A0A5K4FG73_SCHMA Loading...

Na_H_Exchanger domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FG73, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 696 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.8	Very low	50.6	Low	244 Å²	244	104.7 Å²	104.7	100%	1.202	58%	0.583	S	S	*	*				0	116.6	0	-85.1	163.2	156.4	0	0	106.2	S3	M1-S3 PolarHBondContact O-N 3.47Å
2	S	44.2	Very low	51.6	Low	114 Å²	114	102.7 Å²	102.7	80%	0.797	57%	0.57	S	S	*	*			trans	-51.9	130.7	-174.1	45.3	0	0	0	0	111.2	S4	S2-S4 PolarHBondContact O-N 3.36Å
3	S	47.6	Very low	52.5	Low	106 Å²	106	100.4 Å²	100.4	74%	0.741	55%	0.553	S	S	*	*			trans	-40.9	107.3	160	44.4	0	0	0	0	109.8	M1 D5	M1-S3 PolarHBondContact O-N 3.47Å; S3-D5 PolarHBondContact O-N 3.45Å
4	S	55.3	Low	53.4	Low	90 Å²	90	95.9 Å²	95.9	63%	0.629	53%	0.532	S	S	*	.			trans	-67.1	124.5	161.3	19.3	0	0	0	0	105.7	S2	S2-S4 PolarHBondContact O-N 3.36Å
5	D	51.8	Low	54.7	Low	107 Å²	107	98.3 Å²	98.3	57%	0.572	54%	0.535	S	S	*	.			trans	-64.1	140.2	-172.6	-101	-33	0	0	0	108.6	S3 Y7 E8	S3-D5 PolarHBondContact O-N 3.45Å; D5-Y7 VanDerWaalsContact C-N 3.32Å; D5-Y7 PolarHBondContact O-N 2.8Å; D5-E8 WeakPolarHBondContact O-CA 3.23Å; D5-E8 WeakPolarHBondContact O-CB 3.38Å; D5-E8 PolarHBondContact O-N 2.79Å
6	P	52.8	Low	56	Low	30 Å²	30	97.7 Å²	97.7	20%	0.195	53%	0.53	C	S	.	.	H	α-helix	trans	-46.5	-54.9	179.9	0	-15.8	0	0	0	112.9	E8 C9 Q120 Y121	P6-E8 PolarHBondContact O-N 3.17Å; P6-C9 PolarHBondContact O-N 2.96Å; P6-Q120 VanDerWaalsContact CA-NE2 3.28Å; P6-Q120 WeakPolarHBondContact O-CG 3.18Å; P6-Q120 PolarHBondContact O-NE2 2.86Å; P6-Q120 PolarHBondContact O-OE1 3.13Å; P6-Y121 HydrophobicContact CB-CD1 4.3Å; P6-Y121 HydrophobicContact CB-CD2 4.31Å; P6-Y121 HydrophobicContact CB-CE1 3.47Å; P6-Y121 VanDerWaalsContact CB-CE1 3.47Å; P6-Y121 HydrophobicContact CB-CE2 3.49Å; P6-Y121 VanDerWaalsContact CB-CE2 3.49Å; P6-Y121 WeakPolarHBondContact CB-OH 3.37Å; P6-Y121 HydrophobicContact CG-CE1 3.82Å; P6-Y121 HydrophobicContact CG-CE2 4.26Å; P6-Y121 WeakPolarHBondContact CG-OH 3.38Å
7	Y	53.2	Low	56.9	Low	175 Å²	175	94.4 Å²	94.4	69%	0.686	51%	0.511	S	S	*	.	H	α-helix	trans	-49.2	-29.4	178.6	-75.8	-84.9	0	0	0	114.6	D5 C9 V11	D5-Y7 VanDerWaalsContact C-N 3.32Å; D5-Y7 PolarHBondContact O-N 2.8Å; Y7-C9 PolarHBondContact O-N 3.2Å; Y7-V11 VanDerWaalsContact O-CG2 3.24Å; Y7-V11 WeakPolarHBondContact O-CG2 3.35Å; Y7-V11 PolarHBondContact O-N 3.12Å; Y7-V11 VanDerWaalsContact O-N 3.12Å
8	E	53.6	Low	57.9	Low	110 Å²	110	95.4 Å²	95.4	51%	0.514	51%	0.512	S	S	.	.	H	α-helix	trans	-66.9	-35.7	180	-148.2	172.9	-158.7	0	0	112.6	D5 P6 N12	D5-E8 WeakPolarHBondContact O-CA 3.23Å; D5-E8 WeakPolarHBondContact O-CB 3.38Å; D5-E8 PolarHBondContact O-N 2.79Å; P6-E8 PolarHBondContact O-N 3.17Å; E8-N12 WeakPolarHBondContact O-CB 3.38Å; E8-N12 PolarHBondContact O-N 3.03Å; E8-N12 PolarHBondContact O-ND2 2.94Å; E8-N12 VanDerWaalsContact O-ND2 3.14Å
9	C	53.1	Low	59	Low	55 Å²	55	96.8 Å²	96.8	37%	0.372	51%	0.513	S	S	.	.	H	α-helix	trans	-79.5	-27.4	-177.3	-176.8	0	0	0	0	112.2	P6 Y7 N12 E13 Q120	P6-C9 PolarHBondContact O-N 2.96Å; Y7-C9 PolarHBondContact O-N 3.2Å; C9-N12 WeakPolarHBondContact O-CB 3.36Å; C9-N12 PolarHBondContact O-N 2.89Å; C9-E13 PolarHBondContact O-N 3.39Å; C9-Q120 HydrophobicContact CB-CB 3.24Å; C9-Q120 HydrophobicContact CB-CG 3.91Å; C9-Q120 WeakPolarHBondContact SG-CB 3.37Å
10	L	48.4	Very low	59.8	Low	34 Å²	34	96.9 Å²	96.9	18%	0.178	51%	0.51	C	S	.	.	H	α-helix	trans	-74.2	-41.2	172.9	-171	-176.4	0	0	0	112.2	N12 E13 S14 D119 Q120	L10-N12 PolarHBondContact O-N 3.31Å; L10-E13 PolarHBondContact O-N 2.9Å; L10-S14 PolarHBondContact O-N 3.32Å; L10-S14 VanDerWaalsContact O-N 3.11Å; L10-S14 PolarHBondContact O-OG 3.31Å; L10-D119 WeakPolarHBondContact CB-OD1 3.46Å; L10-D119 HydrophobicContact CD1-CB 4.49Å; L10-D119 WeakPolarHBondContact CD1-OD1 3.13Å; L10-D119 VanDerWaalsContact CD2-CA 3.46Å; L10-D119 HydrophobicContact CD2-CB 3.85Å; L10-D119 WeakPolarHBondContact CD2-OD1 3.01Å; L10-D119 WeakPolarHBondContact CG-OD1 3.23Å; L10-Q120 HydrophobicContact CB-CG 3.72Å
11	V	58.2	Low	60.6	Low	87 Å²	87	94.7 Å²	94.7	53%	0.527	50%	0.501	S	S	.	.	H	α-helix	trans	-61.7	-36.2	168.3	172.5	0	0	0	0	110	Y7 S14 K15	Y7-V11 VanDerWaalsContact O-CG2 3.24Å; Y7-V11 WeakPolarHBondContact O-CG2 3.35Å; Y7-V11 PolarHBondContact O-N 3.12Å; Y7-V11 VanDerWaalsContact O-N 3.12Å; V11-S14 WeakPolarHBondContact CA-OG 3.39Å; V11-S14 PolarHBondContact O-OG 2.97Å; V11-S14 VanDerWaalsContact O-OG 3.05Å; V11-K15 WeakPolarHBondContact O-CB 3.37Å; V11-K15 PolarHBondContact O-N 3.22Å
12	N	62.7	Low	62.5	Low	80 Å²	80	88.3 Å²	88.3	43%	0.428	47%	0.468	S	S	.	.	H	α-helix	trans	-68.4	-45.3	176.2	-74.2	-25.4	0	0	0	113	E8 C9 L10 K15 I16	E8-N12 WeakPolarHBondContact O-CB 3.38Å; E8-N12 PolarHBondContact O-N 3.03Å; E8-N12 PolarHBondContact O-ND2 2.94Å; E8-N12 VanDerWaalsContact O-ND2 3.14Å; C9-N12 WeakPolarHBondContact O-CB 3.36Å; C9-N12 PolarHBondContact O-N 2.89Å; L10-N12 PolarHBondContact O-N 3.31Å; N12-K15 PolarHBondContact O-N 3.43Å; N12-I16 WeakPolarHBondContact O-CB 3.39Å; N12-I16 WeakPolarHBondContact O-CD1 3.43Å; N12-I16 WeakPolarHBondContact O-CG1 3.48Å; N12-I16 PolarHBondContact O-N 3.22Å
13	E	63.4	Low	64.3	Low	73 Å²	73	86.8 Å²	86.8	34%	0.341	45%	0.448	S	S	.	.	H	α-helix	trans	-65.2	-45.7	178.7	-78	-160.7	-175.7	0	0	112.7	C9 L10 K15 I16 I17 V117	C9-E13 PolarHBondContact O-N 3.39Å; L10-E13 PolarHBondContact O-N 2.9Å; E13-K15 VanDerWaalsContact C-N 3.32Å; E13-K15 PolarHBondContact O-N 3.37Å; E13-I16 WeakPolarHBondContact O-CB 3.12Å; E13-I16 PolarHBondContact O-N 3.42Å; E13-I16 VanDerWaalsContact O-N 3.13Å; E13-I17 WeakPolarHBondContact O-CG1 3.45Å; E13-I17 PolarHBondContact O-N 3.48Å; E13-V117 HydrophobicContact CB-CG1 4.45Å
14	S	64.3	Low	65.8	Low	38 Å²	38	89.1 Å²	89.1	27%	0.266	44%	0.441	S	S	.	.	H	α-helix	trans	-59	-44.3	174.8	51.3	0	0	0	0	111.4	L10 V11 I16 I17 E18	L10-S14 PolarHBondContact O-N 3.32Å; L10-S14 VanDerWaalsContact O-N 3.11Å; L10-S14 PolarHBondContact O-OG 3.31Å; V11-S14 WeakPolarHBondContact CA-OG 3.39Å; V11-S14 PolarHBondContact O-OG 2.97Å; V11-S14 VanDerWaalsContact O-OG 3.05Å; S14-I16 VanDerWaalsContact C-N 3.32Å; S14-I16 PolarHBondContact O-N 3.37Å; S14-I17 PolarHBondContact O-N 2.97Å; S14-E18 VanDerWaalsContact O-CB 3.25Å; S14-E18 WeakPolarHBondContact O-CB 3.38Å; S14-E18 PolarHBondContact O-N 3.16Å
15	K	72.9	Confident	66.8	Low	132 Å²	132	90.2 Å²	90.2	57%	0.574	44%	0.439	S	S	*	.	H	α-helix	trans	-64.7	-31.8	174.7	-170.6	174.6	-173.1	174.8	0	113.2	V11 N12 E13 K19	V11-K15 WeakPolarHBondContact O-CB 3.37Å; V11-K15 PolarHBondContact O-N 3.22Å; N12-K15 PolarHBondContact O-N 3.43Å; E13-K15 VanDerWaalsContact C-N 3.32Å; E13-K15 PolarHBondContact O-N 3.37Å; K15-K19 WeakPolarHBondContact O-CB 3.42Å; K15-K19 PolarHBondContact O-N 3.03Å
16	I	75.2	Confident	68.3	Low	88 Å²	88	89.8 Å²	89.8	45%	0.451	43%	0.433	S	S	.	.	H	α-helix	trans	-69.5	-45.8	174.1	-72.6	160.8	0	0	0	110.3	N12 E13 S14 K19 H20	N12-I16 WeakPolarHBondContact O-CB 3.39Å; N12-I16 WeakPolarHBondContact O-CD1 3.43Å; N12-I16 WeakPolarHBondContact O-CG1 3.48Å; N12-I16 PolarHBondContact O-N 3.22Å; E13-I16 WeakPolarHBondContact O-CB 3.12Å; E13-I16 PolarHBondContact O-N 3.42Å; E13-I16 VanDerWaalsContact O-N 3.13Å; S14-I16 VanDerWaalsContact C-N 3.32Å; S14-I16 PolarHBondContact O-N 3.37Å; I16-K19 PolarHBondContact O-N 3.31Å; I16-H20 WeakPolarHBondContact O-CB 3.36Å; I16-H20 PolarHBondContact O-CD2 3.1Å; I16-H20 VanDerWaalsContact O-CD2 3.23Å; I16-H20 PolarHBondContact O-N 3.44Å
17	I	72	Confident	69.7	Low	41 Å²	41	92.1 Å²	92.1	21%	0.21	44%	0.444	C	S	.	.	H	α-helix	trans	-67.9	-42.5	178.9	-60.9	163.3	0	0	0	110.6	E13 S14 H20 T21 V117 M128	E13-I17 WeakPolarHBondContact O-CG1 3.45Å; E13-I17 PolarHBondContact O-N 3.48Å; S14-I17 PolarHBondContact O-N 2.97Å; I17-H20 PolarHBondContact O-N 3.11Å; I17-T21 VanDerWaalsContact O-CB 3.28Å; I17-T21 WeakPolarHBondContact O-CB 3.32Å; I17-T21 PolarHBondContact O-N 3.34Å; I17-T21 PolarHBondContact O-OG1 3.4Å; I17-V117 HydrophobicContact CD1-CB 4.37Å; I17-V117 HydrophobicContact CD1-CG1 3.73Å; I17-V117 HydrophobicContact CD1-CG2 3.64Å; I17-M128 HydrophobicContact CB-CE 3.78Å; I17-M128 HydrophobicContact CB-SD 4.03Å; I17-M128 HydrophobicContact CD1-CE 3.72Å; I17-M128 HydrophobicContact CD1-SD 3.93Å; I17-M128 HydrophobicContact CG1-CE 4.38Å; I17-M128 HydrophobicContact CG2-CE 3.75Å; I17-M128 HydrophobicContact CG2-SD 3.32Å; I17-M128 WeakPolarHBondContact CG2-SD 3.45Å
18	E	75.1	Confident	70.8	Confident	114 Å²	114	87.6 Å²	87.6	53%	0.533	43%	0.432	S	S	.	.	H	α-helix	trans	-56.2	-52.8	172.8	-176.1	175.6	-156.4	0	0	109.8	S14 H20 T21 E22	S14-E18 VanDerWaalsContact O-CB 3.25Å; S14-E18 WeakPolarHBondContact O-CB 3.38Å; S14-E18 PolarHBondContact O-N 3.16Å; E18-H20 VanDerWaalsContact C-N 3.34Å; E18-H20 PolarHBondContact O-N 2.98Å; E18-T21 CarbonylContact O-C 3.55Å; E18-T21 PolarHBondContact O-N 2.98Å; E18-E22 HydrophobicContact CG-CG 4.44Å; E18-E22 WeakPolarHBondContact O-CB 3.41Å; E18-E22 WeakPolarHBondContact O-CG 3.35Å; E18-E22 PolarHBondContact O-N 3.48Å
19	K	77.8	Confident	72.1	Confident	121 Å²	121	87.9 Å²	87.9	53%	0.526	43%	0.433	S	S	.	.	H	α-helix	trans	-57	-42.7	176.3	-177.7	-179.2	180	-177.5	0	113	K15 I16 Q23	K15-K19 WeakPolarHBondContact O-CB 3.42Å; K15-K19 PolarHBondContact O-N 3.03Å; I16-K19 PolarHBondContact O-N 3.31Å; K19-Q23 WeakPolarHBondContact O-CB 3.28Å; K19-Q23 WeakPolarHBondContact O-CG 3.48Å; K19-Q23 PolarHBondContact O-N 2.65Å
20	H	75.9	Confident	73.7	Confident	99 Å²	99	91.9 Å²	91.9	46%	0.458	44%	0.44	S	S	.	.	H	α-helix	trans	-69	-35.8	176.8	-85.3	-63.3	0	0	0	112.5	I16 I17 E18 Q23 R24	I16-H20 WeakPolarHBondContact O-CB 3.36Å; I16-H20 PolarHBondContact O-CD2 3.1Å; I16-H20 VanDerWaalsContact O-CD2 3.23Å; I16-H20 PolarHBondContact O-N 3.44Å; I17-H20 PolarHBondContact O-N 3.11Å; E18-H20 VanDerWaalsContact C-N 3.34Å; E18-H20 PolarHBondContact O-N 2.98Å; H20-Q23 PolarHBondContact O-N 2.7Å; H20-R24 VanDerWaalsContact O-CG 3.3Å; H20-R24 WeakPolarHBondContact O-CG 3.47Å; H20-R24 PolarHBondContact O-N 2.93Å
21	T	76.1	Confident	75.2	Confident	51 Å²	51	95.2 Å²	95.2	31%	0.313	46%	0.456	S	S	.	.	H	α-helix	trans	-69.3	-45	177	-56.3	0	0	0	0	110.3	I17 E18 Q23 R24 L25	I17-T21 VanDerWaalsContact O-CB 3.28Å; I17-T21 WeakPolarHBondContact O-CB 3.32Å; I17-T21 PolarHBondContact O-N 3.34Å; I17-T21 PolarHBondContact O-OG1 3.4Å; E18-T21 CarbonylContact O-C 3.55Å; E18-T21 PolarHBondContact O-N 2.98Å; T21-Q23 PolarHBondContact O-N 3.27Å; T21-R24 WeakPolarHBondContact O-CB 3.38Å; T21-R24 PolarHBondContact O-N 2.92Å; T21-L25 HydrophobicContact CG2-CD1 4.23Å; T21-L25 WeakPolarHBondContact O-CB 3.49Å; T21-L25 WeakPolarHBondContact O-CG 3.15Å; T21-L25 PolarHBondContact O-N 3.03Å
22	E	79.9	Confident	76.4	Confident	110 Å²	110	94 Å²	94	51%	0.514	45%	0.447	S	S	.	.	H	α-helix	trans	-58.4	-45	171.8	-73.7	-178.6	161.3	0	0	111.6	E18 R24 L25 Q26	E18-E22 HydrophobicContact CG-CG 4.44Å; E18-E22 WeakPolarHBondContact O-CB 3.41Å; E18-E22 WeakPolarHBondContact O-CG 3.35Å; E18-E22 PolarHBondContact O-N 3.48Å; E22-R24 VanDerWaalsContact C-N 3.32Å; E22-R24 PolarHBondContact O-N 2.85Å; E22-L25 PolarHBondContact O-N 3.19Å; E22-Q26 VanDerWaalsContact O-CB 3.23Å; E22-Q26 WeakPolarHBondContact O-CB 3.43Å; E22-Q26 PolarHBondContact O-N 2.87Å
23	Q	81.4	Confident	77.6	Confident	81 Å²	81	93.7 Å²	93.7	38%	0.379	45%	0.445	S	S	.	.	H	α-helix	trans	-61.2	-39.6	175.4	-78	175.7	-2.9	0	0	112.3	K19 H20 T21 N27	K19-Q23 WeakPolarHBondContact O-CB 3.28Å; K19-Q23 WeakPolarHBondContact O-CG 3.48Å; K19-Q23 PolarHBondContact O-N 2.65Å; H20-Q23 PolarHBondContact O-N 2.7Å; T21-Q23 PolarHBondContact O-N 3.27Å; Q23-N27 WeakPolarHBondContact O-CB 3.42Å; Q23-N27 PolarHBondContact O-N 3.16Å; Q23-N27 PolarHBondContact O-ND2 3.35Å
24	R	78	Confident	78.7	Confident	156 Å²	156	94.7 Å²	94.7	59%	0.589	45%	0.452	S	S	*	.	H	α-helix	trans	-65.3	-51	174.8	-74.9	172.5	-177.8	169.9	1	111.1	H20 T21 E22 Q26 N27 D28	H20-R24 VanDerWaalsContact O-CG 3.3Å; H20-R24 WeakPolarHBondContact O-CG 3.47Å; H20-R24 PolarHBondContact O-N 2.93Å; T21-R24 WeakPolarHBondContact O-CB 3.38Å; T21-R24 PolarHBondContact O-N 2.92Å; E22-R24 VanDerWaalsContact C-N 3.32Å; E22-R24 PolarHBondContact O-N 2.85Å; R24-Q26 VanDerWaalsContact C-N 3.28Å; R24-Q26 PolarHBondContact O-N 3.11Å; R24-N27 PolarHBondContact O-N 3.47Å; R24-N27 VanDerWaalsContact O-N 3.13Å; R24-D28 WeakPolarHBondContact O-CB 3.42Å; R24-D28 PolarHBondContact O-N 3.2Å
25	L	76.9	Confident	79.6	Confident	112 Å²	112	94.7 Å²	94.7	59%	0.586	45%	0.449	S	S	*	.	H	α-helix	trans	-57	-41.8	176.6	-71.1	172.1	0	0	0	111.7	T21 E22 D28 H29	T21-L25 HydrophobicContact CG2-CD1 4.23Å; T21-L25 WeakPolarHBondContact O-CB 3.49Å; T21-L25 WeakPolarHBondContact O-CG 3.15Å; T21-L25 PolarHBondContact O-N 3.03Å; E22-L25 PolarHBondContact O-N 3.19Å; L25-D28 PolarHBondContact O-N 3.36Å; L25-H29 VanDerWaalsContact O-CB 3.28Å; L25-H29 WeakPolarHBondContact O-CB 3.4Å; L25-H29 PolarHBondContact O-N 3.17Å
26	Q	83.1	Confident	80.3	Confident	98 Å²	98	93.3 Å²	93.3	46%	0.458	45%	0.447	S	S	.	.	H	α-helix	trans	-67.7	-40.2	177.8	-170.5	178.3	24.3	0	0	111.9	E22 R24 R30	E22-Q26 VanDerWaalsContact O-CB 3.23Å; E22-Q26 WeakPolarHBondContact O-CB 3.43Å; E22-Q26 PolarHBondContact O-N 2.87Å; R24-Q26 VanDerWaalsContact C-N 3.28Å; R24-Q26 PolarHBondContact O-N 3.11Å; Q26-R30 VanDerWaalsContact NE2-NH2 3.18Å; Q26-R30 WeakPolarHBondContact O-CB 3.31Å; Q26-R30 VanDerWaalsContact O-CG 3.24Å; Q26-R30 WeakPolarHBondContact O-CG 3.43Å; Q26-R30 PolarHBondContact O-N 3.07Å
27	N	81.5	Confident	81.1	Confident	80 Å²	80	94.3 Å²	94.3	43%	0.428	45%	0.453	S	S	.	.	H	α-helix	trans	-67.1	-42.5	175.6	-74.2	-21.7	0	0	0	111.3	Q23 R24 R30 M31	Q23-N27 WeakPolarHBondContact O-CB 3.42Å; Q23-N27 PolarHBondContact O-N 3.16Å; Q23-N27 PolarHBondContact O-ND2 3.35Å; R24-N27 PolarHBondContact O-N 3.47Å; R24-N27 VanDerWaalsContact O-N 3.13Å; N27-R30 PolarHBondContact O-N 3.3Å; N27-M31 VanDerWaalsContact O-CG 3.29Å; N27-M31 WeakPolarHBondContact O-CG 3.44Å; N27-M31 PolarHBondContact O-N 3.1Å
28	D	77.8	Confident	81.8	Confident	79 Å²	79	94.2 Å²	94.2	42%	0.422	45%	0.454	S	S	.	.	H	α-helix	trans	-59.7	-48.7	175.1	-77	-30.1	0	0	0	111	R24 L25 R30 M31 D32 K147	R24-D28 WeakPolarHBondContact O-CB 3.42Å; R24-D28 PolarHBondContact O-N 3.2Å; L25-D28 PolarHBondContact O-N 3.36Å; D28-R30 VanDerWaalsContact C-N 3.32Å; D28-R30 PolarHBondContact O-N 3.18Å; D28-M31 PolarHBondContact O-N 3.14Å; D28-M31 VanDerWaalsContact O-N 3.12Å; D28-D32 PolarHBondContact O-N 3.24Å; D28-D32 VanDerWaalsContact O-OD2 3.06Å; D28-K147 IonicContact OD1-NZ 3.74Å
29	H	81.3	Confident	82.5	Confident	116 Å²	116	89.5 Å²	89.5	54%	0.537	43%	0.431	S	S	.	.	H	α-helix	trans	-60.4	-38.6	176	179.6	-105.9	0	0	0	112.6	L25 N33	L25-H29 VanDerWaalsContact O-CB 3.28Å; L25-H29 WeakPolarHBondContact O-CB 3.4Å; L25-H29 PolarHBondContact O-N 3.17Å; H29-N33 PolarHBondContact CE1-ND2 3.28Å; H29-N33 PolarHBondContact ND1-ND2 3.24Å; H29-N33 PolarHBondContact NE2-ND2 3.43Å; H29-N33 VanDerWaalsContact NE2-ND2 3.18Å; H29-N33 WeakPolarHBondContact O-CB 3.07Å; H29-N33 VanDerWaalsContact O-CG 3.24Å; H29-N33 PolarHBondContact O-N 3.21Å; H29-N33 PolarHBondContact O-ND2 3.4Å
30	R	85.7	Confident	83.1	Confident	140 Å²	140	87.9 Å²	87.9	53%	0.528	43%	0.432	S	S	.	.	H	α-helix	trans	-65.4	-40.2	174.4	-77.2	173	-179.7	-179.4	2.8	112	Q26 N27 D28 L34	Q26-R30 VanDerWaalsContact NE2-NH2 3.18Å; Q26-R30 WeakPolarHBondContact O-CB 3.31Å; Q26-R30 VanDerWaalsContact O-CG 3.24Å; Q26-R30 WeakPolarHBondContact O-CG 3.43Å; Q26-R30 PolarHBondContact O-N 3.07Å; N27-R30 PolarHBondContact O-N 3.3Å; D28-R30 VanDerWaalsContact C-N 3.32Å; D28-R30 PolarHBondContact O-N 3.18Å; R30-L34 WeakPolarHBondContact O-CB 3.22Å; R30-L34 PolarHBondContact O-N 2.99Å
31	M	80.8	Confident	83.9	Confident	104 Å²	104	86.7 Å²	86.7	51%	0.512	43%	0.431	S	S	.	.	H	α-helix	trans	-68.1	-43.2	177.7	-67.8	-59.7	156.5	0	0	111.5	N27 D28 N33 L34 I35	N27-M31 VanDerWaalsContact O-CG 3.29Å; N27-M31 WeakPolarHBondContact O-CG 3.44Å; N27-M31 PolarHBondContact O-N 3.1Å; D28-M31 PolarHBondContact O-N 3.14Å; D28-M31 VanDerWaalsContact O-N 3.12Å; M31-N33 PolarHBondContact O-N 3.21Å; M31-L34 WeakPolarHBondContact O-CB 3.29Å; M31-L34 PolarHBondContact O-N 3.25Å; M31-I35 WeakPolarHBondContact O-CG1 3.43Å; M31-I35 PolarHBondContact O-N 3.21Å
32	D	82.3	Confident	84.6	Confident	62 Å²	62	84.5 Å²	84.5	33%	0.332	42%	0.417	S	S	.	.	H	α-helix	trans	-58.3	-47.9	174.4	-73.9	-41.9	0	0	0	111.2	D28 L34 I35 L36 K147	D28-D32 PolarHBondContact O-N 3.24Å; D28-D32 VanDerWaalsContact O-OD2 3.06Å; D32-L34 VanDerWaalsContact C-N 3.31Å; D32-L34 PolarHBondContact O-N 3.42Å; D32-I35 PolarHBondContact O-N 3.13Å; D32-L36 WeakPolarHBondContact O-CB 3.49Å; D32-L36 VanDerWaalsContact O-CG 3.31Å; D32-L36 WeakPolarHBondContact O-CG 3.09Å; D32-L36 PolarHBondContact O-N 3.43Å; D32-K147 WeakPolarHBondContact OD1-CE 3.49Å; D32-K147 IonicContact OD1-NZ 3.84Å; D32-K147 PolarHBondContact OD1-NZ 3.22Å; D32-K147 VanDerWaalsContact OD2-CE 3.28Å; D32-K147 WeakPolarHBondContact OD2-CE 3.45Å; D32-K147 IonicContact OD2-NZ 3.25Å; D32-K147 PolarHBondContact OD2-NZ 3.49Å
33	N	88.2	Confident	85.1	Confident	73 Å²	73	80.6 Å²	80.6	39%	0.39	40%	0.4	S	S	.	.	H	α-helix	trans	-64.7	-33.3	176.8	-72.7	-31.4	0	0	0	113.1	H29 M31 L37	H29-N33 PolarHBondContact CE1-ND2 3.28Å; H29-N33 PolarHBondContact ND1-ND2 3.24Å; H29-N33 PolarHBondContact NE2-ND2 3.43Å; H29-N33 VanDerWaalsContact NE2-ND2 3.18Å; H29-N33 WeakPolarHBondContact O-CB 3.07Å; H29-N33 VanDerWaalsContact O-CG 3.24Å; H29-N33 PolarHBondContact O-N 3.21Å; H29-N33 PolarHBondContact O-ND2 3.4Å; M31-N33 PolarHBondContact O-N 3.21Å; N33-L37 WeakPolarHBondContact O-CB 3.49Å; N33-L37 PolarHBondContact O-N 3.44Å
34	L	86.6	Confident	85.6	Confident	93 Å²	93	80 Å²	80	49%	0.487	40%	0.402	S	S	.	.	H	α-helix	trans	-66.9	-44.6	174.8	-173.6	153	0	0	0	111	R30 M31 D32 L37 V38	R30-L34 WeakPolarHBondContact O-CB 3.22Å; R30-L34 PolarHBondContact O-N 2.99Å; M31-L34 WeakPolarHBondContact O-CB 3.29Å; M31-L34 PolarHBondContact O-N 3.25Å; D32-L34 VanDerWaalsContact C-N 3.31Å; D32-L34 PolarHBondContact O-N 3.42Å; L34-L37 PolarHBondContact O-N 3.25Å; L34-V38 HydrophobicContact CD2-CG2 4.17Å; L34-V38 WeakPolarHBondContact O-CG2 3.44Å; L34-V38 PolarHBondContact O-N 3.47Å
35	I	84	Confident	86.2	Confident	38 Å²	38	76.3 Å²	76.3	20%	0.195	39%	0.393	C	S	.	.	H	α-helix	trans	-62	-46.8	176.6	-68	167.4	0	0	0	110.2	M31 D32 L37 V38 Y39 K147 A148	M31-I35 WeakPolarHBondContact O-CG1 3.43Å; M31-I35 PolarHBondContact O-N 3.21Å; D32-I35 PolarHBondContact O-N 3.13Å; I35-L37 VanDerWaalsContact C-N 3.34Å; I35-L37 PolarHBondContact O-N 2.77Å; I35-V38 WeakPolarHBondContact O-CB 3.42Å; I35-V38 PolarHBondContact O-N 3.49Å; I35-Y39 HydrophobicContact CG2-CD2 3.85Å; I35-Y39 HydrophobicContact CG2-CE2 3.5Å; I35-Y39 VanDerWaalsContact CG2-CE2 3.5Å; I35-Y39 WeakPolarHBondContact O-CD2 3.46Å; I35-Y39 PolarHBondContact O-N 3.41Å; I35-Y39 VanDerWaalsContact O-N 3.07Å; I35-K147 HydrophobicContact CD1-CG 4.44Å; I35-A148 HydrophobicContact CD1-CB 4.29Å
36	L	87.4	Confident	86.7	Confident	103 Å²	103	71 Å²	71	54%	0.539	37%	0.366	S	S	.	.	H	α-helix	trans	-60.6	-42.2	175.7	-70.2	173.8	0	0	0	111.8	D32 V38 Y39 V40	D32-L36 WeakPolarHBondContact O-CB 3.49Å; D32-L36 VanDerWaalsContact O-CG 3.31Å; D32-L36 WeakPolarHBondContact O-CG 3.09Å; D32-L36 PolarHBondContact O-N 3.43Å; L36-V38 VanDerWaalsContact C-N 3.34Å; L36-V38 PolarHBondContact O-N 3.2Å; L36-Y39 PolarHBondContact O-N 3.25Å; L36-V40 WeakPolarHBondContact O-CG2 3.45Å; L36-V40 PolarHBondContact O-N 2.73Å
37	L	90.5	Very high	87	Confident	109 Å²	109	68.9 Å²	68.9	57%	0.571	36%	0.359	S	S	*	.	H	α-helix	trans	-61.2	-42.5	175.7	-179	66.3	0	0	0	111.6	N33 L34 I35 Y39 V40 V41	N33-L37 WeakPolarHBondContact O-CB 3.49Å; N33-L37 PolarHBondContact O-N 3.44Å; L34-L37 PolarHBondContact O-N 3.25Å; I35-L37 VanDerWaalsContact C-N 3.34Å; I35-L37 PolarHBondContact O-N 2.77Å; L37-Y39 VanDerWaalsContact C-N 3.31Å; L37-Y39 PolarHBondContact O-N 2.85Å; L37-V40 PolarHBondContact O-N 3.42Å; L37-V41 HydrophobicContact CD1-CG2 4.31Å; L37-V41 HydrophobicContact CG-CG2 4.41Å; L37-V41 WeakPolarHBondContact O-CB 3.23Å; L37-V41 VanDerWaalsContact O-CG2 3.3Å; L37-V41 WeakPolarHBondContact O-CG2 3.09Å; L37-V41 PolarHBondContact O-N 3.39Å
38	V	88.6	Confident	87.5	Confident	39 Å²	39	69.4 Å²	69.4	24%	0.236	36%	0.361	C	S	.	.	H	α-helix	trans	-58.6	-43.9	175.2	169.6	0	0	0	0	110.6	L34 I35 L36 V41 L42 V74	L34-V38 HydrophobicContact CD2-CG2 4.17Å; L34-V38 WeakPolarHBondContact O-CG2 3.44Å; L34-V38 PolarHBondContact O-N 3.47Å; I35-V38 WeakPolarHBondContact O-CB 3.42Å; I35-V38 PolarHBondContact O-N 3.49Å; L36-V38 VanDerWaalsContact C-N 3.34Å; L36-V38 PolarHBondContact O-N 3.2Å; V38-V41 PolarHBondContact O-N 3.08Å; V38-L42 HydrophobicContact CG1-CD1 4.26Å; V38-L42 WeakPolarHBondContact O-CB 3.21Å; V38-L42 WeakPolarHBondContact O-CG 3.44Å; V38-L42 PolarHBondContact O-N 2.71Å; V38-V74 HydrophobicContact CG1-CG1 3.63Å
39	Y	89.1	Confident	87.8	Confident	15 Å²	15	66.6 Å²	66.6	6%	0.059	35%	0.347	C	S	.	.	H	α-helix	trans	-66	-40.3	176.1	-74.8	-61.5	0	0	0	113.2	I35 L36 L37 L42 L43 F389 Y393 V396	I35-Y39 HydrophobicContact CG2-CD2 3.85Å; I35-Y39 HydrophobicContact CG2-CE2 3.5Å; I35-Y39 VanDerWaalsContact CG2-CE2 3.5Å; I35-Y39 WeakPolarHBondContact O-CD2 3.46Å; I35-Y39 PolarHBondContact O-N 3.41Å; I35-Y39 VanDerWaalsContact O-N 3.07Å; L36-Y39 PolarHBondContact O-N 3.25Å; L37-Y39 VanDerWaalsContact C-N 3.31Å; L37-Y39 PolarHBondContact O-N 2.85Å; Y39-L42 HydrophobicContact CD1-CD1 4.32Å; Y39-L42 WeakPolarHBondContact O-CB 3.44Å; Y39-L42 PolarHBondContact O-N 3.41Å; Y39-L43 WeakPolarHBondContact O-CB 3.35Å; Y39-L43 PolarHBondContact O-N 3.16Å; Y39-F389 HydrophobicContact CD1-CE2 4.48Å; Y39-F389 HydrophobicContact CG-CE2 4.32Å; Y39-Y393 HydrophobicContact CD1-CD2 4.17Å; Y39-Y393 AromaticContact CE1-CD2 3.59Å; Y39-Y393 HydrophobicContact CE1-CD2 3.59Å; Y39-Y393 AromaticContact CE1-CE2 3.92Å; Y39-Y393 HydrophobicContact CE1-CE2 3.92Å; Y39-Y393 HydrophobicContact CE1-CG 4.06Å; Y39-Y393 HydrophobicContact CE2-CD2 4.29Å; Y39-Y393 AromaticContact CE2-CE2 3.79Å; Y39-Y393 HydrophobicContact CE2-CE2 3.79Å; Y39-Y393 AromaticContact CZ-CD2 3.67Å; Y39-Y393 AromaticContact CZ-CE2 3.47Å; Y39-Y393 VanDerWaalsContact CZ-CE2 3.47Å; Y39-Y393 AromaticContact CZ-CZ 3.87Å; Y39-Y393 WeakPolarHBondContact OH-CE2 3.1Å; Y39-V396 HydrophobicContact CE1-CB 4.18Å; Y39-V396 HydrophobicContact CE1-CG1 4.31Å; Y39-V396 HydrophobicContact CE1-CG2 3.99Å
40	V	91.2	Very high	88	Confident	88 Å²	88	62.1 Å²	62.1	53%	0.533	33%	0.327	S	S	.	.	H	α-helix	trans	-65	-41.5	176.3	171.3	0	0	0	0	111.2	L36 L37 L43 T44	L36-V40 WeakPolarHBondContact O-CG2 3.45Å; L36-V40 PolarHBondContact O-N 2.73Å; L37-V40 PolarHBondContact O-N 3.42Å; V40-L43 PolarHBondContact O-N 3.28Å; V40-T44 WeakPolarHBondContact O-CB 3.48Å; V40-T44 PolarHBondContact O-N 3.46Å; V40-T44 PolarHBondContact O-OG1 2.68Å
41	V	91.9	Very high	88	Confident	73 Å²	73	63.6 Å²	63.6	44%	0.442	33%	0.332	S	S	.	.	H	α-helix	trans	-65.1	-45.3	175.5	170.9	0	0	0	0	110.6	L37 V38 L43 T44 L45	L37-V41 HydrophobicContact CD1-CG2 4.31Å; L37-V41 HydrophobicContact CG-CG2 4.41Å; L37-V41 WeakPolarHBondContact O-CB 3.23Å; L37-V41 VanDerWaalsContact O-CG2 3.3Å; L37-V41 WeakPolarHBondContact O-CG2 3.09Å; L37-V41 PolarHBondContact O-N 3.39Å; V38-V41 PolarHBondContact O-N 3.08Å; V41-L43 VanDerWaalsContact C-N 3.31Å; V41-L43 PolarHBondContact O-N 3.42Å; V41-T44 PolarHBondContact O-N 3.28Å; V41-L45 HydrophobicContact CG1-CD1 4.05Å; V41-L45 HydrophobicContact CG1-CG 4.34Å; V41-L45 WeakPolarHBondContact O-CB 3.43Å; V41-L45 WeakPolarHBondContact O-CG 3.43Å; V41-L45 PolarHBondContact O-N 3.42Å
42	L	90.4	Very high	88.3	Confident	5 Å²	5	60.3 Å²	60.3	3%	0.026	32%	0.322	C	S	.	.	H	α-helix	trans	-55.4	-47.4	174.5	-89	175.8	0	0	0	111.8	V38 Y39 L45 S46 V74 V396	V38-L42 HydrophobicContact CG1-CD1 4.26Å; V38-L42 WeakPolarHBondContact O-CB 3.21Å; V38-L42 WeakPolarHBondContact O-CG 3.44Å; V38-L42 PolarHBondContact O-N 2.71Å; Y39-L42 HydrophobicContact CD1-CD1 4.32Å; Y39-L42 WeakPolarHBondContact O-CB 3.44Å; Y39-L42 PolarHBondContact O-N 3.41Å; L42-L45 PolarHBondContact O-N 3.26Å; L42-S46 PolarHBondContact O-N 2.99Å; L42-V74 HydrophobicContact CD1-CB 4Å; L42-V74 HydrophobicContact CD1-CG1 3.91Å; L42-V74 HydrophobicContact CD1-CG2 4.19Å; L42-V74 HydrophobicContact CD2-CB 4.05Å; L42-V74 HydrophobicContact CD2-CG2 3.44Å; L42-V74 VanDerWaalsContact CD2-CG2 3.44Å; L42-V74 HydrophobicContact CG-CB 4.37Å; L42-V74 HydrophobicContact CG-CG1 4.45Å; L42-V74 HydrophobicContact CG-CG2 3.99Å; L42-V396 HydrophobicContact CD1-CG2 3.75Å
43	L	90.3	Very high	88.3	Confident	29 Å²	29	60.1 Å²	60.1	15%	0.152	32%	0.318	C	S	.	.	H	α-helix	trans	-65.3	-43	178.8	-172.5	135.9	0	0	0	111.2	Y39 V40 V41 L45 S46 V47 L385 F389	Y39-L43 WeakPolarHBondContact O-CB 3.35Å; Y39-L43 PolarHBondContact O-N 3.16Å; V40-L43 PolarHBondContact O-N 3.28Å; V41-L43 VanDerWaalsContact C-N 3.31Å; V41-L43 PolarHBondContact O-N 3.42Å; L43-L45 VanDerWaalsContact C-N 3.35Å; L43-L45 PolarHBondContact O-N 3.23Å; L43-S46 WeakPolarHBondContact CA-OG 3.3Å; L43-S46 PolarHBondContact O-N 3.4Å; L43-S46 PolarHBondContact O-OG 3.49Å; L43-V47 HydrophobicContact CD2-CG2 4.39Å; L43-V47 WeakPolarHBondContact O-CG2 3.37Å; L43-V47 PolarHBondContact O-N 3.15Å; L43-L385 HydrophobicContact CD1-CD1 3.48Å; L43-L385 VanDerWaalsContact CD1-CD1 3.48Å; L43-L385 HydrophobicContact CD1-CG 4.2Å; L43-L385 HydrophobicContact CD2-CD1 3.3Å; L43-L385 HydrophobicContact CG-CD1 3.91Å; L43-F389 HydrophobicContact CD1-CB 3.78Å; L43-F389 HydrophobicContact CD1-CD2 4.04Å; L43-F389 HydrophobicContact CD1-CG 4.43Å
44	T	92.3	Very high	87.9	Confident	67 Å²	67	65.2 Å²	65.2	41%	0.411	34%	0.337	S	S	.	.	H	α-helix	trans	-60.1	-44.8	175.9	-56.5	0	0	0	0	111.4	V40 V41 V47 I48	V40-T44 WeakPolarHBondContact O-CB 3.48Å; V40-T44 PolarHBondContact O-N 3.46Å; V40-T44 PolarHBondContact O-OG1 2.68Å; V41-T44 PolarHBondContact O-N 3.28Å; T44-V47 PolarHBondContact O-N 3.03Å; T44-I48 HydrophobicContact CG2-CD1 3.88Å; T44-I48 VanDerWaalsContact O-CG1 3.3Å; T44-I48 WeakPolarHBondContact O-CG1 3.36Å; T44-I48 PolarHBondContact O-N 3.18Å
45	L	90.8	Very high	87.7	Confident	79 Å²	79	67.7 Å²	67.7	41%	0.414	35%	0.346	S	S	.	.	H	α-helix	trans	-63.5	-40.7	175.5	-71.3	176.2	0	0	0	111.8	V41 L42 L43 V47 I48 T49	V41-L45 HydrophobicContact CG1-CD1 4.05Å; V41-L45 HydrophobicContact CG1-CG 4.34Å; V41-L45 WeakPolarHBondContact O-CB 3.43Å; V41-L45 WeakPolarHBondContact O-CG 3.43Å; V41-L45 PolarHBondContact O-N 3.42Å; L42-L45 PolarHBondContact O-N 3.26Å; L43-L45 VanDerWaalsContact C-N 3.35Å; L43-L45 PolarHBondContact O-N 3.23Å; L45-V47 PolarHBondContact O-N 3.14Å; L45-I48 PolarHBondContact O-N 3.07Å; L45-T49 WeakPolarHBondContact O-CB 3.41Å; L45-T49 WeakPolarHBondContact O-CG2 3.4Å; L45-T49 PolarHBondContact O-N 2.89Å; L45-T49 PolarHBondContact O-OG1 3.39Å
46	S	87.8	Confident	87.6	Confident	1 Å²	1	75 Å²	75	1%	0.007	37%	0.371	C	S	.	.	H	α-helix	trans	-58.8	-47.7	175.1	74.5	0	0	0	0	110.8	L42 L43 I48 T49 I50	L42-S46 PolarHBondContact O-N 2.99Å; L43-S46 WeakPolarHBondContact CA-OG 3.3Å; L43-S46 PolarHBondContact O-N 3.4Å; L43-S46 PolarHBondContact O-OG 3.49Å; S46-I48 PolarHBondContact O-N 2.85Å; S46-T49 WeakPolarHBondContact CA-OG1 3.34Å; S46-T49 PolarHBondContact O-N 3.02Å; S46-T49 PolarHBondContact O-OG1 2.93Å; S46-I50 WeakPolarHBondContact O-CB 3.49Å; S46-I50 WeakPolarHBondContact O-CD1 3.04Å; S46-I50 WeakPolarHBondContact O-CG1 3.4Å; S46-I50 PolarHBondContact O-N 3.01Å
