O-N 3.19Å
454	C	80.6	Confident	79.5	Confident	18 Å²	18	80.6 Å²	80.6	12%	0.122	46%	0.457	C	S	.	.			trans	-111.8	94.3	-179.1	-61.1	0	0	0	0	109.8	Y386 L450 K456	Y386-C454 HydrophobicContact CD1-CB 3.67Å; Y386-C454 HydrophobicContact CE1-CB 4.39Å; Y386-C454 HydrophobicContact CG-CB 4.38Å; L450-C454 WeakPolarHBondContact O-CB 3.33Å; L450-C454 PolarHBondContact O-N 3.42Å; C454-K456 PolarHBondContact O-N 3.06Å; C454-K456 VanDerWaalsContact O-N 3.1Å
455	S	65.5	Low	78.4	Confident	119 Å²	119	80.3 Å²	80.3	83%	0.832	46%	0.457	S	S	*	.	S	Bend	trans	-52.7	-34.1	-178.8	-19.8	0	0	0	0	112.5
456	K	68.9	Low	77.3	Confident	105 Å²	105	81.7 Å²	81.7	46%	0.457	46%	0.456	S	S	.	.	S	Bend	trans	-141.5	152.4	169.6	-74.1	166.2	178.3	174.5	0	110.7	C454 G458 E459	C454-K456 PolarHBondContact O-N 3.06Å; C454-K456 VanDerWaalsContact O-N 3.1Å; K456-G458 PolarHBondContact O-N 3.07Å; K456-E459 HydrophobicContact CB-CB 4.26Å; K456-E459 HydrophobicContact CB-CG 4.36Å; K456-E459 HydrophobicContact CD-CG 4.25Å; K456-E459 VanDerWaalsContact CD-OE1 3.24Å; K456-E459 WeakPolarHBondContact CD-OE1 3.33Å; K456-E459 WeakPolarHBondContact CD-OE2 3.43Å; K456-E459 IonicContact NZ-OE1 3.69Å; K456-E459 PolarHBondContact NZ-OE1 3.35Å; K456-E459 IonicContact NZ-OE2 3.43Å; K456-E459 PolarHBondContact NZ-OE2 3.05Å
457	P	62.2	Low	76.1	Confident	63 Å²	63	82.5 Å²	82.5	41%	0.409	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	106.1	173.7	-17.8	30.8	0	0	0	110.9	K385 Y386	K385-P457 HydrophobicContact CG-CB 4.44Å; K385-P457 HydrophobicContact CG-CG 4.18Å; Y386-P457 HydrophobicContact CD1-CB 4.49Å; Y386-P457 HydrophobicContact CD1-CG 4.31Å; Y386-P457 HydrophobicContact CE1-CG 4.12Å
458	G	57.8	Low	74.7	Confident	24 Å²	24	85.9 Å²	85.9	25%	0.247	48%	0.482	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.6	7.1	171.7	0	0	0	0	0	117.7	K456	K456-G458 PolarHBondContact O-N 3.07Å
459	E	47.5	Very low	73	Confident	118 Å²	118	85 Å²	85	55%	0.551	48%	0.481	S	S	*	.			trans	-94	109.3	169.5	-75.8	-176.8	-160.3	0	0	109.9	Y390 K456	Y390-E459 PolarHBondContact OH-O 3.23Å; K456-E459 HydrophobicContact CB-CB 4.26Å; K456-E459 HydrophobicContact CB-CG 4.36Å; K456-E459 HydrophobicContact CD-CG 4.25Å; K456-E459 VanDerWaalsContact CD-OE1 3.24Å; K456-E459 WeakPolarHBondContact CD-OE1 3.33Å; K456-E459 WeakPolarHBondContact CD-OE2 3.43Å; K456-E459 IonicContact NZ-OE1 3.69Å; K456-E459 PolarHBondContact NZ-OE1 3.35Å; K456-E459 IonicContact NZ-OE2 3.43Å; K456-E459 PolarHBondContact NZ-OE2 3.05Å
460	I	43.7	Very low	71.2	Confident	201 Å²	201	90.7 Å²	90.7	100%	1.031	50%	0.504	S	S	*	.			trans	-117.2	0	143.1	-61.4	172.4	0	0	0	105.6	Y390	Y390-I460 HydrophobicContact CE1-CD1 4.04Å; Y390-I460 HydrophobicContact CE1-CG1 3.91Å

Retrieved 460 of 460 residues in 104.3 ms (Link to these results)

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