47	V	89.3	Confident	86.9	Confident	54 Å²	54	80.9 Å²	80.9	33%	0.327	39%	0.386	S	S	.	.	H	α-helix	trans	-64.2	-44.9	179.4	176.2	0	0	0	0	112.2	L43 T44 L45 T49 I50 W51 F384	L43-V47 HydrophobicContact CD2-CG2 4.39Å; L43-V47 WeakPolarHBondContact O-CG2 3.37Å; L43-V47 PolarHBondContact O-N 3.15Å; T44-V47 PolarHBondContact O-N 3.03Å; L45-V47 PolarHBondContact O-N 3.14Å; V47-T49 VanDerWaalsContact C-N 3.28Å; V47-T49 PolarHBondContact O-N 3.29Å; V47-I50 PolarHBondContact O-N 3.4Å; V47-W51 PolarHBondContact O-N 3.28Å; V47-F384 HydrophobicContact CG2-CE1 3.94Å; V47-F384 HydrophobicContact CG2-CZ 4.38Å
48	I	90.4	Very high	85.9	Confident	90 Å²	90	81.8 Å²	81.8	46%	0.462	39%	0.385	S	S	.	.	H	α-helix	trans	-61.5	-40.8	177.5	-69.4	168.9	0	0	0	110.7	T44 L45 S46 W51 A52	T44-I48 HydrophobicContact CG2-CD1 3.88Å; T44-I48 VanDerWaalsContact O-CG1 3.3Å; T44-I48 WeakPolarHBondContact O-CG1 3.36Å; T44-I48 PolarHBondContact O-N 3.18Å; L45-I48 PolarHBondContact O-N 3.07Å; S46-I48 PolarHBondContact O-N 2.85Å; I48-W51 PolarHBondContact O-N 2.83Å; I48-A52 WeakPolarHBondContact O-CB 3.27Å; I48-A52 PolarHBondContact O-N 3.31Å
49	T	86.1	Confident	84.9	Confident	21 Å²	21	87.3 Å²	87.3	13%	0.129	40%	0.402	C	S	.	.	H	α-helix	trans	-71.3	-44.8	-178.9	57.1	0	0	0	0	110.8	L45 S46 V47 W51 A52 F53 L66 Y70	L45-T49 WeakPolarHBondContact O-CB 3.41Å; L45-T49 WeakPolarHBondContact O-CG2 3.4Å; L45-T49 PolarHBondContact O-N 2.89Å; L45-T49 PolarHBondContact O-OG1 3.39Å; S46-T49 WeakPolarHBondContact CA-OG1 3.34Å; S46-T49 PolarHBondContact O-N 3.02Å; S46-T49 PolarHBondContact O-OG1 2.93Å; V47-T49 VanDerWaalsContact C-N 3.28Å; V47-T49 PolarHBondContact O-N 3.29Å; T49-W51 VanDerWaalsContact C-N 3.26Å; T49-W51 PolarHBondContact O-N 3.15Å; T49-A52 CarbonylContact O-C 3.48Å; T49-A52 WeakPolarHBondContact O-CA 3.48Å; T49-A52 WeakPolarHBondContact O-CB 3.22Å; T49-A52 PolarHBondContact O-N 3.41Å; T49-F53 WeakPolarHBondContact O-CB 3.44Å; T49-F53 WeakPolarHBondContact O-CD2 3.35Å; T49-F53 PolarHBondContact O-N 2.91Å; T49-L66 VanDerWaalsContact OG1-CD2 3.22Å; T49-L66 WeakPolarHBondContact OG1-CD2 3.4Å; T49-Y70 HydrophobicContact CG2-CE2 3.84Å; T49-Y70 WeakPolarHBondContact CG2-OH 3.42Å; T49-Y70 WeakPolarHBondContact OG1-CE2 2.94Å
50	I	84	Confident	83.9	Confident	21 Å²	21	95 Å²	95	11%	0.108	43%	0.432	C	S	.	.	H	α-helix	trans	-50.8	-48	171.4	-67.9	155.5	0	0	0	110.7	S46 V47 F53 K54 E63 F384	S46-I50 WeakPolarHBondContact O-CB 3.49Å; S46-I50 WeakPolarHBondContact O-CD1 3.04Å; S46-I50 WeakPolarHBondContact O-CG1 3.4Å; S46-I50 PolarHBondContact O-N 3.01Å; V47-I50 PolarHBondContact O-N 3.4Å; I50-F53 PolarHBondContact O-N 3.19Å; I50-K54 WeakPolarHBondContact O-CB 3.24Å; I50-K54 PolarHBondContact O-N 3.01Å; I50-E63 HydrophobicContact CD1-CB 4.48Å; I50-E63 HydrophobicContact CD1-CG 3.48Å; I50-E63 VanDerWaalsContact CD1-CG 3.48Å; I50-E63 WeakPolarHBondContact CD1-OE1 3.42Å; I50-E63 HydrophobicContact CG1-CB 4.11Å; I50-E63 HydrophobicContact CG1-CG 3.63Å; I50-E63 HydrophobicContact CG2-CG 4.36Å; I50-E63 VanDerWaalsContact CG2-OE2 3.27Å; I50-E63 WeakPolarHBondContact CG2-OE2 3.49Å; I50-F384 HydrophobicContact CD1-CZ 4.26Å
51	W	85.9	Confident	82.9	Confident	171 Å²	171	94.9 Å²	94.9	65%	0.648	43%	0.428	S	S	*	.	H	α-helix	trans	-59.3	-47.5	175	169.2	81.4	0	0	0	112.4	V47 I48 T49 F53 K54 H55	V47-W51 PolarHBondContact O-N 3.28Å; I48-W51 PolarHBondContact O-N 2.83Å; T49-W51 VanDerWaalsContact C-N 3.26Å; T49-W51 PolarHBondContact O-N 3.15Å; W51-F53 VanDerWaalsContact C-N 3.34Å; W51-F53 PolarHBondContact O-N 2.91Å; W51-K54 PolarHBondContact O-N 2.87Å; W51-H55 PolarHBondContact O-N 3.31Å
52	A	86.4	Confident	82.1	Confident	35 Å²	35	92.1 Å²	92.1	29%	0.289	41%	0.41	S	S	.	.	H	α-helix	trans	-62.5	-39	178.4	0	0	0	0	0	112.5	I48 T49 H55 R56	I48-A52 WeakPolarHBondContact O-CB 3.27Å; I48-A52 PolarHBondContact O-N 3.31Å; T49-A52 CarbonylContact O-C 3.48Å; T49-A52 WeakPolarHBondContact O-CA 3.48Å; T49-A52 WeakPolarHBondContact O-CB 3.22Å; T49-A52 PolarHBondContact O-N 3.41Å; A52-H55 PolarHBondContact O-N 3.26Å; A52-R56 WeakPolarHBondContact O-CB 3.15Å; A52-R56 PolarHBondContact O-N 2.77Å
53	F	83.5	Confident	81.5	Confident	58 Å²	58	93.9 Å²	93.9	25%	0.254	42%	0.418	S	S	.	.	H	α-helix	trans	-64.9	-44	175.4	-89.1	-84.9	0	0	0	111.3	T49 I50 W51 H55 R56 R57 F58 I61 L66	T49-F53 WeakPolarHBondContact O-CB 3.44Å; T49-F53 WeakPolarHBondContact O-CD2 3.35Å; T49-F53 PolarHBondContact O-N 2.91Å; I50-F53 PolarHBondContact O-N 3.19Å; W51-F53 VanDerWaalsContact C-N 3.34Å; W51-F53 PolarHBondContact O-N 2.91Å; F53-H55 VanDerWaalsContact C-N 3.32Å; F53-H55 PolarHBondContact O-N 3.42Å; F53-R56 PolarHBondContact O-N 3Å; F53-R57 PolarHBondContact O-N 2.97Å; F53-F58 HydrophobicContact CD1-CB 3.47Å; F53-F58 VanDerWaalsContact CD1-CB 3.47Å; F53-F58 HydrophobicContact CD1-CD2 4.41Å; F53-F58 HydrophobicContact CD1-CG 4.22Å; F53-F58 HydrophobicContact CE1-CB 3.83Å; F53-F58 HydrophobicContact CE1-CD2 4.44Å; F53-F58 HydrophobicContact CE1-CG 4.22Å; F53-F58 PolarHBondContact O-N 3.38Å; F53-I61 HydrophobicContact CE1-CD1 4.23Å; F53-I61 HydrophobicContact CZ-CD1 4.44Å; F53-L66 HydrophobicContact CD2-CD2 3.71Å; F53-L66 HydrophobicContact CE2-CD1 4.21Å; F53-L66 HydrophobicContact CE2-CD2 3.52Å; F53-L66 HydrophobicContact CZ-CD2 4.47Å
54	K	79.2	Confident	81	Confident	181 Å²	181	92.7 Å²	92.7	79%	0.787	41%	0.412	S	S	*	.	H	α-helix	trans	-62.1	-39.8	175.3	-168.6	170.1	-175.7	170.2	0	111.7	I50 W51	I50-K54 WeakPolarHBondContact O-CB 3.24Å; I50-K54 PolarHBondContact O-N 3.01Å; W51-K54 PolarHBondContact O-N 2.87Å
55	H	82.1	Confident	80.5	Confident	145 Å²	145	89.9 Å²	89.9	67%	0.671	40%	0.396	S	S	*	.	H	α-helix	trans	-69.8	-39.2	176.4	-167.6	-71.4	0	0	0	112.7	W51 A52 F53	W51-H55 PolarHBondContact O-N 3.31Å; A52-H55 PolarHBondContact O-N 3.26Å; F53-H55 VanDerWaalsContact C-N 3.32Å; F53-H55 PolarHBondContact O-N 3.42Å
56	R	82	Confident	80.2	Confident	191 Å²	191	87 Å²	87	72%	0.721	38%	0.381	S	S	*	.	H	α-helix	trans	-85	-1.5	-179.9	-73.4	-167.3	178.4	-167.9	0.3	114.8	A52 F53 F58	A52-R56 WeakPolarHBondContact O-CB 3.15Å; A52-R56 PolarHBondContact O-N 2.77Å; F53-R56 PolarHBondContact O-N 3Å; R56-F58 VanDerWaalsContact C-N 3.27Å; R56-F58 HydrophobicContact CB-CD2 3.69Å; R56-F58 HydrophobicContact CB-CE2 3.97Å; R56-F58 PolarHBondContact O-N 3.41Å
57	R	73.5	Confident	80.3	Confident	227 Å²	227	87 Å²	87	86%	0.857	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	34.3	-179	-63.7	-173.1	170.8	-174	-1.6	114.5	F53 R59	F53-R57 PolarHBondContact O-N 2.97Å; R57-R59 PolarHBondContact O-N 2.85Å; R57-R59 VanDerWaalsContact O-N 3.13Å
58	F	69.6	Low	80.3	Confident	127 Å²	127	84.5 Å²	84.5	56%	0.557	37%	0.366	S	S	*	.			trans	-74.4	104.1	172.1	-86.5	-73.9	0	0	0	109.6	F53 R56	F53-F58 HydrophobicContact CD1-CB 3.47Å; F53-F58 VanDerWaalsContact CD1-CB 3.47Å; F53-F58 HydrophobicContact CD1-CD2 4.41Å; F53-F58 HydrophobicContact CD1-CG 4.22Å; F53-F58 HydrophobicContact CE1-CB 3.83Å; F53-F58 HydrophobicContact CE1-CD2 4.44Å; F53-F58 HydrophobicContact CE1-CG 4.22Å; F53-F58 PolarHBondContact O-N 3.38Å; R56-F58 VanDerWaalsContact C-N 3.27Å; R56-F58 HydrophobicContact CB-CD2 3.69Å; R56-F58 HydrophobicContact CB-CE2 3.97Å; R56-F58 PolarHBondContact O-N 3.41Å
59	R	66.7	Low	80.3	Confident	156 Å²	156	83.2 Å²	83.2	59%	0.589	36%	0.362	S	S	*	.			trans	-86.1	-13.7	-168.4	-169	172	-178.7	172.5	1.8	115.3	R57 I552	R57-R59 PolarHBondContact O-N 2.85Å; R57-R59 VanDerWaalsContact O-N 3.13Å; R59-I552 HydrophobicContact CG-CG2 4.34Å; R59-I552 WeakPolarHBondContact O-CD1 3.23Å
60	Y	67.9	Low	80.5	Confident	175 Å²	175	85.5 Å²	85.5	69%	0.686	37%	0.369	S	S	*	.	S	Bend	trans	-91.2	-18.9	-167.9	-69.3	-72.5	0	0	0	115.2
61	I	71.1	Confident	80.8	Confident	87 Å²	87	84.5 Å²	84.5	45%	0.446	36%	0.364	S	S	.	.	S	Bend	trans	-106.1	122.7	-177.4	-60.2	176.6	0	0	0	108.5	F53 L66	F53-I61 HydrophobicContact CE1-CD1 4.23Å; F53-I61 HydrophobicContact CZ-CD1 4.44Å; I61-L66 HydrophobicContact CG2-CB 4.32Å
62	H	74.3	Confident	81.1	Confident	15 Å²	15	79 Å²	79	7%	0.069	35%	0.347	C	S	.	.			trans	-73.9	145.2	172.8	-174.6	-114.2	0	0	0	110.9	T64 G65 L66 I237	H62-T64 PolarHBondContact CE1-OG1 3.03Å; H62-T64 PolarHBondContact ND1-N 3.46Å; H62-T64 PolarHBondContact ND1-OG1 2.79Å; H62-T64 PolarHBondContact O-N 3.5Å; H62-G65 PolarHBondContact O-N 2.73Å; H62-G65 VanDerWaalsContact O-N 3.13Å; H62-L66 PolarHBondContact O-N 3.1Å; H62-I237 VanDerWaalsContact CD2-CG1 3.41Å; H62-I237 WeakPolarHBondContact CD2-CG1 3.29Å; H62-I237 VanDerWaalsContact NE2-CG1 3.27Å; H62-I237 WeakPolarHBondContact NE2-CG1 3.26Å
63	E	77.9	Confident	81.4	Confident	41 Å²	41	80.5 Å²	80.5	19%	0.192	35%	0.352	C	S	.	.	H	α-helix	trans	-49.4	-52.3	178	154.8	163	178.2	0	0	112.7	I50 G65 L66 S67 F384 N388	I50-E63 HydrophobicContact CD1-CB 4.48Å; I50-E63 HydrophobicContact CD1-CG 3.48Å; I50-E63 VanDerWaalsContact CD1-CG 3.48Å; I50-E63 WeakPolarHBondContact CD1-OE1 3.42Å; I50-E63 HydrophobicContact CG1-CB 4.11Å; I50-E63 HydrophobicContact CG1-CG 3.63Å; I50-E63 HydrophobicContact CG2-CG 4.36Å; I50-E63 VanDerWaalsContact CG2-OE2 3.27Å; I50-E63 WeakPolarHBondContact CG2-OE2 3.49Å; E63-G65 VanDerWaalsContact C-N 3.29Å; E63-G65 PolarHBondContact O-N 3.39Å; E63-L66 WeakPolarHBondContact O-CB 3.41Å; E63-L66 PolarHBondContact O-N 3.1Å; E63-L66 VanDerWaalsContact O-N 3.17Å; E63-S67 PolarHBondContact O-N 3.12Å; E63-S67 PolarHBondContact O-OG 3Å; E63-F384 WeakPolarHBondContact OE1-CD2 3.39Å; E63-F384 WeakPolarHBondContact OE1-CE2 3.09Å; E63-F384 WeakPolarHBondContact OE1-CZ 3.42Å; E63-N388 PolarHBondContact OE1-ND2 3.29Å; E63-N388 PolarHBondContact OE1-OD1 3.09Å
64	T	79.5	Confident	81.7	Confident	4 Å²	4	79.1 Å²	79.1	3%	0.025	35%	0.349	C	S	.	.	H	α-helix	trans	-68.3	-29.2	-177.4	65.6	0	0	0	0	113.1	H62 L66 S67 V68 E387 F391	H62-T64 PolarHBondContact CE1-OG1 3.03Å; H62-T64 PolarHBondContact ND1-N 3.46Å; H62-T64 PolarHBondContact ND1-OG1 2.79Å; H62-T64 PolarHBondContact O-N 3.5Å; T64-L66 VanDerWaalsContact C-N 3.28Å; T64-L66 PolarHBondContact O-N 2.92Å; T64-S67 PolarHBondContact O-N 3.41Å; T64-V68 WeakPolarHBondContact O-CG2 3.43Å; T64-V68 PolarHBondContact O-N 2.99Å; T64-V68 VanDerWaalsContact O-N 3.11Å; T64-E387 HydrophobicContact CG2-CG 4.24Å; T64-F391 VanDerWaalsContact CB-CD2 3.44Å; T64-F391 HydrophobicContact CG2-CD2 3.53Å; T64-F391 HydrophobicContact CG2-CE2 3.52Å
65	G	82.5	Confident	82.1	Confident	8 Å²	8	70.5 Å²	70.5	8%	0.082	31%	0.311	C	S	.	.	H	α-helix	trans	-65.8	-34.4	176.6	0	0	0	0	0	111.9	H62 E63 V69	H62-G65 PolarHBondContact O-N 2.73Å; H62-G65 VanDerWaalsContact O-N 3.13Å; E63-G65 VanDerWaalsContact C-N 3.29Å; E63-G65 PolarHBondContact O-N 3.39Å; G65-V69 WeakPolarHBondContact O-CG2 3.3Å; G65-V69 PolarHBondContact O-N 2.92Å
66	L	85.7	Confident	82.4	Confident	20 Å²	20	66.8 Å²	66.8	11%	0.105	30%	0.296	C	S	.	.	H	α-helix	trans	-69.9	-41.8	175.6	-171.6	69.4	0	0	0	111.6	T49 F53 I61 H62 E63 T64 V68 V69 Y70	T49-L66 VanDerWaalsContact OG1-CD2 3.22Å; T49-L66 WeakPolarHBondContact OG1-CD2 3.4Å; F53-L66 HydrophobicContact CD2-CD2 3.71Å; F53-L66 HydrophobicContact CE2-CD1 4.21Å; F53-L66 HydrophobicContact CE2-CD2 3.52Å; F53-L66 HydrophobicContact CZ-CD2 4.47Å; I61-L66 HydrophobicContact CG2-CB 4.32Å; H62-L66 PolarHBondContact O-N 3.1Å; E63-L66 WeakPolarHBondContact O-CB 3.41Å; E63-L66 PolarHBondContact O-N 3.1Å; E63-L66 VanDerWaalsContact O-N 3.17Å; T64-L66 VanDerWaalsContact C-N 3.28Å; T64-L66 PolarHBondContact O-N 2.92Å; L66-V68 VanDerWaalsContact C-N 3.3Å; L66-V68 PolarHBondContact O-N 3.22Å; L66-V69 PolarHBondContact O-N 3.41Å; L66-V69 VanDerWaalsContact O-N 3.12Å; L66-Y70 HydrophobicContact CD1-CD2 4.43Å; L66-Y70 HydrophobicContact CD1-CE2 3.82Å; L66-Y70 HydrophobicContact CD2-CE2 3.77Å; L66-Y70 HydrophobicContact CG-CD2 3.91Å; L66-Y70 HydrophobicContact CG-CE2 3.45Å; L66-Y70 VanDerWaalsContact CG-CE2 3.45Å; L66-Y70 VanDerWaalsContact O-CD2 3.29Å; L66-Y70 WeakPolarHBondContact O-CD2 3.15Å; L66-Y70 PolarHBondContact O-N 3.18Å
67	S	87.9	Confident	82.8	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.007	29%	0.285	C	S	.	.	H	α-helix	trans	-57.4	-41.9	174.4	-59	0	0	0	0	111.8	E63 T64 Y70 G71 N388 A392	E63-S67 PolarHBondContact O-N 3.12Å; E63-S67 PolarHBondContact O-OG 3Å; T64-S67 PolarHBondContact O-N 3.41Å; S67-Y70 PolarHBondContact O-N 3.11Å; S67-G71 PolarHBondContact O-N 2.91Å; S67-N388 PolarHBondContact OG-OD1 3.46Å; S67-N388 VanDerWaalsContact OG-OD1 3.12Å; S67-A392 WeakPolarHBondContact O-CA 3.17Å
68	V	89.4	Confident	83.2	Confident	1 Å²	1	53 Å²	53	1%	0.006	25%	0.253	C	S	.	.	H	α-helix	trans	-61.4	-45.3	173.5	172.4	0	0	0	0	112.1	T64 L66 Y70 G71 L72 F391 M541 V544	T64-V68 WeakPolarHBondContact O-CG2 3.43Å; T64-V68 PolarHBondContact O-N 2.99Å; T64-V68 VanDerWaalsContact O-N 3.11Å; L66-V68 VanDerWaalsContact C-N 3.3Å; L66-V68 PolarHBondContact O-N 3.22Å; V68-Y70 PolarHBondContact O-N 3.2Å; V68-G71 PolarHBondContact O-N 2.91Å; V68-L72 WeakPolarHBondContact O-CB 3.39Å; V68-L72 PolarHBondContact O-N 2.88Å; V68-F391 HydrophobicContact CG2-CB 3.78Å; V68-F391 HydrophobicContact CG2-CD1 3.89Å; V68-F391 HydrophobicContact CG2-CG 4.2Å; V68-M541 HydrophobicContact CG1-CE 3.9Å; V68-M541 HydrophobicContact CG1-SD 3.27Å; V68-M541 WeakPolarHBondContact CG1-SD 2.69Å; V68-V544 HydrophobicContact CG2-CG1 3.93Å
69	V	90.4	Very high	83.8	Confident	63 Å²	63	53.3 Å²	53.3	38%	0.382	25%	0.25	S	C	.	.	H	α-helix	trans	-62.8	-43.2	-179.8	172.1	0	0	0	0	111.2	G65 L66 L72 V73 L545	G65-V69 WeakPolarHBondContact O-CG2 3.3Å; G65-V69 PolarHBondContact O-N 2.92Å; L66-V69 PolarHBondContact O-N 3.41Å; L66-V69 VanDerWaalsContact O-N 3.12Å; V69-L72 WeakPolarHBondContact O-CB 3.4Å; V69-L72 PolarHBondContact O-N 3.41Å; V69-V73 WeakPolarHBondContact O-CG2 3.28Å; V69-V73 PolarHBondContact O-N 3.44Å; V69-L545 HydrophobicContact CG2-CD2 3.9Å
70	Y	90.6	Very high	84.6	Confident	69 Å²	69	54.4 Å²	54.4	27%	0.271	26%	0.255	S	S	.	.	H	α-helix	trans	-62.6	-43.4	174.9	-75.3	-56	0	0	0	112.2	T49 L66 S67 V68 L72 V73 V74	T49-Y70 HydrophobicContact CG2-CE2 3.84Å; T49-Y70 WeakPolarHBondContact CG2-OH 3.42Å; T49-Y70 WeakPolarHBondContact OG1-CE2 2.94Å; L66-Y70 HydrophobicContact CD1-CD2 4.43Å; L66-Y70 HydrophobicContact CD1-CE2 3.82Å; L66-Y70 HydrophobicContact CD2-CE2 3.77Å; L66-Y70 HydrophobicContact CG-CD2 3.91Å; L66-Y70 HydrophobicContact CG-CE2 3.45Å; L66-Y70 VanDerWaalsContact CG-CE2 3.45Å; L66-Y70 VanDerWaalsContact O-CD2 3.29Å; L66-Y70 WeakPolarHBondContact O-CD2 3.15Å; L66-Y70 PolarHBondContact O-N 3.18Å; S67-Y70 PolarHBondContact O-N 3.11Å; V68-Y70 PolarHBondContact O-N 3.2Å; Y70-L72 VanDerWaalsContact C-N 3.3Å; Y70-L72 PolarHBondContact O-N 2.82Å; Y70-V73 PolarHBondContact O-N 3.17Å; Y70-V74 PolarHBondContact O-N 3.04Å
71	G	91.2	Very high	85.1	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-58	-43.3	173.9	0	0	0	0	0	112.1	S67 V68 V74 G75 A392 G395 V396	S67-G71 PolarHBondContact O-N 2.91Å; V68-G71 PolarHBondContact O-N 2.91Å; G71-V74 PolarHBondContact O-N 2.99Å; G71-G75 PolarHBondContact O-N 3.46Å; G71-A392 WeakPolarHBondContact CA-O 3.45Å; G71-G395 CarbonylContact O-C 3.5Å; G71-V396 VanDerWaalsContact O-CA 3.31Å; G71-V396 WeakPolarHBondContact O-CA 3.48Å; G71-V396 WeakPolarHBondContact O-CG2 3.28Å; G71-V396 PolarHBondContact O-N 2.89Å
72	L	92	Very high	85.1	Confident	54 Å²	54	49.2 Å²	49.2	28%	0.283	25%	0.249	S	C	.	.	H	α-helix	trans	-62.5	-45.4	178.2	-174.5	156.2	0	0	0	111.8	V68 V69 Y70 G75 L76 F399	V68-L72 WeakPolarHBondContact O-CB 3.39Å; V68-L72 PolarHBondContact O-N 2.88Å; V69-L72 WeakPolarHBondContact O-CB 3.4Å; V69-L72 PolarHBondContact O-N 3.41Å; Y70-L72 VanDerWaalsContact C-N 3.3Å; Y70-L72 PolarHBondContact O-N 2.82Å; L72-G75 PolarHBondContact O-N 3.35Å; L72-L76 WeakPolarHBondContact O-CB 3.31Å; L72-L76 PolarHBondContact O-N 3.28Å; L72-F399 HydrophobicContact CD1-CE2 4.31Å; L72-F399 HydrophobicContact CD2-CD2 4.48Å; L72-F399 HydrophobicContact CD2-CE2 3.54Å; L72-F399 HydrophobicContact CD2-CZ 4.3Å; L72-F399 HydrophobicContact CG-CD2 4.2Å; L72-F399 HydrophobicContact CG-CE2 3.49Å; L72-F399 VanDerWaalsContact CG-CE2 3.49Å; L72-F399 HydrophobicContact CG-CZ 4.31Å; L72-F399 WeakPolarHBondContact O-CD2 3.3Å
73	V	92.1	Very high	84.2	Confident	68 Å²	68	57.7 Å²	57.7	41%	0.412	29%	0.286	S	S	.	.	H	α-helix	trans	-61.4	-46.2	177.3	171.4	0	0	0	0	110.7	V69 Y70 L76 I77	V69-V73 WeakPolarHBondContact O-CG2 3.28Å; V69-V73 PolarHBondContact O-N 3.44Å; Y70-V73 PolarHBondContact O-N 3.17Å; V73-L76 WeakPolarHBondContact O-CB 3.37Å; V73-L76 PolarHBondContact O-N 3.22Å; V73-I77 HydrophobicContact CG1-CD1 3.93Å; V73-I77 VanDerWaalsContact O-CG1 3.31Å; V73-I77 WeakPolarHBondContact O-CG1 3.19Å; V73-I77 PolarHBondContact O-N 3.17Å
74	V	89.8	Confident	83	Confident	29 Å²	29	59 Å²	59	18%	0.176	30%	0.3	C	S	.	.	H	α-helix	trans	-69.5	-39	179	171.2	0	0	0	0	112	V38 L42 Y70 G71 L76 I77 L78 V396	V38-V74 HydrophobicContact CG1-CG1 3.63Å; L42-V74 HydrophobicContact CD1-CB 4Å; L42-V74 HydrophobicContact CD1-CG1 3.91Å; L42-V74 HydrophobicContact CD1-CG2 4.19Å; L42-V74 HydrophobicContact CD2-CB 4.05Å; L42-V74 HydrophobicContact CD2-CG2 3.44Å; L42-V74 VanDerWaalsContact CD2-CG2 3.44Å; L42-V74 HydrophobicContact CG-CB 4.37Å; L42-V74 HydrophobicContact CG-CG1 4.45Å; L42-V74 HydrophobicContact CG-CG2 3.99Å; Y70-V74 PolarHBondContact O-N 3.04Å; G71-V74 PolarHBondContact O-N 2.99Å; V74-L76 VanDerWaalsContact C-N 3.26Å; V74-L76 PolarHBondContact O-N 3.37Å; V74-I77 PolarHBondContact O-N 3.1Å; V74-I77 VanDerWaalsContact O-N 3.17Å; V74-L78 HydrophobicContact CG1-CD1 3.92Å; V74-L78 HydrophobicContact CG1-CG 4.13Å; V74-L78 WeakPolarHBondContact O-CB 3.4Å; V74-L78 WeakPolarHBondContact O-CG 3.14Å; V74-L78 PolarHBondContact O-N 3.44Å; V74-V396 HydrophobicContact CB-CG2 4.46Å; V74-V396 HydrophobicContact CG1-CG2 4.39Å
75	G	88.2	Confident	81.4	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-58.4	-39.7	173	0	0	0	0	0	112.1	G71 L72 R79	G71-G75 PolarHBondContact O-N 3.46Å; L72-G75 PolarHBondContact O-N 3.35Å; G75-R79 WeakPolarHBondContact O-CB 3.16Å; G75-R79 PolarHBondContact O-N 3.4Å
76	L	89.1	Confident	79.4	Confident	67 Å²	67	67.1 Å²	67.1	35%	0.351	36%	0.359	S	S	.	.	H	α-helix	trans	-65.5	-45.5	174.6	-168.9	69.5	0	0	0	111.5	L72 V73 V74 R79 Y80 F399	L72-L76 WeakPolarHBondContact O-CB 3.31Å; L72-L76 PolarHBondContact O-N 3.28Å; V73-L76 WeakPolarHBondContact O-CB 3.37Å; V73-L76 PolarHBondContact O-N 3.22Å; V74-L76 VanDerWaalsContact C-N 3.26Å; V74-L76 PolarHBondContact O-N 3.37Å; L76-R79 PolarHBondContact O-N 3.4Å; L76-Y80 HydrophobicContact CD1-CD2 4.17Å; L76-Y80 HydrophobicContact CD1-CE2 3.6Å; L76-Y80 HydrophobicContact CG-CD2 4.06Å; L76-Y80 HydrophobicContact CG-CE2 3.88Å; L76-Y80 WeakPolarHBondContact O-CD2 3.24Å; L76-Y80 PolarHBondContact O-N 3Å; L76-F399 HydrophobicContact CB-CD2 3.94Å; L76-F399 HydrophobicContact CB-CE2 4.13Å; L76-F399 HydrophobicContact CD1-CD2 4.22Å; L76-F399 HydrophobicContact CD1-CE2 4.12Å; L76-F399 HydrophobicContact CD1-CG 4.42Å; L76-F399 HydrophobicContact CD1-CZ 4.32Å
77	I	88.9	Confident	77.9	Confident	96 Å²	96	69.9 Å²	69.9	49%	0.492	37%	0.369	S	S	.	.	H	α-helix	trans	-60.2	-47.3	176.7	-68.2	165.3	0	0	0	110.4	V73 V74 R79 Y80 A81	V73-I77 HydrophobicContact CG1-CD1 3.93Å; V73-I77 VanDerWaalsContact O-CG1 3.31Å; V73-I77 WeakPolarHBondContact O-CG1 3.19Å; V73-I77 PolarHBondContact O-N 3.17Å; V74-I77 PolarHBondContact O-N 3.1Å; V74-I77 VanDerWaalsContact O-N 3.17Å; I77-R79 VanDerWaalsContact C-N 3.34Å; I77-R79 PolarHBondContact O-N 3.3Å; I77-Y80 PolarHBondContact O-N 3.31Å; I77-A81 HydrophobicContact CG2-CB 4.45Å; I77-A81 WeakPolarHBondContact O-CB 3.37Å; I77-A81 PolarHBondContact O-N 3.13Å
78	L	83.6	Confident	75.9	Confident	33 Å²	33	75.7 Å²	75.7	17%	0.173	41%	0.409	C	S	.	.	H	α-helix	trans	-60.5	-42.8	179.7	-73.3	172.6	0	0	0	111.7	V74 Y80 A81 I82 V396	V74-L78 HydrophobicContact CG1-CD1 3.92Å; V74-L78 HydrophobicContact CG1-CG 4.13Å; V74-L78 WeakPolarHBondContact O-CB 3.4Å; V74-L78 WeakPolarHBondContact O-CG 3.14Å; V74-L78 PolarHBondContact O-N 3.44Å; L78-Y80 VanDerWaalsContact C-N 3.27Å; L78-Y80 PolarHBondContact O-N 2.91Å; L78-A81 PolarHBondContact O-N 3.47Å; L78-I82 HydrophobicContact CD2-CD1 3.96Å; L78-I82 WeakPolarHBondContact O-CB 3.36Å; L78-I82 PolarHBondContact O-N 3.39Å; L78-V396 HydrophobicContact CD1-CG1 3.91Å
79	R	80.5	Confident	74.2	Confident	133 Å²	133	78.9 Å²	78.9	50%	0.502	43%	0.429	S	S	.	.	H	α-helix	trans	-59.4	-36	176.8	-176.2	178.6	-178.7	167	0.8	113	G75 L76 I77 F399	G75-R79 WeakPolarHBondContact O-CB 3.16Å; G75-R79 PolarHBondContact O-N 3.4Å; L76-R79 PolarHBondContact O-N 3.4Å; I77-R79 VanDerWaalsContact C-N 3.34Å; I77-R79 PolarHBondContact O-N 3.3Å; R79-F399 WeakPolarHBondContact CD-O 3.12Å
80	Y	83.4	Confident	72.3	Confident	179 Å²	179	82.7 Å²	82.7	70%	0.702	44%	0.442	S	S	*	.	H	α-helix	trans	-90	-32.5	179.7	-74.7	-65.3	0	0	0	113.8	L76 I77 L78	L76-Y80 HydrophobicContact CD1-CD2 4.17Å; L76-Y80 HydrophobicContact CD1-CE2 3.6Å; L76-Y80 HydrophobicContact CG-CD2 4.06Å; L76-Y80 HydrophobicContact CG-CE2 3.88Å; L76-Y80 WeakPolarHBondContact O-CD2 3.24Å; L76-Y80 PolarHBondContact O-N 3Å; I77-Y80 PolarHBondContact O-N 3.31Å; L78-Y80 VanDerWaalsContact C-N 3.27Å; L78-Y80 PolarHBondContact O-N 2.91Å
81	A	79.4	Confident	70.3	Confident	73 Å²	73	85.4 Å²	85.4	60%	0.603	46%	0.459	S	S	*	.	H	α-helix	trans	-77.1	-37.8	-176.3	0	0	0	0	0	112.2	I77 L78 K83	I77-A81 HydrophobicContact CG2-CB 4.45Å; I77-A81 WeakPolarHBondContact O-CB 3.37Å; I77-A81 PolarHBondContact O-N 3.13Å; L78-A81 PolarHBondContact O-N 3.47Å; A81-K83 PolarHBondContact O-N 2.93Å
82	I	70.2	Confident	68.8	Low	79 Å²	79	91 Å²	91	41%	0.405	49%	0.485	S	S	.	.	S	Bend	trans	-88.3	93	178.9	-55.4	174.1	0	0	0	107.9	L78 S84	L78-I82 HydrophobicContact CD2-CD1 3.96Å; L78-I82 WeakPolarHBondContact O-CB 3.36Å; L78-I82 PolarHBondContact O-N 3.39Å; I82-S84 PolarHBondContact O-N 3.01Å
83	K	55.4	Low	67.2	Low	194 Å²	194	94.2 Å²	94.2	84%	0.843	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-62	117.6	161.2	-84.4	-176.2	176.5	-179.5	0	107.3	A81 A85	A81-K83 PolarHBondContact O-N 2.93Å; K83-A85 PolarHBondContact O-N 3.13Å; K83-A85 VanDerWaalsContact O-N 3.13Å
84	S	52.9	Low	65.8	Low	69 Å²	69	98 Å²	98	48%	0.483	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-49	120.6	177.2	-48.9	0	0	0	0	109.7	I82 S86	I82-S84 PolarHBondContact O-N 3.01Å; S84-S86 PolarHBondContact O-N 3.15Å
85	A	47.3	Very low	64.2	Low	63 Å²	63	102.1 Å²	102.1	52%	0.521	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-66.3	131	175.9	0	0	0	0	0	108.8	K83 Y87 I144	K83-A85 PolarHBondContact O-N 3.13Å; K83-A85 VanDerWaalsContact O-N 3.13Å; A85-Y87 PolarHBondContact O-N 3.49Å; A85-I144 HydrophobicContact CB-CD1 3.49Å; A85-I144 VanDerWaalsContact CB-CD1 3.49Å; A85-I144 WeakPolarHBondContact O-CD1 3.23Å
86	S	38.7	Very low	62.4	Low	118 Å²	118	110.5 Å²	110.5	83%	0.825	58%	0.577	S	S	*	*			trans	-70.2	100	173.4	46.4	0	0	0	0	108.9	S84	S84-S86 PolarHBondContact O-N 3.15Å
87	Y	55.4	Low	60.8	Low	79 Å²	79	115.6 Å²	115.6	31%	0.31	60%	0.596	S	S	.	*			trans	-70	137.6	166.6	12.8	-110.3	0	0	0	109.6	A85 V89 L143 I144	A85-Y87 PolarHBondContact O-N 3.49Å; Y87-V89 HydrophobicContact CD2-CG2 3.81Å; Y87-V89 HydrophobicContact CG-CG2 4.4Å; Y87-V89 PolarHBondContact O-N 3.21Å; Y87-L143 HydrophobicContact CE1-CB 3.74Å; Y87-L143 PolarHBondContact OH-N 3.23Å; Y87-I144 HydrophobicContact CD1-CD1 3.44Å; Y87-I144 VanDerWaalsContact CD1-CD1 3.44Å; Y87-I144 HydrophobicContact CD1-CG1 3.94Å; Y87-I144 HydrophobicContact CE1-CB 4.04Å; Y87-I144 HydrophobicContact CE1-CD1 3.17Å; Y87-I144 HydrophobicContact CE1-CG1 3.43Å; Y87-I144 VanDerWaalsContact CE1-CG1 3.43Å; Y87-I144 PolarHBondContact OH-N 2.93Å
88	S	46.3	Very low	59.2	Low	123 Å²	123	118.1 Å²	118.1	86%	0.86	61%	0.61	S	S	*	*			trans	-76.3	99	162	55.8	0	0	0	0	107.8
89	V	52.1	Low	57.6	Low	67 Å²	67	124 Å²	124	41%	0.406	64%	0.642	S	S	.	*			trans	-87.2	119.9	174.7	-175.2	0	0	0	0	108.2	Y87 M91 F140	Y87-V89 HydrophobicContact CD2-CG2 3.81Å; Y87-V89 HydrophobicContact CG-CG2 4.4Å; Y87-V89 PolarHBondContact O-N 3.21Å; V89-M91 HydrophobicContact CG1-SD 4.47Å; V89-F140 HydrophobicContact CB-CD1 4.25Å; V89-F140 HydrophobicContact CB-CE1 3.44Å; V89-F140 VanDerWaalsContact CB-CE1 3.44Å; V89-F140 HydrophobicContact CB-CZ 3.81Å; V89-F140 HydrophobicContact CG1-CD1 4.41Å; V89-F140 HydrophobicContact CG1-CE1 3.46Å; V89-F140 VanDerWaalsContact CG1-CE1 3.46Å; V89-F140 HydrophobicContact CG1-CE2 4.15Å; V89-F140 HydrophobicContact CG1-CZ 3.24Å; V89-F140 HydrophobicContact CG2-CD1 4.38Å; V89-F140 HydrophobicContact CG2-CE1 4.03Å
90	E	51.1	Low	56.1	Low	144 Å²	144	122.7 Å²	122.7	67%	0.673	64%	0.642	S	S	*	*			trans	-97.5	116.3	173.5	-166.1	174.4	-174.1	0	0	109.6	H92	E90-H92 VanDerWaalsContact CD-CE1 3.48Å; E90-H92 PolarHBondContact O-N 2.86Å; E90-H92 IonicContact OE1-CE1 3.63Å; E90-H92 IonicContact OE2-CE1 3.15Å
91	M	48.9	Very low	54.5	Low	125 Å²	125	119 Å²	119	62%	0.616	65%	0.648	S	S	*	*			trans	-84.8	108.3	-178.4	-75.7	-61.5	-89.7	0	0	111.7	V89 F140	V89-M91 HydrophobicContact CG1-SD 4.47Å; M91-F140 HydrophobicContact CE-CE2 3.65Å; M91-F140 HydrophobicContact CE-CZ 4.14Å; M91-F140 HydrophobicContact CG-CE1 4.3Å; M91-F140 HydrophobicContact CG-CE2 3.83Å; M91-F140 HydrophobicContact CG-CZ 3.29Å; M91-F140 HydrophobicContact SD-CE2 3.26Å; M91-F140 WeakPolarHBondContact SD-CE2 3.22Å; M91-F140 HydrophobicContact SD-CZ 3.24Å; M91-F140 WeakPolarHBondContact SD-CZ 3.26Å
92	H	60.4	Low	52.8	Low	118 Å²	118	120.9 Å²	120.9	55%	0.546	66%	0.655	S	S	.	*			trans	-97.6	102.1	165.7	-71.1	78.1	0	0	0	108.8	E90 F94	E90-H92 VanDerWaalsContact CD-CE1 3.48Å; E90-H92 PolarHBondContact O-N 2.86Å; E90-H92 IonicContact OE1-CE1 3.63Å; E90-H92 IonicContact OE2-CE1 3.15Å; H92-F94 PolarHBondContact O-N 3.5Å
93	V	58.4	Low	51.7	Low	121 Å²	121	120.6 Å²	120.6	73%	0.733	67%	0.672	S	S	*	*			trans	-75.8	113.7	168.8	180	0	0	0	0	106.8	P95	V93-P95 WeakPolarHBondContact O-CD 3.08Å
94	F	61.9	Low	51.3	Low	148 Å²	148	114.4 Å²	114.4	65%	0.649	66%	0.663	S	S	*	*			trans	-70.7	107.3	168.5	-66.8	-81.6	0	0	0	108.1	H92 R96 L111	H92-F94 PolarHBondContact O-N 3.5Å; F94-R96 PolarHBondContact O-N 3.44Å; F94-L111 HydrophobicContact CE2-CD2 3.92Å; F94-L111 HydrophobicContact CZ-CD2 3.52Å
95	P	55.9	Low	51.3	Low	116 Å²	116	118.9 Å²	118.9	75%	0.753	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-65.3	132.7	177.4	28.3	-33	0	0	0	109	V93 K97	V93-P95 WeakPolarHBondContact O-CD 3.08Å; P95-K97 PolarHBondContact O-N 3.38Å
96	R	51.4	Low	51.7	Low	176 Å²	176	123 Å²	123	66%	0.664	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-56.7	120.5	173.1	-173.2	176.3	-175.6	153.4	0.2	108.4	F94 N98	F94-R96 PolarHBondContact O-N 3.44Å; R96-N98 PolarHBondContact O-N 3.01Å
97	K	54.5	Low	52.9	Low	173 Å²	173	120.8 Å²	120.8	75%	0.752	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-66	118.8	169.3	-141.4	176.3	-176.5	-177.9	0	106.6	P95 D99	P95-K97 PolarHBondContact O-N 3.38Å; K97-D99 PolarHBondContact O-N 2.97Å
98	N	55	Low	53.1	Low	149 Å²	149	120.3 Å²	120.3	80%	0.797	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-7.9	-168.7	-79.5	-14.4	0	0	0	114.9	R96	R96-N98 PolarHBondContact O-N 3.01Å
99	D	51.3	Low	53.7	Low	156 Å²	156	121.3 Å²	121.3	83%	0.834	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	10.1	-173.4	-68.4	-24	0	0	0	115.5	K97	K97-D99 PolarHBondContact O-N 2.97Å
100	E	47.9	Very low	54	Low	107 Å²	107	125.3 Å²	125.3	50%	0.5	68%	0.677	S	S	.	*			trans	-108.9	94.2	172.1	-70.7	178.4	-167.7	0	0	111	C102 H105	E100-C102 PolarHBondContact O-N 3.28Å; E100-H105 IonicContact OE2-CD2 3.34Å; E100-H105 IonicContact OE2-NE2 3.02Å
101	A	50.7	Low	54.9	Low	102 Å²	102	121.2 Å²	121.2	84%	0.843	66%	0.66	S	S	*	*			trans	-69	19	178.1	0	0	0	0	0	114.6
102	C	44.3	Very low	55.8	Low	111 Å²	111	119.9 Å²	119.9	75%	0.75	65%	0.654	S	S	*	*	S	Bend	trans	-135.9	105.3	173.3	-79.5	0	0	0	0	109.5	E100 G104	E100-C102 PolarHBondContact O-N 3.28Å; C102-G104 PolarHBondContact O-N 2.72Å
103	G	45.6	Very low	56.4	Low	74 Å²	74	117.1 Å²	117.1	76%	0.763	64%	0.642	S	S	*	*			trans	-70.7	83.1	-177.2	0	0	0	0	0	113.2
104	G	47.5	Very low	56.8	Low	63 Å²	63	117.2 Å²	117.2	65%	0.649	64%	0.635	S	S	*	*			trans	-140.3	19	-173.8	0	0	0	0	0	116.7	C102 L106	C102-G104 PolarHBondContact O-N 2.72Å; G104-L106 PolarHBondContact O-N 3.33Å
105	H	53.4	Low	57.3	Low	164 Å²	164	114.1 Å²	114.1	76%	0.759	62%	0.622	S	S	*	*			trans	-76.9	96.5	167.8	-88.2	-69.2	0	0	0	109.4	E100	E100-H105 IonicContact OE2-CD2 3.34Å; E100-H105 IonicContact OE2-NE2 3.02Å
106	L	55.7	Low	57.9	Low	148 Å²	148	112 Å²	112	78%	0.775	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-49.5	140.8	155.6	-115.4	75.4	0	0	0	107.7	G104	G104-L106 PolarHBondContact O-N 3.33Å
107	P	62.3	Low	58.7	Low	73 Å²	73	104.2 Å²	104.2	47%	0.474	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-54.4	136.7	171.7	24.5	-33	0	0	0	108.6	E109 F134	P107-E109 PolarHBondContact O-N 2.95Å; P107-F134 HydrophobicContact CB-CD2 4.25Å; P107-F134 HydrophobicContact CB-CE2 4.02Å; P107-F134 HydrophobicContact CG-CD2 4.35Å; P107-F134 HydrophobicContact CG-CE2 3.79Å; P107-F134 HydrophobicContact CG-CZ 4.03Å
108	P	61.5	Low	59.2	Low	68 Å²	68	103 Å²	103	44%	0.442	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-58.5	129.5	178.9	22.6	-32.7	0	0	0	110.2	R110 L111	P108-R110 PolarHBondContact O-N 3.39Å; P108-R110 VanDerWaalsContact O-N 3.16Å; P108-L111 HydrophobicContact CG-CD2 3.78Å; P108-L111 HydrophobicContact CG-CG 3.86Å
109	E	58.8	Low	59.4	Low	145 Å²	145	96.4 Å²	96.4	68%	0.678	54%	0.535	S	S	*	.	S	Bend	trans	-58.6	-28.2	177.2	-71.2	-174.2	165.5	0	0	112.6	P107 F134	P107-E109 PolarHBondContact O-N 2.95Å; E109-F134 VanDerWaalsContact O-CB 3.31Å; E109-F134 WeakPolarHBondContact O-CB 2.86Å; E109-F134 PolarHBondContact O-N 3.43Å
110	R	58.8	Low	59.9	Low	150 Å²	150	91.1 Å²	91.1	57%	0.566	51%	0.505	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.4	123.1	176.1	-72	-179.4	-78.7	-146	-3.1	109.1	P108 Y132	P108-R110 PolarHBondContact O-N 3.39Å; P108-R110 VanDerWaalsContact O-N 3.16Å; R110-Y132 CarbonylContact C-O 3.5Å; R110-Y132 WeakPolarHBondContact CA-O 3.29Å
111	L	68.8	Low	60.7	Low	59 Å²	59	92.7 Å²	92.7	31%	0.309	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	112.2	169.4	-83.6	157.8	0	0	0	107.6	F94 P108 F130 Y132	F94-L111 HydrophobicContact CE2-CD2 3.92Å; F94-L111 HydrophobicContact CZ-CD2 3.52Å; P108-L111 HydrophobicContact CG-CD2 3.78Å; P108-L111 HydrophobicContact CG-CG 3.86Å; L111-F130 VanDerWaalsContact O-O 3.07Å; L111-Y132 PolarHBondContact N-O 3.19Å; L111-Y132 PolarHBondContact O-N 3.26Å
112	I	68.2	Low	61.3	Low	97 Å²	97	90 Å²	90	50%	0.497	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	103.8	169.7	-58.1	176.8	0	0	0	106.2	F130 R131	I112-F130 CarbonylContact C-O 3.55Å; I112-F130 VanDerWaalsContact CA-O 3.3Å; I112-F130 WeakPolarHBondContact CA-O 3.34Å; I112-R131 HydrophobicContact CG1-CG 4.47Å
113	I	72.7	Confident	62.1	Low	59 Å²	59	91.3 Å²	91.3	30%	0.303	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	109.3	176.8	-53.6	-179.3	0	0	0	107.2	F115 F130 Y132	I113-F115 HydrophobicContact CB-CD2 4.35Å; I113-F115 HydrophobicContact CB-CE2 3.9Å; I113-F115 HydrophobicContact CG2-CD2 3.78Å; I113-F115 HydrophobicContact CG2-CE1 4.3Å; I113-F115 HydrophobicContact CG2-CE2 3.41Å; I113-F115 VanDerWaalsContact CG2-CE2 3.41Å; I113-F115 HydrophobicContact CG2-CG 4.43Å; I113-F115 HydrophobicContact CG2-CZ 3.7Å; I113-F115 PolarHBondContact O-N 2.86Å; I113-F130 PolarHBondContact N-O 3.35Å; I113-F130 PolarHBondContact O-N 3.12Å; I113-Y132 HydrophobicContact CB-CE2 4.34Å; I113-Y132 HydrophobicContact CD1-CD2 3.83Å; I113-Y132 HydrophobicContact CD1-CE2 3.71Å; I113-Y132 HydrophobicContact CG1-CD2 4.03Å; I113-Y132 HydrophobicContact CG1-CE2 4.11Å
114	E	67.1	Low	62.9	Low	124 Å²	124	93.5 Å²	93.5	58%	0.579	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	104.5	169.9	-73.3	-176.7	-168.9	0	0	109	P116 M128	E114-P116 WeakPolarHBondContact O-CD 3.14Å; E114-M128 CarbonylContact C-O 3.52Å; E114-M128 VanDerWaalsContact CA-O 3.31Å; E114-M128 WeakPolarHBondContact CA-O 3.32Å
115	F	71.4	Confident	63.6	Low	83 Å²	83	95.6 Å²	95.6	36%	0.364	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	120.7	168.6	-71.4	-88.7	0	0	0	108.3	I113 V117 M128 F130	I113-F115 HydrophobicContact CB-CD2 4.35Å; I113-F115 HydrophobicContact CB-CE2 3.9Å; I113-F115 HydrophobicContact CG2-CD2 3.78Å; I113-F115 HydrophobicContact CG2-CE1 4.3Å; I113-F115 HydrophobicContact CG2-CE2 3.41Å; I113-F115 VanDerWaalsContact CG2-CE2 3.41Å; I113-F115 HydrophobicContact CG2-CG 4.43Å; I113-F115 HydrophobicContact CG2-CZ 3.7Å; I113-F115 PolarHBondContact O-N 2.86Å; F115-V117 PolarHBondContact O-N 2.95Å; F115-V117 VanDerWaalsContact O-N 3.14Å; F115-M128 PolarHBondContact N-O 3.41Å; F115-M128 PolarHBondContact O-N 3.37Å; F115-F130 HydrophobicContact CB-CE2 4.21Å; F115-F130 AromaticContact CD2-CD2 3.3Å; F115-F130 HydrophobicContact CD2-CD2 3.3Å; F115-F130 AromaticContact CD2-CE2 3.55Å; F115-F130 HydrophobicContact CD2-CE2 3.55Å; F115-F130 HydrophobicContact CD2-CG 4.13Å; F115-F130 HydrophobicContact CE2-CB 4.47Å; F115-F130 AromaticContact CE2-CD2 3.84Å; F115-F130 HydrophobicContact CE2-CD2 3.84Å; F115-F130 HydrophobicContact CE2-CE2 4.28Å; F115-F130 HydrophobicContact CE2-CG 4.23Å; F115-F130 HydrophobicContact CG-CD2 4.34Å; F115-F130 HydrophobicContact CG-CE2 4.24Å
116	P	68.8	Low	63.9	Low	71 Å²	71	91.3 Å²	91.3	46%	0.461	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	109.6	173.7	34.7	-36.1	0	0	0	107.7	E114 F124	E114-P116 WeakPolarHBondContact O-CD 3.14Å; P116-F124 HydrophobicContact CB-CB 4.2Å; P116-F124 HydrophobicContact CB-CD1 3.48Å; P116-F124 VanDerWaalsContact CB-CD1 3.48Å; P116-F124 HydrophobicContact CB-CE1 4.04Å; P116-F124 HydrophobicContact CB-CG 4.09Å; P116-F124 HydrophobicContact CG-CD1 3.88Å; P116-F124 HydrophobicContact CG-CE1 3.89Å
117	V	68.5	Low	64.5	Low	13 Å²	13	87.7 Å²	87.7	8%	0.079	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	132.8	172.5	-176.4	0	0	0	0	107.3	E13 I17 F115 D119 L126 M128	E13-V117 HydrophobicContact CB-CG1 4.45Å; I17-V117 HydrophobicContact CD1-CB 4.37Å; I17-V117 HydrophobicContact CD1-CG1 3.73Å; I17-V117 HydrophobicContact CD1-CG2 3.64Å; F115-V117 PolarHBondContact O-N 2.95Å; F115-V117 VanDerWaalsContact O-N 3.14Å; V117-D119 PolarHBondContact O-N 3.33Å; V117-L126 WeakPolarHBondContact CA-O 3.45Å; V117-L126 HydrophobicContact CB-CB 4.34Å; V117-L126 WeakPolarHBondContact CB-O 3.23Å; V117-L126 PolarHBondContact N-O 3.48Å; V117-M128 HydrophobicContact CG2-CB 4.18Å; V117-M128 HydrophobicContact CG2-CE 4.38Å; V117-M128 HydrophobicContact CG2-CG 3.85Å; V117-M128 HydrophobicContact CG2-SD 4.23Å
118	R	64.9	Low	64.7	Low	148 Å²	148	86.4 Å²	86.4	56%	0.558	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-75.8	128.8	179.5	-73.9	-175.8	177.3	-166.9	0.7	108.3	F124	R118-F124 HydrophobicContact CG-CD1 3.94Å; R118-F124 HydrophobicContact CG-CE1 3.67Å; R118-F124 HydrophobicContact CG-CZ 4.37Å
119	D	58.9	Low	65	Low	10 Å²	10	87 Å²	87	5%	0.053	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-62.4	144.6	158.5	-156.4	-5.8	0	0	0	108	L10 V117 Y121 G122 K123 N125	L10-D119 WeakPolarHBondContact CB-OD1 3.46Å; L10-D119 HydrophobicContact CD1-CB 4.49Å; L10-D119 WeakPolarHBondContact CD1-OD1 3.13Å; L10-D119 VanDerWaalsContact CD2-CA 3.46Å; L10-D119 HydrophobicContact CD2-CB 3.85Å; L10-D119 WeakPolarHBondContact CD2-OD1 3.01Å; L10-D119 WeakPolarHBondContact CG-OD1 3.23Å; V117-D119 PolarHBondContact O-N 3.33Å; D119-Y121 PolarHBondContact O-N 3.42Å; D119-G122 VanDerWaalsContact O-CA 3.28Å; D119-G122 WeakPolarHBondContact O-CA 3.41Å; D119-G122 PolarHBondContact O-N 2.66Å; D119-K123 WeakPolarHBondContact CA-O 3.18Å; D119-K123 HydrophobicContact CB-CB 4.5Å; D119-K123 WeakPolarHBondContact CB-O 3.47Å; D119-K123 PolarHBondContact N-O 3.38Å; D119-N125 HydrophobicContact CB-CB 4.26Å; D119-N125 PolarHBondContact OD2-ND2 3.49Å
120	Q	62.3	Low	65.4	Low	44 Å²	44	82.7 Å²	82.7	21%	0.206	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-43.5	-20.9	167.3	45.9	93.3	12	0	0	116.9	P6 C9 L10 G122	P6-Q120 VanDerWaalsContact CA-NE2 3.28Å; P6-Q120 WeakPolarHBondContact O-CG 3.18Å; P6-Q120 PolarHBondContact O-NE2 2.86Å; P6-Q120 PolarHBondContact O-OE1 3.13Å; C9-Q120 HydrophobicContact CB-CB 3.24Å; C9-Q120 HydrophobicContact CB-CG 3.91Å; C9-Q120 WeakPolarHBondContact SG-CB 3.37Å; L10-Q120 HydrophobicContact CB-CG 3.72Å; Q120-G122 PolarHBondContact O-N 2.84Å
121	Y	64.1	Low	65.7	Low	140 Å²	140	84.3 Å²	84.3	55%	0.549	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	6.4	167.7	-65.8	-67.1	0	0	0	114.4	P6 D119 K123	P6-Y121 HydrophobicContact CB-CD1 4.3Å; P6-Y121 HydrophobicContact CB-CD2 4.31Å; P6-Y121 HydrophobicContact CB-CE1 3.47Å; P6-Y121 VanDerWaalsContact CB-CE1 3.47Å; P6-Y121 HydrophobicContact CB-CE2 3.49Å; P6-Y121 VanDerWaalsContact CB-CE2 3.49Å; P6-Y121 WeakPolarHBondContact CB-OH 3.37Å; P6-Y121 HydrophobicContact CG-CE1 3.82Å; P6-Y121 HydrophobicContact CG-CE2 4.26Å; P6-Y121 WeakPolarHBondContact CG-OH 3.38Å; D119-Y121 PolarHBondContact O-N 3.42Å; Y121-K123 PolarHBondContact O-N 3.34Å
122	G	64.4	Low	65.7	Low	46 Å²	46	87 Å²	87	47%	0.474	42%	0.423	S	S	.	.	S	Bend	trans	69	10.8	-169.2	0	0	0	0	0	114.5	D119 Q120	D119-G122 VanDerWaalsContact O-CA 3.28Å; D119-G122 WeakPolarHBondContact O-CA 3.41Å; D119-G122 PolarHBondContact O-N 2.66Å; Q120-G122 PolarHBondContact O-N 2.84Å
123	K	59.5	Low	65.5	Low	139 Å²	139	90.3 Å²	90.3	60%	0.604	43%	0.434	S	S	*	.			trans	-95.6	135.7	-179.2	-73.6	-174.3	177.1	179.7	0	111	D119 Y121 N125	D119-K123 WeakPolarHBondContact CA-O 3.18Å; D119-K123 HydrophobicContact CB-CB 4.5Å; D119-K123 WeakPolarHBondContact CB-O 3.47Å; D119-K123 PolarHBondContact N-O 3.38Å; Y121-K123 PolarHBondContact O-N 3.34Å; K123-N125 PolarHBondContact O-N 2.84Å
124	F	62.7	Low	64.9	Low	120 Å²	120	92.2 Å²	92.2	53%	0.526	44%	0.441	S	S	.	.			trans	-78.9	83.6	178.2	-61.9	-74.1	0	0	0	110.9	P116 R118	P116-F124 HydrophobicContact CB-CB 4.2Å; P116-F124 HydrophobicContact CB-CD1 3.48Å; P116-F124 VanDerWaalsContact CB-CD1 3.48Å; P116-F124 HydrophobicContact CB-CE1 4.04Å; P116-F124 HydrophobicContact CB-CG 4.09Å; P116-F124 HydrophobicContact CG-CD1 3.88Å; P116-F124 HydrophobicContact CG-CE1 3.89Å; R118-F124 HydrophobicContact CG-CD1 3.94Å; R118-F124 HydrophobicContact CG-CE1 3.67Å; R118-F124 HydrophobicContact CG-CZ 4.37Å
125	N	62.1	Low	64.3	Low	107 Å²	107	92.9 Å²	92.9	57%	0.572	44%	0.444	S	S	*	.			trans	-101.7	-18	-179.2	-68.1	-17.6	0	0	0	113.4	D119 K123	D119-N125 HydrophobicContact CB-CB 4.26Å; D119-N125 PolarHBondContact OD2-ND2 3.49Å; K123-N125 PolarHBondContact O-N 2.84Å
126	L	61.1	Low	63.6	Low	73 Å²	73	92.3 Å²	92.3	38%	0.382	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	121.6	-176.6	-154.7	90.2	0	0	0	109.6	V117 M128	V117-L126 WeakPolarHBondContact CA-O 3.45Å; V117-L126 HydrophobicContact CB-CB 4.34Å; V117-L126 WeakPolarHBondContact CB-O 3.23Å; V117-L126 PolarHBondContact N-O 3.48Å; L126-M128 HydrophobicContact CD2-CE 4.38Å
127	S	67.1	Low	63	Low	72 Å²	72	96.9 Å²	96.9	50%	0.503	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	127.7	171.4	55.2	0	0	0	0	110.1
128	M	66.5	Low	62.1	Low	46 Å²	46	98.6 Å²	98.6	23%	0.227	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	122.7	170.2	-79.3	-166.8	-168.6	0	0	109.7	I17 E114 F115 V117 L126 F130	I17-M128 HydrophobicContact CB-CE 3.78Å; I17-M128 HydrophobicContact CB-SD 4.03Å; I17-M128 HydrophobicContact CD1-CE 3.72Å; I17-M128 HydrophobicContact CD1-SD 3.93Å; I17-M128 HydrophobicContact CG1-CE 4.38Å; I17-M128 HydrophobicContact CG2-CE 3.75Å; I17-M128 HydrophobicContact CG2-SD 3.32Å; I17-M128 WeakPolarHBondContact CG2-SD 3.45Å; E114-M128 CarbonylContact C-O 3.52Å; E114-M128 VanDerWaalsContact CA-O 3.31Å; E114-M128 WeakPolarHBondContact CA-O 3.32Å; F115-M128 PolarHBondContact N-O 3.41Å; F115-M128 PolarHBondContact O-N 3.37Å; V117-M128 HydrophobicContact CG2-CB 4.18Å; V117-M128 HydrophobicContact CG2-CE 4.38Å; V117-M128 HydrophobicContact CG2-CG 3.85Å; V117-M128 HydrophobicContact CG2-SD 4.23Å; L126-M128 HydrophobicContact CD2-CE 4.38Å; M128-F130 HydrophobicContact CB-CD2 4.4Å; M128-F130 HydrophobicContact CB-CE2 3.8Å
129	S	68.6	Low	61.2	Low	81 Å²	81	98 Å²	98	57%	0.566	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	116.8	177.6	48.1	0	0	0	0	110.9
130	F	67.5	Low	60.6	Low	55 Å²	55	102.2 Å²	102.2	24%	0.241	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	120	174.4	-69	-100.5	0	0	0	109.2	L111 I112 I113 F115 M128 Y132	L111-F130 VanDerWaalsContact O-O 3.07Å; I112-F130 CarbonylContact C-O 3.55Å; I112-F130 VanDerWaalsContact CA-O 3.3Å; I112-F130 WeakPolarHBondContact CA-O 3.34Å; I113-F130 PolarHBondContact N-O 3.35Å; I113-F130 PolarHBondContact O-N 3.12Å; F115-F130 HydrophobicContact CB-CE2 4.21Å; F115-F130 AromaticContact CD2-CD2 3.3Å; F115-F130 HydrophobicContact CD2-CD2 3.3Å; F115-F130 AromaticContact CD2-CE2 3.55Å; F115-F130 HydrophobicContact CD2-CE2 3.55Å; F115-F130 HydrophobicContact CD2-CG 4.13Å; F115-F130 HydrophobicContact CE2-CB 4.47Å; F115-F130 AromaticContact CE2-CD2 3.84Å; F115-F130 HydrophobicContact CE2-CD2 3.84Å; F115-F130 HydrophobicContact CE2-CE2 4.28Å; F115-F130 HydrophobicContact CE2-CG 4.23Å; F115-F130 HydrophobicContact CG-CD2 4.34Å; F115-F130 HydrophobicContact CG-CE2 4.24Å; M128-F130 HydrophobicContact CB-CD2 4.4Å; M128-F130 HydrophobicContact CB-CE2 3.8Å; F130-Y132 HydrophobicContact CB-CD2 4.25Å; F130-Y132 HydrophobicContact CB-CE2 3.56Å
131	R	65.4	Low	59.7	Low	183 Å²	183	107.1 Å²	107.1	69%	0.691	52%	0.524	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	102.3	-179.7	-174.9	-175.4	-67.8	173.2	0.1	109.8	I112	I112-R131 HydrophobicContact CG1-CG 4.47Å
132	Y	67.4	Low	58.9	Low	116 Å²	116	101 Å²	101	46%	0.455	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	127.5	169	-63	-85.3	0	0	0	108.9	R110 L111 I113 F130	R110-Y132 CarbonylContact C-O 3.5Å; R110-Y132 WeakPolarHBondContact CA-O 3.29Å; L111-Y132 PolarHBondContact N-O 3.19Å; L111-Y132 PolarHBondContact O-N 3.26Å; I113-Y132 HydrophobicContact CB-CE2 4.34Å; I113-Y132 HydrophobicContact CD1-CD2 3.83Å; I113-Y132 HydrophobicContact CD1-CE2 3.71Å; I113-Y132 HydrophobicContact CG1-CD2 4.03Å; I113-Y132 HydrophobicContact CG1-CE2 4.11Å; F130-Y132 HydrophobicContact CB-CD2 4.25Å; F130-Y132 HydrophobicContact CB-CE2 3.56Å
133	K	63.9	Low	58.2	Low	167 Å²	167	102.1 Å²	102.1	73%	0.726	50%	0.496	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	136.1	170.1	-170.6	-179.7	176.9	-172.8	0	107.9	E135	K133-E135 PolarHBondContact O-N 3.38Å
134	F	59.8	Low	57.8	Low	99 Å²	99	98.1 Å²	98.1	43%	0.434	48%	0.48	S	S	.	.			trans	-63.7	107.7	168.4	-179.7	-98	0	0	0	108.2	P107 E109	P107-F134 HydrophobicContact CB-CD2 4.25Å; P107-F134 HydrophobicContact CB-CE2 4.02Å; P107-F134 HydrophobicContact CG-CD2 4.35Å; P107-F134 HydrophobicContact CG-CE2 3.79Å; P107-F134 HydrophobicContact CG-CZ 4.03Å; E109-F134 VanDerWaalsContact O-CB 3.31Å; E109-F134 WeakPolarHBondContact O-CB 2.86Å; E109-F134 PolarHBondContact O-N 3.43Å
135	E	56.2	Low	57.1	Low	138 Å²	138	94.1 Å²	94.1	65%	0.645	46%	0.464	S	S	*	.			trans	-86.3	-53.5	178.1	-71.8	-171	166.1	0	0	111.1	K133 L143	K133-E135 PolarHBondContact O-N 3.38Å; E135-L143 WeakPolarHBondContact OE2-CD2 3.45Å
136	Q	56.3	Low	56.8	Low	70 Å²	70	90.8 Å²	90.8	33%	0.327	45%	0.447	S	S	.	.			trans	-171.1	154.6	178	-159.8	168	-3.2	0	0	112	S138 T524	Q136-S138 PolarHBondContact O-N 3.07Å; Q136-T524 PolarHBondContact NE2-O 3.22Å; Q136-T524 PolarHBondContact NE2-OG1 3.29Å
137	Q	55.3	Low	56.5	Low	168 Å²	168	91.7 Å²	91.7	79%	0.785	45%	0.448	S	S	*	.			trans	-66.9	110.8	163.5	-174.7	177.4	6.9	0	0	108.7
138	S	49.8	Very low	55.9	Low	49 Å²	49	88.8 Å²	88.8	34%	0.343	43%	0.428	S	S	.	.			trans	-128.1	144.8	-175.5	52.3	0	0	0	0	111.7	Q136	Q136-S138 PolarHBondContact O-N 3.07Å
139	D	46.6	Very low	56	Low	136 Å²	136	87.8 Å²	87.8	73%	0.727	42%	0.424	S	S	*	.			trans	-74.3	138.9	156.8	-78.2	-39.6	0	0	0	108.8	N141	D139-N141 PolarHBondContact O-N 3.31Å
140	F	46.1	Very low	56.1	Low	97 Å²	97	84.3 Å²	84.3	43%	0.425	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.6	-10.5	-163.4	-113.2	-113.2	0	0	0	120.6	V89 M91	V89-F140 HydrophobicContact CB-CD1 4.25Å; V89-F140 HydrophobicContact CB-CE1 3.44Å; V89-F140 VanDerWaalsContact CB-CE1 3.44Å; V89-F140 HydrophobicContact CB-CZ 3.81Å; V89-F140 HydrophobicContact CG1-CD1 4.41Å; V89-F140 HydrophobicContact CG1-CE1 3.46Å; V89-F140 VanDerWaalsContact CG1-CE1 3.46Å; V89-F140 HydrophobicContact CG1-CE2 4.15Å; V89-F140 HydrophobicContact CG1-CZ 3.24Å; V89-F140 HydrophobicContact CG2-CD1 4.38Å; V89-F140 HydrophobicContact CG2-CE1 4.03Å; M91-F140 HydrophobicContact CE-CE2 3.65Å; M91-F140 HydrophobicContact CE-CZ 4.14Å; M91-F140 HydrophobicContact CG-CE1 4.3Å; M91-F140 HydrophobicContact CG-CE2 3.83Å; M91-F140 HydrophobicContact CG-CZ 3.29Å; M91-F140 HydrophobicContact SD-CE2 3.26Å; M91-F140 WeakPolarHBondContact SD-CE2 3.22Å; M91-F140 HydrophobicContact SD-CZ 3.24Å; M91-F140 WeakPolarHBondContact SD-CZ 3.26Å
141	N	43.8	Very low	56.8	Low	148 Å²	148	86.5 Å²	86.5	79%	0.791	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	4.8	-163.6	-73	-18.7	0	0	0	116.2	D139	D139-N141 PolarHBondContact O-N 3.31Å
142	S	47.5	Very low	57.7	Low	11 Å²	11	79.1 Å²	79.1	8%	0.077	39%	0.389	C	S	.	.			trans	-125.1	3.1	-159.5	57.8	0	0	0	0	119.8	I144 N146	S142-I144 PolarHBondContact O-N 2.82Å; S142-N146 PolarHBondContact O-OD1 2.91Å
143	L	50	Low	58.7	Low	69 Å²	69	80.5 Å²	80.5	36%	0.361	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-29.2	-169.5	-92.5	154.6	0	0	0	117.4	Y87 E135 N146	Y87-L143 HydrophobicContact CE1-CB 3.74Å; Y87-L143 PolarHBondContact OH-N 3.23Å; E135-L143 WeakPolarHBondContact OE2-CD2 3.45Å; L143-N146 WeakPolarHBondContact O-CB 3.37Å; L143-N146 PolarHBondContact O-N 3.3Å
144	I	49.2	Very low	59.9	Low	55 Å²	55	76.7 Å²	76.7	28%	0.282	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-31.8	-177.3	-83.1	148.1	0	0	0	113.9	A85 Y87 S142 N146 K147	A85-I144 HydrophobicContact CB-CD1 3.49Å; A85-I144 VanDerWaalsContact CB-CD1 3.49Å; A85-I144 WeakPolarHBondContact O-CD1 3.23Å; Y87-I144 HydrophobicContact CD1-CD1 3.44Å; Y87-I144 VanDerWaalsContact CD1-CD1 3.44Å; Y87-I144 HydrophobicContact CD1-CG1 3.94Å; Y87-I144 HydrophobicContact CE1-CB 4.04Å; Y87-I144 HydrophobicContact CE1-CD1 3.17Å; Y87-I144 HydrophobicContact CE1-CG1 3.43Å; Y87-I144 VanDerWaalsContact CE1-CG1 3.43Å; Y87-I144 PolarHBondContact OH-N 2.93Å; S142-I144 PolarHBondContact O-N 2.82Å; I144-N146 PolarHBondContact O-N 3.29Å; I144-N146 VanDerWaalsContact O-N 3.15Å; I144-K147 PolarHBondContact O-N 3.47Å
145	N	48.6	Very low	61.3	Low	36 Å²	36	72.1 Å²	72.1	19%	0.193	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-63.9	-20.7	175.4	-76.8	6.7	0	0	0	111.4	K147 A148 T149 T400 P402	N145-K147 VanDerWaalsContact C-N 3.33Å; N145-K147 PolarHBondContact O-N 2.95Å; N145-A148 PolarHBondContact O-N 2.92Å; N145-T149 WeakPolarHBondContact O-CG2 3.41Å; N145-T400 WeakPolarHBondContact O-CG2 3.5Å; N145-P402 HydrophobicContact CB-CB 4.26Å; N145-P402 HydrophobicContact CB-CG 3.94Å
146	N	55.7	Low	62.8	Low	37 Å²	37	66.6 Å²	66.6	20%	0.198	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-66.4	-30.3	-176.9	-62.4	-10.5	0	0	0	113.1	S142 L143 I144 A148 T149	S142-N146 PolarHBondContact O-OD1 2.91Å; L143-N146 WeakPolarHBondContact O-CB 3.37Å; L143-N146 PolarHBondContact O-N 3.3Å; I144-N146 PolarHBondContact O-N 3.29Å; I144-N146 VanDerWaalsContact O-N 3.15Å; N146-A148 PolarHBondContact O-N 3.07Å; N146-T149 WeakPolarHBondContact O-CB 3.1Å; N146-T149 PolarHBondContact O-N 2.93Å; N146-T149 PolarHBondContact O-OG1 3.15Å
147	K	54.5	Low	64.4	Low	92 Å²	92	66.8 Å²	66.8	40%	0.4	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-70	-20	-177	-165.6	158.1	176.1	170.6	0	113.7	D28 D32 I35 I144 N145	D28-K147 IonicContact OD1-NZ 3.74Å; D32-K147 WeakPolarHBondContact OD1-CE 3.49Å; D32-K147 IonicContact OD1-NZ 3.84Å; D32-K147 PolarHBondContact OD1-NZ 3.22Å; D32-K147 VanDerWaalsContact OD2-CE 3.28Å; D32-K147 WeakPolarHBondContact OD2-CE 3.45Å; D32-K147 IonicContact OD2-NZ 3.25Å; D32-K147 PolarHBondContact OD2-NZ 3.49Å; I35-K147 HydrophobicContact CD1-CG 4.44Å; I144-K147 PolarHBondContact O-N 3.47Å; N145-K147 VanDerWaalsContact C-N 3.33Å; N145-K147 PolarHBondContact O-N 2.95Å
148	A	55.6	Low	66.1	Low	12 Å²	12	62 Å²	62	10%	0.099	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-102.8	10	171.8	0	0	0	0	0	112.9	I35 N145 N146 T400	I35-A148 HydrophobicContact CD1-CB 4.29Å; N145-A148 PolarHBondContact O-N 2.92Å; N146-A148 PolarHBondContact O-N 3.07Å; A148-T400 HydrophobicContact CB-CG2 3.66Å
149	T	68	Low	68.1	Low	24 Å²	24	60.4 Å²	60.4	15%	0.147	31%	0.31	C	S	.	.	S	Bend	trans	-79.2	157.6	173.8	60.9	0	0	0	0	111.7	N145 N146 D151 Y393 T400 F401	N145-T149 WeakPolarHBondContact O-CG2 3.41Å; N146-T149 WeakPolarHBondContact O-CB 3.1Å; N146-T149 PolarHBondContact O-N 2.93Å; N146-T149 PolarHBondContact O-OG1 3.15Å; T149-D151 PolarHBondContact O-N 2.89Å; T149-Y393 PolarHBondContact O-OH 3.23Å; T149-T400 HydrophobicContact CG2-CG2 4.45Å; T149-F401 HydrophobicContact CG2-CD2 4.22Å
150	F	71.8	Confident	70.1	Confident	8 Å²	8	54.2 Å²	54.2	4%	0.035	28%	0.277	C	S	.	.			trans	-65.6	119.6	-179.5	176.1	-89.2	0	0	0	111.9	P152 F155 Y393 F517 S518 I521	F150-P152 HydrophobicContact CD1-CB 4.31Å; F150-P152 VanDerWaalsContact CE1-CA 3.5Å; F150-P152 HydrophobicContact CE1-CB 4.07Å; F150-P152 WeakPolarHBondContact O-CD 3.27Å; F150-F155 HydrophobicContact CE1-CB 3.93Å; F150-F155 HydrophobicContact CE1-CG 4.33Å; F150-F155 HydrophobicContact CE2-CB 3.78Å; F150-F155 HydrophobicContact CE2-CD2 4.09Å; F150-F155 HydrophobicContact CE2-CG 4.08Å; F150-F155 HydrophobicContact CZ-CB 3.22Å; F150-F155 HydrophobicContact CZ-CD1 4.02Å; F150-F155 AromaticContact CZ-CD2 3.8Å; F150-F155 HydrophobicContact CZ-CD2 3.8Å; F150-F155 AromaticContact CZ-CG 3.41Å; F150-F155 HydrophobicContact CZ-CG 3.41Å; F150-F155 VanDerWaalsContact CZ-CG 3.41Å; F150-Y393 WeakPolarHBondContact CA-OH 3.3Å; F150-Y393 HydrophobicContact CB-CD1 3.85Å; F150-Y393 HydrophobicContact CB-CE1 3.3Å; F150-Y393 AromaticContact CD2-CD1 3.33Å; F150-Y393 HydrophobicContact CD2-CD1 3.33Å; F150-Y393 AromaticContact CD2-CE1 3.48Å; F150-Y393 HydrophobicContact CD2-CE1 3.48Å; F150-Y393 VanDerWaalsContact CD2-CE1 3.48Å; F150-Y393 AromaticContact CD2-CG 3.97Å; F150-Y393 HydrophobicContact CD2-CG 3.97Å; F150-Y393 HydrophobicContact CE2-CD1 4.31Å; F150-Y393 HydrophobicContact CG-CD1 4.05Å; F150-Y393 AromaticContact CG-CE1 3.81Å; F150-Y393 HydrophobicContact CG-CE1 3.81Å; F150-F517 HydrophobicContact CB-CE1 3.92Å; F150-F517 HydrophobicContact CB-CZ 4.19Å; F150-F517 AromaticContact CD1-CE1 3.89Å; F150-F517 HydrophobicContact CD1-CE1 3.89Å; F150-F517 AromaticContact CD2-CE1 3.85Å; F150-F517 HydrophobicContact CD2-CE1 3.85Å; F150-F517 HydrophobicContact CE1-CD1 4.41Å; F150-F517 HydrophobicContact CE1-CE1 4.16Å; F150-F517 HydrophobicContact CE2-CE1 4.17Å; F150-F517 AromaticContact CG-CE1 3.66Å; F150-F517 HydrophobicContact CG-CE1 3.66Å; F150-F517 HydrophobicContact CG-CZ 4.42Å; F150-F517 HydrophobicContact CZ-CD1 4.36Å; F150-F517 HydrophobicContact CZ-CE1 4.27Å; F150-S518 VanDerWaalsContact CE1-CB 3.47Å; F150-I521 HydrophobicContact CB-CD1 3.75Å; F150-I521 HydrophobicContact CD1-CD1 4.39Å; F150-I521 HydrophobicContact CD1-CG2 3.43Å; F150-I521 VanDerWaalsContact CD1-CG2 3.43Å; F150-I521 HydrophobicContact CE1-CG2 3.84Å; F150-I521 HydrophobicContact CG-CG2 4.44Å
151	D	81.5	Confident	72.3	Confident	102 Å²	102	49.7 Å²	49.7	55%	0.545	26%	0.258	S	S	.	.			trans	-77.8	106.5	168.8	-71.6	-31	0	0	0	109.7	T149 E153 F154 F155	T149-D151 PolarHBondContact O-N 2.89Å; D151-E153 VanDerWaalsContact C-N 3.27Å; D151-E153 PolarHBondContact O-N 3.41Å; D151-F154 HydrophobicContact CB-CB 3.97Å; D151-F154 PolarHBondContact O-N 3.01Å; D151-F155 PolarHBondContact O-N 3.31Å
152	P	84.5	Confident	74.5	Confident	28 Å²	28	42.8 Å²	42.8	18%	0.182	22%	0.221	C	C	.	.	H	α-helix	trans	-64.7	-33.7	-178.1	28	-35	0	0	0	112.1	F150 F155 F156 I521 R522	F150-P152 HydrophobicContact CD1-CB 4.31Å; F150-P152 VanDerWaalsContact CE1-CA 3.5Å; F150-P152 HydrophobicContact CE1-CB 4.07Å; F150-P152 WeakPolarHBondContact O-CD 3.27Å; P152-F155 WeakPolarHBondContact O-CB 3.47Å; P152-F155 PolarHBondContact O-N 3.32Å; P152-F156 HydrophobicContact CB-CD2 4.32Å; P152-F156 HydrophobicContact CB-CE2 4.12Å; P152-F156 WeakPolarHBondContact O-CD2 3.3Å; P152-F156 PolarHBondContact O-N 2.95Å; P152-I521 HydrophobicContact CB-CG2 4.33Å; P152-R522 HydrophobicContact CB-CB 4.18Å; P152-R522 HydrophobicContact CB-CG 4.41Å; P152-R522 HydrophobicContact CG-CB 4.33Å; P152-R522 HydrophobicContact CG-CG 4.33Å
153	E	87.1	Confident	76.5	Confident	145 Å²	145	43.4 Å²	43.4	68%	0.678	22%	0.223	S	C	*	.	H	α-helix	trans	-66.5	-39.7	179.7	-65.2	-175.9	179.8	0	0	112.3	D151 F155 F156 N157	D151-E153 VanDerWaalsContact C-N 3.27Å; D151-E153 PolarHBondContact O-N 3.41Å; E153-F155 VanDerWaalsContact C-N 3.28Å; E153-F155 PolarHBondContact O-N 3.16Å; E153-F156 PolarHBondContact O-N 3.08Å; E153-N157 VanDerWaalsContact O-CB 3.27Å; E153-N157 WeakPolarHBondContact O-CB 3.43Å; E153-N157 PolarHBondContact O-N 2.76Å
154	F	89	Confident	78.4	Confident	87 Å²	87	40.5 Å²	40.5	38%	0.382	21%	0.208	S	C	.	.	H	α-helix	trans	-59.7	-43.5	174.4	177	-105.9	0	0	0	110.8	D151 V158 L159 F389	D151-F154 HydrophobicContact CB-CB 3.97Å; D151-F154 PolarHBondContact O-N 3.01Å; F154-V158 HydrophobicContact CD2-CB 4.03Å; F154-V158 HydrophobicContact CD2-CG2 3.79Å; F154-V158 HydrophobicContact CE2-CB 3.88Å; F154-V158 HydrophobicContact CE2-CG1 3.89Å; F154-V158 HydrophobicContact CE2-CG2 3.92Å; F154-V158 HydrophobicContact CZ-CB 4.41Å; F154-V158 HydrophobicContact CZ-CG1 4.24Å; F154-V158 VanDerWaalsContact O-CB 3.27Å; F154-V158 WeakPolarHBondContact O-CB 3.37Å; F154-V158 PolarHBondContact O-N 2.65Å; F154-L159 HydrophobicContact CD1-CD1 3.92Å; F154-L159 HydrophobicContact CD1-CG 4.21Å; F154-L159 HydrophobicContact CE1-CD1 3.67Å; F154-L159 HydrophobicContact CE1-CD2 4.01Å; F154-L159 HydrophobicContact CE1-CG 3.78Å; F154-L159 HydrophobicContact CZ-CD2 4.25Å; F154-L159 HydrophobicContact CZ-CG 4.32Å; F154-L159 PolarHBondContact O-N 2.85Å; F154-F389 AromaticContact CE1-CE1 3.84Å; F154-F389 HydrophobicContact CE1-CE1 3.84Å; F154-F389 HydrophobicContact CE1-CZ 4.15Å
155	F	89.2	Confident	80.4	Confident	2 Å²	2	38 Å²	38	1%	0.009	20%	0.195	C	C	.	.	I	π-helix	trans	-62.3	-50.5	175.6	171.8	-94.4	0	0	0	112.8	F150 D151 P152 E153 L159 L160 V390 A514 M515 S518	F150-F155 HydrophobicContact CE1-CB 3.93Å; F150-F155 HydrophobicContact CE1-CG 4.33Å; F150-F155 HydrophobicContact CE2-CB 3.78Å; F150-F155 HydrophobicContact CE2-CD2 4.09Å; F150-F155 HydrophobicContact CE2-CG 4.08Å; F150-F155 HydrophobicContact CZ-CB 3.22Å; F150-F155 HydrophobicContact CZ-CD1 4.02Å; F150-F155 AromaticContact CZ-CD2 3.8Å; F150-F155 HydrophobicContact CZ-CD2 3.8Å; F150-F155 AromaticContact CZ-CG 3.41Å; F150-F155 HydrophobicContact CZ-CG 3.41Å; F150-F155 VanDerWaalsContact CZ-CG 3.41Å; D151-F155 PolarHBondContact O-N 3.31Å; P152-F155 WeakPolarHBondContact O-CB 3.47Å; P152-F155 PolarHBondContact O-N 3.32Å; E153-F155 VanDerWaalsContact C-N 3.28Å; E153-F155 PolarHBondContact O-N 3.16Å; F155-L159 HydrophobicContact CB-CD1 4.48Å; F155-L159 HydrophobicContact CD2-CB 4.3Å; F155-L159 HydrophobicContact CD2-CD1 4.16Å; F155-L159 PolarHBondContact O-N 3.08Å; F155-L160 HydrophobicContact CE1-CB 4.32Å; F155-L160 HydrophobicContact CE1-CD1 4.33Å; F155-L160 HydrophobicContact CE1-CD2 4.26Å; F155-L160 HydrophobicContact CZ-CB 4.45Å; F155-L160 HydrophobicContact CZ-CD1 4.06Å; F155-L160 WeakPolarHBondContact O-CB 3.18Å; F155-L160 PolarHBondContact O-N 3.29Å; F155-V390 HydrophobicContact CD2-CG1 4.36Å; F155-V390 HydrophobicContact CD2-CG2 3.77Å; F155-V390 HydrophobicContact CE2-CB 4.39Å; F155-V390 HydrophobicContact CE2-CG1 3.76Å; F155-V390 HydrophobicContact CE2-CG2 3.61Å; F155-A514 HydrophobicContact CE2-CB 4.41Å; F155-M515 HydrophobicContact CE1-CG 4.45Å; F155-M515 HydrophobicContact CE1-SD 3.35Å; F155-M515 WeakPolarHBondContact CE1-SD 3.2Å; F155-M515 HydrophobicContact CZ-CG 4.08Å; F155-M515 HydrophobicContact CZ-SD 3.46Å; F155-M515 WeakPolarHBondContact CZ-SD 3.13Å; F155-S518 VanDerWaalsContact CD1-CB 3.41Å; F155-S518 WeakPolarHBondContact CD1-OG 3.46Å; F155-S518 WeakPolarHBondContact CE1-OG 3.45Å
156	F	88.3	Confident	82.4	Confident	23 Å²	23	36.8 Å²	36.8	10%	0.101	19%	0.189	C	C	.	.	I	π-helix	trans	-66.7	-39.6	-177.7	-73	-62.4	0	0	0	112.8	P152 E153 L160 P161 F338 M515 S518 L519	P152-F156 HydrophobicContact CB-CD2 4.32Å; P152-F156 HydrophobicContact CB-CE2 4.12Å; P152-F156 WeakPolarHBondContact O-CD2 3.3Å; P152-F156 PolarHBondContact O-N 2.95Å; E153-F156 PolarHBondContact O-N 3.08Å; F156-L160 HydrophobicContact CD1-CD2 3.72Å; F156-L160 HydrophobicContact CE1-CD2 4.28Å; F156-P161 WeakPolarHBondContact O-CD 3.23Å; F156-F338 WeakPolarHBondContact O-CE1 3.35Å; F156-F338 WeakPolarHBondContact O-CZ 3.41Å; F156-M515 HydrophobicContact CE1-SD 4.44Å; F156-S518 WeakPolarHBondContact CZ-OG 3.32Å; F156-L519 HydrophobicContact CE1-CD2 4.11Å; F156-L519 HydrophobicContact CE1-CG 4.45Å; F156-L519 HydrophobicContact CE2-CD2 4.49Å; F156-L519 HydrophobicContact CZ-CD2 3.57Å; F156-L519 HydrophobicContact CZ-CG 3.91Å
157	N	91.1	Very high	83.7	Confident	73 Å²	73	35.9 Å²	35.9	39%	0.39	19%	0.187	S	C	.	.	I	π-helix	trans	-89.8	-28.7	-172.4	-65	-19.9	0	0	0	113.8	E153 F338	E153-N157 VanDerWaalsContact O-CB 3.27Å; E153-N157 WeakPolarHBondContact O-CB 3.43Å; E153-N157 PolarHBondContact O-N 2.76Å; N157-F338 WeakPolarHBondContact OD1-CE1 3.22Å
158	V	91	Very high	85.2	Confident	69 Å²	69	31.6 Å²	31.6	42%	0.418	17%	0.169	S	C	.	.	I	π-helix	trans	-111.8	-52.7	-171.9	-175.1	0	0	0	0	112.3	F154 P162	F154-V158 HydrophobicContact CD2-CB 4.03Å; F154-V158 HydrophobicContact CD2-CG2 3.79Å; F154-V158 HydrophobicContact CE2-CB 3.88Å; F154-V158 HydrophobicContact CE2-CG1 3.89Å; F154-V158 HydrophobicContact CE2-CG2 3.92Å; F154-V158 HydrophobicContact CZ-CB 4.41Å; F154-V158 HydrophobicContact CZ-CG1 4.24Å; F154-V158 VanDerWaalsContact O-CB 3.27Å; F154-V158 WeakPolarHBondContact O-CB 3.37Å; F154-V158 PolarHBondContact O-N 2.65Å; V158-P162 WeakPolarHBondContact O-CD 3.32Å
159	L	90.4	Very high	86.8	Confident	14 Å²	14	31.9 Å²	31.9	7%	0.073	17%	0.167	C	C	.	.	I	π-helix	trans	-83.3	-39.3	-170.8	-61	174	0	0	0	113	F154 F155 P162 I163 F389 V390	F154-L159 HydrophobicContact CD1-CD1 3.92Å; F154-L159 HydrophobicContact CD1-CG 4.21Å; F154-L159 HydrophobicContact CE1-CD1 3.67Å; F154-L159 HydrophobicContact CE1-CD2 4.01Å; F154-L159 HydrophobicContact CE1-CG 3.78Å; F154-L159 HydrophobicContact CZ-CD2 4.25Å; F154-L159 HydrophobicContact CZ-CG 4.32Å; F154-L159 PolarHBondContact O-N 2.85Å; F155-L159 HydrophobicContact CB-CD1 4.48Å; F155-L159 HydrophobicContact CD2-CB 4.3Å; F155-L159 HydrophobicContact CD2-CD1 4.16Å; F155-L159 PolarHBondContact O-N 3.08Å; L159-P162 WeakPolarHBondContact O-CD 3.27Å; L159-I163 WeakPolarHBondContact O-CD1 3.2Å; L159-I163 WeakPolarHBondContact O-CG1 3.41Å; L159-F389 HydrophobicContact CD1-CD1 3.5Å; L159-F389 VanDerWaalsContact CD1-CD1 3.5Å; L159-F389 HydrophobicContact CD1-CE1 3.6Å; L159-F389 HydrophobicContact CD2-CD1 3.95Å; L159-F389 HydrophobicContact CD2-CE1 4.36Å; L159-F389 HydrophobicContact CG-CD1 4.39Å; L159-V390 HydrophobicContact CB-CG2 4.24Å; L159-V390 HydrophobicContact CD1-CG2 3.81Å
160	L	89.5	Confident	87.5	Confident	6 Å²	6	33.8 Å²	33.8	3%	0.031	18%	0.182	C	C	.	.	H	α-helix	trans	-71.5	-42.9	-172.6	-177.6	64.9	0	0	0	114	F155 F156 I163 I164 I349 M515	F155-L160 HydrophobicContact CE1-CB 4.32Å; F155-L160 HydrophobicContact CE1-CD1 4.33Å; F155-L160 HydrophobicContact CE1-CD2 4.26Å; F155-L160 HydrophobicContact CZ-CB 4.45Å; F155-L160 HydrophobicContact CZ-CD1 4.06Å; F155-L160 WeakPolarHBondContact O-CB 3.18Å; F155-L160 PolarHBondContact O-N 3.29Å; F156-L160 HydrophobicContact CD1-CD2 3.72Å; F156-L160 HydrophobicContact CE1-CD2 4.28Å; L160-I163 PolarHBondContact O-N 3.34Å; L160-I164 HydrophobicContact CD1-CD1 3.67Å; L160-I164 HydrophobicContact CD1-CG1 3.97Å; L160-I164 HydrophobicContact CD2-CD1 4Å; L160-I164 HydrophobicContact CG-CD1 3.52Å; L160-I164 HydrophobicContact CG-CG1 4.25Å; L160-I164 PolarHBondContact O-N 3.17Å; L160-I164 VanDerWaalsContact O-N 3.14Å; L160-I349 HydrophobicContact CD2-CD1 3.97Å; L160-I349 HydrophobicContact CD2-CG1 3.8Å; L160-M515 HydrophobicContact CD1-CE 3.59Å; L160-M515 HydrophobicContact CD1-CG 4.22Å; L160-M515 HydrophobicContact CD1-SD 3.28Å; L160-M515 WeakPolarHBondContact CD1-SD 3.29Å; L160-M515 HydrophobicContact CD2-CE 3.45Å; L160-M515 VanDerWaalsContact CD2-CE 3.45Å; L160-M515 HydrophobicContact CD2-SD 3.55Å; L160-M515 VanDerWaalsContact CD2-SD 3.55Å; L160-M515 HydrophobicContact CG-CE 4.1Å; L160-M515 HydrophobicContact CG-SD 4Å
161	P	91.7	Very high	87.7	Confident	3 Å²	3	33.9 Å²	33.9	2%	0.019	18%	0.182	C	C	.	.	H	α-helix	trans	-59.4	-43.5	-176.7	-22	33.5	0	0	0	113.3	F156 I163 I164 F165 Y335 F338	F156-P161 WeakPolarHBondContact O-CD 3.23Å; P161-I163 PolarHBondContact O-N 3.26Å; P161-I164 PolarHBondContact O-N 3.35Å; P161-F165 WeakPolarHBondContact O-CB 3.33Å; P161-F165 PolarHBondContact O-N 3.28Å; P161-Y335 HydrophobicContact CB-CD1 4.25Å; P161-Y335 HydrophobicContact CB-CE1 4.15Å; P161-F338 HydrophobicContact CB-CB 4.33Å; P161-F338 HydrophobicContact CB-CD2 4.34Å; P161-F338 HydrophobicContact CB-CG 4.18Å; P161-F338 HydrophobicContact CG-CB 4.34Å; P161-F338 HydrophobicContact CG-CD1 3.83Å; P161-F338 HydrophobicContact CG-CD2 3.9Å; P161-F338 HydrophobicContact CG-CE1 4.12Å; P161-F338 HydrophobicContact CG-CE2 4.17Å; P161-F338 HydrophobicContact CG-CG 3.72Å; P161-F338 HydrophobicContact CG-CZ 4.28Å
162	P	91	Very high	87.3	Confident	3 Å²	3	33 Å²	33	2%	0.019	17%	0.174	C	C	.	.	H	α-helix	trans	-59.4	-41.3	174.4	-30.8	39.9	0	0	0	114.8	V158 L159 S166 Y335 L382	V158-P162 WeakPolarHBondContact O-CD 3.32Å; L159-P162 WeakPolarHBondContact O-CD 3.27Å; P162-S166 WeakPolarHBondContact O-CB 3.4Å; P162-S166 PolarHBondContact O-N 3.46Å; P162-Y335 HydrophobicContact CG-CE1 4.11Å; P162-Y335 HydrophobicContact CG-CE2 4.45Å; P162-Y335 WeakPolarHBondContact CG-OH 3.46Å; P162-L382 HydrophobicContact CB-CB 4.06Å; P162-L382 HydrophobicContact CB-CD1 4.26Å; P162-L382 HydrophobicContact CG-CD1 4.39Å
163	I	89.4	Confident	86.9	Confident	24 Å²	24	35.5 Å²	35.5	12%	0.123	18%	0.18	C	C	.	.	H	α-helix	trans	-61.8	-51.7	-179.4	-65.2	169.6	0	0	0	109.3	L159 L160 P161 A167 V390	L159-I163 WeakPolarHBondContact O-CD1 3.2Å; L159-I163 WeakPolarHBondContact O-CG1 3.41Å; L160-I163 PolarHBondContact O-N 3.34Å; P161-I163 PolarHBondContact O-N 3.26Å; I163-A167 VanDerWaalsContact O-CB 3.29Å; I163-A167 WeakPolarHBondContact O-CB 3.06Å; I163-A167 PolarHBondContact O-N 2.85Å; I163-A167 VanDerWaalsContact O-N 3.13Å; I163-V390 HydrophobicContact CD1-CG2 4.42Å
164	I	89.6	Confident	86.2	Confident	8 Å²	8	31.2 Å²	31.2	4%	0.041	17%	0.174	C	C	.	.	H	α-helix	trans	-66.1	-45.2	-178.8	-62.6	165.4	0	0	0	110.7	L160 P161 A167 G168 V256 I349 V352 L353	L160-I164 HydrophobicContact CD1-CD1 3.67Å; L160-I164 HydrophobicContact CD1-CG1 3.97Å; L160-I164 HydrophobicContact CD2-CD1 4Å; L160-I164 HydrophobicContact CG-CD1 3.52Å; L160-I164 HydrophobicContact CG-CG1 4.25Å; L160-I164 PolarHBondContact O-N 3.17Å; L160-I164 VanDerWaalsContact O-N 3.14Å; P161-I164 PolarHBondContact O-N 3.35Å; I164-A167 PolarHBondContact O-N 3.27Å; I164-G168 PolarHBondContact O-N 3.25Å; I164-V256 HydrophobicContact CG2-CG1 4.13Å; I164-I349 HydrophobicContact CD1-CB 4.14Å; I164-I349 HydrophobicContact CD1-CG1 3.96Å; I164-I349 HydrophobicContact CD1-CG2 3.72Å; I164-V352 HydrophobicContact CB-CG1 4.34Å; I164-V352 HydrophobicContact CG2-CG1 4.19Å; I164-L353 HydrophobicContact CG2-CB 3.79Å; I164-L353 HydrophobicContact CG2-CD1 4.25Å
165	F	91.9	Very high	85.7	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.009	17%	0.17	C	C	.	.	H	α-helix	trans	-62.2	-51.6	-178.1	-177.1	-89.2	0	0	0	111.4	P161 A167 G168 Y169 F330 V352 F379	P161-F165 WeakPolarHBondContact O-CB 3.33Å; P161-F165 PolarHBondContact O-N 3.28Å; F165-A167 PolarHBondContact O-N 3Å; F165-G168 PolarHBondContact O-N 2.87Å; F165-Y169 HydrophobicContact CE1-CD2 4.31Å; F165-Y169 HydrophobicContact CE1-CG 4.12Å; F165-Y169 HydrophobicContact CZ-CD2 4.27Å; F165-Y169 HydrophobicContact CZ-CG 4.49Å; F165-Y169 WeakPolarHBondContact O-CB 3.15Å; F165-Y169 PolarHBondContact O-N 3.19Å; F165-F330 AromaticContact CE1-CE1 3.7Å; F165-F330 HydrophobicContact CE1-CE1 3.7Å; F165-F330 HydrophobicContact CE1-CZ 4.18Å; F165-F330 AromaticContact CZ-CE1 3.52Å; F165-F330 HydrophobicContact CZ-CE1 3.52Å; F165-F330 AromaticContact CZ-CZ 3.7Å; F165-F330 HydrophobicContact CZ-CZ 3.7Å; F165-V352 HydrophobicContact CB-CG1 3.7Å; F165-V352 HydrophobicContact CD2-CG1 4.15Å; F165-V352 HydrophobicContact CG-CG1 4.45Å; F165-F379 AromaticContact CD1-CD1 3.51Å; F165-F379 HydrophobicContact CD1-CD1 3.51Å; F165-F379 AromaticContact CD1-CD2 3.95Å; F165-F379 HydrophobicContact CD1-CD2 3.95Å; F165-F379 AromaticContact CD1-CE1 3.31Å; F165-F379 HydrophobicContact CD1-CE1 3.31Å; F165-F379 AromaticContact CD1-CE2 3.81Å; F165-F379 HydrophobicContact CD1-CE2 3.81Å; F165-F379 AromaticContact CD1-CG 3.82Å; F165-F379 HydrophobicContact CD1-CG 3.82Å; F165-F379 AromaticContact CD1-CZ 3.46Å; F165-F379 HydrophobicContact CD1-CZ 3.46Å; F165-F379 VanDerWaalsContact CD1-CZ 3.46Å; F165-F379 HydrophobicContact CE1-CD1 4.1Å; F165-F379 AromaticContact CE1-CD2 3.67Å; F165-F379 HydrophobicContact CE1-CD2 3.67Å; F165-F379 AromaticContact CE1-CE1 3.81Å; F165-F379 HydrophobicContact CE1-CE1 3.81Å; F165-F379 AromaticContact CE1-CE2 3.38Å; F165-F379 HydrophobicContact CE1-CE2 3.38Å; F165-F379 HydrophobicContact CE1-CG 4.03Å; F165-F379 AromaticContact CE1-CZ 3.43Å; F165-F379 HydrophobicContact CE1-CZ 3.43Å; F165-F379 VanDerWaalsContact CE1-CZ 3.43Å; F165-F379 HydrophobicContact CG-CD1 4.5Å; F165-F379 HydrophobicContact CG-CE1 4.11Å; F165-F379 HydrophobicContact CG-CZ 4.38Å; F165-F379 HydrophobicContact CZ-CE2 4.34Å; F165-F379 HydrophobicContact CZ-CZ 4.32Å
166	S	88.8	Confident	85.2	Confident	10 Å²	10	31 Å²	31	7%	0.07	17%	0.172	C	C	.	.	H	α-helix	trans	-56	-42.4	178.8	-174.4	0	0	0	0	111	P162 Y169 S170 F379	P162-S166 WeakPolarHBondContact O-CB 3.4Å; P162-S166 PolarHBondContact O-N 3.46Å; S166-Y169 PolarHBondContact O-N 2.98Å; S166-S170 VanDerWaalsContact O-CB 3.23Å; S166-S170 WeakPolarHBondContact O-CB 3.2Å; S166-S170 PolarHBondContact O-N 2.9Å; S166-F379 WeakPolarHBondContact CB-O 3.13Å; S166-F379 VanDerWaalsContact OG-C 3.27Å; S166-F379 PolarHBondContact OG-O 2.72Å
167	A	83.5	Confident	84.8	Confident	19 Å²	19	31.6 Å²	31.6	16%	0.157	17%	0.174	C	C	.	.	H	α-helix	trans	-70.7	-41.5	-179.4	0	0	0	0	0	112.5	I163 I164 F165 Y169 M171 F252	I163-A167 VanDerWaalsContact O-CB 3.29Å; I163-A167 WeakPolarHBondContact O-CB 3.06Å; I163-A167 PolarHBondContact O-N 2.85Å; I163-A167 VanDerWaalsContact O-N 3.13Å; I164-A167 PolarHBondContact O-N 3.27Å; F165-A167 PolarHBondContact O-N 3Å; A167-Y169 VanDerWaalsContact C-N 3.31Å; A167-Y169 PolarHBondContact O-N 3.39Å; A167-M171 WeakPolarHBondContact O-CB 3.43Å; A167-M171 PolarHBondContact O-N 2.89Å; A167-F252 HydrophobicContact CB-CD2 4.4Å; A167-F252 HydrophobicContact CB-CE2 3.25Å; A167-F252 HydrophobicContact CB-CZ 3.38Å; A167-F252 WeakPolarHBondContact O-CZ 3.25Å
168	G	86.6	Confident	84.2	Confident	1 Å²	1	32 Å²	32	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-63.3	-36.1	172	0	0	0	0	0	113	I164 F165	I164-G168 PolarHBondContact O-N 3.25Å; F165-G168 PolarHBondContact O-N 2.87Å
169	Y	89	Confident	83.7	Confident	18 Å²	18	29.5 Å²	29.5	7%	0.071	16%	0.157	C	C	.	.	H	α-helix	trans	-77.4	-40.3	-177.5	-178	-103.7	0	0	0	113.5	F165 S166 A167 M171 F330 A360 Y364 T375 K376	F165-Y169 HydrophobicContact CE1-CD2 4.31Å; F165-Y169 HydrophobicContact CE1-CG 4.12Å; F165-Y169 HydrophobicContact CZ-CD2 4.27Å; F165-Y169 HydrophobicContact CZ-CG 4.49Å; F165-Y169 WeakPolarHBondContact O-CB 3.15Å; F165-Y169 PolarHBondContact O-N 3.19Å; S166-Y169 PolarHBondContact O-N 2.98Å; A167-Y169 VanDerWaalsContact C-N 3.31Å; A167-Y169 PolarHBondContact O-N 3.39Å; Y169-M171 VanDerWaalsContact C-N 3.27Å; Y169-M171 PolarHBondContact O-N 3.47Å; Y169-F330 AromaticContact CD2-CZ 3.92Å; Y169-F330 HydrophobicContact CD2-CZ 3.92Å; Y169-F330 HydrophobicContact CE2-CE1 4.32Å; Y169-F330 HydrophobicContact CE2-CE2 4.15Å; Y169-F330 AromaticContact CE2-CZ 3.46Å; Y169-F330 HydrophobicContact CE2-CZ 3.46Å; Y169-F330 VanDerWaalsContact CE2-CZ 3.46Å; Y169-A360 HydrophobicContact CD2-CB 3.66Å; Y169-A360 HydrophobicContact CE2-CB 4.16Å; Y169-A360 HydrophobicContact CG-CB 4.37Å; Y169-Y364 HydrophobicContact CE2-CD2 4.36Å; Y169-Y364 AromaticContact CZ-CD2 3.9Å; Y169-Y364 WeakPolarHBondContact OH-CD2 3.12Å; Y169-T375 HydrophobicContact CE1-CG2 3.99Å; Y169-T375 WeakPolarHBondContact OH-CG2 3.49Å; Y169-K376 HydrophobicContact CE1-CB 4.38Å
170	S	82.1	Confident	83.4	Confident	65 Å²	65	30.9 Å²	30.9	46%	0.455	16%	0.164	S	C	.	.	H	α-helix	trans	-77	-13.6	179.2	-166.5	0	0	0	0	113	S166	S166-S170 VanDerWaalsContact O-CB 3.23Å; S166-S170 WeakPolarHBondContact O-CB 3.2Å; S166-S170 PolarHBondContact O-N 2.9Å
171	M	75.8	Confident	83.1	Confident	9 Å²	9	32.6 Å²	32.6	4%	0.044	18%	0.183	C	C	.	.	S	Bend	trans	-64.3	139.6	-178.4	-171.6	179.7	62.9	0	0	112.8	A167 Y169 R173 F176 F252 V357	A167-M171 WeakPolarHBondContact O-CB 3.43Å; A167-M171 PolarHBondContact O-N 2.89Å; Y169-M171 VanDerWaalsContact C-N 3.27Å; Y169-M171 PolarHBondContact O-N 3.47Å; M171-R173 PolarHBondContact O-N 3.01Å; M171-F176 HydrophobicContact CE-CB 3.48Å; M171-F176 VanDerWaalsContact CE-CB 3.48Å; M171-F176 HydrophobicContact CE-CD1 3.2Å; M171-F176 HydrophobicContact CE-CD2 3.32Å; M171-F176 HydrophobicContact CE-CE1 3.58Å; M171-F176 HydrophobicContact CE-CE2 3.67Å; M171-F176 HydrophobicContact CE-CG 3.03Å; M171-F176 HydrophobicContact CE-CZ 3.79Å; M171-F176 HydrophobicContact CG-CB 4.27Å; M171-F176 HydrophobicContact SD-CB 3.71Å; M171-F176 HydrophobicContact SD-CD1 4.24Å; M171-F176 HydrophobicContact SD-CD2 3.18Å; M171-F176 WeakPolarHBondContact SD-CD2 3.11Å; M171-F176 HydrophobicContact SD-CE2 3.71Å; M171-F176 HydrophobicContact SD-CG 3.47Å; M171-F176 WeakPolarHBondContact SD-CG 3.27Å; M171-F176 HydrophobicContact SD-CZ 4.41Å; M171-F252 HydrophobicContact CB-CE1 4.3Å; M171-F252 HydrophobicContact CG-CD1 4.18Å; M171-F252 HydrophobicContact CG-CE1 4.36Å; M171-F252 HydrophobicContact SD-CD1 3.45Å; M171-F252 WeakPolarHBondContact SD-CD1 2.81Å; M171-F252 HydrophobicContact SD-CE1 3.65Å; M171-V357 HydrophobicContact CE-CG2 4.02Å
172	K	74.4	Confident	82.9	Confident	85 Å²	85	32.7 Å²	32.7	37%	0.37	18%	0.184	S	C	.	.			trans	-75	97.5	177.7	-62.2	-169	-167.9	168.7	0	112	G174 Y175 F176 V245 C566	K172-G174 PolarHBondContact O-N 2.77Å; K172-Y175 HydrophobicContact CB-CD2 4.32Å; K172-Y175 PolarHBondContact O-N 3.47Å; K172-F176 PolarHBondContact O-N 3.29Å; K172-V245 HydrophobicContact CB-CG1 4.21Å; K172-V245 HydrophobicContact CD-CG1 3.66Å; K172-V245 HydrophobicContact CD-CG2 4.29Å; K172-V245 HydrophobicContact CG-CG1 4.4Å; K172-V245 VanDerWaalsContact NZ-CG2 3.33Å; K172-C566 PolarHBondContact NZ-SG 3.34Å
173	R	74.9	Confident	82.8	Confident	80 Å²	80	32.6 Å²	32.6	30%	0.302	18%	0.183	S	C	.	.	H	α-helix	trans	-39.5	-58	-179.2	-63.6	170.6	-85.2	168	3.4	114	M171 Y175 F176 F177 A360	M171-R173 PolarHBondContact O-N 3.01Å; R173-Y175 PolarHBondContact O-N 3.08Å; R173-F176 PolarHBondContact O-N 3.2Å; R173-F177 HydrophobicContact CB-CD2 4.32Å; R173-F177 HydrophobicContact CB-CE2 4.29Å; R173-F177 WeakPolarHBondContact O-CD2 3.45Å; R173-F177 PolarHBondContact O-N 3.14Å; R173-A360 WeakPolarHBondContact CD-O 3.5Å; R173-A360 PolarHBondContact NE-O 3.3Å; R173-A360 PolarHBondContact NH1-O 3.39Å
174	G	73.6	Confident	82.7	Confident	55 Å²	55	35.1 Å²	35.1	57%	0.567	20%	0.196	S	C	*	.	H	α-helix	trans	-59.6	-42.7	-174.2	0	0	0	0	0	114.6	K172 K178	K172-G174 PolarHBondContact O-N 2.77Å; G174-K178 WeakPolarHBondContact O-CB 3.22Å; G174-K178 PolarHBondContact O-N 3.47Å; G174-K178 VanDerWaalsContact O-N 3.16Å
175	Y	77	Confident	82.8	Confident	75 Å²	75	36.9 Å²	36.9	29%	0.294	21%	0.208	S	C	.	.	H	α-helix	trans	-74.3	-34.4	179.6	-70.3	-76.5	0	0	0	112.7	K172 R173 N179 V245 N246	K172-Y175 HydrophobicContact CB-CD2 4.32Å; K172-Y175 PolarHBondContact O-N 3.47Å; R173-Y175 PolarHBondContact O-N 3.08Å; Y175-N179 PolarHBondContact O-N 3.2Å; Y175-N179 PolarHBondContact O-ND2 3.42Å; Y175-V245 HydrophobicContact CD2-CG1 3.53Å; Y175-V245 HydrophobicContact CE2-CG1 4.09Å; Y175-V245 HydrophobicContact CG-CG1 3.79Å; Y175-N246 WeakPolarHBondContact CD1-OD1 3.48Å
176	F	80.3	Confident	82.7	Confident	10 Å²	10	37.1 Å²	37.1	4%	0.044	21%	0.209	C	C	.	.	H	α-helix	trans	-66.9	-51.4	175.3	176.9	-104.6	0	0	0	111.8	M171 K172 R173 K178 N179 I180 V183	M171-F176 HydrophobicContact CE-CB 3.48Å; M171-F176 VanDerWaalsContact CE-CB 3.48Å; M171-F176 HydrophobicContact CE-CD1 3.2Å; M171-F176 HydrophobicContact CE-CD2 3.32Å; M171-F176 HydrophobicContact CE-CE1 3.58Å; M171-F176 HydrophobicContact CE-CE2 3.67Å; M171-F176 HydrophobicContact CE-CG 3.03Å; M171-F176 HydrophobicContact CE-CZ 3.79Å; M171-F176 HydrophobicContact CG-CB 4.27Å; M171-F176 HydrophobicContact SD-CB 3.71Å; M171-F176 HydrophobicContact SD-CD1 4.24Å; M171-F176 HydrophobicContact SD-CD2 3.18Å; M171-F176 WeakPolarHBondContact SD-CD2 3.11Å; M171-F176 HydrophobicContact SD-CE2 3.71Å; M171-F176 HydrophobicContact SD-CG 3.47Å; M171-F176 WeakPolarHBondContact SD-CG 3.27Å; M171-F176 HydrophobicContact SD-CZ 4.41Å; K172-F176 PolarHBondContact O-N 3.29Å; R173-F176 PolarHBondContact O-N 3.2Å; F176-K178 VanDerWaalsContact C-N 3.28Å; F176-K178 PolarHBondContact O-N 3.09Å; F176-N179 CarbonylContact O-C 3.33Å; F176-N179 PolarHBondContact O-N 2.95Å; F176-I180 HydrophobicContact CD1-CD1 4.37Å; F176-I180 HydrophobicContact CE1-CD1 3.59Å; F176-I180 HydrophobicContact CE2-CD1 4.22Å; F176-I180 HydrophobicContact CZ-CD1 3.51Å; F176-I180 PolarHBondContact O-N 3.27Å; F176-V183 HydrophobicContact CD2-CG2 4.45Å; F176-V183 HydrophobicContact CE2-CG1 4.13Å; F176-V183 HydrophobicContact CE2-CG2 4.3Å
177	F	79.3	Confident	82.6	Confident	35 Å²	35	36.7 Å²	36.7	15%	0.154	21%	0.205	C	C	.	.	H	α-helix	trans	-64.3	-32.1	-179.9	-74.5	-66.2	0	0	0	112.5	R173 N179 I180 V357 W591	R173-F177 HydrophobicContact CB-CD2 4.32Å; R173-F177 HydrophobicContact CB-CE2 4.29Å; R173-F177 WeakPolarHBondContact O-CD2 3.45Å; R173-F177 PolarHBondContact O-N 3.14Å; F177-N179 VanDerWaalsContact C-N 3.28Å; F177-N179 PolarHBondContact O-N 3.37Å; F177-I180 VanDerWaalsContact O-CG2 3.28Å; F177-I180 WeakPolarHBondContact O-CG2 3.46Å; F177-V357 HydrophobicContact CE2-CG1 4.31Å; F177-V357 HydrophobicContact CZ-CG1 3.74Å; F177-W591 HydrophobicContact CD1-CE3 4.1Å; F177-W591 AromaticContact CD1-CH2 3.93Å; F177-W591 HydrophobicContact CD1-CH2 3.93Å; F177-W591 AromaticContact CD1-CZ3 3.67Å; F177-W591 HydrophobicContact CD1-CZ3 3.67Å; F177-W591 HydrophobicContact CD2-CH2 4.18Å; F177-W591 AromaticContact CD2-CZ3 3.91Å; F177-W591 HydrophobicContact CD2-CZ3 3.91Å; F177-W591 HydrophobicContact CE1-CE3 4.37Å; F177-W591 AromaticContact CE1-CH2 3.45Å; F177-W591 HydrophobicContact CE1-CH2 3.45Å; F177-W591 VanDerWaalsContact CE1-CH2 3.45Å; F177-W591 AromaticContact CE1-CZ2 3.89Å; F177-W591 HydrophobicContact CE1-CZ2 3.89Å; F177-W591 AromaticContact CE1-CZ3 3.72Å; F177-W591 HydrophobicContact CE1-CZ3 3.72Å; F177-W591 AromaticContact CE2-CH2 3.76Å; F177-W591 HydrophobicContact CE2-CH2 3.76Å; F177-W591 AromaticContact CE2-CZ3 3.98Å; F177-W591 HydrophobicContact CE2-CZ3 3.98Å; F177-W591 HydrophobicContact CG-CE3 4.4Å; F177-W591 HydrophobicContact CG-CH2 4.29Å; F177-W591 AromaticContact CG-CZ3 3.78Å; F177-W591 HydrophobicContact CG-CZ3 3.78Å; F177-W591 AromaticContact CZ-CH2 3.37Å; F177-W591 HydrophobicContact CZ-CH2 3.37Å; F177-W591 HydrophobicContact CZ-CZ2 4.05Å; F177-W591 AromaticContact CZ-CZ3 3.89Å; F177-W591 HydrophobicContact CZ-CZ3 3.89Å
178	K	77.7	Confident	82.9	Confident	82 Å²	82	38.2 Å²	38.2	36%	0.357	21%	0.209	S	C	.	.	H	α-helix	trans	-63.8	-33.3	172.5	-173	170.7	-176.6	166.7	0	112.7	G174 F176	G174-K178 WeakPolarHBondContact O-CB 3.22Å; G174-K178 PolarHBondContact O-N 3.47Å; G174-K178 VanDerWaalsContact O-N 3.16Å; F176-K178 VanDerWaalsContact C-N 3.28Å; F176-K178 PolarHBondContact O-N 3.09Å
179	N	80.7	Confident	83	Confident	16 Å²	16	39.3 Å²	39.3	9%	0.086	22%	0.22	C	C	.	.	H	α-helix	trans	-104.7	8.1	-177	-68.5	-59	0	0	0	114.1	Y175 F176 F177 G181 A182 V183 N246 R437	Y175-N179 PolarHBondContact O-N 3.2Å; Y175-N179 PolarHBondContact O-ND2 3.42Å; F176-N179 CarbonylContact O-C 3.33Å; F176-N179 PolarHBondContact O-N 2.95Å; F177-N179 VanDerWaalsContact C-N 3.28Å; F177-N179 PolarHBondContact O-N 3.37Å; N179-G181 VanDerWaalsContact C-N 3.27Å; N179-G181 PolarHBondContact O-N 2.87Å; N179-G181 VanDerWaalsContact O-N 3.15Å; N179-A182 WeakPolarHBondContact O-CB 3.48Å; N179-A182 PolarHBondContact O-N 3.42Å; N179-V183 PolarHBondContact O-N 2.89Å; N179-N246 PolarHBondContact ND2-OD1 2.99Å; N179-R437 PolarHBondContact OD1-NH2 3.24Å
180	I	83.8	Confident	83	Confident	43 Å²	43	38.8 Å²	38.8	22%	0.221	22%	0.22	C	C	.	.	H	α-helix	trans	-55.2	-39.5	-172.3	-170.9	60.1	0	0	0	113.1	F176 F177 A182 V183 L184	F176-I180 HydrophobicContact CD1-CD1 4.37Å; F176-I180 HydrophobicContact CE1-CD1 3.59Å; F176-I180 HydrophobicContact CE2-CD1 4.22Å; F176-I180 HydrophobicContact CZ-CD1 3.51Å; F176-I180 PolarHBondContact O-N 3.27Å; F177-I180 VanDerWaalsContact O-CG2 3.28Å; F177-I180 WeakPolarHBondContact O-CG2 3.46Å; I180-A182 VanDerWaalsContact C-N 3.32Å; I180-A182 PolarHBondContact O-N 2.92Å; I180-V183 PolarHBondContact O-N 2.79Å; I180-L184 VanDerWaalsContact O-CB 3.32Å; I180-L184 WeakPolarHBondContact O-CB 3.19Å; I180-L184 PolarHBondContact O-N 3.34Å
181	G	84.7	Confident	83.3	Confident	41 Å²	41	35.9 Å²	35.9	42%	0.423	20%	0.2	S	C	.	.	H	α-helix	trans	-64.1	-35.7	178	0	0	0	0	0	113.1	N179 T185	N179-G181 VanDerWaalsContact C-N 3.27Å; N179-G181 PolarHBondContact O-N 2.87Å; N179-G181 VanDerWaalsContact O-N 3.15Å; G181-T185 WeakPolarHBondContact O-CB 3.3Å; G181-T185 PolarHBondContact O-N 2.93Å; G181-T185 PolarHBondContact O-OG1 3.26Å
182	A	87.9	Confident	83.9	Confident	6 Å²	6	40.5 Å²	40.5	5%	0.05	22%	0.224	C	C	.	.	H	α-helix	trans	-70.9	-45.2	175.4	0	0	0	0	0	110.8	N179 I180 L184 T185 Y186 L250 I433	N179-A182 WeakPolarHBondContact O-CB 3.48Å; N179-A182 PolarHBondContact O-N 3.42Å; I180-A182 VanDerWaalsContact C-N 3.32Å; I180-A182 PolarHBondContact O-N 2.92Å; A182-L184 VanDerWaalsContact C-N 3.34Å; A182-L184 PolarHBondContact O-N 3.46Å; A182-T185 PolarHBondContact O-N 2.92Å; A182-Y186 WeakPolarHBondContact O-CD2 3.33Å; A182-Y186 PolarHBondContact O-N 3.2Å; A182-L250 HydrophobicContact CB-CD1 3.97Å; A182-I433 HydrophobicContact CB-CD1 4.17Å; A182-I433 HydrophobicContact CB-CG2 4.04Å
183	V	87.9	Confident	84.6	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.006	22%	0.22	C	C	.	.	H	α-helix	trans	-54.9	-50.1	174.5	170.3	0	0	0	0	110.7	F176 N179 I180 T185 Y186 A187 L250 G253 L257	F176-V183 HydrophobicContact CD2-CG2 4.45Å; F176-V183 HydrophobicContact CE2-CG1 4.13Å; F176-V183 HydrophobicContact CE2-CG2 4.3Å; N179-V183 PolarHBondContact O-N 2.89Å; I180-V183 PolarHBondContact O-N 2.79Å; V183-T185 VanDerWaalsContact C-N 3.34Å; V183-T185 PolarHBondContact O-N 3Å; V183-Y186 PolarHBondContact O-N 2.88Å; V183-A187 WeakPolarHBondContact O-CB 3.45Å; V183-A187 PolarHBondContact O-N 3.43Å; V183-L250 HydrophobicContact CG2-CD1 3.7Å; V183-G253 VanDerWaalsContact CG1-C 3.49Å; V183-L257 HydrophobicContact CG1-CD1 3.72Å
184	L	88.3	Confident	85.2	Confident	76 Å²	76	35.5 Å²	35.5	40%	0.398	21%	0.207	S	C	.	.	H	α-helix	trans	-63.8	-38.8	179.9	-165	74.7	0	0	0	112.1	I180 A182 A187 F188	I180-L184 VanDerWaalsContact O-CB 3.32Å; I180-L184 WeakPolarHBondContact O-CB 3.19Å; I180-L184 PolarHBondContact O-N 3.34Å; A182-L184 VanDerWaalsContact C-N 3.34Å; A182-L184 PolarHBondContact O-N 3.46Å; L184-A187 PolarHBondContact O-N 3.4Å; L184-F188 HydrophobicContact CD1-CD2 3.43Å; L184-F188 VanDerWaalsContact CD1-CD2 3.43Å; L184-F188 HydrophobicContact CD1-CE2 3.26Å; L184-F188 HydrophobicContact CD1-CZ 4.44Å; L184-F188 HydrophobicContact CG-CD2 3.71Å; L184-F188 HydrophobicContact CG-CE2 4.03Å; L184-F188 WeakPolarHBondContact O-CB 3.18Å; L184-F188 PolarHBondContact O-N 2.79Å
185	T	90	Very high	85.8	Confident	45 Å²	45	33.2 Å²	33.2	28%	0.276	18%	0.183	S	C	.	.	I	π-helix	trans	-65.6	-43.2	177.3	-58.3	0	0	0	0	111.3	G181 A182 V183 G189 G190 L429 L432 I433	G181-T185 WeakPolarHBondContact O-CB 3.3Å; G181-T185 PolarHBondContact O-N 2.93Å; G181-T185 PolarHBondContact O-OG1 3.26Å; A182-T185 PolarHBondContact O-N 2.92Å; V183-T185 VanDerWaalsContact C-N 3.34Å; V183-T185 PolarHBondContact O-N 3Å; T185-G189 VanDerWaalsContact O-CA 3.24Å; T185-G189 WeakPolarHBondContact O-CA 3.2Å; T185-G189 PolarHBondContact O-N 3.35Å; T185-G190 PolarHBondContact O-N 2.89Å; T185-L429 HydrophobicContact CG2-CD2 4.21Å; T185-L432 HydrophobicContact CG2-CD2 4.44Å; T185-I433 HydrophobicContact CG2-CD1 4.02Å; T185-I433 HydrophobicContact CG2-CG1 3.95Å
186	Y	90	Very high	86.3	Confident	8 Å²	8	34.3 Å²	34.3	3%	0.031	19%	0.194	C	C	.	.	I	π-helix	trans	-67.1	-40.4	174.6	-72.8	-61.8	0	0	0	112.4	A182 V183 G190 L250 L429 T430 I433 I498	A182-Y186 WeakPolarHBondContact O-CD2 3.33Å; A182-Y186 PolarHBondContact O-N 3.2Å; V183-Y186 PolarHBondContact O-N 2.88Å; Y186-G190 WeakPolarHBondContact O-CA 3.24Å; Y186-G190 PolarHBondContact O-N 3.25Å; Y186-L250 HydrophobicContact CD2-CD1 3.76Å; Y186-L250 HydrophobicContact CD2-CD2 4.45Å; Y186-L250 HydrophobicContact CD2-CG 4.26Å; Y186-L250 HydrophobicContact CE2-CD1 3.85Å; Y186-L250 HydrophobicContact CE2-CD2 3.85Å; Y186-L250 HydrophobicContact CE2-CG 4.16Å; Y186-L429 HydrophobicContact CD1-CB 4.01Å; Y186-L429 HydrophobicContact CD1-CD1 4.34Å; Y186-L429 HydrophobicContact CE1-CB 3.94Å; Y186-T430 WeakPolarHBondContact OH-CA 3.47Å; Y186-T430 WeakPolarHBondContact OH-CB 3.46Å; Y186-T430 WeakPolarHBondContact OH-CG2 3.43Å; Y186-T430 PolarHBondContact OH-OG1 2.85Å; Y186-I433 HydrophobicContact CD1-CD1 4.29Å; Y186-I433 HydrophobicContact CD2-CD1 3.84Å; Y186-I433 HydrophobicContact CE1-CD1 3.9Å; Y186-I433 HydrophobicContact CE2-CD1 3.38Å; Y186-I433 HydrophobicContact CG-CD1 4.26Å; Y186-I433 VanDerWaalsContact CZ-CD1 3.42Å; Y186-I498 HydrophobicContact CE2-CD1 4.2Å; Y186-I498 VanDerWaalsContact OH-CD1 3.3Å; Y186-I498 WeakPolarHBondContact OH-CD1 3.28Å
187	A	88.3	Confident	86.8	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.197	C	C	.	.	I	π-helix	trans	-64.6	-66.5	177.2	0	0	0	0	0	110.2	V183 L184 T191 L257 L261	V183-A187 WeakPolarHBondContact O-CB 3.45Å; V183-A187 PolarHBondContact O-N 3.43Å; L184-A187 PolarHBondContact O-N 3.4Å; A187-T191 WeakPolarHBondContact O-CB 3.35Å; A187-T191 PolarHBondContact O-N 3.03Å; A187-T191 PolarHBondContact O-OG1 3.08Å; A187-L257 HydrophobicContact CB-CB 3.7Å; A187-L257 HydrophobicContact CB-CD1 4.2Å; A187-L261 HydrophobicContact CB-CD1 3.7Å
188	F	89.2	Confident	87.3	Confident	51 Å²	51	33.3 Å²	33.3	22%	0.224	19%	0.191	C	C	.	.	I	π-helix	trans	-66.8	-53.4	-176.4	-79.6	-94.2	0	0	0	113.7	L184 L192 L261 F292 F296	L184-F188 HydrophobicContact CD1-CD2 3.43Å; L184-F188 VanDerWaalsContact CD1-CD2 3.43Å; L184-F188 HydrophobicContact CD1-CE2 3.26Å; L184-F188 HydrophobicContact CD1-CZ 4.44Å; L184-F188 HydrophobicContact CG-CD2 3.71Å; L184-F188 HydrophobicContact CG-CE2 4.03Å; L184-F188 WeakPolarHBondContact O-CB 3.18Å; L184-F188 PolarHBondContact O-N 2.79Å; F188-L192 WeakPolarHBondContact O-CB 3.19Å; F188-L192 PolarHBondContact O-N 2.82Å; F188-L261 HydrophobicContact CD1-CD1 4.43Å; F188-L261 HydrophobicContact CD1-CD2 3.93Å; F188-L261 HydrophobicContact CD2-CD1 3.93Å; F188-L261 HydrophobicContact CD2-CD2 4.4Å; F188-L261 HydrophobicContact CE1-CD2 3.44Å; F188-L261 VanDerWaalsContact CE1-CD2 3.44Å; F188-L261 HydrophobicContact CE2-CD1 4.05Å; F188-L261 HydrophobicContact CE2-CD2 3.94Å; F188-L261 HydrophobicContact CG-CD1 4.14Å; F188-L261 HydrophobicContact CG-CD2 4.4Å; F188-L261 HydrophobicContact CZ-CD1 4.4Å; F188-L261 HydrophobicContact CZ-CD2 3.46Å; F188-L261 VanDerWaalsContact CZ-CD2 3.46Å; F188-F292 HydrophobicContact CD1-CE1 4.31Å; F188-F292 HydrophobicContact CD1-CZ 4.4Å; F188-F292 AromaticContact CE1-CE1 3.95Å; F188-F292 HydrophobicContact CE1-CE1 3.95Å; F188-F292 HydrophobicContact CE1-CZ 4.11Å; F188-F296 HydrophobicContact CE1-CD1 4.45Å; F188-F296 AromaticContact CE2-CE1 3.95Å; F188-F296 HydrophobicContact CE2-CE1 3.95Å; F188-F296 HydrophobicContact CE2-CE2 4.23Å; F188-F296 AromaticContact CE2-CZ 3.71Å; F188-F296 HydrophobicContact CE2-CZ 3.71Å; F188-F296 AromaticContact CZ-CD1 3.68Å; F188-F296 HydrophobicContact CZ-CD1 3.68Å; F188-F296 HydrophobicContact CZ-CD2 4.14Å; F188-F296 AromaticContact CZ-CE1 3.41Å; F188-F296 HydrophobicContact CZ-CE1 3.41Å; F188-F296 VanDerWaalsContact CZ-CE1 3.41Å; F188-F296 AromaticContact CZ-CE2 3.88Å; F188-F296 HydrophobicContact CZ-CE2 3.88Å; F188-F296 HydrophobicContact CZ-CG 4.04Å; F188-F296 AromaticContact CZ-CZ 3.5Å; F188-F296 HydrophobicContact CZ-CZ 3.5Å
189	G	89.2	Confident	87.7	Confident	25 Å²	25	29.5 Å²	29.5	26%	0.258	18%	0.175	S	C	.	.	I	π-helix	trans	-67.9	-38.2	-177.5	0	0	0	0	0	111.8	T185 L193	T185-G189 VanDerWaalsContact O-CA 3.24Å; T185-G189 WeakPolarHBondContact O-CA 3.2Å; T185-G189 PolarHBondContact O-N 3.35Å; G189-L193 WeakPolarHBondContact O-CB 3.31Å; G189-L193 PolarHBondContact O-N 3.18Å
190	G	89.1	Confident	88	Confident	6 Å²	6	33 Å²	33	6%	0.062	20%	0.197	C	C	.	.	H	α-helix	trans	-71.8	-41.8	179.8	0	0	0	0	0	112	T185 Y186 S194	T185-G190 PolarHBondContact O-N 2.89Å; Y186-G190 WeakPolarHBondContact O-CA 3.24Å; Y186-G190 PolarHBondContact O-N 3.25Å; G190-S194 VanDerWaalsContact O-CB 3.29Å; G190-S194 WeakPolarHBondContact O-CB 3.45Å; G190-S194 PolarHBondContact O-N 2.66Å; G190-S194 PolarHBondContact O-OG 2.69Å
191	T	88.2	Confident	88.3	Confident	5 Å²	5	32.2 Å²	32.2	3%	0.031	19%	0.193	C	C	.	.	H	α-helix	trans	-58.5	-56.5	171.3	-60.9	0	0	0	0	110.4	A187 L193 S194 A195 Y225 I229 N258 L261 L265	A187-T191 WeakPolarHBondContact O-CB 3.35Å; A187-T191 PolarHBondContact O-N 3.03Å; A187-T191 PolarHBondContact O-OG1 3.08Å; T191-L193 VanDerWaalsContact C-N 3.34Å; T191-L193 PolarHBondContact O-N 3.25Å; T191-S194 PolarHBondContact O-N 3.48Å; T191-S194 PolarHBondContact O-OG 2.61Å; T191-S194 VanDerWaalsContact O-OG 3.13Å; T191-A195 WeakPolarHBondContact O-CB 3.19Å; T191-A195 PolarHBondContact O-N 2.82Å; T191-Y225 VanDerWaalsContact C-OH 3.27Å; T191-Y225 WeakPolarHBondContact CA-OH 3.16Å; T191-Y225 WeakPolarHBondContact CG2-OH 3.29Å; T191-Y225 PolarHBondContact O-OH 2.93Å; T191-I229 VanDerWaalsContact CA-CD1 3.4Å; T191-I229 HydrophobicContact CG2-CD1 3.84Å; T191-N258 PolarHBondContact OG1-OD1 3.25Å; T191-L261 HydrophobicContact CG2-CB 4.12Å; T191-L265 HydrophobicContact CG2-CD2 4.11Å
192	L	87.3	Confident	88.4	Confident	106 Å²	106	30.4 Å²	30.4	56%	0.555	17%	0.173	S	C	*	.	H	α-helix	trans	-58.2	-44.4	-178.3	-176.8	63	0	0	0	113	F188 A195 L196	F188-L192 WeakPolarHBondContact O-CB 3.19Å; F188-L192 PolarHBondContact O-N 2.82Å; L192-A195 VanDerWaalsContact O-CB 3.31Å; L192-A195 WeakPolarHBondContact O-CB 3.33Å; L192-A195 PolarHBondContact O-N 2.9Å; L192-L196 WeakPolarHBondContact O-CG 3.08Å; L192-L196 PolarHBondContact O-N 3.47Å
193	L	89.5	Confident	88.3	Confident	55 Å²	55	33.8 Å²	33.8	29%	0.288	19%	0.185	S	C	.	.	H	α-helix	trans	-67.7	-43	-178.9	-177	54.5	0	0	0	111.9	G189 T191 A195 L196 V197 V424	G189-L193 WeakPolarHBondContact O-CB 3.31Å; G189-L193 PolarHBondContact O-N 3.18Å; T191-L193 VanDerWaalsContact C-N 3.34Å; T191-L193 PolarHBondContact O-N 3.25Å; L193-A195 VanDerWaalsContact C-N 3.27Å; L193-A195 PolarHBondContact O-N 3.32Å; L193-L196 PolarHBondContact O-N 3.07Å; L193-V197 HydrophobicContact CD1-CG2 4.32Å; L193-V197 VanDerWaalsContact O-CG2 3.24Å; L193-V197 WeakPolarHBondContact O-CG2 3.48Å; L193-V197 PolarHBondContact O-N 2.91Å; L193-V424 HydrophobicContact CD1-CG1 4.18Å; L193-V424 HydrophobicContact CD2-CG1 3.96Å; L193-V424 WeakPolarHBondContact CD2-O 3.45Å; L193-V424 HydrophobicContact CG-CG1 4Å
194	S	88.1	Confident	88.3	Confident	4 Å²	4	35.9 Å²	35.9	3%	0.028	21%	0.207	C	C	.	.	H	α-helix	trans	-69	-26.7	176.3	57.1	0	0	0	0	112.5	G190 T191 V197 V198 Y225 I229	G190-S194 VanDerWaalsContact O-CB 3.29Å; G190-S194 WeakPolarHBondContact O-CB 3.45Å; G190-S194 PolarHBondContact O-N 2.66Å; G190-S194 PolarHBondContact O-OG 2.69Å; T191-S194 PolarHBondContact O-N 3.48Å; T191-S194 PolarHBondContact O-OG 2.61Å; T191-S194 VanDerWaalsContact O-OG 3.13Å; S194-V197 PolarHBondContact O-N 3.02Å; S194-V198 WeakPolarHBondContact O-CB 3.38Å; S194-V198 VanDerWaalsContact O-CG2 3.31Å; S194-V198 WeakPolarHBondContact O-CG2 3.24Å; S194-V198 PolarHBondContact O-N 3.24Å; S194-Y225 WeakPolarHBondContact O-CD2 3.37Å; S194-I229 WeakPolarHBondContact OG-CD1 3.28Å
195	A	86.5	Confident	88.2	Confident	7 Å²	7	37.3 Å²	37.3	6%	0.058	21%	0.211	C	C	.	.	H	α-helix	trans	-57.6	-52	170.9	0	0	0	0	0	112.1	T191 L192 L193 G199 Y225 L265	T191-A195 WeakPolarHBondContact O-CB 3.19Å; T191-A195 PolarHBondContact O-N 2.82Å; L192-A195 VanDerWaalsContact O-CB 3.31Å; L192-A195 WeakPolarHBondContact O-CB 3.33Å; L192-A195 PolarHBondContact O-N 2.9Å; L193-A195 VanDerWaalsContact C-N 3.27Å; L193-A195 PolarHBondContact O-N 3.32Å; A195-G199 PolarHBondContact O-N 3.38Å; A195-Y225 HydrophobicContact CB-CD1 3.63Å; A195-Y225 HydrophobicContact CB-CD2 4.2Å; A195-Y225 HydrophobicContact CB-CE1 3.22Å; A195-Y225 HydrophobicContact CB-CE2 3.79Å; A195-Y225 HydrophobicContact CB-CG 4.09Å; A195-L265 HydrophobicContact CB-CD2 4.11Å
196	L	87.1	Confident	87.9	Confident	99 Å²	99	35.3 Å²	35.3	52%	0.518	20%	0.198	S	C	.	.	H	α-helix	trans	-66.4	-42.8	-179.4	-63.1	175.1	0	0	0	110.9	L192 L193 T200	L192-L196 WeakPolarHBondContact O-CG 3.08Å; L192-L196 PolarHBondContact O-N 3.47Å; L193-L196 PolarHBondContact O-N 3.07Å; L196-T200 VanDerWaalsContact O-CB 3.3Å; L196-T200 WeakPolarHBondContact O-CB 3.29Å; L196-T200 WeakPolarHBondContact O-CG2 3.07Å; L196-T200 PolarHBondContact O-N 3.31Å; L196-T200 PolarHBondContact O-OG1 3.32Å
197	V	90.2	Very high	87.5	Confident	20 Å²	20	41.2 Å²	41.2	12%	0.121	22%	0.221	C	C	.	.	H	α-helix	trans	-67.2	-48.3	-179.2	175.8	0	0	0	0	111.6	L193 S194 T200 I201 I420 A421 V424	L193-V197 HydrophobicContact CD1-CG2 4.32Å; L193-V197 VanDerWaalsContact O-CG2 3.24Å; L193-V197 WeakPolarHBondContact O-CG2 3.48Å; L193-V197 PolarHBondContact O-N 2.91Å; S194-V197 PolarHBondContact O-N 3.02Å; V197-T200 PolarHBondContact O-N 3.23Å; V197-T200 PolarHBondContact O-OG1 3.23Å; V197-I201 HydrophobicContact CG1-CD1 3.58Å; V197-I201 HydrophobicContact CG1-CG1 4.34Å; V197-I201 WeakPolarHBondContact O-CB 3.27Å; V197-I201 VanDerWaalsContact O-CG1 3.26Å; V197-I201 WeakPolarHBondContact O-CG1 2.95Å; V197-I201 PolarHBondContact O-N 3.21Å; V197-I420 HydrophobicContact CG1-CG2 4.15Å; V197-A421 HydrophobicContact CB-CB 4.17Å; V197-A421 HydrophobicContact CG1-CB 3.89Å; V197-V424 HydrophobicContact CG2-CB 4.22Å; V197-V424 HydrophobicContact CG2-CG1 3.79Å
198	V	88.7	Confident	87	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.024	25%	0.253	C	S	.	.	H	α-helix	trans	-65.8	-44.1	179.8	175	0	0	0	0	110.8	S194 T200 C202 Y225 V228 S417 A421	S194-V198 WeakPolarHBondContact O-CB 3.38Å; S194-V198 VanDerWaalsContact O-CG2 3.31Å; S194-V198 WeakPolarHBondContact O-CG2 3.24Å; S194-V198 PolarHBondContact O-N 3.24Å; V198-T200 PolarHBondContact O-N 3.33Å; V198-C202 WeakPolarHBondContact O-CB 3.39Å; V198-C202 PolarHBondContact O-N 3.01Å; V198-Y225 HydrophobicContact CB-CD2 3.86Å; V198-Y225 HydrophobicContact CB-CG 4.34Å; V198-Y225 HydrophobicContact CG1-CD2 4.4Å; V198-Y225 HydrophobicContact CG2-CD2 4.04Å; V198-V228 HydrophobicContact CG2-CG1 4.46Å; V198-S417 WeakPolarHBondContact CA-OG 3.47Å; V198-A421 HydrophobicContact CG2-CB 3.35Å
199	G	86.6	Confident	86.6	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.01	25%	0.25	C	C	.	.	H	α-helix	trans	-58.9	-47.5	177.8	0	0	0	0	0	112.3	A195 Y203	A195-G199 PolarHBondContact O-N 3.38Å; G199-Y203 WeakPolarHBondContact O-CB 3.31Å; G199-Y203 PolarHBondContact O-N 3.29Å
200	T	88.4	Confident	85.8	Confident	90 Å²	90	47.8 Å²	47.8	55%	0.552	27%	0.272	S	S	*	.	H	α-helix	trans	-68.4	-45.6	-179.5	51.8	0	0	0	0	113	L196 V197 V198 G204	L196-T200 VanDerWaalsContact O-CB 3.3Å; L196-T200 WeakPolarHBondContact O-CB 3.29Å; L196-T200 WeakPolarHBondContact O-CG2 3.07Å; L196-T200 PolarHBondContact O-N 3.31Å; L196-T200 PolarHBondContact O-OG1 3.32Å; V197-T200 PolarHBondContact O-N 3.23Å; V197-T200 PolarHBondContact O-OG1 3.23Å; V198-T200 PolarHBondContact O-N 3.33Å; T200-G204 PolarHBondContact O-N 2.95Å
201	I	89.8	Confident	85	Confident	27 Å²	27	51.1 Å²	51.1	14%	0.138	29%	0.294	C	S	.	.	H	α-helix	trans	-64.3	-49	178.1	-68.2	176	0	0	0	110.2	V197 Y203 G204 F205 I420	V197-I201 HydrophobicContact CG1-CD1 3.58Å; V197-I201 HydrophobicContact CG1-CG1 4.34Å; V197-I201 WeakPolarHBondContact O-CB 3.27Å; V197-I201 VanDerWaalsContact O-CG1 3.26Å; V197-I201 WeakPolarHBondContact O-CG1 2.95Å; V197-I201 PolarHBondContact O-N 3.21Å; I201-Y203 VanDerWaalsContact C-N 3.32Å; I201-Y203 PolarHBondContact O-N 3.44Å; I201-G204 PolarHBondContact O-N 2.85Å; I201-F205 HydrophobicContact CG2-CD2 3.64Å; I201-F205 HydrophobicContact CG2-CE2 3.83Å; I201-F205 WeakPolarHBondContact O-CD2 3.3Å; I201-F205 PolarHBondContact O-N 3.02Å; I201-I420 HydrophobicContact CD1-CB 4.05Å; I201-I420 HydrophobicContact CD1-CD1 4.22Å; I201-I420 HydrophobicContact CD1-CG2 3.73Å
202	C	86.4	Confident	84	Confident	2 Å²	2	51 Å²	51	1%	0.014	29%	0.294	C	S	.	.	H	α-helix	trans	-59.7	-45.7	-179.7	-172.1	0	0	0	0	110.8	V198 T206 C221	V198-C202 WeakPolarHBondContact O-CB 3.39Å; V198-C202 PolarHBondContact O-N 3.01Å; C202-T206 WeakPolarHBondContact O-CB 3.33Å; C202-T206 PolarHBondContact O-N 3.44Å; C202-T206 PolarHBondContact O-OG1 2.84Å; C202-C221 HydrophobicContact CB-CB 4.38Å
203	Y	86.1	Confident	82.9	Confident	77 Å²	77	47.2 Å²	47.2	30%	0.302	28%	0.276	S	S	.	.	H	α-helix	trans	-63	-46	177	-175.9	-100.8	0	0	0	112.5	G199 I201 T206 R207 L218	G199-Y203 WeakPolarHBondContact O-CB 3.31Å; G199-Y203 PolarHBondContact O-N 3.29Å; I201-Y203 VanDerWaalsContact C-N 3.32Å; I201-Y203 PolarHBondContact O-N 3.44Å; Y203-T206 PolarHBondContact O-N 2.87Å; Y203-R207 HydrophobicContact CE1-CG 4.22Å; Y203-R207 WeakPolarHBondContact O-CG 3.34Å; Y203-R207 PolarHBondContact O-N 3.15Å; Y203-R207 VanDerWaalsContact O-N 3.1Å; Y203-R207 PolarHBondContact OH-NE 3.31Å; Y203-R207 PolarHBondContact OH-NH2 3.4Å; Y203-R207 VanDerWaalsContact OH-NH2 3.14Å; Y203-L218 HydrophobicContact CD1-CD1 4.46Å; Y203-L218 HydrophobicContact CD2-CB 4.09Å; Y203-L218 HydrophobicContact CD2-CD1 3.9Å; Y203-L218 HydrophobicContact CE2-CB 4Å; Y203-L218 HydrophobicContact CE2-CD1 4.44Å; Y203-L218 HydrophobicContact CG-CD1 3.89Å
204	G	87.4	Confident	81.6	Confident	45 Å²	45	52.6 Å²	52.6	46%	0.464	30%	0.299	S	S	.	.	H	α-helix	trans	-61.8	-48.9	-179.2	0	0	0	0	0	113.3	T200 I201 R207	T200-G204 PolarHBondContact O-N 2.95Å; I201-G204 PolarHBondContact O-N 2.85Å; G204-R207 PolarHBondContact O-N 3.06Å
205	F	86.9	Confident	80.7	Confident	107 Å²	107	55.3 Å²	55.3	47%	0.469	31%	0.313	S	S	.	.	H	α-helix	trans	-70.4	-33.9	178.9	-81.1	-81	0	0	0	112.7	I201 R207 G208 I413 F416	I201-F205 HydrophobicContact CG2-CD2 3.64Å; I201-F205 HydrophobicContact CG2-CE2 3.83Å; I201-F205 WeakPolarHBondContact O-CD2 3.3Å; I201-F205 PolarHBondContact O-N 3.02Å; F205-R207 VanDerWaalsContact C-N 3.32Å; F205-R207 PolarHBondContact O-N 3.18Å; F205-G208 PolarHBondContact O-N 3.34Å; F205-I413 HydrophobicContact CB-CD1 3.95Å; F205-I413 HydrophobicContact CB-CG1 4.13Å; F205-I413 HydrophobicContact CB-CG2 3.82Å; F205-I413 HydrophobicContact CG-CG2 4.39Å; F205-F416 HydrophobicContact CE2-CE1 4.36Å; F205-F416 HydrophobicContact CZ-CE1 4.32Å
206	T	83.5	Confident	80	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.018	31%	0.311	C	S	.	.	H	α-helix	trans	-66	-35.3	177.9	-62.6	0	0	0	0	111.8	C202 Y203 G208 I209 L212 L216	C202-T206 WeakPolarHBondContact O-CB 3.33Å; C202-T206 PolarHBondContact O-N 3.44Å; C202-T206 PolarHBondContact O-OG1 2.84Å; Y203-T206 PolarHBondContact O-N 2.87Å; T206-G208 VanDerWaalsContact C-N 3.26Å; T206-G208 PolarHBondContact O-N 3.45Å; T206-I209 PolarHBondContact O-N 2.89Å; T206-I209 VanDerWaalsContact O-N 3.12Å; T206-L212 HydrophobicContact CG2-CB 3.69Å; T206-L216 HydrophobicContact CG2-CB 4.01Å; T206-L216 HydrophobicContact CG2-CD1 3.54Å; T206-L216 HydrophobicContact CG2-CG 4.34Å
207	R	81.3	Confident	79.4	Confident	132 Å²	132	56.3 Å²	56.3	50%	0.498	31%	0.314	S	S	.	.	H	α-helix	trans	-63	-29.8	174.3	-76	-71.5	-179.2	173.5	-3.8	113.5	Y203 G204 F205 I209 S213	Y203-R207 HydrophobicContact CE1-CG 4.22Å; Y203-R207 WeakPolarHBondContact O-CG 3.34Å; Y203-R207 PolarHBondContact O-N 3.15Å; Y203-R207 VanDerWaalsContact O-N 3.1Å; Y203-R207 PolarHBondContact OH-NE 3.31Å; Y203-R207 PolarHBondContact OH-NH2 3.4Å; Y203-R207 VanDerWaalsContact OH-NH2 3.14Å; G204-R207 PolarHBondContact O-N 3.06Å; F205-R207 VanDerWaalsContact C-N 3.32Å; F205-R207 PolarHBondContact O-N 3.18Å; R207-I209 PolarHBondContact O-N 2.88Å; R207-S213 WeakPolarHBondContact CD-OG 3.44Å; R207-S213 PolarHBondContact NH1-OG 3.08Å
208	G	78.3	Confident	78.7	Confident	67 Å²	67	59.4 Å²	59.4	69%	0.691	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-15.1	175.1	0	0	0	0	0	114.2	F205 T206	F205-G208 PolarHBondContact O-N 3.34Å; T206-G208 VanDerWaalsContact C-N 3.26Å; T206-G208 PolarHBondContact O-N 3.45Å
209	I	79.6	Confident	78	Confident	29 Å²	29	61.9 Å²	61.9	15%	0.149	35%	0.346	C	S	.	.	S	Bend	trans	-109.7	104.8	-178.3	-55	172.3	0	0	0	109	T206 R207 S211 L212 S213 R409 I413	T206-I209 PolarHBondContact O-N 2.89Å; T206-I209 VanDerWaalsContact O-N 3.12Å; R207-I209 PolarHBondContact O-N 2.88Å; I209-S211 PolarHBondContact O-N 2.97Å; I209-L212 HydrophobicContact CB-CD1 4.36Å; I209-L212 HydrophobicContact CG2-CD1 3.62Å; I209-L212 PolarHBondContact O-N 2.98Å; I209-S213 PolarHBondContact O-N 3.39Å; I209-R409 HydrophobicContact CD1-CB 4.23Å; I209-I413 HydrophobicContact CD1-CD1 3.83Å
210	T	72.5	Confident	77.7	Confident	118 Å²	118	63.2 Å²	63.2	72%	0.724	35%	0.353	S	S	*	.	H	α-helix	trans	-50.8	-38.5	-174.7	-40.1	0	0	0	0	113.6	L212	T210-L212 PolarHBondContact O-N 3.45Å
211	S	71.9	Confident	77.3	Confident	75 Å²	75	59 Å²	59	52%	0.524	33%	0.327	S	S	.	.	H	α-helix	trans	-68.4	-29.1	-179.5	169.8	0	0	0	0	114.2	I209	I209-S211 PolarHBondContact O-N 2.97Å
212	L	68.4	Low	76.7	Confident	4 Å²	4	59.9 Å²	59.9	2%	0.021	33%	0.332	C	S	.	.	H	α-helix	trans	-99.4	-26.5	-176.7	-77.8	80.9	0	0	0	112	T206 I209 T210 Q214 I215 L216 N407 F410 M531	T206-L212 HydrophobicContact CG2-CB 3.69Å; I209-L212 HydrophobicContact CB-CD1 4.36Å; I209-L212 HydrophobicContact CG2-CD1 3.62Å; I209-L212 PolarHBondContact O-N 2.98Å; T210-L212 PolarHBondContact O-N 3.45Å; L212-Q214 PolarHBondContact O-N 3.34Å; L212-I215 PolarHBondContact O-N 3.08Å; L212-I215 VanDerWaalsContact O-N 3.12Å; L212-L216 HydrophobicContact CB-CD1 4.36Å; L212-L216 HydrophobicContact CD2-CD1 4.14Å; L212-L216 PolarHBondContact O-N 3.49Å; L212-L216 VanDerWaalsContact O-N 3.17Å; L212-N407 VanDerWaalsContact CD1-ND2 3.31Å; L212-N407 WeakPolarHBondContact CD1-ND2 3.46Å; L212-F410 HydrophobicContact CD2-CB 4.1Å; L212-F410 HydrophobicContact CD2-CD2 4Å; L212-F410 HydrophobicContact CD2-CG 4.36Å; L212-M531 HydrophobicContact CD2-CE 4.37Å; L212-M531 HydrophobicContact CD2-SD 4.41Å
213	S	64.7	Low	76.3	Confident	25 Å²	25	60.3 Å²	60.3	18%	0.175	33%	0.334	C	S	.	.	H	α-helix	trans	-59.7	-26.1	-179.4	178.7	0	0	0	0	114	R207 I209	R207-S213 WeakPolarHBondContact CD-OG 3.44Å; R207-S213 PolarHBondContact NH1-OG 3.08Å; I209-S213 PolarHBondContact O-N 3.39Å
214	Q	61.1	Low	76.2	Confident	168 Å²	168	56.8 Å²	56.8	79%	0.785	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-21.9	-179.8	-67	-174.6	-54.7	0	0	112.8	L212	L212-Q214 PolarHBondContact O-N 3.34Å
215	I	69.6	Low	75.9	Confident	62 Å²	62	54.7 Å²	54.7	32%	0.318	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-38.4	-171.4	-60.5	172.3	0	0	0	110.9	L212 I528	L212-I215 PolarHBondContact O-N 3.08Å; L212-I215 VanDerWaalsContact O-N 3.12Å; I215-I528 HydrophobicContact CG2-CD1 3.63Å; I215-I528 HydrophobicContact CG2-CG1 3.44Å; I215-I528 VanDerWaalsContact CG2-CG1 3.44Å; I215-I528 WeakPolarHBondContact O-CD1 3.22Å
216	L	71.7	Confident	75.7	Confident	4 Å²	4	49.8 Å²	49.8	2%	0.021	28%	0.277	C	S	.	.			trans	-96.3	117.7	-169.8	-69.2	171.4	0	0	0	112.6	T206 L212 D220 F410 I528 F532	T206-L216 HydrophobicContact CG2-CB 4.01Å; T206-L216 HydrophobicContact CG2-CD1 3.54Å; T206-L216 HydrophobicContact CG2-CG 4.34Å; L212-L216 HydrophobicContact CB-CD1 4.36Å; L212-L216 HydrophobicContact CD2-CD1 4.14Å; L212-L216 PolarHBondContact O-N 3.49Å; L212-L216 VanDerWaalsContact O-N 3.17Å; L216-D220 HydrophobicContact CD2-CB 4.11Å; L216-F410 HydrophobicContact CD1-CD2 4.43Å; L216-F410 HydrophobicContact CD1-CE2 4.04Å; L216-I528 HydrophobicContact CD2-CB 4.45Å; L216-I528 HydrophobicContact CD2-CD1 4.33Å; L216-I528 HydrophobicContact CD2-CG1 4.14Å; L216-I528 HydrophobicContact CD2-CG2 3.57Å; L216-F532 HydrophobicContact CD2-CE1 4.04Å; L216-F532 HydrophobicContact CD2-CZ 4.04Å
217	H	75.5	Confident	75.7	Confident	123 Å²	123	50 Å²	50	57%	0.569	28%	0.278	S	S	*	.			trans	-84.6	163.1	170.4	-76.3	-124.4	0	0	0	111.5	S219 D220 C221	H217-S219 PolarHBondContact O-N 3.17Å; H217-D220 PolarHBondContact N-OD2 3.04Å; H217-D220 WeakPolarHBondContact O-CB 3.35Å; H217-D220 PolarHBondContact O-N 3.38Å; H217-C221 PolarHBondContact O-N 2.74Å; H217-C221 VanDerWaalsContact O-N 3.07Å
218	L	74	Confident	75.6	Confident	85 Å²	85	43.8 Å²	43.8	45%	0.445	26%	0.255	S	S	.	.	H	α-helix	trans	-59.1	-36.8	176.2	178.7	65.3	0	0	0	111.9	Y203 D220 C221 L222	Y203-L218 HydrophobicContact CD1-CD1 4.46Å; Y203-L218 HydrophobicContact CD2-CB 4.09Å; Y203-L218 HydrophobicContact CD2-CD1 3.9Å; Y203-L218 HydrophobicContact CE2-CB 4Å; Y203-L218 HydrophobicContact CE2-CD1 4.44Å; Y203-L218 HydrophobicContact CG-CD1 3.89Å; L218-D220 VanDerWaalsContact C-N 3.29Å; L218-D220 PolarHBondContact O-N 3.28Å; L218-C221 PolarHBondContact O-N 3.49Å; L218-L222 HydrophobicContact CG-CD1 4.22Å; L218-L222 WeakPolarHBondContact O-CG 3.11Å; L218-L222 PolarHBondContact O-N 3.01Å
219	S	73.7	Confident	75.5	Confident	55 Å²	55	40.7 Å²	40.7	39%	0.385	22%	0.222	S	C	.	.	H	α-helix	trans	-58.3	-40.3	173.7	49.3	0	0	0	0	112	H217 L222 L223	H217-S219 PolarHBondContact O-N 3.17Å; S219-L222 PolarHBondContact O-N 3.18Å; S219-L223 WeakPolarHBondContact O-CB 3.48Å; S219-L223 PolarHBondContact O-N 3.31Å
220	D	80.5	Confident	75.3	Confident	30 Å²	30	39.3 Å²	39.3	16%	0.16	22%	0.215	C	C	.	.	H	α-helix	trans	-69.6	-39.3	178.2	-54.9	-35.6	0	0	0	111	L216 H217 L218 L222 L223 I224 I528 F532	L216-D220 HydrophobicContact CD2-CB 4.11Å; H217-D220 PolarHBondContact N-OD2 3.04Å; H217-D220 WeakPolarHBondContact O-CB 3.35Å; H217-D220 PolarHBondContact O-N 3.38Å; L218-D220 VanDerWaalsContact C-N 3.29Å; L218-D220 PolarHBondContact O-N 3.28Å; D220-L222 VanDerWaalsContact C-N 3.32Å; D220-L222 PolarHBondContact O-N 3.04Å; D220-L223 WeakPolarHBondContact O-CB 3.19Å; D220-L223 PolarHBondContact O-N 3.1Å; D220-I224 PolarHBondContact O-N 2.8Å; D220-I528 HydrophobicContact CB-CG2 4.39Å; D220-F532 HydrophobicContact CB-CE2 4.48Å; D220-F532 HydrophobicContact CB-CZ 4.08Å; D220-F532 WeakPolarHBondContact O-CZ 3.35Å
221	C	79.5	Confident	75.2	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.007	18%	0.181	C	C	.	.	H	α-helix	trans	-64.4	-34.5	173.4	-66.7	0	0	0	0	112.6	C202 H217 L218 I224	C202-C221 HydrophobicContact CB-CB 4.38Å; H217-C221 PolarHBondContact O-N 2.74Å; H217-C221 VanDerWaalsContact O-N 3.07Å; L218-C221 PolarHBondContact O-N 3.49Å; C221-I224 WeakPolarHBondContact O-CG2 3.46Å
222	L	78.6	Confident	74.8	Confident	45 Å²	45	31.8 Å²	31.8	24%	0.236	17%	0.166	C	C	.	.	H	α-helix	trans	-75.9	-29.5	172.5	-71.6	170	0	0	0	112	L218 S219 D220 Y225 I269	L218-L222 HydrophobicContact CG-CD1 4.22Å; L218-L222 WeakPolarHBondContact O-CG 3.11Å; L218-L222 PolarHBondContact O-N 3.01Å; S219-L222 PolarHBondContact O-N 3.18Å; D220-L222 VanDerWaalsContact C-N 3.32Å; D220-L222 PolarHBondContact O-N 3.04Å; L222-Y225 VanDerWaalsContact O-CB 3.31Å; L222-Y225 WeakPolarHBondContact O-CB 3.38Å; L222-Y225 PolarHBondContact O-N 3.35Å; L222-I269 HydrophobicContact CB-CD1 4.42Å
223	L	78	Confident	74.3	Confident	12 Å²	12	31.6 Å²	31.6	6%	0.063	17%	0.165	C	C	.	.	H	α-helix	trans	-71.2	-38.2	174.7	-103	167.7	0	0	0	112.4	S219 D220 Y225 H226 E270	S219-L223 WeakPolarHBondContact O-CB 3.48Å; S219-L223 PolarHBondContact O-N 3.31Å; D220-L223 WeakPolarHBondContact O-CB 3.19Å; D220-L223 PolarHBondContact O-N 3.1Å; L223-Y225 PolarHBondContact O-N 3.5Å; L223-H226 WeakPolarHBondContact O-CB 3.29Å; L223-H226 PolarHBondContact O-N 3.31Å; L223-H226 VanDerWaalsContact O-N 3.13Å; L223-E270 HydrophobicContact CD1-CG 4.49Å; L223-E270 HydrophobicContact CD2-CG 4.3Å
224	I	82.6	Confident	74	Confident	2 Å²	2	30.5 Å²	30.5	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-63.3	-32.4	173.7	-173.2	164.7	0	0	0	111.3	D220 C221 H226 F227 V228 F410 F532	D220-I224 PolarHBondContact O-N 2.8Å; C221-I224 WeakPolarHBondContact O-CG2 3.46Å; I224-H226 PolarHBondContact O-N 3.46Å; I224-F227 PolarHBondContact O-N 3.46Å; I224-F227 VanDerWaalsContact O-N 3.15Å; I224-V228 HydrophobicContact CG1-CG2 3.93Å; I224-V228 WeakPolarHBondContact O-CG2 3.27Å; I224-V228 PolarHBondContact O-N 2.87Å; I224-F410 HydrophobicContact CD1-CE1 3.3Å; I224-F410 HydrophobicContact CD1-CE2 4.49Å; I224-F410 HydrophobicContact CD1-CZ 3.25Å; I224-F532 HydrophobicContact CB-CD1 4.29Å; I224-F532 HydrophobicContact CB-CD2 4.36Å; I224-F532 HydrophobicContact CB-CE1 4.08Å; I224-F532 HydrophobicContact CB-CE2 4.14Å; I224-F532 HydrophobicContact CB-CG 4.42Å; I224-F532 HydrophobicContact CB-CZ 3.99Å; I224-F532 HydrophobicContact CD1-CD1 3.78Å; I224-F532 HydrophobicContact CD1-CE1 4.06Å; I224-F532 HydrophobicContact CD1-CG 4.3Å; I224-F532 HydrophobicContact CG1-CD1 4.35Å; I224-F532 HydrophobicContact CG1-CG 4.49Å
225	Y	82	Confident	74.2	Confident	1 Å²	1	23.2 Å²	23.2	0%	0.004	12%	0.124	C	C	.	.	H	α-helix	trans	-56.3	-40.2	174.4	153.3	-94.8	0	0	0	112	T191 S194 A195 V198 L222 L223 F227 V228 I229 L265	T191-Y225 VanDerWaalsContact C-OH 3.27Å; T191-Y225 WeakPolarHBondContact CA-OH 3.16Å; T191-Y225 WeakPolarHBondContact CG2-OH 3.29Å; T191-Y225 PolarHBondContact O-OH 2.93Å; S194-Y225 WeakPolarHBondContact O-CD2 3.37Å; A195-Y225 HydrophobicContact CB-CD1 3.63Å; A195-Y225 HydrophobicContact CB-CD2 4.2Å; A195-Y225 HydrophobicContact CB-CE1 3.22Å; A195-Y225 HydrophobicContact CB-CE2 3.79Å; A195-Y225 HydrophobicContact CB-CG 4.09Å; V198-Y225 HydrophobicContact CB-CD2 3.86Å; V198-Y225 HydrophobicContact CB-CG 4.34Å; V198-Y225 HydrophobicContact CG1-CD2 4.4Å; V198-Y225 HydrophobicContact CG2-CD2 4.04Å; L222-Y225 VanDerWaalsContact O-CB 3.31Å; L222-Y225 WeakPolarHBondContact O-CB 3.38Å; L222-Y225 PolarHBondContact O-N 3.35Å; L223-Y225 PolarHBondContact O-N 3.5Å; Y225-F227 VanDerWaalsContact C-N 3.33Å; Y225-F227 PolarHBondContact O-N 2.85Å; Y225-V228 CarbonylContact O-C 3.59Å; Y225-V228 PolarHBondContact O-N 2.91Å; Y225-V228 VanDerWaalsContact O-N 3.15Å; Y225-I229 HydrophobicContact CD2-CB 4.15Å; Y225-I229 HydrophobicContact CE1-CG2 4.2Å; Y225-I229 HydrophobicContact CE2-CB 3.52Å; Y225-I229 HydrophobicContact CE2-CD1 3.65Å; Y225-I229 HydrophobicContact CE2-CG1 4.01Å; Y225-I229 HydrophobicContact CE2-CG2 3.97Å; Y225-I229 WeakPolarHBondContact O-CG2 3.37Å; Y225-I229 PolarHBondContact O-N 2.81Å; Y225-I229 WeakPolarHBondContact OH-CD1 3.3Å; Y225-L265 HydrophobicContact CE1-CD2 3.7Å
226	H	82.9	Confident	74	Confident	5 Å²	5	21 Å²	21	2%	0.023	12%	0.115	C	C	.	.	H	α-helix	trans	-55.2	-47.2	176.2	160.6	-114.2	0	0	0	112.2	L223 I224 I229 V230 A262 I263 A266	L223-H226 WeakPolarHBondContact O-CB 3.29Å; L223-H226 PolarHBondContact O-N 3.31Å; L223-H226 VanDerWaalsContact O-N 3.13Å; I224-H226 PolarHBondContact O-N 3.46Å; H226-I229 WeakPolarHBondContact O-CG2 3.07Å; H226-V230 WeakPolarHBondContact O-CG2 3.42Å; H226-A262 PolarHBondContact CD2-O 2.91Å; H226-I263 WeakPolarHBondContact NE2-CA 3.13Å; H226-A266 HydrophobicContact CB-CB 3.76Å; H226-A266 WeakPolarHBondContact CD2-CB 3.17Å
227	F	83.8	Confident	73.9	Confident	6 Å²	6	21 Å²	21	3%	0.026	12%	0.115	C	C	.	.	H	α-helix	trans	-70	-39.6	177.5	-55.3	-59.1	0	0	0	111.6	I224 Y225 A516 L519 A520 F532 I536	I224-F227 PolarHBondContact O-N 3.46Å; I224-F227 VanDerWaalsContact O-N 3.15Å; Y225-F227 VanDerWaalsContact C-N 3.33Å; Y225-F227 PolarHBondContact O-N 2.85Å; F227-A516 WeakPolarHBondContact O-CB 3.44Å; F227-L519 HydrophobicContact CD1-CB 3.67Å; F227-L519 HydrophobicContact CE1-CB 3.71Å; F227-L519 VanDerWaalsContact CE1-O 3.28Å; F227-L519 WeakPolarHBondContact CE1-O 3.34Å; F227-A520 HydrophobicContact CD1-CB 4.15Å; F227-A520 HydrophobicContact CE1-CB 4.42Å; F227-A520 HydrophobicContact CG-CB 4.37Å; F227-F532 HydrophobicContact CD2-CD2 4.45Å; F227-F532 HydrophobicContact CE2-CD2 4.15Å; F227-I536 HydrophobicContact CB-CD1 3.6Å; F227-I536 HydrophobicContact CB-CG1 3.83Å
228	V	78.1	Confident	73.8	Confident	2 Å²	2	15.2 Å²	15.2	1%	0.012	9%	0.088	C	C	.	.	H	α-helix	trans	-59.7	-51.8	178.3	169.8	0	0	0	0	107.9	V198 I224 Y225 V230 C418 R512 I536	V198-V228 HydrophobicContact CG2-CG1 4.46Å; I224-V228 HydrophobicContact CG1-CG2 3.93Å; I224-V228 WeakPolarHBondContact O-CG2 3.27Å; I224-V228 PolarHBondContact O-N 2.87Å; Y225-V228 CarbonylContact O-C 3.59Å; Y225-V228 PolarHBondContact O-N 2.91Å; Y225-V228 VanDerWaalsContact O-N 3.15Å; V228-V230 VanDerWaalsContact C-N 3.33Å; V228-V230 PolarHBondContact O-N 3.27Å; V228-C418 HydrophobicContact CG1-CB 3.89Å; V228-R512 VanDerWaalsContact C-CZ 3.48Å; V228-R512 WeakPolarHBondContact O-CD 3.47Å; V228-R512 PolarHBondContact O-NE 3.38Å; V228-R512 PolarHBondContact O-NH1 3.39Å; V228-R512 PolarHBondContact O-NH2 3.1Å; V228-R512 VanDerWaalsContact O-NH2 3.08Å; V228-I536 HydrophobicContact CG2-CD1 4.14Å
229	I	76.1	Confident	73.5	Confident	2 Å²	2	14.4 Å²	14.4	1%	0.01	9%	0.089	C	C	.	.	H	α-helix	trans	-66.1	-23.4	-167.4	-166.3	171.5	0	0	0	116.7	T191 S194 Y225 H226 N258 A262 R422 R512	T191-I229 VanDerWaalsContact CA-CD1 3.4Å; T191-I229 HydrophobicContact CG2-CD1 3.84Å; S194-I229 WeakPolarHBondContact OG-CD1 3.28Å; Y225-I229 HydrophobicContact CD2-CB 4.15Å; Y225-I229 HydrophobicContact CE1-CG2 4.2Å; Y225-I229 HydrophobicContact CE2-CB 3.52Å; Y225-I229 HydrophobicContact CE2-CD1 3.65Å; Y225-I229 HydrophobicContact CE2-CG1 4.01Å; Y225-I229 HydrophobicContact CE2-CG2 3.97Å; Y225-I229 WeakPolarHBondContact O-CG2 3.37Å; Y225-I229 PolarHBondContact O-N 2.81Å; Y225-I229 WeakPolarHBondContact OH-CD1 3.3Å; H226-I229 WeakPolarHBondContact O-CG2 3.07Å; I229-N258 WeakPolarHBondContact CD1-OD1 3.47Å; I229-N258 WeakPolarHBondContact CG1-ND2 3.44Å; I229-N258 WeakPolarHBondContact CG1-OD1 3.19Å; I229-N258 PolarHBondContact O-ND2 3.4Å; I229-A262 HydrophobicContact CG2-CB 3.43Å; I229-A262 VanDerWaalsContact CG2-CB 3.43Å; I229-R422 PolarHBondContact O-NH2 3.23Å; I229-R422 VanDerWaalsContact O-NH2 3.16Å; I229-R512 VanDerWaalsContact CA-NH1 3.28Å; I229-R512 PolarHBondContact O-NH1 2.94Å
230	V	76.2	Confident	73.3	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.097	C	C	.	.			trans	-61.9	138.5	-179.3	171.1	0	0	0	0	112	H226 V228 D259 A262 R512 M515 A516 L519	H226-V230 WeakPolarHBondContact O-CG2 3.42Å; V228-V230 VanDerWaalsContact C-N 3.33Å; V228-V230 PolarHBondContact O-N 3.27Å; V230-D259 VanDerWaalsContact CA-OD1 3.24Å; V230-D259 WeakPolarHBondContact CA-OD1 3.5Å; V230-D259 WeakPolarHBondContact CG1-OD1 3.41Å; V230-A262 HydrophobicContact CG2-CB 3.66Å; V230-R512 WeakPolarHBondContact O-CD 3.47Å; V230-R512 PolarHBondContact O-NH1 3.34Å; V230-M515 HydrophobicContact CG1-CB 3.1Å; V230-M515 HydrophobicContact CG1-CG 4.37Å; V230-A516 HydrophobicContact CB-CB 4.15Å; V230-A516 HydrophobicContact CG1-CB 4.21Å; V230-A516 VanDerWaalsContact CG1-N 3.3Å; V230-L519 HydrophobicContact CG2-CD1 3.85Å
231	L	70.7	Confident	72.9	Confident	1 Å²	1	17.2 Å²	17.2	1%	0.005	10%	0.1	C	C	.	.			trans	-148.2	136	-169.2	-72.9	-174	0	0	0	114.7	D259 R422 G510 L511 R512	L231-D259 PolarHBondContact N-OD1 2.88Å; L231-R422 VanDerWaalsContact CG-NH2 3.25Å; L231-G510 WeakPolarHBondContact CD2-O 3.33Å; L231-L511 VanDerWaalsContact CD2-O 3.29Å; L231-L511 WeakPolarHBondContact CD2-O 3.46Å; L231-R512 HydrophobicContact CD2-CG 4.46Å; L231-R512 VanDerWaalsContact CG-NH1 3.32Å
232	V	62.4	Low	72.5	Confident	34 Å²	34	22.6 Å²	22.6	21%	0.206	12%	0.123	C	C	.	.			trans	-148.6	-22.7	170.6	-177.2	0	0	0	0	115.7	V234 L235 D259 M515	V232-V234 PolarHBondContact O-N 3.27Å; V232-L235 PolarHBondContact O-N 2.95Å; V232-D259 VanDerWaalsContact CG2-OD2 3.27Å; V232-D259 WeakPolarHBondContact CG2-OD2 3.47Å; V232-M515 HydrophobicContact CG2-CG 4.12Å
233	T	58.3	Low	72.5	Confident	1 Å²	1	20.9 Å²	20.9	1%	0.006	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-29.4	-155.3	-50.1	0	0	0	0	117.3	L235 F391 R512 G513 V544	T233-L235 VanDerWaalsContact C-N 3.31Å; T233-L235 PolarHBondContact O-N 3.3Å; T233-F391 HydrophobicContact CG2-CE1 4.42Å; T233-F391 HydrophobicContact CG2-CZ 4.08Å; T233-R512 VanDerWaalsContact OG1-C 3.27Å; T233-R512 PolarHBondContact OG1-O 2.93Å; T233-G513 VanDerWaalsContact OG1-CA 3.26Å; T233-G513 WeakPolarHBondContact OG1-CA 3.49Å; T233-V544 HydrophobicContact CG2-CB 4.31Å; T233-V544 HydrophobicContact CG2-CG1 4.19Å; T233-V544 HydrophobicContact CG2-CG2 3.82Å
234	V	58.3	Low	72.6	Confident	2 Å²	2	22.2 Å²	22.2	1%	0.012	12%	0.122	C	C	.	.	H	α-helix	trans	-80.7	-17	-171.2	-172	0	0	0	0	112.8	V232 A236 I237 F238 S509 L511	V232-V234 PolarHBondContact O-N 3.27Å; V234-A236 PolarHBondContact O-N 3.34Å; V234-I237 HydrophobicContact CG1-CD1 4.5Å; V234-I237 WeakPolarHBondContact O-CB 3.21Å; V234-I237 PolarHBondContact O-N 3.42Å; V234-F238 HydrophobicContact CG1-CD1 3.84Å; V234-F238 HydrophobicContact CG1-CE1 3.27Å; V234-F238 HydrophobicContact CG1-CE2 4.09Å; V234-F238 HydrophobicContact CG1-CG 4.43Å; V234-F238 HydrophobicContact CG1-CZ 3.42Å; V234-F238 VanDerWaalsContact CG1-CZ 3.42Å; V234-F238 PolarHBondContact O-N 3.47Å; V234-F238 VanDerWaalsContact O-N 3.08Å; V234-S509 WeakPolarHBondContact CG2-O 3.41Å; V234-L511 HydrophobicContact CG2-CB 3.57Å; V234-L511 HydrophobicContact CG2-CD1 3.35Å; V234-L511 HydrophobicContact CG2-CG 3.84Å
235	L	66.6	Low	72.5	Confident	15 Å²	15	23.3 Å²	23.3	8%	0.079	13%	0.128	C	C	.	.	H	α-helix	trans	-67.5	-37	-174.4	-64.9	169.4	0	0	0	112.6	V232 T233 I237 F238 S239 V251 F252	V232-L235 PolarHBondContact O-N 2.95Å; T233-L235 VanDerWaalsContact C-N 3.31Å; T233-L235 PolarHBondContact O-N 3.3Å; L235-I237 VanDerWaalsContact C-N 3.34Å; L235-I237 PolarHBondContact O-N 3.12Å; L235-F238 PolarHBondContact O-N 3.44Å; L235-S239 PolarHBondContact O-N 3.44Å; L235-V251 HydrophobicContact CD2-CB 4.45Å; L235-V251 HydrophobicContact CD2-CG1 3.87Å; L235-F252 HydrophobicContact CD1-CD2 3.94Å; L235-F252 HydrophobicContact CD2-CB 3.94Å; L235-F252 HydrophobicContact CD2-CD2 4.35Å
236	A	65.5	Low	72.6	Confident	16 Å²	16	26.1 Å²	26.1	13%	0.132	14%	0.143	C	C	.	.	H	α-helix	trans	-60.8	-44.4	173.6	0	0	0	0	0	111.6	V234 F238 S239 D240 E387	V234-A236 PolarHBondContact O-N 3.34Å; A236-F238 VanDerWaalsContact C-N 3.26Å; A236-F238 PolarHBondContact O-N 3.4Å; A236-S239 WeakPolarHBondContact O-CB 3.28Å; A236-S239 PolarHBondContact O-N 3.38Å; A236-D240 PolarHBondContact O-N 3.33Å; A236-D240 VanDerWaalsContact O-N 3.09Å; A236-E387 WeakPolarHBondContact CB-OE1 3.44Å
237	I	68.6	Low	72.7	Confident	3 Å²	3	26 Å²	26	2%	0.015	14%	0.143	C	C	.	.	H	α-helix	trans	-59.6	-39.7	176.4	-51.8	168.5	0	0	0	110.8	H62 V234 L235 L241 A551 I552	H62-I237 VanDerWaalsContact CD2-CG1 3.41Å; H62-I237 WeakPolarHBondContact CD2-CG1 3.29Å; H62-I237 VanDerWaalsContact NE2-CG1 3.27Å; H62-I237 WeakPolarHBondContact NE2-CG1 3.26Å; V234-I237 HydrophobicContact CG1-CD1 4.5Å; V234-I237 WeakPolarHBondContact O-CB 3.21Å; V234-I237 PolarHBondContact O-N 3.42Å; L235-I237 VanDerWaalsContact C-N 3.34Å; L235-I237 PolarHBondContact O-N 3.12Å; I237-L241 HydrophobicContact CG2-CD1 3.69Å; I237-L241 HydrophobicContact CG2-CG 4.47Å; I237-L241 WeakPolarHBondContact O-CB 3.24Å; I237-L241 VanDerWaalsContact O-CG 3.29Å; I237-L241 WeakPolarHBondContact O-CG 3.46Å; I237-L241 PolarHBondContact O-N 2.89Å; I237-L241 VanDerWaalsContact O-N 3.14Å; I237-A551 HydrophobicContact CD1-CB 3.66Å; I237-A551 HydrophobicContact CG2-CB 3.99Å; I237-I552 HydrophobicContact CG2-CG1 4.46Å
238	F	73	Confident	72.7	Confident	1 Å²	1	28 Å²	28	0%	0.004	15%	0.151	C	C	.	.	H	α-helix	trans	-72.8	-34.9	-179.6	-71.4	1.3	0	0	0	113.1	V234 L235 A236 K242 V243 Y248 V251 M505 L555	V234-F238 HydrophobicContact CG1-CD1 3.84Å; V234-F238 HydrophobicContact CG1-CE1 3.27Å; V234-F238 HydrophobicContact CG1-CE2 4.09Å; V234-F238 HydrophobicContact CG1-CG 4.43Å; V234-F238 HydrophobicContact CG1-CZ 3.42Å; V234-F238 VanDerWaalsContact CG1-CZ 3.42Å; V234-F238 PolarHBondContact O-N 3.47Å; V234-F238 VanDerWaalsContact O-N 3.08Å; L235-F238 PolarHBondContact O-N 3.44Å; A236-F238 VanDerWaalsContact C-N 3.26Å; A236-F238 PolarHBondContact O-N 3.4Å; F238-K242 PolarHBondContact O-N 3.35Å; F238-V243 HydrophobicContact CB-CG2 4.27Å; F238-V243 HydrophobicContact CD1-CG2 4.19Å; F238-V243 HydrophobicContact CG-CG2 4.29Å; F238-Y248 HydrophobicContact CB-CD2 3.87Å; F238-Y248 HydrophobicContact CB-CE2 4.33Å; F238-V251 HydrophobicContact CE2-CB 4.32Å; F238-V251 HydrophobicContact CE2-CG1 4.06Å; F238-V251 HydrophobicContact CE2-CG2 4.28Å; F238-M505 HydrophobicContact CD1-CE 4.37Å; F238-M505 HydrophobicContact CE1-CE 3.12Å; F238-M505 HydrophobicContact CZ-CE 3.23Å; F238-M505 HydrophobicContact CZ-CG 4.02Å; F238-M505 HydrophobicContact CZ-SD 4.49Å; F238-L555 HydrophobicContact CE1-CD1 4.47Å
239	S	69.2	Low	72.9	Confident	68 Å²	68	28 Å²	28	48%	0.476	15%	0.151	S	C	.	.	H	α-helix	trans	-60.2	-48	173.8	-171.4	0	0	0	0	110.3	L235 A236 L241 K242	L235-S239 PolarHBondContact O-N 3.44Å; A236-S239 WeakPolarHBondContact O-CB 3.28Å; A236-S239 PolarHBondContact O-N 3.38Å; S239-L241 PolarHBondContact O-N 3.04Å; S239-K242 PolarHBondContact O-N 3.06Å
240	D	69.3	Low	73.4	Confident	103 Å²	103	28.5 Å²	28.5	55%	0.551	15%	0.154	S	C	*	.	H	α-helix	trans	-67	-38.3	-178.3	-75.9	-8.3	0	0	0	113.5	A236 K242	A236-D240 PolarHBondContact O-N 3.33Å; A236-D240 VanDerWaalsContact O-N 3.09Å; D240-K242 VanDerWaalsContact C-N 3.31Å; D240-K242 PolarHBondContact O-N 3.24Å
241	L	71.3	Confident	73.9	Confident	42 Å²	42	28.6 Å²	28.6	22%	0.22	15%	0.154	C	C	.	.	H	α-helix	trans	-83.2	-3.8	-177.1	-66.7	172.2	0	0	0	114	I237 S239 V243 I552 L555 G563	I237-L241 HydrophobicContact CG2-CD1 3.69Å; I237-L241 HydrophobicContact CG2-CG 4.47Å; I237-L241 WeakPolarHBondContact O-CB 3.24Å; I237-L241 VanDerWaalsContact O-CG 3.29Å; I237-L241 WeakPolarHBondContact O-CG 3.46Å; I237-L241 PolarHBondContact O-N 2.89Å; I237-L241 VanDerWaalsContact O-N 3.14Å; S239-L241 PolarHBondContact O-N 3.04Å; L241-V243 HydrophobicContact CB-CG2 4.09Å; L241-V243 PolarHBondContact O-N 2.84Å; L241-I552 HydrophobicContact CD1-CG1 4.07Å; L241-L555 HydrophobicContact CD1-CD1 3.26Å; L241-G563 PolarHBondContact O-N 3.1Å
242	K	71.5	Confident	74.5	Confident	113 Å²	113	28.8 Å²	28.8	49%	0.491	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	57.1	-176.7	-64	179.3	171.1	-176.6	0	112	F238 S239 D240 G563 D565	F238-K242 PolarHBondContact O-N 3.35Å; S239-K242 PolarHBondContact O-N 3.06Å; D240-K242 VanDerWaalsContact C-N 3.31Å; D240-K242 PolarHBondContact O-N 3.24Å; K242-G563 PolarHBondContact O-N 3.02Å; K242-D565 IonicContact NZ-OD1 3.85Å; K242-D565 PolarHBondContact NZ-OD1 2.94Å
243	V	77.6	Confident	75.5	Confident	10 Å²	10	27.3 Å²	27.3	6%	0.061	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-68.7	164.9	177	-175.3	0	0	0	0	110.5	F238 L241 V245 L247 L555 I560 V562	F238-V243 HydrophobicContact CB-CG2 4.27Å; F238-V243 HydrophobicContact CD1-CG2 4.19Å; F238-V243 HydrophobicContact CG-CG2 4.29Å; L241-V243 HydrophobicContact CB-CG2 4.09Å; L241-V243 PolarHBondContact O-N 2.84Å; V243-V245 PolarHBondContact O-N 3.5Å; V243-L247 HydrophobicContact CG1-CD2 3.96Å; V243-L555 HydrophobicContact CG2-CD1 4.29Å; V243-L555 HydrophobicContact CG2-CD2 4.29Å; V243-I560 HydrophobicContact CG1-CG2 3.87Å; V243-V562 HydrophobicContact CG2-CG1 4.37Å
244	D	81.3	Confident	76.9	Confident	40 Å²	40	27.8 Å²	27.8	21%	0.214	15%	0.148	C	C	.	.			trans	-43.9	124.6	172.1	-173.4	-19.9	0	0	0	111.8	N246 L247 Y248 F502	D244-N246 PolarHBondContact O-N 3.46Å; D244-N246 PolarHBondContact OD1-N 2.78Å; D244-N246 PolarHBondContact OD1-ND2 3.3Å; D244-L247 HydrophobicContact CB-CB 4.36Å; D244-L247 PolarHBondContact O-N 3.47Å; D244-L247 VanDerWaalsContact O-N 3.11Å; D244-Y248 PolarHBondContact O-N 3.24Å; D244-F502 HydrophobicContact CB-CZ 4.46Å
245	V	81	Confident	78.2	Confident	24 Å²	24	27.8 Å²	27.8	15%	0.145	15%	0.148	C	C	.	.	H	α-helix	trans	-54.8	-37.1	-178.9	178.6	0	0	0	0	112.4	K172 Y175 V243 A249	K172-V245 HydrophobicContact CB-CG1 4.21Å; K172-V245 HydrophobicContact CD-CG1 3.66Å; K172-V245 HydrophobicContact CD-CG2 4.29Å; K172-V245 HydrophobicContact CG-CG1 4.4Å; K172-V245 VanDerWaalsContact NZ-CG2 3.33Å; Y175-V245 HydrophobicContact CD2-CG1 3.53Å; Y175-V245 HydrophobicContact CE2-CG1 4.09Å; Y175-V245 HydrophobicContact CG-CG1 3.79Å; V243-V245 PolarHBondContact O-N 3.5Å; V245-A249 VanDerWaalsContact O-CB 3.27Å; V245-A249 WeakPolarHBondContact O-CB 3.4Å; V245-A249 PolarHBondContact O-N 3.26Å
246	N	83.2	Confident	79	Confident	60 Å²	60	27.7 Å²	27.7	32%	0.321	15%	0.148	S	C	.	.	H	α-helix	trans	-67.5	-42.8	179.6	-71.7	-60.3	0	0	0	111.8	Y175 N179 D244 L250	Y175-N246 WeakPolarHBondContact CD1-OD1 3.48Å; N179-N246 PolarHBondContact ND2-OD1 2.99Å; D244-N246 PolarHBondContact O-N 3.46Å; D244-N246 PolarHBondContact OD1-N 2.78Å; D244-N246 PolarHBondContact OD1-ND2 3.3Å; N246-L250 WeakPolarHBondContact O-CB 3.16Å; N246-L250 PolarHBondContact O-N 2.93Å; N246-L250 VanDerWaalsContact O-N 3.08Å
247	L	84.8	Confident	80	Confident	2 Å²	2	27.1 Å²	27.1	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-68.6	-44.4	178.3	179.6	60.9	0	0	0	110.3	V243 D244 L250 V251 F502 M505 I506 I560	V243-L247 HydrophobicContact CG1-CD2 3.96Å; D244-L247 HydrophobicContact CB-CB 4.36Å; D244-L247 PolarHBondContact O-N 3.47Å; D244-L247 VanDerWaalsContact O-N 3.11Å; L247-L250 PolarHBondContact O-N 3.47Å; L247-V251 HydrophobicContact CD1-CG2 3.92Å; L247-V251 HydrophobicContact CG-CG2 4.44Å; L247-V251 WeakPolarHBondContact O-CG2 3.14Å; L247-V251 PolarHBondContact O-N 3.01Å; L247-F502 HydrophobicContact CB-CD1 4Å; L247-F502 HydrophobicContact CB-CE1 3.86Å; L247-F502 HydrophobicContact CD1-CB 4.48Å; L247-F502 HydrophobicContact CD1-CD1 3.96Å; L247-F502 HydrophobicContact CD1-CG 4.47Å; L247-F502 HydrophobicContact CD2-CD1 4.27Å; L247-F502 HydrophobicContact CD2-CE1 4.44Å; L247-F502 HydrophobicContact CG-CD1 4.3Å; L247-M505 HydrophobicContact CD2-CB 4.24Å; L247-M505 HydrophobicContact CD2-CG 4Å; L247-I506 HydrophobicContact CD1-CD1 4.14Å; L247-I506 HydrophobicContact CD1-CG1 3.72Å; L247-I560 HydrophobicContact CD2-CD1 4.29Å; L247-I560 HydrophobicContact CD2-CG2 4.37Å
248	Y	83.5	Confident	80.9	Confident	50 Å²	50	27 Å²	27	20%	0.196	14%	0.143	C	C	.	.	H	α-helix	trans	-56.5	-51.2	175	177.6	-98.1	0	0	0	111.3	F238 D244 L250 V251 F252	F238-Y248 HydrophobicContact CB-CD2 3.87Å; F238-Y248 HydrophobicContact CB-CE2 4.33Å; D244-Y248 PolarHBondContact O-N 3.24Å; Y248-L250 VanDerWaalsContact C-N 3.3Å; Y248-L250 PolarHBondContact O-N 3.32Å; Y248-V251 PolarHBondContact O-N 3.36Å; Y248-F252 WeakPolarHBondContact O-CB 3.26Å; Y248-F252 PolarHBondContact O-N 2.81Å
249	A	83.3	Confident	81.5	Confident	2 Å²	2	27.2 Å²	27.2	2%	0.017	14%	0.144	C	C	.	.	H	α-helix	trans	-62.7	-35.5	-179.9	0	0	0	0	0	113	V245 G253	V245-A249 VanDerWaalsContact O-CB 3.27Å; V245-A249 WeakPolarHBondContact O-CB 3.4Å; V245-A249 PolarHBondContact O-N 3.26Å; A249-G253 PolarHBondContact O-N 3.48Å; A249-G253 VanDerWaalsContact O-N 3.08Å
250	L	85.5	Confident	82.2	Confident	12 Å²	12	24 Å²	24	6%	0.063	12%	0.122	C	C	.	.	H	α-helix	trans	-70	-51.2	178.8	-175.5	64.6	0	0	0	112.1	A182 V183 Y186 N246 L247 Y248 G253 E254 I498 I506	A182-L250 HydrophobicContact CB-CD1 3.97Å; V183-L250 HydrophobicContact CG2-CD1 3.7Å; Y186-L250 HydrophobicContact CD2-CD1 3.76Å; Y186-L250 HydrophobicContact CD2-CD2 4.45Å; Y186-L250 HydrophobicContact CD2-CG 4.26Å; Y186-L250 HydrophobicContact CE2-CD1 3.85Å; Y186-L250 HydrophobicContact CE2-CD2 3.85Å; Y186-L250 HydrophobicContact CE2-CG 4.16Å; N246-L250 WeakPolarHBondContact O-CB 3.16Å; N246-L250 PolarHBondContact O-N 2.93Å; N246-L250 VanDerWaalsContact O-N 3.08Å; L247-L250 PolarHBondContact O-N 3.47Å; Y248-L250 VanDerWaalsContact C-N 3.3Å; Y248-L250 PolarHBondContact O-N 3.32Å; L250-G253 PolarHBondContact O-N 2.97Å; L250-E254 WeakPolarHBondContact O-CB 3.5Å; L250-E254 PolarHBondContact O-N 3.37Å; L250-I498 HydrophobicContact CD2-CD1 4.1Å; L250-I506 HydrophobicContact CD2-CD1 3.75Å
251	V	86.3	Confident	83.1	Confident	1 Å²	1	19.1 Å²	19.1	1%	0.006	10%	0.095	C	C	.	.	H	α-helix	trans	-67.5	-40.3	-178.7	175	0	0	0	0	110.7	L235 F238 L247 Y248 E254 S255 I506 S509	L235-V251 HydrophobicContact CD2-CB 4.45Å; L235-V251 HydrophobicContact CD2-CG1 3.87Å; F238-V251 HydrophobicContact CE2-CB 4.32Å; F238-V251 HydrophobicContact CE2-CG1 4.06Å; F238-V251 HydrophobicContact CE2-CG2 4.28Å; L247-V251 HydrophobicContact CD1-CG2 3.92Å; L247-V251 HydrophobicContact CG-CG2 4.44Å; L247-V251 WeakPolarHBondContact O-CG2 3.14Å; L247-V251 PolarHBondContact O-N 3.01Å; Y248-V251 PolarHBondContact O-N 3.36Å; V251-E254 PolarHBondContact O-N 3.16Å; V251-S255 WeakPolarHBondContact O-CB 3.33Å; V251-S255 PolarHBondContact O-N 3.1Å; V251-S255 PolarHBondContact O-OG 3.26Å; V251-I506 HydrophobicContact CG2-CG1 3.86Å; V251-S509 VanDerWaalsContact CG1-OG 3.23Å; V251-S509 WeakPolarHBondContact CG1-OG 3.27Å
252	F	83.1	Confident	83.8	Confident	6 Å²	6	17.2 Å²	17.2	3%	0.026	9%	0.085	C	C	.	.	H	α-helix	trans	-58.6	-54.1	174.9	173.8	-102.4	0	0	0	111.6	A167 M171 L235 Y248 E254 S255 V256 L353	A167-F252 HydrophobicContact CB-CD2 4.4Å; A167-F252 HydrophobicContact CB-CE2 3.25Å; A167-F252 HydrophobicContact CB-CZ 3.38Å; A167-F252 WeakPolarHBondContact O-CZ 3.25Å; M171-F252 HydrophobicContact CB-CE1 4.3Å; M171-F252 HydrophobicContact CG-CD1 4.18Å; M171-F252 HydrophobicContact CG-CE1 4.36Å; M171-F252 HydrophobicContact SD-CD1 3.45Å; M171-F252 WeakPolarHBondContact SD-CD1 2.81Å; M171-F252 HydrophobicContact SD-CE1 3.65Å; L235-F252 HydrophobicContact CD1-CD2 3.94Å; L235-F252 HydrophobicContact CD2-CB 3.94Å; L235-F252 HydrophobicContact CD2-CD2 4.35Å; Y248-F252 WeakPolarHBondContact O-CB 3.26Å; Y248-F252 PolarHBondContact O-N 2.81Å; F252-E254 VanDerWaalsContact C-N 3.31Å; F252-E254 PolarHBondContact O-N 2.75Å; F252-S255 PolarHBondContact O-N 2.74Å; F252-V256 HydrophobicContact CD2-CG2 4.02Å; F252-V256 HydrophobicContact CE2-CG2 3.41Å; F252-V256 VanDerWaalsContact CE2-CG2 3.41Å; F252-V256 HydrophobicContact CZ-CG2 3.74Å; F252-V256 PolarHBondContact O-N 3.28Å; F252-V256 VanDerWaalsContact O-N 3.09Å; F252-L353 HydrophobicContact CZ-CD1 4.44Å
253	G	84.5	Confident	84.4	Confident	2 Å²	2	12.4 Å²	12.4	2%	0.021	7%	0.065	C	C	.	.	H	α-helix	trans	-61.2	-39.9	-179.8	0	0	0	0	0	112.6	V183 A249 L250 L257	V183-G253 VanDerWaalsContact CG1-C 3.49Å; A249-G253 PolarHBondContact O-N 3.48Å; A249-G253 VanDerWaalsContact O-N 3.08Å; L250-G253 PolarHBondContact O-N 2.97Å; G253-L257 VanDerWaalsContact O-CB 3.27Å; G253-L257 WeakPolarHBondContact O-CB 3.37Å; G253-L257 WeakPolarHBondContact O-CD1 3.14Å; G253-L257 VanDerWaalsContact O-CG 3.31Å; G253-L257 WeakPolarHBondContact O-CG 3.34Å; G253-L257 PolarHBondContact O-N 3.13Å
254	E	87.1	Confident	84.8	Confident	12 Å²	12	12 Å²	12	6%	0.056	6%	0.063	C	C	.	.	H	α-helix	trans	-61.6	-51.6	174.4	177.5	-98.5	160.8	0	0	111.6	L250 V251 F252 N258 R422	L250-E254 WeakPolarHBondContact O-CB 3.5Å; L250-E254 PolarHBondContact O-N 3.37Å; V251-E254 PolarHBondContact O-N 3.16Å; F252-E254 VanDerWaalsContact C-N 3.31Å; F252-E254 PolarHBondContact O-N 2.75Å; E254-N258 WeakPolarHBondContact O-CB 3.4Å; E254-N258 PolarHBondContact O-N 3.48Å; E254-R422 IonicContact OE1-CZ 3.6Å; E254-R422 IonicContact OE1-NH1 2.89Å; E254-R422 PolarHBondContact OE1-NH1 3.33Å
255	S	85.8	Confident	85	Confident	2 Å²	2	11.6 Å²	11.6	1%	0.014	6%	0.06	C	C	.	.	H	α-helix	trans	-62.7	-49.9	-174.6	-62.9	0	0	0	0	112.3	V251 F252 N258 D259	V251-S255 WeakPolarHBondContact O-CB 3.33Å; V251-S255 PolarHBondContact O-N 3.1Å; V251-S255 PolarHBondContact O-OG 3.26Å; F252-S255 PolarHBondContact O-N 2.74Å; S255-N258 PolarHBondContact O-N 3.28Å; S255-D259 PolarHBondContact O-N 3.37Å; S255-D259 VanDerWaalsContact O-N 3.16Å
256	V	84.3	Confident	85.1	Confident	13 Å²	13	10.7 Å²	10.7	8%	0.079	6%	0.055	C	C	.	.	H	α-helix	trans	-71.5	-40	-176.1	-172.9	0	0	0	0	112.1	I164 F252 N258 D259 A260 L353	I164-V256 HydrophobicContact CG2-CG1 4.13Å; F252-V256 HydrophobicContact CD2-CG2 4.02Å; F252-V256 HydrophobicContact CE2-CG2 3.41Å; F252-V256 VanDerWaalsContact CE2-CG2 3.41Å; F252-V256 HydrophobicContact CZ-CG2 3.74Å; F252-V256 PolarHBondContact O-N 3.28Å; F252-V256 VanDerWaalsContact O-N 3.09Å; V256-N258 VanDerWaalsContact C-N 3.33Å; V256-D259 PolarHBondContact O-N 2.91Å; V256-A260 PolarHBondContact O-N 3.35Å; V256-L353 HydrophobicContact CB-CD2 4.38Å; V256-L353 HydrophobicContact CG1-CD1 3.94Å; V256-L353 HydrophobicContact CG1-CD2 3.87Å; V256-L353 HydrophobicContact CG1-CG 4.35Å
257	L	86.3	Confident	85.2	Confident	3 Å²	3	11 Å²	11	2%	0.016	6%	0.055	C	C	.	.	H	α-helix	trans	-67.7	-36.8	176	-72.8	172.9	0	0	0	111.7	V183 A187 G253 D259 A260 L261 L353 F354	V183-L257 HydrophobicContact CG1-CD1 3.72Å; A187-L257 HydrophobicContact CB-CB 3.7Å; A187-L257 HydrophobicContact CB-CD1 4.2Å; G253-L257 VanDerWaalsContact O-CB 3.27Å; G253-L257 WeakPolarHBondContact O-CB 3.37Å; G253-L257 WeakPolarHBondContact O-CD1 3.14Å; G253-L257 VanDerWaalsContact O-CG 3.31Å; G253-L257 WeakPolarHBondContact O-CG 3.34Å; G253-L257 PolarHBondContact O-N 3.13Å; L257-D259 PolarHBondContact O-N 2.87Å; L257-A260 WeakPolarHBondContact O-CB 3.29Å; L257-A260 PolarHBondContact O-N 3.43Å; L257-L261 WeakPolarHBondContact O-CB 3.47Å; L257-L261 WeakPolarHBondContact O-CG 3.45Å; L257-L261 PolarHBondContact O-N 3.09Å; L257-L353 HydrophobicContact CD2-CD2 3.68Å; L257-L353 HydrophobicContact CG-CD2 4.12Å; L257-F354 HydrophobicContact CD2-CE2 3.88Å; L257-F354 HydrophobicContact CD2-CZ 3.87Å
258	N	86.2	Confident	85.3	Confident	2 Å²	2	11.2 Å²	11.2	1%	0.011	6%	0.056	C	C	.	.	H	α-helix	trans	-61	-42	177	174.8	41.3	0	0	0	112	T191 I229 E254 S255 V256 A260 L261 A262 R422	T191-N258 PolarHBondContact OG1-OD1 3.25Å; I229-N258 WeakPolarHBondContact CD1-OD1 3.47Å; I229-N258 WeakPolarHBondContact CG1-ND2 3.44Å; I229-N258 WeakPolarHBondContact CG1-OD1 3.19Å; I229-N258 PolarHBondContact O-ND2 3.4Å; E254-N258 WeakPolarHBondContact O-CB 3.4Å; E254-N258 PolarHBondContact O-N 3.48Å; S255-N258 PolarHBondContact O-N 3.28Å; V256-N258 VanDerWaalsContact C-N 3.33Å; N258-A260 VanDerWaalsContact C-N 3.28Å; N258-A260 PolarHBondContact O-N 3.43Å; N258-L261 PolarHBondContact O-N 3.18Å; N258-A262 VanDerWaalsContact O-CB 3.29Å; N258-A262 WeakPolarHBondContact O-CB 3.47Å; N258-A262 PolarHBondContact O-N 2.99Å; N258-R422 PolarHBondContact ND2-NH2 2.99Å
259	D	85.6	Confident	85.2	Confident	5 Å²	5	10.4 Å²	10.4	3%	0.027	6%	0.055	C	C	.	.	H	α-helix	trans	-57.6	-43.2	174.7	-75.7	2.7	0	0	0	112.3	V230 L231 V232 S255 V256 L257 A262 I263 M515	V230-D259 VanDerWaalsContact CA-OD1 3.24Å; V230-D259 WeakPolarHBondContact CA-OD1 3.5Å; V230-D259 WeakPolarHBondContact CG1-OD1 3.41Å; L231-D259 PolarHBondContact N-OD1 2.88Å; V232-D259 VanDerWaalsContact CG2-OD2 3.27Å; V232-D259 WeakPolarHBondContact CG2-OD2 3.47Å; S255-D259 PolarHBondContact O-N 3.37Å; S255-D259 VanDerWaalsContact O-N 3.16Å; V256-D259 PolarHBondContact O-N 2.91Å; L257-D259 PolarHBondContact O-N 2.87Å; D259-A262 WeakPolarHBondContact O-CB 3.07Å; D259-A262 PolarHBondContact O-N 3.5Å; D259-I263 PolarHBondContact O-N 3.18Å; D259-M515 HydrophobicContact CB-CE 4.36Å
260	A	85.1	Confident	85.2	Confident	1 Å²	1	14 Å²	14	1%	0.008	7%	0.072	C	C	.	.	H	α-helix	trans	-67.6	-45.3	179.1	0	0	0	0	0	112.2	V256 L257 N258 A262 I263 A264 I349 V350	V256-A260 PolarHBondContact O-N 3.35Å; L257-A260 WeakPolarHBondContact O-CB 3.29Å; L257-A260 PolarHBondContact O-N 3.43Å; N258-A260 VanDerWaalsContact C-N 3.28Å; N258-A260 PolarHBondContact O-N 3.43Å; A260-A262 VanDerWaalsContact C-N 3.31Å; A260-A262 PolarHBondContact O-N 3.07Å; A260-I263 PolarHBondContact O-N 3.03Å; A260-A264 PolarHBondContact O-N 3.41Å; A260-A264 VanDerWaalsContact O-N 3.16Å; A260-I349 HydrophobicContact CB-CG2 3.89Å; A260-V350 HydrophobicContact CB-CB 4.43Å; A260-V350 HydrophobicContact CB-CG2 3.21Å
261	L	88.4	Confident	85.1	Confident	0 Å²	0	17 Å²	17	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-66.4	-33.7	177.6	-70.5	166.7	0	0	0	112	A187 F188 T191 L257 N258 A264 L265 F292 F296	A187-L261 HydrophobicContact CB-CD1 3.7Å; F188-L261 HydrophobicContact CD1-CD1 4.43Å; F188-L261 HydrophobicContact CD1-CD2 3.93Å; F188-L261 HydrophobicContact CD2-CD1 3.93Å; F188-L261 HydrophobicContact CD2-CD2 4.4Å; F188-L261 HydrophobicContact CE1-CD2 3.44Å; F188-L261 VanDerWaalsContact CE1-CD2 3.44Å; F188-L261 HydrophobicContact CE2-CD1 4.05Å; F188-L261 HydrophobicContact CE2-CD2 3.94Å; F188-L261 HydrophobicContact CG-CD1 4.14Å; F188-L261 HydrophobicContact CG-CD2 4.4Å; F188-L261 HydrophobicContact CZ-CD1 4.4Å; F188-L261 HydrophobicContact CZ-CD2 3.46Å; F188-L261 VanDerWaalsContact CZ-CD2 3.46Å; T191-L261 HydrophobicContact CG2-CB 4.12Å; L257-L261 WeakPolarHBondContact O-CB 3.47Å; L257-L261 WeakPolarHBondContact O-CG 3.45Å; L257-L261 PolarHBondContact O-N 3.09Å; N258-L261 PolarHBondContact O-N 3.18Å; L261-A264 PolarHBondContact O-N 2.9Å; L261-L265 WeakPolarHBondContact O-CB 3.42Å; L261-L265 PolarHBondContact O-N 2.91Å; L261-F292 HydrophobicContact CD2-CE2 4.19Å; L261-F292 HydrophobicContact CD2-CZ 3.63Å; L261-F296 HydrophobicContact CD2-CD2 3.46Å; L261-F296 VanDerWaalsContact CD2-CD2 3.46Å; L261-F296 HydrophobicContact CD2-CE2 3.59Å; L261-F296 HydrophobicContact CD2-CG 4.2Å; L261-F296 HydrophobicContact CD2-CZ 4.44Å; L261-F296 HydrophobicContact CG-CD2 4.29Å; L261-F296 HydrophobicContact CG-CE2 4.1Å
262	A	85.6	Confident	85	Confident	1 Å²	1	19.7 Å²	19.7	1%	0.008	10%	0.095	C	C	.	.	H	α-helix	trans	-58.4	-51.8	175.1	0	0	0	0	0	110.2	H226 I229 V230 N258 D259 A260 A264 L265 A266	H226-A262 PolarHBondContact CD2-O 2.91Å; I229-A262 HydrophobicContact CG2-CB 3.43Å; I229-A262 VanDerWaalsContact CG2-CB 3.43Å; V230-A262 HydrophobicContact CG2-CB 3.66Å; N258-A262 VanDerWaalsContact O-CB 3.29Å; N258-A262 WeakPolarHBondContact O-CB 3.47Å; N258-A262 PolarHBondContact O-N 2.99Å; D259-A262 WeakPolarHBondContact O-CB 3.07Å; D259-A262 PolarHBondContact O-N 3.5Å; A260-A262 VanDerWaalsContact C-N 3.31Å; A260-A262 PolarHBondContact O-N 3.07Å; A262-A264 PolarHBondContact O-N 3.36Å; A262-L265 PolarHBondContact O-N 2.98Å; A262-A266 WeakPolarHBondContact O-CB 3.3Å; A262-A266 PolarHBondContact O-N 3Å
263	I	84	Confident	84.8	Confident	13 Å²	13	21.7 Å²	21.7	7%	0.067	12%	0.117	C	C	.	.	H	α-helix	trans	-61.7	-46.4	-179.3	-67.1	168.2	0	0	0	110.8	H226 D259 A260 L265 A266 Q267 T347 I349 L519	H226-I263 WeakPolarHBondContact NE2-CA 3.13Å; D259-I263 PolarHBondContact O-N 3.18Å; A260-I263 PolarHBondContact O-N 3.03Å; I263-L265 VanDerWaalsContact C-N 3.28Å; I263-L265 PolarHBondContact O-N 3.42Å; I263-A266 PolarHBondContact O-N 2.97Å; I263-Q267 WeakPolarHBondContact O-CG 3.31Å; I263-Q267 PolarHBondContact O-N 2.84Å; I263-T347 HydrophobicContact CG2-CG2 4.35Å; I263-I349 HydrophobicContact CD1-CD1 3.32Å; I263-L519 HydrophobicContact CD1-CD1 4.26Å; I263-L519 HydrophobicContact CD1-CD2 4.13Å; I263-L519 HydrophobicContact CG1-CD1 3.99Å; I263-L519 HydrophobicContact CG1-CD2 4.07Å
264	A	86.3	Confident	84.6	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.008	15%	0.148	C	C	.	.	H	α-helix	trans	-60	-39.7	177.4	0	0	0	0	0	111.9	A260 L261 A262 S268 F292	A260-A264 PolarHBondContact O-N 3.41Å; A260-A264 VanDerWaalsContact O-N 3.16Å; L261-A264 PolarHBondContact O-N 2.9Å; A262-A264 PolarHBondContact O-N 3.36Å; A264-S268 WeakPolarHBondContact O-CB 3.4Å; A264-S268 PolarHBondContact O-N 3.41Å; A264-S268 VanDerWaalsContact O-N 3.11Å; A264-S268 PolarHBondContact O-OG 2.85Å; A264-F292 HydrophobicContact CB-CD2 3.83Å; A264-F292 HydrophobicContact CB-CE2 3.85Å
265	L	85.7	Confident	84.3	Confident	32 Å²	32	29.3 Å²	29.3	17%	0.168	16%	0.164	C	C	.	.	H	α-helix	trans	-69.8	-40.2	177.6	-176.8	57.5	0	0	0	111.6	T191 A195 Y225 L261 A262 I263 S268 I269 F292	T191-L265 HydrophobicContact CG2-CD2 4.11Å; A195-L265 HydrophobicContact CB-CD2 4.11Å; Y225-L265 HydrophobicContact CE1-CD2 3.7Å; L261-L265 WeakPolarHBondContact O-CB 3.42Å; L261-L265 PolarHBondContact O-N 2.91Å; A262-L265 PolarHBondContact O-N 2.98Å; I263-L265 VanDerWaalsContact C-N 3.28Å; I263-L265 PolarHBondContact O-N 3.42Å; L265-S268 WeakPolarHBondContact O-CB 3.28Å; L265-S268 PolarHBondContact O-N 2.67Å; L265-I269 HydrophobicContact CD1-CD1 4.34Å; L265-I269 HydrophobicContact CD1-CG1 4.48Å; L265-I269 HydrophobicContact CG-CD1 4.03Å; L265-I269 VanDerWaalsContact O-CG1 3.28Å; L265-I269 WeakPolarHBondContact O-CG1 3.49Å; L265-I269 PolarHBondContact O-N 3.37Å; L265-F292 HydrophobicContact CB-CD2 4.34Å; L265-F292 HydrophobicContact CB-CE2 4.09Å
266	A	83.5	Confident	83.7	Confident	5 Å²	5	30.5 Å²	30.5	4%	0.041	17%	0.172	C	C	.	.	H	α-helix	trans	-64.6	-45.5	177	0	0	0	0	0	112.7	H226 A262 I263 S268 I269 E270	H226-A266 HydrophobicContact CB-CB 3.76Å; H226-A266 WeakPolarHBondContact CD2-CB 3.17Å; A262-A266 WeakPolarHBondContact O-CB 3.3Å; A262-A266 PolarHBondContact O-N 3Å; I263-A266 PolarHBondContact O-N 2.97Å; A266-S268 PolarHBondContact O-N 2.79Å; A266-I269 PolarHBondContact O-N 3.12Å; A266-I269 VanDerWaalsContact O-N 3.16Å; A266-E270 WeakPolarHBondContact O-CG 3.46Å; A266-E270 PolarHBondContact O-N 2.91Å
267	Q	83.8	Confident	83	Confident	66 Å²	66	35.1 Å²	35.1	31%	0.308	21%	0.212	S	C	.	.	H	α-helix	trans	-59.5	-36.5	173.8	-72.5	175.6	-24.8	0	0	111.4	I263 K271 M295	I263-Q267 WeakPolarHBondContact O-CG 3.31Å; I263-Q267 PolarHBondContact O-N 2.84Å; Q267-K271 VanDerWaalsContact O-CB 3.32Å; Q267-K271 WeakPolarHBondContact O-CB 3.38Å; Q267-K271 PolarHBondContact O-N 3.16Å; Q267-M295 VanDerWaalsContact OE1-CE 3.32Å
268	S	86.7	Confident	82.1	Confident	6 Å²	6	38.2 Å²	38.2	4%	0.042	24%	0.244	C	C	.	.	H	α-helix	trans	-70.3	-37.4	176.8	-57.5	0	0	0	0	112.3	A264 L265 A266 Y272 F292	A264-S268 WeakPolarHBondContact O-CB 3.4Å; A264-S268 PolarHBondContact O-N 3.41Å; A264-S268 VanDerWaalsContact O-N 3.11Å; A264-S268 PolarHBondContact O-OG 2.85Å; L265-S268 WeakPolarHBondContact O-CB 3.28Å; L265-S268 PolarHBondContact O-N 2.67Å; A266-S268 PolarHBondContact O-N 2.79Å; S268-Y272 PolarHBondContact O-N 3.16Å; S268-F292 WeakPolarHBondContact OG-CA 3.39Å; S268-F292 WeakPolarHBondContact OG-CB 3.42Å; S268-F292 PolarHBondContact OG-N 3.28Å
269	I	83.3	Confident	81.7	Confident	33 Å²	33	44.8 Å²	44.8	17%	0.169	28%	0.279	C	S	.	.	H	α-helix	trans	-67.8	-42.3	174	-68	162.8	0	0	0	110.9	L222 L265 A266 Y272 G273	L222-I269 HydrophobicContact CB-CD1 4.42Å; L265-I269 HydrophobicContact CD1-CD1 4.34Å; L265-I269 HydrophobicContact CD1-CG1 4.48Å; L265-I269 HydrophobicContact CG-CD1 4.03Å; L265-I269 VanDerWaalsContact O-CG1 3.28Å; L265-I269 WeakPolarHBondContact O-CG1 3.49Å; L265-I269 PolarHBondContact O-N 3.37Å; A266-I269 PolarHBondContact O-N 3.12Å; A266-I269 VanDerWaalsContact O-N 3.16Å; I269-Y272 WeakPolarHBondContact O-CB 3.17Å; I269-Y272 PolarHBondContact O-N 3.19Å; I269-G273 PolarHBondContact O-N 2.92Å
270	E	81.8	Confident	81.2	Confident	78 Å²	78	52 Å²	52	36%	0.364	31%	0.311	S	S	.	.	H	α-helix	trans	-65.3	-39	176.8	-72.1	-176.9	164.1	0	0	111.3	L223 A266 G273 S274 R529	L223-E270 HydrophobicContact CD1-CG 4.49Å; L223-E270 HydrophobicContact CD2-CG 4.3Å; A266-E270 WeakPolarHBondContact O-CG 3.46Å; A266-E270 PolarHBondContact O-N 2.91Å; E270-G273 PolarHBondContact O-N 2.73Å; E270-S274 PolarHBondContact O-N 3.23Å; E270-R529 IonicContact OE1-CZ 3.58Å; E270-R529 IonicContact OE1-NH1 3.53Å; E270-R529 IonicContact OE1-NH2 3.12Å; E270-R529 PolarHBondContact OE1-NH2 3.34Å
271	K	83.5	Confident	81.2	Confident	74 Å²	74	55.1 Å²	55.1	32%	0.322	33%	0.328	S	S	.	.	H	α-helix	trans	-64.1	-38.4	172.3	-172.6	175.3	-174.2	178.6	0	112.6	Q267 S274 I275 N291	Q267-K271 VanDerWaalsContact O-CB 3.32Å; Q267-K271 WeakPolarHBondContact O-CB 3.38Å; Q267-K271 PolarHBondContact O-N 3.16Å; K271-S274 PolarHBondContact O-OG 3.11Å; K271-I275 HydrophobicContact CG-CD1 3.95Å; K271-I275 WeakPolarHBondContact O-CD1 3.3Å; K271-I275 VanDerWaalsContact O-CG1 3.3Å; K271-I275 WeakPolarHBondContact O-CG1 3.32Å; K271-I275 PolarHBondContact O-N 3.22Å; K271-N291 HydrophobicContact CD-CB 4.03Å; K271-N291 WeakPolarHBondContact CD-ND2 3.39Å; K271-N291 VanDerWaalsContact NZ-CG 3.32Å; K271-N291 PolarHBondContact NZ-OD1 3.16Å
272	Y	84.8	Confident	81.1	Confident	59 Å²	59	57 Å²	57	23%	0.231	35%	0.347	C	S	.	.	H	α-helix	trans	-63.6	-45	172.9	179	-97.7	0	0	0	111.1	S268 I269 S274 I275 S276 A284 F285 S288	S268-Y272 PolarHBondContact O-N 3.16Å; I269-Y272 WeakPolarHBondContact O-CB 3.17Å; I269-Y272 PolarHBondContact O-N 3.19Å; Y272-S274 VanDerWaalsContact C-N 3.3Å; Y272-S274 PolarHBondContact O-N 3.16Å; Y272-I275 PolarHBondContact O-N 2.94Å; Y272-S276 VanDerWaalsContact O-CB 3.26Å; Y272-S276 WeakPolarHBondContact O-CB 3.5Å; Y272-S276 PolarHBondContact O-N 2.63Å; Y272-A284 HydrophobicContact CD2-CB 4.1Å; Y272-A284 HydrophobicContact CE2-CB 4.06Å; Y272-F285 HydrophobicContact CE2-CB 4.13Å; Y272-S288 WeakPolarHBondContact CA-OG 3.42Å; Y272-S288 WeakPolarHBondContact CB-OG 2.94Å
273	G	79.3	Confident	81.2	Confident	48 Å²	48	63.4 Å²	63.4	50%	0.495	38%	0.376	S	S	.	.	H	α-helix	trans	-64.4	-30.2	179.9	0	0	0	0	0	114.1	I269 E270	I269-G273 PolarHBondContact O-N 2.92Å; E270-G273 PolarHBondContact O-N 2.73Å
274	S	80	Confident	81.4	Confident	95 Å²	95	62.8 Å²	62.8	66%	0.664	37%	0.373	S	S	*	.	H	α-helix	trans	-79.4	-27.4	176.9	65.5	0	0	0	0	113.8	E270 K271 Y272	E270-S274 PolarHBondContact O-N 3.23Å; K271-S274 PolarHBondContact O-OG 3.11Å; Y272-S274 VanDerWaalsContact C-N 3.3Å; Y272-S274 PolarHBondContact O-N 3.16Å
275	I	80	Confident	81.5	Confident	79 Å²	79	67.9 Å²	67.9	41%	0.405	40%	0.396	S	S	.	.	H	α-helix	trans	-89.6	-35	-179.8	-61.6	169	0	0	0	111.2	K271 Y272 A277 A284	K271-I275 HydrophobicContact CG-CD1 3.95Å; K271-I275 WeakPolarHBondContact O-CD1 3.3Å; K271-I275 VanDerWaalsContact O-CG1 3.3Å; K271-I275 WeakPolarHBondContact O-CG1 3.32Å; K271-I275 PolarHBondContact O-N 3.22Å; Y272-I275 PolarHBondContact O-N 2.94Å; I275-A277 PolarHBondContact O-N 2.92Å; I275-A284 HydrophobicContact CB-CB 4.31Å; I275-A284 HydrophobicContact CG2-CB 3.75Å
276	S	74	Confident	81.7	Confident	26 Å²	26	71.1 Å²	71.1	18%	0.182	41%	0.412	C	S	.	.			trans	-79	110.6	-175.5	-177	0	0	0	0	111.7	Y272 G278 N279	Y272-S276 VanDerWaalsContact O-CB 3.26Å; Y272-S276 WeakPolarHBondContact O-CB 3.5Å; Y272-S276 PolarHBondContact O-N 2.63Å; S276-G278 PolarHBondContact O-N 3.26Å; S276-N279 PolarHBondContact OG-O 3.5Å; S276-N279 VanDerWaalsContact OG-O 3.05Å
277	A	68.7	Low	82	Confident	110 Å²	110	72.5 Å²	72.5	91%	0.909	42%	0.422	S	S	*	.			trans	-77.8	28.7	173.5	0	0	0	0	0	113.9	I275	I275-A277 PolarHBondContact O-N 2.92Å
278	G	68.6	Low	82.3	Confident	68 Å²	68	69.8 Å²	69.8	70%	0.701	41%	0.41	S	S	*	.	S	Bend	trans	99.5	-17.8	174.7	0	0	0	0	0	116.3	S276	S276-G278 PolarHBondContact O-N 3.26Å
279	N	76.6	Confident	82.4	Confident	140 Å²	140	71.9 Å²	71.9	75%	0.749	42%	0.423	S	S	*	.	S	Bend	trans	-94.7	151.3	170.7	-73.3	-21.7	0	0	0	111.3	S276 D281	S276-N279 PolarHBondContact OG-O 3.5Å; S276-N279 VanDerWaalsContact OG-O 3.05Å; N279-D281 PolarHBondContact O-N 2.98Å
280	F	76.3	Confident	82.8	Confident	158 Å²	158	74.6 Å²	74.6	69%	0.693	44%	0.437	S	S	*	.			trans	-66.6	102.4	173.2	-177.3	-100.1	0	0	0	109.4
281	D	83.4	Confident	83.1	Confident	66 Å²	66	72.3 Å²	72.3	35%	0.353	43%	0.427	S	S	.	.			trans	-97.4	112.1	172.9	178.1	20.1	0	0	0	109.4	N279 H283 A284 F285	N279-D281 PolarHBondContact O-N 2.98Å; D281-H283 PolarHBondContact O-N 3.16Å; D281-H283 WeakPolarHBondContact OD1-CB 3.26Å; D281-H283 PolarHBondContact OD1-N 3.41Å; D281-A284 HydrophobicContact CB-CB 3.87Å; D281-A284 PolarHBondContact O-N 2.89Å; D281-A284 WeakPolarHBondContact OD2-CB 3.43Å; D281-A284 PolarHBondContact OD2-N 3.07Å; D281-A284 VanDerWaalsContact OD2-N 3.09Å; D281-F285 PolarHBondContact O-N 3.49Å
282	G	86.5	Confident	83.5	Confident	40 Å²	40	70.1 Å²	70.1	41%	0.412	42%	0.418	S	S	.	.	H	α-helix	trans	-61.7	-29.7	177.4	0	0	0	0	0	112.5	L286	G282-L286 WeakPolarHBondContact O-CB 3.17Å; G282-L286 PolarHBondContact O-N 3.22Å
283	H	88.8	Confident	83.7	Confident	134 Å²	134	72.8 Å²	72.8	62%	0.62	43%	0.431	S	S	*	.	H	α-helix	trans	-71.5	-46.9	176.5	176.8	-94.3	0	0	0	111.3	D281 F285 L286 S287	D281-H283 PolarHBondContact O-N 3.16Å; D281-H283 WeakPolarHBondContact OD1-CB 3.26Å; D281-H283 PolarHBondContact OD1-N 3.41Å; H283-F285 VanDerWaalsContact C-N 3.28Å; H283-F285 PolarHBondContact O-N 2.87Å; H283-L286 PolarHBondContact O-N 3.41Å; H283-S287 VanDerWaalsContact O-CB 3.29Å; H283-S287 WeakPolarHBondContact O-CB 3.36Å; H283-S287 PolarHBondContact O-N 2.73Å
284	A	87.7	Confident	84.3	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	43%	0.433	C	S	.	.	H	α-helix	trans	-57.9	-40.7	173.3	0	0	0	0	0	112.3	Y272 I275 D281 S288	Y272-A284 HydrophobicContact CD2-CB 4.1Å; Y272-A284 HydrophobicContact CE2-CB 4.06Å; I275-A284 HydrophobicContact CB-CB 4.31Å; I275-A284 HydrophobicContact CG2-CB 3.75Å; D281-A284 HydrophobicContact CB-CB 3.87Å; D281-A284 PolarHBondContact O-N 2.89Å; D281-A284 WeakPolarHBondContact OD2-CB 3.43Å; D281-A284 PolarHBondContact OD2-N 3.07Å; D281-A284 VanDerWaalsContact OD2-N 3.09Å; A284-S288 WeakPolarHBondContact O-CB 3.31Å; A284-S288 PolarHBondContact O-N 3.28Å; A284-S288 PolarHBondContact O-OG 3.16Å
285	F	88	Confident	84.8	Confident	109 Å²	109	71.9 Å²	71.9	48%	0.478	41%	0.405	S	S	.	.	H	α-helix	trans	-62.9	-52.1	176.3	178.4	-102.1	0	0	0	111.8	Y272 D281 H283 S287 S288 V289	Y272-F285 HydrophobicContact CE2-CB 4.13Å; D281-F285 PolarHBondContact O-N 3.49Å; H283-F285 VanDerWaalsContact C-N 3.28Å; H283-F285 PolarHBondContact O-N 2.87Å; F285-S287 VanDerWaalsContact C-N 3.33Å; F285-S287 PolarHBondContact O-N 3.43Å; F285-S288 PolarHBondContact O-N 2.73Å; F285-S288 VanDerWaalsContact O-N 3.14Å; F285-V289 HydrophobicContact CD1-CG2 4.4Å; F285-V289 HydrophobicContact CE1-CG2 3.96Å; F285-V289 HydrophobicContact CE2-CG2 4.13Å; F285-V289 HydrophobicContact CZ-CG2 3.81Å; F285-V289 WeakPolarHBondContact O-CG2 2.92Å; F285-V289 PolarHBondContact O-N 3.28Å
286	L	91.3	Very high	85.3	Confident	99 Å²	99	69.2 Å²	69.2	52%	0.518	39%	0.391	S	S	.	.	H	α-helix	trans	-60.8	-42.7	179.1	-178.8	64.6	0	0	0	111.6	G282 H283 S288 V289 L290	G282-L286 WeakPolarHBondContact O-CB 3.17Å; G282-L286 PolarHBondContact O-N 3.22Å; H283-L286 PolarHBondContact O-N 3.41Å; L286-S288 VanDerWaalsContact C-N 3.28Å; L286-S288 PolarHBondContact O-N 3.06Å; L286-V289 PolarHBondContact O-N 3.46Å; L286-L290 HydrophobicContact CD1-CD1 4.43Å; L286-L290 HydrophobicContact CD1-CG 4.35Å; L286-L290 HydrophobicContact CG-CD1 4.06Å; L286-L290 HydrophobicContact CG-CG 4.4Å; L286-L290 WeakPolarHBondContact O-CB 3.3Å; L286-L290 WeakPolarHBondContact O-CG 3.45Å; L286-L290 PolarHBondContact O-N 2.86Å
287	S	89.5	Confident	86.1	Confident	35 Å²	35	69.3 Å²	69.3	25%	0.245	40%	0.396	C	S	.	.	H	α-helix	trans	-60.6	-37.4	176.6	-176.6	0	0	0	0	112.1	H283 F285 N291	H283-S287 VanDerWaalsContact O-CB 3.29Å; H283-S287 WeakPolarHBondContact O-CB 3.36Å; H283-S287 PolarHBondContact O-N 2.73Å; F285-S287 VanDerWaalsContact C-N 3.33Å; F285-S287 PolarHBondContact O-N 3.43Å; S287-N291 VanDerWaalsContact O-CB 3.25Å; S287-N291 WeakPolarHBondContact O-CB 3.15Å; S287-N291 PolarHBondContact O-N 2.84Å
288	S	88.7	Confident	87.3	Confident	8 Å²	8	64.8 Å²	64.8	6%	0.056	36%	0.36	C	S	.	.	H	α-helix	trans	-71.2	-40	177.4	-56.3	0	0	0	0	112.1	Y272 A284 F285 L286 N291 F292	Y272-S288 WeakPolarHBondContact CA-OG 3.42Å; Y272-S288 WeakPolarHBondContact CB-OG 2.94Å; A284-S288 WeakPolarHBondContact O-CB 3.31Å; A284-S288 PolarHBondContact O-N 3.28Å; A284-S288 PolarHBondContact O-OG 3.16Å; F285-S288 PolarHBondContact O-N 2.73Å; F285-S288 VanDerWaalsContact O-N 3.14Å; L286-S288 VanDerWaalsContact C-N 3.28Å; L286-S288 PolarHBondContact O-N 3.06Å; S288-N291 WeakPolarHBondContact O-CB 3.4Å; S288-N291 PolarHBondContact O-N 3.1Å; S288-F292 PolarHBondContact O-N 3.28Å
289	V	89.3	Confident	88.5	Confident	51 Å²	51	61.5 Å²	61.5	31%	0.309	33%	0.327	S	S	.	.	H	α-helix	trans	-66.1	-42.3	174	174.3	0	0	0	0	111.3	F285 L286 N291 F292 F293	F285-V289 HydrophobicContact CD1-CG2 4.4Å; F285-V289 HydrophobicContact CE1-CG2 3.96Å; F285-V289 HydrophobicContact CE2-CG2 4.13Å; F285-V289 HydrophobicContact CZ-CG2 3.81Å; F285-V289 WeakPolarHBondContact O-CG2 2.92Å; F285-V289 PolarHBondContact O-N 3.28Å; L286-V289 PolarHBondContact O-N 3.46Å; V289-N291 VanDerWaalsContact C-N 3.35Å; V289-F292 WeakPolarHBondContact O-CB 3.13Å; V289-F292 PolarHBondContact O-N 2.76Å; V289-F293 HydrophobicContact CG1-CD2 4.01Å; V289-F293 HydrophobicContact CG1-CE2 3.71Å; V289-F293 WeakPolarHBondContact O-CD2 3.29Å; V289-F293 PolarHBondContact O-N 3.38Å
290	L	91	Very high	89.3	Confident	90 Å²	90	58.8 Å²	58.8	47%	0.471	31%	0.308	S	S	.	.	H	α-helix	trans	-64.2	-41.2	174.6	-72.6	174.4	0	0	0	111.4	L286 F292 F293 I294	L286-L290 HydrophobicContact CD1-CD1 4.43Å; L286-L290 HydrophobicContact CD1-CG 4.35Å; L286-L290 HydrophobicContact CG-CD1 4.06Å; L286-L290 HydrophobicContact CG-CG 4.4Å; L286-L290 WeakPolarHBondContact O-CB 3.3Å; L286-L290 WeakPolarHBondContact O-CG 3.45Å; L286-L290 PolarHBondContact O-N 2.86Å; L290-F292 VanDerWaalsContact C-N 3.28Å; L290-F292 PolarHBondContact O-N 2.91Å; L290-F293 PolarHBondContact O-N 2.82Å; L290-I294 WeakPolarHBondContact O-CB 3.49Å; L290-I294 VanDerWaalsContact O-CG1 3.26Å; L290-I294 WeakPolarHBondContact O-CG1 3.04Å; L290-I294 PolarHBondContact O-N 3.29Å
291	N	90.1	Very high	90.1	Very high	29 Å²	29	55.7 Å²	55.7	16%	0.155	30%	0.302	C	S	.	.	H	α-helix	trans	-57.7	-43	174.8	-167.1	66.5	0	0	0	111.4	K271 S287 S288 V289 F293 I294 M295	K271-N291 HydrophobicContact CD-CB 4.03Å; K271-N291 WeakPolarHBondContact CD-ND2 3.39Å; K271-N291 VanDerWaalsContact NZ-CG 3.32Å; K271-N291 PolarHBondContact NZ-OD1 3.16Å; S287-N291 VanDerWaalsContact O-CB 3.25Å; S287-N291 WeakPolarHBondContact O-CB 3.15Å; S287-N291 PolarHBondContact O-N 2.84Å; S288-N291 WeakPolarHBondContact O-CB 3.4Å; S288-N291 PolarHBondContact O-N 3.1Å; V289-N291 VanDerWaalsContact C-N 3.35Å; N291-F293 PolarHBondContact O-N 3.35Å; N291-I294 PolarHBondContact O-N 2.58Å; N291-M295 VanDerWaalsContact O-CB 3.31Å; N291-M295 WeakPolarHBondContact O-CB 3.22Å; N291-M295 WeakPolarHBondContact O-CG 3.43Å; N291-M295 PolarHBondContact O-N 3.09Å
292	F	90.2	Very high	90.7	Very high	28 Å²	28	53.1 Å²	53.1	12%	0.123	29%	0.289	C	S	.	.	H	α-helix	trans	-56.6	-49.4	175.2	173.6	-99.4	0	0	0	112.4	F188 L261 A264 L265 S268 S288 V289 L290 M295 F296	F188-F292 HydrophobicContact CD1-CE1 4.31Å; F188-F292 HydrophobicContact CD1-CZ 4.4Å; F188-F292 AromaticContact CE1-CE1 3.95Å; F188-F292 HydrophobicContact CE1-CE1 3.95Å; F188-F292 HydrophobicContact CE1-CZ 4.11Å; L261-F292 HydrophobicContact CD2-CE2 4.19Å; L261-F292 HydrophobicContact CD2-CZ 3.63Å; A264-F292 HydrophobicContact CB-CD2 3.83Å; A264-F292 HydrophobicContact CB-CE2 3.85Å; L265-F292 HydrophobicContact CB-CD2 4.34Å; L265-F292 HydrophobicContact CB-CE2 4.09Å; S268-F292 WeakPolarHBondContact OG-CA 3.39Å; S268-F292 WeakPolarHBondContact OG-CB 3.42Å; S268-F292 PolarHBondContact OG-N 3.28Å; S288-F292 PolarHBondContact O-N 3.28Å; V289-F292 WeakPolarHBondContact O-CB 3.13Å; V289-F292 PolarHBondContact O-N 2.76Å; L290-F292 VanDerWaalsContact C-N 3.28Å; L290-F292 PolarHBondContact O-N 2.91Å; F292-M295 PolarHBondContact O-N 3.43Å; F292-F296 WeakPolarHBondContact O-CB 3.18Å; F292-F296 PolarHBondContact O-N 3.21Å
293	F	90.8	Very high	91.1	Very high	116 Å²	116	51.2 Å²	51.2	51%	0.509	27%	0.269	S	S	.	.	H	α-helix	trans	-68.7	-35.8	179.3	-73.4	-67.2	0	0	0	113.2	V289 L290 N291 G297	V289-F293 HydrophobicContact CG1-CD2 4.01Å; V289-F293 HydrophobicContact CG1-CE2 3.71Å; V289-F293 WeakPolarHBondContact O-CD2 3.29Å; V289-F293 PolarHBondContact O-N 3.38Å; L290-F293 PolarHBondContact O-N 2.82Å; N291-F293 PolarHBondContact O-N 3.35Å; F293-G297 WeakPolarHBondContact O-CA 3.4Å; F293-G297 PolarHBondContact O-N 3.22Å
294	I	91.6	Very high	91.4	Very high	104 Å²	104	46.8 Å²	46.8	53%	0.533	25%	0.252	S	S	.	.	H	α-helix	trans	-65.4	-45.4	175.7	-70.1	165.8	0	0	0	110.4	L290 N291 G298 F346	L290-I294 WeakPolarHBondContact O-CB 3.49Å; L290-I294 VanDerWaalsContact O-CG1 3.26Å; L290-I294 WeakPolarHBondContact O-CG1 3.04Å; L290-I294 PolarHBondContact O-N 3.29Å; N291-I294 PolarHBondContact O-N 2.58Å; I294-G298 WeakPolarHBondContact O-CA 3.27Å; I294-G298 PolarHBondContact O-N 3.27Å; I294-F346 HydrophobicContact CG2-CE1 4.47Å
295	M	90.7	Very high	91.7	Very high	19 Å²	19	49.3 Å²	49.3	9%	0.094	27%	0.269	C	S	.	.	H	α-helix	trans	-64.1	-48.6	179.4	-70.4	-68.6	-62.3	0	0	111.6	Q267 N291 F292 S299 G345 F346 T347	Q267-M295 VanDerWaalsContact OE1-CE 3.32Å; N291-M295 VanDerWaalsContact O-CB 3.31Å; N291-M295 WeakPolarHBondContact O-CB 3.22Å; N291-M295 WeakPolarHBondContact O-CG 3.43Å; N291-M295 PolarHBondContact O-N 3.09Å; F292-M295 PolarHBondContact O-N 3.43Å; M295-S299 WeakPolarHBondContact O-CB 3.36Å; M295-S299 PolarHBondContact O-N 2.84Å; M295-S299 VanDerWaalsContact O-N 3.11Å; M295-S299 PolarHBondContact O-OG 3.2Å; M295-S299 VanDerWaalsContact O-OG 3.13Å; M295-G345 WeakPolarHBondContact CE-O 3.44Å; M295-F346 HydrophobicContact SD-CD1 4.11Å; M295-T347 HydrophobicContact CE-CG2 4.28Å
296	F	89.2	Confident	92	Very high	23 Å²	23	45 Å²	45	10%	0.101	25%	0.251	C	S	.	.	H	α-helix	trans	-67.6	-47.8	178.9	-178.3	-88.2	0	0	0	112.2	F188 L261 F292 S299 F300 V350 F354	F188-F296 HydrophobicContact CE1-CD1 4.45Å; F188-F296 AromaticContact CE2-CE1 3.95Å; F188-F296 HydrophobicContact CE2-CE1 3.95Å; F188-F296 HydrophobicContact CE2-CE2 4.23Å; F188-F296 AromaticContact CE2-CZ 3.71Å; F188-F296 HydrophobicContact CE2-CZ 3.71Å; F188-F296 AromaticContact CZ-CD1 3.68Å; F188-F296 HydrophobicContact CZ-CD1 3.68Å; F188-F296 HydrophobicContact CZ-CD2 4.14Å; F188-F296 AromaticContact CZ-CE1 3.41Å; F188-F296 HydrophobicContact CZ-CE1 3.41Å; F188-F296 VanDerWaalsContact CZ-CE1 3.41Å; F188-F296 AromaticContact CZ-CE2 3.88Å; F188-F296 HydrophobicContact CZ-CE2 3.88Å; F188-F296 HydrophobicContact CZ-CG 4.04Å; F188-F296 AromaticContact CZ-CZ 3.5Å; F188-F296 HydrophobicContact CZ-CZ 3.5Å; L261-F296 HydrophobicContact CD2-CD2 3.46Å; L261-F296 VanDerWaalsContact CD2-CD2 3.46Å; L261-F296 HydrophobicContact CD2-CE2 3.59Å; L261-F296 HydrophobicContact CD2-CG 4.2Å; L261-F296 HydrophobicContact CD2-CZ 4.44Å; L261-F296 HydrophobicContact CG-CD2 4.29Å; L261-F296 HydrophobicContact CG-CE2 4.1Å; F292-F296 WeakPolarHBondContact O-CB 3.18Å; F292-F296 PolarHBondContact O-N 3.21Å; F296-S299 PolarHBondContact O-N 2.99Å; F296-F300 PolarHBondContact O-N 3.36Å; F296-V350 HydrophobicContact CD2-CG2 4.1Å; F296-V350 HydrophobicContact CE2-CG1 4.33Å; F296-V350 HydrophobicContact CE2-CG2 4.1Å; F296-F354 HydrophobicContact CZ-CE2 4.47Å
297	G	91.7	Very high	92.1	Very high	28 Å²	28	40.3 Å²	40.3	29%	0.289	23%	0.226	S	C	.	.	H	α-helix	trans	-65.8	-41.2	-179.9	0	0	0	0	0	112.5	F293 F300 V301	F293-G297 WeakPolarHBondContact O-CA 3.4Å; F293-G297 PolarHBondContact O-N 3.22Å; G297-F300 PolarHBondContact O-N 3.12Å; G297-V301 WeakPolarHBondContact O-CG2 3.41Å; G297-V301 PolarHBondContact O-N 2.87Å
298	G	93.5	Very high	92.3	Very high	15 Å²	15	39.7 Å²	39.7	16%	0.155	22%	0.222	C	C	.	.	H	α-helix	trans	-61.8	-42.7	175.3	0	0	0	0	0	112.6	I294 T302	I294-G298 WeakPolarHBondContact O-CA 3.27Å; I294-G298 PolarHBondContact O-N 3.27Å; G298-T302 WeakPolarHBondContact O-CB 3.44Å; G298-T302 PolarHBondContact O-N 2.97Å; G298-T302 PolarHBondContact O-OG1 2.69Å
299	S	93.7	Very high	92.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.5	-44.1	171.8	-70.9	0	0	0	0	113	M295 F296 V301 T302 G303 F346 T347 S351	M295-S299 WeakPolarHBondContact O-CB 3.36Å; M295-S299 PolarHBondContact O-N 2.84Å; M295-S299 VanDerWaalsContact O-N 3.11Å; M295-S299 PolarHBondContact O-OG 3.2Å; M295-S299 VanDerWaalsContact O-OG 3.13Å; F296-S299 PolarHBondContact O-N 2.99Å; S299-V301 PolarHBondContact O-N 2.96Å; S299-T302 PolarHBondContact O-N 3.17Å; S299-G303 PolarHBondContact O-N 3.15Å; S299-F346 WeakPolarHBondContact OG-CB 3.47Å; S299-T347 WeakPolarHBondContact CB-O 3.24Å; S299-T347 WeakPolarHBondContact OG-CA 3.36Å; S299-T347 PolarHBondContact OG-N 3.13Å; S299-T347 PolarHBondContact OG-O 2.86Å; S299-T347 PolarHBondContact OG-OG1 2.87Å; S299-S351 WeakPolarHBondContact CA-OG 3.34Å; S299-S351 WeakPolarHBondContact CB-OG 3.38Å; S299-S351 PolarHBondContact O-OG 3.32Å; S299-S351 VanDerWaalsContact O-OG 3.07Å
300	F	92.4	Very high	92.6	Very high	83 Å²	83	40.3 Å²	40.3	36%	0.364	23%	0.225	S	C	.	.	H	α-helix	trans	-59.1	-49	178.2	171.5	-98.8	0	0	0	111.5	F296 G297 T302 G303 V304 F354	F296-F300 PolarHBondContact O-N 3.36Å; G297-F300 PolarHBondContact O-N 3.12Å; F300-T302 PolarHBondContact O-N 3.16Å; F300-G303 PolarHBondContact O-N 3.46Å; F300-V304 HydrophobicContact CD2-CG2 4.39Å; F300-V304 HydrophobicContact CE1-CG2 4.3Å; F300-V304 HydrophobicContact CE2-CG2 3.98Å; F300-V304 HydrophobicContact CZ-CG2 3.93Å; F300-V304 WeakPolarHBondContact O-CG2 3.12Å; F300-V304 PolarHBondContact O-N 3.31Å; F300-F354 HydrophobicContact CB-CD2 4.46Å; F300-F354 HydrophobicContact CD2-CB 4.33Å; F300-F354 AromaticContact CD2-CD1 3.57Å; F300-F354 HydrophobicContact CD2-CD1 3.57Å; F300-F354 AromaticContact CD2-CD2 3.6Å; F300-F354 HydrophobicContact CD2-CD2 3.6Å; F300-F354 AromaticContact CD2-CE1 3.63Å; F300-F354 HydrophobicContact CD2-CE1 3.63Å; F300-F354 AromaticContact CD2-CE2 3.66Å; F300-F354 HydrophobicContact CD2-CE2 3.66Å; F300-F354 AromaticContact CD2-CG 3.55Å; F300-F354 HydrophobicContact CD2-CG 3.55Å; F300-F354 AromaticContact CD2-CZ 3.67Å; F300-F354 HydrophobicContact CD2-CZ 3.67Å; F300-F354 AromaticContact CE2-CD1 3.49Å; F300-F354 HydrophobicContact CE2-CD1 3.49Å; F300-F354 VanDerWaalsContact CE2-CD1 3.49Å; F300-F354 HydrophobicContact CE2-CD2 4.38Å; F300-F354 AromaticContact CE2-CE1 3.52Å; F300-F354 HydrophobicContact CE2-CE1 3.52Å; F300-F354 HydrophobicContact CE2-CE2 4.41Å; F300-F354 AromaticContact CE2-CG 3.94Å; F300-F354 HydrophobicContact CE2-CG 3.94Å; F300-F354 HydrophobicContact CE2-CZ 4Å
301	V	94.8	Very high	92.6	Very high	92 Å²	92	36 Å²	36	56%	0.558	20%	0.203	S	C	*	.	H	α-helix	trans	-62.5	-44.1	178.3	173.7	0	0	0	0	110.6	G297 S299 G303 V304 S305	G297-V301 WeakPolarHBondContact O-CG2 3.41Å; G297-V301 PolarHBondContact O-N 2.87Å; S299-V301 PolarHBondContact O-N 2.96Å; V301-G303 PolarHBondContact O-N 3.18Å; V301-V304 PolarHBondContact O-N 2.64Å; V301-S305 VanDerWaalsContact O-CB 3.22Å; V301-S305 WeakPolarHBondContact O-CB 3.27Å; V301-S305 PolarHBondContact O-N 3.34Å; V301-S305 PolarHBondContact O-OG 3.42Å
302	T	95	Very high	92.6	Very high	12 Å²	12	37 Å²	37	7%	0.074	21%	0.208	C	C	.	.	H	α-helix	trans	-58.3	-48.8	177.7	-60	0	0	0	0	111.6	G298 S299 F300 S305 I306 F340 A341	G298-T302 WeakPolarHBondContact O-CB 3.44Å; G298-T302 PolarHBondContact O-N 2.97Å; G298-T302 PolarHBondContact O-OG1 2.69Å; S299-T302 PolarHBondContact O-N 3.17Å; F300-T302 PolarHBondContact O-N 3.16Å; T302-S305 WeakPolarHBondContact CA-OG 3.34Å; T302-S305 PolarHBondContact O-N 3.39Å; T302-S305 PolarHBondContact O-OG 2.95Å; T302-I306 HydrophobicContact CG2-CD1 3.98Å; T302-I306 WeakPolarHBondContact O-CG1 3.36Å; T302-I306 PolarHBondContact O-N 3.06Å; T302-F340 HydrophobicContact CG2-CD1 3.58Å; T302-F340 HydrophobicContact CG2-CE1 3.9Å; T302-A341 HydrophobicContact CG2-CB 4.19Å
303	G	95.3	Very high	92.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.1	-47	178.5	0	0	0	0	0	113.7	S299 F300 V301 G307 S351 C355	S299-G303 PolarHBondContact O-N 3.15Å; F300-G303 PolarHBondContact O-N 3.46Å; V301-G303 PolarHBondContact O-N 3.18Å; G303-G307 PolarHBondContact O-N 3.4Å; G303-S351 WeakPolarHBondContact CA-O 3.12Å; G303-C355 WeakPolarHBondContact O-CA 3.24Å; G303-C355 WeakPolarHBondContact O-CB 3.07Å
304	V	94.2	Very high	92.5	Very high	42 Å²	42	33.4 Å²	33.4	26%	0.255	20%	0.195	S	C	.	.	H	α-helix	trans	-64.4	-43.1	176.7	174.4	0	0	0	0	110.5	F300 V301 I306 G307 C308 F354	F300-V304 HydrophobicContact CD2-CG2 4.39Å; F300-V304 HydrophobicContact CE1-CG2 4.3Å; F300-V304 HydrophobicContact CE2-CG2 3.98Å; F300-V304 HydrophobicContact CZ-CG2 3.93Å; F300-V304 WeakPolarHBondContact O-CG2 3.12Å; F300-V304 PolarHBondContact O-N 3.31Å; V301-V304 PolarHBondContact O-N 2.64Å; V304-I306 PolarHBondContact O-N 3.35Å; V304-G307 PolarHBondContact O-N 3.01Å; V304-C308 WeakPolarHBondContact O-CB 3.32Å; V304-C308 PolarHBondContact O-N 2.9Å; V304-C308 PolarHBondContact O-SG 2.87Å; V304-F354 HydrophobicContact CG2-CB 4.36Å
305	S	94	Very high	92.2	Very high	53 Å²	53	28.8 Å²	28.8	37%	0.371	17%	0.171	S	C	.	.	H	α-helix	trans	-62	-46.8	-177.7	70.8	0	0	0	0	112.3	V301 T302 G307 C308 V309	V301-S305 VanDerWaalsContact O-CB 3.22Å; V301-S305 WeakPolarHBondContact O-CB 3.27Å; V301-S305 PolarHBondContact O-N 3.34Å; V301-S305 PolarHBondContact O-OG 3.42Å; T302-S305 WeakPolarHBondContact CA-OG 3.34Å; T302-S305 PolarHBondContact O-N 3.39Å; T302-S305 PolarHBondContact O-OG 2.95Å; S305-G307 PolarHBondContact O-N 3.37Å; S305-C308 PolarHBondContact O-N 3.44Å; S305-V309 WeakPolarHBondContact O-CG2 2.96Å; S305-V309 PolarHBondContact O-N 3.45Å
306	I	94.3	Very high	91.9	Very high	18 Å²	18	32.6 Å²	32.6	9%	0.092	19%	0.187	C	C	.	.	H	α-helix	trans	-69	-35.4	178	-61.1	171.8	0	0	0	111.1	T302 V304 V309 T310 M333 T337 F340	T302-I306 HydrophobicContact CG2-CD1 3.98Å; T302-I306 WeakPolarHBondContact O-CG1 3.36Å; T302-I306 PolarHBondContact O-N 3.06Å; V304-I306 PolarHBondContact O-N 3.35Å; I306-V309 PolarHBondContact O-N 3.36Å; I306-T310 PolarHBondContact O-N 3.45Å; I306-T310 PolarHBondContact O-OG1 2.94Å; I306-M333 HydrophobicContact CG2-CE 3.93Å; I306-T337 HydrophobicContact CB-CG2 4.48Å; I306-T337 HydrophobicContact CD1-CG2 4.17Å; I306-T337 WeakPolarHBondContact CG2-OG1 3.42Å; I306-F340 HydrophobicContact CD1-CB 4.12Å; I306-F340 HydrophobicContact CD1-CD1 3.72Å; I306-F340 HydrophobicContact CD1-CG 4.15Å
307	G	94	Very high	91.4	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.5	-43.6	171.4	0	0	0	0	0	112.6	G303 V304 S305 T310 S311	G303-G307 PolarHBondContact O-N 3.4Å; V304-G307 PolarHBondContact O-N 3.01Å; S305-G307 PolarHBondContact O-N 3.37Å; G307-T310 WeakPolarHBondContact O-CB 3.3Å; G307-T310 PolarHBondContact O-N 2.96Å; G307-S311 PolarHBondContact O-N 3.49Å
308	C	93.1	Very high	90.7	Very high	23 Å²	23	37.4 Å²	37.4	16%	0.155	21%	0.206	C	C	.	.	H	α-helix	trans	-65.2	-43.8	174.8	-68.8	0	0	0	0	112.1	V304 S305 T310 S311 L312 L603	V304-C308 WeakPolarHBondContact O-CB 3.32Å; V304-C308 PolarHBondContact O-N 2.9Å; V304-C308 PolarHBondContact O-SG 2.87Å; S305-C308 PolarHBondContact O-N 3.44Å; C308-T310 VanDerWaalsContact C-N 3.29Å; C308-T310 PolarHBondContact O-N 2.83Å; C308-S311 WeakPolarHBondContact O-CB 3.28Å; C308-S311 PolarHBondContact O-N 2.95Å; C308-S311 VanDerWaalsContact O-N 3.16Å; C308-L312 WeakPolarHBondContact O-CG 3.41Å; C308-L312 PolarHBondContact O-N 3.44Å; C308-L603 HydrophobicContact CB-CD1 4.19Å; C308-L603 HydrophobicContact CB-CD2 4.1Å
309	V	93.4	Very high	89.9	Confident	71 Å²	71	38.8 Å²	38.8	43%	0.43	21%	0.209	S	C	.	.	H	α-helix	trans	-59	-42.9	174.4	169.4	0	0	0	0	110.5	S305 I306 S311 L312 L313 M333	S305-V309 WeakPolarHBondContact O-CG2 2.96Å; S305-V309 PolarHBondContact O-N 3.45Å; I306-V309 PolarHBondContact O-N 3.36Å; V309-S311 VanDerWaalsContact C-N 3.32Å; V309-S311 PolarHBondContact O-N 3.34Å; V309-L312 PolarHBondContact O-N 3.17Å; V309-L313 HydrophobicContact CG1-CD1 3.89Å; V309-L313 HydrophobicContact CG1-CG 4.26Å; V309-L313 WeakPolarHBondContact O-CB 3.28Å; V309-L313 VanDerWaalsContact O-CG 3.3Å; V309-L313 WeakPolarHBondContact O-CG 3.39Å; V309-L313 PolarHBondContact O-N 3.02Å; V309-M333 HydrophobicContact CG1-CE 4.23Å
310	T	91.6	Very high	88.9	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.2	-44.4	175.9	-48.9	0	0	0	0	111	I306 G307 C308 L312 L313 T314 M333 Q359 T363	I306-T310 PolarHBondContact O-N 3.45Å; I306-T310 PolarHBondContact O-OG1 2.94Å; G307-T310 WeakPolarHBondContact O-CB 3.3Å; G307-T310 PolarHBondContact O-N 2.96Å; C308-T310 VanDerWaalsContact C-N 3.29Å; C308-T310 PolarHBondContact O-N 2.83Å; T310-L312 VanDerWaalsContact C-N 3.35Å; T310-L312 PolarHBondContact O-N 3.17Å; T310-L313 PolarHBondContact O-N 3.31Å; T310-T314 WeakPolarHBondContact O-CG2 3.17Å; T310-T314 PolarHBondContact O-N 3.08Å; T310-T314 PolarHBondContact O-OG1 3.11Å; T310-M333 HydrophobicContact CG2-CB 3.87Å; T310-M333 HydrophobicContact CG2-CG 4.15Å; T310-M333 WeakPolarHBondContact OG1-CB 3.29Å; T310-Q359 PolarHBondContact OG1-NE2 3.46Å; T310-Q359 VanDerWaalsContact OG1-NE2 3.07Å; T310-T363 HydrophobicContact CG2-CG2 3.94Å
311	S	91.4	Very high	88.3	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63.8	-37.7	177.5	-162.5	0	0	0	0	113.2	G307 C308 V309 T314 K315 Y362 T363 N366 L603	G307-S311 PolarHBondContact O-N 3.49Å; C308-S311 WeakPolarHBondContact O-CB 3.28Å; C308-S311 PolarHBondContact O-N 2.95Å; C308-S311 VanDerWaalsContact O-N 3.16Å; V309-S311 VanDerWaalsContact C-N 3.32Å; V309-S311 PolarHBondContact O-N 3.34Å; S311-T314 PolarHBondContact O-OG1 3.32Å; S311-K315 VanDerWaalsContact O-CB 3.31Å; S311-K315 WeakPolarHBondContact O-CB 3.4Å; S311-K315 PolarHBondContact O-N 3.3Å; S311-K315 VanDerWaalsContact O-N 3.11Å; S311-Y362 WeakPolarHBondContact OG-CB 3.3Å; S311-T363 PolarHBondContact N-OG1 3.28Å; S311-N366 PolarHBondContact O-ND2 3.42Å; S311-N366 VanDerWaalsContact O-ND2 3.12Å; S311-N366 PolarHBondContact OG-ND2 2.92Å; S311-L603 PolarHBondContact OG-O 3.47Å
312	L	90.4	Very high	88	Confident	50 Å²	50	45.3 Å²	45.3	26%	0.262	23%	0.234	S	C	.	.	H	α-helix	trans	-69.9	-42.1	175.8	-70.9	171.8	0	0	0	111.2	C308 V309 T310 K315 F316 L603	C308-L312 WeakPolarHBondContact O-CG 3.41Å; C308-L312 PolarHBondContact O-N 3.44Å; V309-L312 PolarHBondContact O-N 3.17Å; T310-L312 VanDerWaalsContact C-N 3.35Å; T310-L312 PolarHBondContact O-N 3.17Å; L312-K315 PolarHBondContact O-N 3.5Å; L312-F316 HydrophobicContact CB-CD2 4.35Å; L312-F316 HydrophobicContact CB-CE2 4.42Å; L312-F316 HydrophobicContact CD2-CE2 4.02Å; L312-F316 WeakPolarHBondContact O-CD2 3.37Å; L312-F316 PolarHBondContact O-N 2.64Å; L312-L603 HydrophobicContact CD1-CD2 4.21Å; L312-L603 HydrophobicContact CD2-CD2 3.78Å; L312-L603 HydrophobicContact CG-CD2 3.67Å
313	L	90.3	Very high	87.7	Confident	65 Å²	65	46.2 Å²	46.2	34%	0.34	24%	0.24	S	C	.	.	H	α-helix	trans	-57.1	-54.8	174.9	-74.6	171.1	0	0	0	109.7	V309 T310 K315 F316 T317 M333	V309-L313 HydrophobicContact CG1-CD1 3.89Å; V309-L313 HydrophobicContact CG1-CG 4.26Å; V309-L313 WeakPolarHBondContact O-CB 3.28Å; V309-L313 VanDerWaalsContact O-CG 3.3Å; V309-L313 WeakPolarHBondContact O-CG 3.39Å; V309-L313 PolarHBondContact O-N 3.02Å; T310-L313 PolarHBondContact O-N 3.31Å; L313-K315 PolarHBondContact O-N 3.12Å; L313-K315 VanDerWaalsContact O-N 3.16Å; L313-F316 PolarHBondContact O-N 2.98Å; L313-F316 VanDerWaalsContact O-N 3.17Å; L313-T317 PolarHBondContact O-N 2.85Å; L313-T317 PolarHBondContact O-OG1 3.47Å; L313-M333 HydrophobicContact CD1-CE 4.12Å; L313-M333 HydrophobicContact CD1-SD 4.25Å
314	T	88.3	Confident	87.5	Confident	4 Å²	4	52.9 Å²	52.9	3%	0.025	28%	0.275	C	S	.	.	H	α-helix	trans	-64.5	-21	179.6	60.1	0	0	0	0	114.4	T310 S311 T363	T310-T314 WeakPolarHBondContact O-CG2 3.17Å; T310-T314 PolarHBondContact O-N 3.08Å; T310-T314 PolarHBondContact O-OG1 3.11Å; S311-T314 PolarHBondContact O-OG1 3.32Å; T314-T363 HydrophobicContact CG2-CG2 3.97Å
315	K	85	Confident	87.4	Confident	7 Å²	7	55.8 Å²	55.8	3%	0.03	29%	0.288	C	S	.	.	H	α-helix	trans	-78.6	-43.2	173.7	178.5	172	175.6	171.6	0	112.4	S311 L312 L313 P601 L602 T604 T627	S311-K315 VanDerWaalsContact O-CB 3.31Å; S311-K315 WeakPolarHBondContact O-CB 3.4Å; S311-K315 PolarHBondContact O-N 3.3Å; S311-K315 VanDerWaalsContact O-N 3.11Å; L312-K315 PolarHBondContact O-N 3.5Å; L313-K315 PolarHBondContact O-N 3.12Å; L313-K315 VanDerWaalsContact O-N 3.16Å; K315-P601 PolarHBondContact NZ-O 2.77Å; K315-L602 PolarHBondContact NZ-O 2.82Å; K315-T604 PolarHBondContact NZ-O 3.33Å; K315-T627 HydrophobicContact CG-CG2 4.05Å
316	F	83.7	Confident	87.2	Confident	99 Å²	99	53.4 Å²	53.4	43%	0.434	27%	0.271	S	S	.	.	H	α-helix	trans	-87.2	-36.9	-174.9	-74.3	-62	0	0	0	113.3	L312 L313 H318 L625 T627	L312-F316 HydrophobicContact CB-CD2 4.35Å; L312-F316 HydrophobicContact CB-CE2 4.42Å; L312-F316 HydrophobicContact CD2-CE2 4.02Å; L312-F316 WeakPolarHBondContact O-CD2 3.37Å; L312-F316 PolarHBondContact O-N 2.64Å; L313-F316 PolarHBondContact O-N 2.98Å; L313-F316 VanDerWaalsContact O-N 3.17Å; F316-H318 PolarHBondContact O-N 2.79Å; F316-L625 HydrophobicContact CE2-CD2 4.48Å; F316-L625 HydrophobicContact CZ-CD2 3.87Å; F316-T627 HydrophobicContact CE1-CG2 4.46Å
317	T	80.5	Confident	87.1	Confident	52 Å²	52	53.5 Å²	53.5	32%	0.319	27%	0.273	S	S	.	.	S	Bend	trans	-80.9	109.7	172	58.6	0	0	0	0	107.1	L313 I319	L313-T317 PolarHBondContact O-N 2.85Å; L313-T317 PolarHBondContact O-OG1 3.47Å; T317-I319 VanDerWaalsContact CB-CD1 3.46Å; T317-I319 HydrophobicContact CG2-CD1 4.2Å; T317-I319 PolarHBondContact O-N 3.18Å; T317-I319 VanDerWaalsContact OG1-CD1 3.27Å; T317-I319 WeakPolarHBondContact OG1-CD1 3.06Å
318	H	75	Confident	87.1	Confident	100 Å²	100	55.6 Å²	55.6	46%	0.463	29%	0.29	S	S	.	.			trans	-71.5	47.4	177.4	-153.3	-86.7	0	0	0	110.9	F316 K320 E629	F316-H318 PolarHBondContact O-N 2.79Å; H318-K320 PolarHBondContact O-N 2.88Å; H318-E629 IonicContact CD2-OE1 3.77Å; H318-E629 IonicContact CE1-OE1 3.64Å; H318-E629 IonicContact NE2-OE1 3.84Å; H318-E629 PolarHBondContact NE2-OE1 2.87Å
319	I	77.5	Confident	87	Confident	44 Å²	44	56.6 Å²	56.6	23%	0.226	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-77.2	-1.6	-177.6	-64	170.8	0	0	0	110.8	T317 E321 H322 L325 E326 L329	T317-I319 VanDerWaalsContact CB-CD1 3.46Å; T317-I319 HydrophobicContact CG2-CD1 4.2Å; T317-I319 PolarHBondContact O-N 3.18Å; T317-I319 VanDerWaalsContact OG1-CD1 3.27Å; T317-I319 WeakPolarHBondContact OG1-CD1 3.06Å; I319-E321 PolarHBondContact O-N 3.44Å; I319-H322 CarbonylContact O-C 3.56Å; I319-H322 PolarHBondContact O-N 3.48Å; I319-L325 HydrophobicContact CG2-CB 3.67Å; I319-L325 HydrophobicContact CG2-CD2 4.37Å; I319-E326 HydrophobicContact CG2-CB 4.18Å; I319-L329 HydrophobicContact CD1-CD2 4.36Å
320	K	72.4	Confident	87.1	Confident	53 Å²	53	53.2 Å²	53.2	23%	0.23	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-55.4	-22.6	177.9	-61.3	-179.2	-168.7	169.9	0	113.1	H318 H322 N366 H605 E629	H318-K320 PolarHBondContact O-N 2.88Å; K320-H322 PolarHBondContact O-N 2.96Å; K320-N366 VanDerWaalsContact CE-O 3.22Å; K320-N366 WeakPolarHBondContact CE-O 3.32Å; K320-H605 PolarHBondContact NZ-NE2 2.8Å; K320-E629 IonicContact NZ-OE2 3.57Å; K320-E629 PolarHBondContact NZ-OE2 3.42Å; K320-E629 VanDerWaalsContact NZ-OE2 3.15Å
321	E	80.4	Confident	87.1	Confident	141 Å²	141	54.4 Å²	54.4	66%	0.659	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-66.8	-23.6	173.9	-60.4	-174.8	168.5	0	0	113.2	I319	I319-E321 PolarHBondContact O-N 3.44Å
322	H	88.9	Confident	87.3	Confident	118 Å²	118	60.1 Å²	60.1	55%	0.546	31%	0.31	S	S	.	.			trans	-123	88.5	-179.2	-64.6	-48.7	0	0	0	111.1	I319 K320 L324 L325 E326	I319-H322 CarbonylContact O-C 3.56Å; I319-H322 PolarHBondContact O-N 3.48Å; K320-H322 PolarHBondContact O-N 2.96Å; H322-L324 PolarHBondContact O-N 2.98Å; H322-L325 HydrophobicContact CB-CB 4.13Å; H322-L325 PolarHBondContact O-N 3.33Å; H322-E326 PolarHBondContact O-N 3.25Å; H322-E326 VanDerWaalsContact O-N 3.15Å
323	P	88.7	Confident	87.5	Confident	31 Å²	31	59.4 Å²	59.4	20%	0.201	31%	0.306	C	S	.	.	H	α-helix	trans	-60.6	-31.4	-174.4	22.4	-33.4	0	0	0	113.5	E326 T327 E370 S371	P323-E326 PolarHBondContact O-N 3.26Å; P323-T327 WeakPolarHBondContact O-CB 3.22Å; P323-T327 VanDerWaalsContact O-CG2 3.3Å; P323-T327 WeakPolarHBondContact O-CG2 3.33Å; P323-T327 PolarHBondContact O-N 3.27Å; P323-T327 PolarHBondContact O-OG1 2.98Å; P323-E370 HydrophobicContact CB-CB 4.3Å; P323-E370 HydrophobicContact CB-CG 4.09Å; P323-E370 HydrophobicContact CG-CG 4.35Å; P323-S371 WeakPolarHBondContact CA-OG 3.33Å; P323-S371 WeakPolarHBondContact CB-OG 3.49Å; P323-S371 PolarHBondContact O-OG 3.45Å
324	L	90.6	Very high	87.6	Confident	140 Å²	140	56.4 Å²	56.4	73%	0.733	29%	0.291	S	S	*	.	H	α-helix	trans	-63.7	-43.2	175.9	-172.2	74.4	0	0	0	112.3	H322 T327 A328	H322-L324 PolarHBondContact O-N 2.98Å; L324-T327 WeakPolarHBondContact CA-OG1 3.26Å; L324-T327 PolarHBondContact O-OG1 3.49Å; L324-A328 VanDerWaalsContact O-CB 3.28Å; L324-A328 WeakPolarHBondContact O-CB 3Å; L324-A328 PolarHBondContact O-N 3.39Å
325	L	91.1	Very high	87.9	Confident	102 Å²	102	59.3 Å²	59.3	53%	0.534	30%	0.302	S	S	.	.	H	α-helix	trans	-70.1	-38.4	-180	-123.3	74.3	0	0	0	111	I319 H322 A328 L329	I319-L325 HydrophobicContact CG2-CB 3.67Å; I319-L325 HydrophobicContact CG2-CD2 4.37Å; H322-L325 HydrophobicContact CB-CB 4.13Å; H322-L325 PolarHBondContact O-N 3.33Å; L325-A328 PolarHBondContact O-N 3.13Å; L325-L329 WeakPolarHBondContact O-CB 3.27Å; L325-L329 PolarHBondContact O-N 3.04Å
326	E	91.6	Very high	88.3	Confident	4 Å²	4	61.5 Å²	61.5	2%	0.019	32%	0.318	C	S	.	.	H	α-helix	trans	-62.4	-49.1	176.8	-175.8	178.5	-144.3	0	0	111.5	I319 H322 P323 L329 F330 L367 S368 S371	I319-E326 HydrophobicContact CG2-CB 4.18Å; H322-E326 PolarHBondContact O-N 3.25Å; H322-E326 VanDerWaalsContact O-N 3.15Å; P323-E326 PolarHBondContact O-N 3.26Å; E326-L329 PolarHBondContact O-N 3.32Å; E326-F330 WeakPolarHBondContact O-CB 3.4Å; E326-F330 PolarHBondContact O-N 2.86Å; E326-L367 HydrophobicContact CG-CD2 3.52Å; E326-L367 VanDerWaalsContact OE1-CA 3.3Å; E326-L367 WeakPolarHBondContact OE1-CA 3.31Å; E326-L367 WeakPolarHBondContact OE1-CD2 3.34Å; E326-S368 PolarHBondContact OE1-N 3.46Å; E326-S368 WeakPolarHBondContact OE2-CB 3.49Å; E326-S368 PolarHBondContact OE2-N 2.83Å; E326-S368 PolarHBondContact OE2-OG 3.35Å; E326-S371 WeakPolarHBondContact OE2-CB 3.35Å; E326-S371 PolarHBondContact OE2-OG 3.31Å
327	T	91.8	Very high	88.9	Confident	19 Å²	19	56.8 Å²	56.8	12%	0.117	30%	0.297	C	S	.	.	H	α-helix	trans	-64.5	-40.3	176.6	51.5	0	0	0	0	112.2	P323 L324 F330 V331 W374	P323-T327 WeakPolarHBondContact O-CB 3.22Å; P323-T327 VanDerWaalsContact O-CG2 3.3Å; P323-T327 WeakPolarHBondContact O-CG2 3.33Å; P323-T327 PolarHBondContact O-N 3.27Å; P323-T327 PolarHBondContact O-OG1 2.98Å; L324-T327 WeakPolarHBondContact CA-OG1 3.26Å; L324-T327 PolarHBondContact O-OG1 3.49Å; T327-F330 WeakPolarHBondContact O-CB 3.49Å; T327-F330 PolarHBondContact O-N 3.28Å; T327-V331 WeakPolarHBondContact O-CG2 3.34Å; T327-V331 PolarHBondContact O-N 3.06Å; T327-W374 HydrophobicContact CG2-CB 3.91Å
328	A	92.7	Very high	89.5	Confident	45 Å²	45	54.4 Å²	54.4	37%	0.372	28%	0.282	S	S	.	.	H	α-helix	trans	-62.6	-46.1	175.4	0	0	0	0	0	112.1	L324 L325 F330 V331 L332	L324-A328 VanDerWaalsContact O-CB 3.28Å; L324-A328 WeakPolarHBondContact O-CB 3Å; L324-A328 PolarHBondContact O-N 3.39Å; L325-A328 PolarHBondContact O-N 3.13Å; A328-F330 VanDerWaalsContact C-N 3.32Å; A328-F330 PolarHBondContact O-N 3.43Å; A328-V331 PolarHBondContact O-N 3.36Å; A328-L332 WeakPolarHBondContact O-CB 3.47Å; A328-L332 VanDerWaalsContact O-CG 3.3Å; A328-L332 WeakPolarHBondContact O-CG 3.39Å; A328-L332 PolarHBondContact O-N 3.26Å
329	L	92.9	Very high	90.4	Very high	44 Å²	44	54.3 Å²	54.3	23%	0.23	29%	0.285	C	S	.	.	H	α-helix	trans	-59.5	-44.8	175.7	-179.3	65.9	0	0	0	111	I319 L325 E326 V331 L332 M333	I319-L329 HydrophobicContact CD1-CD2 4.36Å; L325-L329 WeakPolarHBondContact O-CB 3.27Å; L325-L329 PolarHBondContact O-N 3.04Å; E326-L329 PolarHBondContact O-N 3.32Å; L329-V331 PolarHBondContact O-N 2.88Å; L329-L332 PolarHBondContact O-N 2.83Å; L329-M333 HydrophobicContact CD1-CG 4.08Å; L329-M333 HydrophobicContact CG-CG 4.38Å; L329-M333 WeakPolarHBondContact O-CB 3.38Å; L329-M333 VanDerWaalsContact O-CG 3.25Å; L329-M333 WeakPolarHBondContact O-CG 3.38Å; L329-M333 PolarHBondContact O-N 3.49Å
330	F	93.4	Very high	91.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-56.3	-49.8	176.6	-177.7	-80.9	0	0	0	111.7	F165 Y169 E326 T327 A328 S334 Q359 T363 L367 T375 F379	F165-F330 AromaticContact CE1-CE1 3.7Å; F165-F330 HydrophobicContact CE1-CE1 3.7Å; F165-F330 HydrophobicContact CE1-CZ 4.18Å; F165-F330 AromaticContact CZ-CE1 3.52Å; F165-F330 HydrophobicContact CZ-CE1 3.52Å; F165-F330 AromaticContact CZ-CZ 3.7Å; F165-F330 HydrophobicContact CZ-CZ 3.7Å; Y169-F330 AromaticContact CD2-CZ 3.92Å; Y169-F330 HydrophobicContact CD2-CZ 3.92Å; Y169-F330 HydrophobicContact CE2-CE1 4.32Å; Y169-F330 HydrophobicContact CE2-CE2 4.15Å; Y169-F330 AromaticContact CE2-CZ 3.46Å; Y169-F330 HydrophobicContact CE2-CZ 3.46Å; Y169-F330 VanDerWaalsContact CE2-CZ 3.46Å; E326-F330 WeakPolarHBondContact O-CB 3.4Å; E326-F330 PolarHBondContact O-N 2.86Å; T327-F330 WeakPolarHBondContact O-CB 3.49Å; T327-F330 PolarHBondContact O-N 3.28Å; A328-F330 VanDerWaalsContact C-N 3.32Å; A328-F330 PolarHBondContact O-N 3.43Å; F330-S334 PolarHBondContact O-N 3.35Å; F330-S334 VanDerWaalsContact O-N 3.09Å; F330-Q359 HydrophobicContact CE2-CB 3.94Å; F330-Q359 HydrophobicContact CE2-CG 4.44Å; F330-Q359 HydrophobicContact CZ-CB 4Å; F330-T363 HydrophobicContact CD2-CG2 3.65Å; F330-T363 HydrophobicContact CE2-CG2 3.78Å; F330-L367 HydrophobicContact CD2-CD1 4.14Å; F330-L367 HydrophobicContact CD2-CD2 4.44Å; F330-L367 HydrophobicContact CE2-CD1 4.28Å; F330-T375 HydrophobicContact CD1-CG2 3.46Å; F330-T375 VanDerWaalsContact CD1-CG2 3.46Å; F330-T375 HydrophobicContact CE1-CG2 3.26Å; F330-T375 HydrophobicContact CE2-CG2 4.48Å; F330-T375 HydrophobicContact CG-CG2 4.19Å; F330-T375 HydrophobicContact CZ-CG2 3.82Å; F330-F379 AromaticContact CD1-CE2 3.86Å; F330-F379 HydrophobicContact CD1-CE2 3.86Å; F330-F379 HydrophobicContact CE1-CD2 4.35Å; F330-F379 AromaticContact CE1-CE2 3.59Å; F330-F379 HydrophobicContact CE1-CE2 3.59Å; F330-F379 HydrophobicContact CE1-CZ 4.35Å
331	V	93.4	Very high	92.3	Very high	24 Å²	24	54.8 Å²	54.8	15%	0.145	29%	0.285	C	S	.	.	H	α-helix	trans	-64.3	-47.5	179.7	173.8	0	0	0	0	110.9	T327 A328 L329 M333 S334 Y335 F378 F379	T327-V331 WeakPolarHBondContact O-CG2 3.34Å; T327-V331 PolarHBondContact O-N 3.06Å; A328-V331 PolarHBondContact O-N 3.36Å; L329-V331 PolarHBondContact O-N 2.88Å; V331-M333 VanDerWaalsContact C-N 3.35Å; V331-M333 PolarHBondContact O-N 3.02Å; V331-S334 PolarHBondContact O-N 3.5Å; V331-S334 PolarHBondContact O-OG 2.84Å; V331-Y335 HydrophobicContact CG1-CD2 3.89Å; V331-Y335 HydrophobicContact CG1-CE2 3.97Å; V331-Y335 WeakPolarHBondContact O-CD2 3.42Å; V331-Y335 PolarHBondContact O-N 3.24Å; V331-Y335 VanDerWaalsContact O-N 3.1Å; V331-F378 HydrophobicContact CG1-CE1 3.92Å; V331-F378 HydrophobicContact CG2-CD1 3.85Å; V331-F378 HydrophobicContact CG2-CE1 3.71Å; V331-F379 HydrophobicContact CB-CZ 4.4Å; V331-F379 HydrophobicContact CG1-CZ 4.38Å; V331-F379 HydrophobicContact CG2-CE2 3.87Å; V331-F379 HydrophobicContact CG2-CZ 3.84Å
332	L	94.5	Very high	92.9	Very high	121 Å²	121	52.3 Å²	52.3	63%	0.634	27%	0.274	S	S	*	.	H	α-helix	trans	-60.7	-42.4	-179.9	-72.2	170.7	0	0	0	112.4	A328 L329 S334 Y335 S336	A328-L332 WeakPolarHBondContact O-CB 3.47Å; A328-L332 VanDerWaalsContact O-CG 3.3Å; A328-L332 WeakPolarHBondContact O-CG 3.39Å; A328-L332 PolarHBondContact O-N 3.26Å; L329-L332 PolarHBondContact O-N 2.83Å; L332-S334 VanDerWaalsContact C-N 3.35Å; L332-S334 PolarHBondContact O-N 2.74Å; L332-Y335 PolarHBondContact O-N 2.91Å; L332-S336 WeakPolarHBondContact O-CB 3.33Å; L332-S336 PolarHBondContact O-N 3.43Å
333	M	93.9	Very high	93	Very high	34 Å²	34	50.8 Å²	50.8	17%	0.167	28%	0.281	C	S	.	.	H	α-helix	trans	-67.4	-35.5	178	-69.5	-57.9	-60.4	0	0	112.5	I306 V309 T310 L313 L329 V331 S336 T337	I306-M333 HydrophobicContact CG2-CE 3.93Å; V309-M333 HydrophobicContact CG1-CE 4.23Å; T310-M333 HydrophobicContact CG2-CB 3.87Å; T310-M333 HydrophobicContact CG2-CG 4.15Å; T310-M333 WeakPolarHBondContact OG1-CB 3.29Å; L313-M333 HydrophobicContact CD1-CE 4.12Å; L313-M333 HydrophobicContact CD1-SD 4.25Å; L329-M333 HydrophobicContact CD1-CG 4.08Å; L329-M333 HydrophobicContact CG-CG 4.38Å; L329-M333 WeakPolarHBondContact O-CB 3.38Å; L329-M333 VanDerWaalsContact O-CG 3.25Å; L329-M333 WeakPolarHBondContact O-CG 3.38Å; L329-M333 PolarHBondContact O-N 3.49Å; V331-M333 VanDerWaalsContact C-N 3.35Å; V331-M333 PolarHBondContact O-N 3.02Å; M333-S336 PolarHBondContact O-N 3.16Å; M333-T337 PolarHBondContact O-N 2.83Å; M333-T337 PolarHBondContact O-OG1 2.84Å; M333-T337 VanDerWaalsContact O-OG1 3.13Å
334	S	93.9	Very high	93.2	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.021	29%	0.293	C	S	.	.	H	α-helix	trans	-62.8	-45.8	174.6	72	0	0	0	0	112	F330 V331 L332 T337	F330-S334 PolarHBondContact O-N 3.35Å; F330-S334 VanDerWaalsContact O-N 3.09Å; V331-S334 PolarHBondContact O-N 3.5Å; V331-S334 PolarHBondContact O-OG 2.84Å; L332-S334 VanDerWaalsContact C-N 3.35Å; L332-S334 PolarHBondContact O-N 2.74Å; S334-T337 WeakPolarHBondContact O-CB 3.46Å; S334-T337 PolarHBondContact O-N 2.92Å
335	Y	94.1	Very high	93.1	Very high	65 Å²	65	48.3 Å²	48.3	26%	0.255	28%	0.28	S	S	.	.	H	α-helix	trans	-68.5	-37.2	175.9	-88.8	-82.1	0	0	0	112.8	P161 P162 V331 L332 T337 F338 L339	P161-Y335 HydrophobicContact CB-CD1 4.25Å; P161-Y335 HydrophobicContact CB-CE1 4.15Å; P162-Y335 HydrophobicContact CG-CE1 4.11Å; P162-Y335 HydrophobicContact CG-CE2 4.45Å; P162-Y335 WeakPolarHBondContact CG-OH 3.46Å; V331-Y335 HydrophobicContact CG1-CD2 3.89Å; V331-Y335 HydrophobicContact CG1-CE2 3.97Å; V331-Y335 WeakPolarHBondContact O-CD2 3.42Å; V331-Y335 PolarHBondContact O-N 3.24Å; V331-Y335 VanDerWaalsContact O-N 3.1Å; L332-Y335 PolarHBondContact O-N 2.91Å; Y335-T337 PolarHBondContact O-N 3.17Å; Y335-F338 WeakPolarHBondContact O-CB 3.37Å; Y335-F338 PolarHBondContact O-N 3.32Å; Y335-F338 VanDerWaalsContact O-N 3.08Å; Y335-L339 PolarHBondContact O-N 3.47Å
336	S	94	Very high	93.1	Very high	52 Å²	52	45.6 Å²	45.6	36%	0.364	27%	0.265	S	S	.	.	H	α-helix	trans	-56.5	-34.9	175.5	-179.6	0	0	0	0	111.6	L332 M333 F338 L339 F340	L332-S336 WeakPolarHBondContact O-CB 3.33Å; L332-S336 PolarHBondContact O-N 3.43Å; M333-S336 PolarHBondContact O-N 3.16Å; S336-F338 VanDerWaalsContact C-N 3.33Å; S336-F338 PolarHBondContact O-N 3.42Å; S336-L339 PolarHBondContact O-N 3.43Å; S336-F340 WeakPolarHBondContact O-CB 3.44Å; S336-F340 PolarHBondContact O-N 2.69Å
337	T	94.9	Very high	93	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58.8	-43.7	176.2	-55.9	0	0	0	0	112.6	I306 M333 S334 Y335 A341 S351 C355	I306-T337 HydrophobicContact CB-CG2 4.48Å; I306-T337 HydrophobicContact CD1-CG2 4.17Å; I306-T337 WeakPolarHBondContact CG2-OG1 3.42Å; M333-T337 PolarHBondContact O-N 2.83Å; M333-T337 PolarHBondContact O-OG1 2.84Å; M333-T337 VanDerWaalsContact O-OG1 3.13Å; S334-T337 WeakPolarHBondContact O-CB 3.46Å; S334-T337 PolarHBondContact O-N 2.92Å; Y335-T337 PolarHBondContact O-N 3.17Å; T337-A341 VanDerWaalsContact O-CB 3.3Å; T337-A341 WeakPolarHBondContact O-CB 3.21Å; T337-A341 PolarHBondContact O-N 3.35Å; T337-A341 VanDerWaalsContact O-N 3.13Å; T337-S351 WeakPolarHBondContact CG2-O 3.5Å; T337-C355 HydrophobicContact CG2-CB 3.65Å; T337-C355 PolarHBondContact OG1-SG 2.96Å
338	F	94.4	Very high	93	Very high	3 Å²	3	44.7 Å²	44.7	1%	0.013	26%	0.259	C	S	.	.	H	α-helix	trans	-62.2	-54.6	178.5	-175.4	-102	0	0	0	110.9	F156 N157 P161 Y335 S336 F340 A341 E342 I349 V352	F156-F338 WeakPolarHBondContact O-CE1 3.35Å; F156-F338 WeakPolarHBondContact O-CZ 3.41Å; N157-F338 WeakPolarHBondContact OD1-CE1 3.22Å; P161-F338 HydrophobicContact CB-CB 4.33Å; P161-F338 HydrophobicContact CB-CD2 4.34Å; P161-F338 HydrophobicContact CB-CG 4.18Å; P161-F338 HydrophobicContact CG-CB 4.34Å; P161-F338 HydrophobicContact CG-CD1 3.83Å; P161-F338 HydrophobicContact CG-CD2 3.9Å; P161-F338 HydrophobicContact CG-CE1 4.12Å; P161-F338 HydrophobicContact CG-CE2 4.17Å; P161-F338 HydrophobicContact CG-CG 3.72Å; P161-F338 HydrophobicContact CG-CZ 4.28Å; Y335-F338 WeakPolarHBondContact O-CB 3.37Å; Y335-F338 PolarHBondContact O-N 3.32Å; Y335-F338 VanDerWaalsContact O-N 3.08Å; S336-F338 VanDerWaalsContact C-N 3.33Å; S336-F338 PolarHBondContact O-N 3.42Å; F338-F340 PolarHBondContact O-N 3.48Å; F338-A341 PolarHBondContact O-N 2.87Å; F338-E342 HydrophobicContact CE1-CG 4.05Å; F338-E342 HydrophobicContact CE2-CG 4.36Å; F338-E342 HydrophobicContact CZ-CG 3.94Å; F338-E342 PolarHBondContact O-N 3.42Å; F338-I349 HydrophobicContact CE2-CG1 4.4Å; F338-V352 HydrophobicContact CB-CG2 3.35Å; F338-V352 HydrophobicContact CD2-CG2 3.7Å; F338-V352 HydrophobicContact CG-CG2 3.98Å
339	L	94.2	Very high	92.9	Very high	98 Å²	98	42.9 Å²	42.9	51%	0.513	24%	0.243	S	C	.	.	H	α-helix	trans	-65.4	-39.9	-174.3	-62.5	174.4	0	0	0	111.5	Y335 S336 A343	Y335-L339 PolarHBondContact O-N 3.47Å; S336-L339 PolarHBondContact O-N 3.43Å; L339-A343 VanDerWaalsContact O-CB 3.24Å; L339-A343 WeakPolarHBondContact O-CB 3.44Å; L339-A343 PolarHBondContact O-N 3.03Å
340	F	94.9	Very high	92.8	Very high	107 Å²	107	40.8 Å²	40.8	47%	0.469	23%	0.232	S	C	.	.	H	α-helix	trans	-65.3	-43.7	177.5	-178.5	-99.2	0	0	0	111.6	T302 I306 S336 F338 A343 V344	T302-F340 HydrophobicContact CG2-CD1 3.58Å; T302-F340 HydrophobicContact CG2-CE1 3.9Å; I306-F340 HydrophobicContact CD1-CB 4.12Å; I306-F340 HydrophobicContact CD1-CD1 3.72Å; I306-F340 HydrophobicContact CD1-CG 4.15Å; S336-F340 WeakPolarHBondContact O-CB 3.44Å; S336-F340 PolarHBondContact O-N 2.69Å; F338-F340 PolarHBondContact O-N 3.48Å; F340-A343 PolarHBondContact O-N 2.98Å; F340-V344 HydrophobicContact CD1-CG2 4.35Å; F340-V344 HydrophobicContact CE1-CG2 3.96Å; F340-V344 HydrophobicContact CE2-CG2 4.28Å; F340-V344 HydrophobicContact CZ-CG2 3.92Å; F340-V344 WeakPolarHBondContact O-CG2 3.49Å; F340-V344 PolarHBondContact O-N 2.95Å
341	A	94.6	Very high	92.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.9	-45.2	178.3	0	0	0	0	0	112.1	T302 T337 F338 A343 V344 G345 F346 S351	T302-A341 HydrophobicContact CG2-CB 4.19Å; T337-A341 VanDerWaalsContact O-CB 3.3Å; T337-A341 WeakPolarHBondContact O-CB 3.21Å; T337-A341 PolarHBondContact O-N 3.35Å; T337-A341 VanDerWaalsContact O-N 3.13Å; F338-A341 PolarHBondContact O-N 2.87Å; A341-A343 VanDerWaalsContact C-N 3.33Å; A341-A343 PolarHBondContact O-N 3.45Å; A341-V344 PolarHBondContact O-N 3.03Å; A341-G345 PolarHBondContact O-N 3.36Å; A341-F346 CarbonylContact C-O 3.53Å; A341-F346 HydrophobicContact CB-CB 4.45Å; A341-F346 CarbonylContact O-C 3.58Å; A341-F346 WeakPolarHBondContact O-CA 3.48Å; A341-F346 PolarHBondContact O-N 3.27Å; A341-F346 VanDerWaalsContact O-O 3.09Å; A341-S351 WeakPolarHBondContact CB-OG 3.14Å
342	E	91.5	Very high	92.8	Very high	88 Å²	88	39.7 Å²	39.7	41%	0.411	23%	0.226	S	C	.	.	H	α-helix	trans	-64	-37.3	175.3	-70.5	-67	147.9	0	0	111.8	F338 V344 G345 G348	F338-E342 HydrophobicContact CE1-CG 4.05Å; F338-E342 HydrophobicContact CE2-CG 4.36Å; F338-E342 HydrophobicContact CZ-CG 3.94Å; F338-E342 PolarHBondContact O-N 3.42Å; E342-V344 VanDerWaalsContact C-N 3.34Å; E342-V344 PolarHBondContact O-N 2.7Å; E342-G345 PolarHBondContact O-N 2.87Å; E342-G348 WeakPolarHBondContact OE1-CA 3.41Å; E342-G348 PolarHBondContact OE1-N 2.88Å
343	A	92.5	Very high	92.7	Very high	86 Å²	86	34.4 Å²	34.4	71%	0.711	20%	0.198	S	C	*	.	H	α-helix	trans	-65.1	-34.3	176.2	0	0	0	0	0	113.3	L339 F340 A341 G345	L339-A343 VanDerWaalsContact O-CB 3.24Å; L339-A343 WeakPolarHBondContact O-CB 3.44Å; L339-A343 PolarHBondContact O-N 3.03Å; F340-A343 PolarHBondContact O-N 2.98Å; A341-A343 VanDerWaalsContact C-N 3.33Å; A341-A343 PolarHBondContact O-N 3.45Å; A343-G345 PolarHBondContact O-N 3.13Å
344	V	92.1	Very high	92.6	Very high	74 Å²	74	34 Å²	34	45%	0.448	20%	0.195	S	C	.	.	H	α-helix	trans	-74.5	-13.1	173.7	174.3	0	0	0	0	111.7	F340 A341 E342 F346	F340-V344 HydrophobicContact CD1-CG2 4.35Å; F340-V344 HydrophobicContact CE1-CG2 3.96Å; F340-V344 HydrophobicContact CE2-CG2 4.28Å; F340-V344 HydrophobicContact CZ-CG2 3.92Å; F340-V344 WeakPolarHBondContact O-CG2 3.49Å; F340-V344 PolarHBondContact O-N 2.95Å; A341-V344 PolarHBondContact O-N 3.03Å; E342-V344 VanDerWaalsContact C-N 3.34Å; E342-V344 PolarHBondContact O-N 2.7Å; V344-F346 HydrophobicContact CB-CD2 4.18Å; V344-F346 HydrophobicContact CG1-CD2 3.55Å; V344-F346 HydrophobicContact CG1-CE2 3.51Å; V344-F346 HydrophobicContact CG1-CG 4.11Å; V344-F346 HydrophobicContact CG1-CZ 4.03Å
345	G	89.3	Confident	92.6	Very high	45 Å²	45	33.9 Å²	33.9	46%	0.464	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	18.9	-173.5	0	0	0	0	0	113	M295 A341 E342 A343	M295-G345 WeakPolarHBondContact CE-O 3.44Å; A341-G345 PolarHBondContact O-N 3.36Å; E342-G345 PolarHBondContact O-N 2.87Å; A343-G345 PolarHBondContact O-N 3.13Å
346	F	91	Very high	92.5	Very high	46 Å²	46	30.8 Å²	30.8	20%	0.202	18%	0.182	C	C	.	.	S	Bend	trans	-91.2	168.3	167.3	-67.3	-32.8	0	0	0	110.8	I294 M295 S299 A341 V344 G348	I294-F346 HydrophobicContact CG2-CE1 4.47Å; M295-F346 HydrophobicContact SD-CD1 4.11Å; S299-F346 WeakPolarHBondContact OG-CB 3.47Å; A341-F346 CarbonylContact C-O 3.53Å; A341-F346 HydrophobicContact CB-CB 4.45Å; A341-F346 CarbonylContact O-C 3.58Å; A341-F346 WeakPolarHBondContact O-CA 3.48Å; A341-F346 PolarHBondContact O-N 3.27Å; A341-F346 VanDerWaalsContact O-O 3.09Å; V344-F346 HydrophobicContact CB-CD2 4.18Å; V344-F346 HydrophobicContact CG1-CD2 3.55Å; V344-F346 HydrophobicContact CG1-CE2 3.51Å; V344-F346 HydrophobicContact CG1-CG 4.11Å; V344-F346 HydrophobicContact CG1-CZ 4.03Å; F346-G348 PolarHBondContact O-N 2.73Å
347	T	89.4	Confident	92.3	Very high	4 Å²	4	28.7 Å²	28.7	3%	0.025	17%	0.167	C	C	.	.			trans	-75.2	119.4	175.2	69.2	0	0	0	0	110.2	I263 M295 S299 I349 V350 S351	I263-T347 HydrophobicContact CG2-CG2 4.35Å; M295-T347 HydrophobicContact CE-CG2 4.28Å; S299-T347 WeakPolarHBondContact CB-O 3.24Å; S299-T347 WeakPolarHBondContact OG-CA 3.36Å; S299-T347 PolarHBondContact OG-N 3.13Å; S299-T347 PolarHBondContact OG-O 2.86Å; S299-T347 PolarHBondContact OG-OG1 2.87Å; T347-I349 VanDerWaalsContact C-N 3.26Å; T347-I349 PolarHBondContact O-N 3.31Å; T347-V350 WeakPolarHBondContact OG1-CB 3.32Å; T347-V350 VanDerWaalsContact OG1-CG2 3.25Å; T347-V350 WeakPolarHBondContact OG1-CG2 3.35Å; T347-S351 PolarHBondContact O-OG 3.25Å
348	G	91.5	Very high	92.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65.2	-31.9	177.2	0	0	0	0	0	112.7	E342 F346 S351 V352	E342-G348 WeakPolarHBondContact OE1-CA 3.41Å; E342-G348 PolarHBondContact OE1-N 2.88Å; F346-G348 PolarHBondContact O-N 2.73Å; G348-S351 PolarHBondContact O-N 3.36Å; G348-V352 WeakPolarHBondContact O-CG2 3.47Å; G348-V352 PolarHBondContact O-N 3.5Å
349	I	90.1	Very high	92	Very high	6 Å²	6	29.1 Å²	29.1	3%	0.031	17%	0.17	C	C	.	.	H	α-helix	trans	-61	-51.2	-177.8	-68.1	153.7	0	0	0	112.3	L160 I164 A260 I263 F338 T347 S351 L353 M515	L160-I349 HydrophobicContact CD2-CD1 3.97Å; L160-I349 HydrophobicContact CD2-CG1 3.8Å; I164-I349 HydrophobicContact CD1-CB 4.14Å; I164-I349 HydrophobicContact CD1-CG1 3.96Å; I164-I349 HydrophobicContact CD1-CG2 3.72Å; A260-I349 HydrophobicContact CB-CG2 3.89Å; I263-I349 HydrophobicContact CD1-CD1 3.32Å; F338-I349 HydrophobicContact CE2-CG1 4.4Å; T347-I349 VanDerWaalsContact C-N 3.26Å; T347-I349 PolarHBondContact O-N 3.31Å; I349-S351 VanDerWaalsContact C-N 3.32Å; I349-S351 PolarHBondContact O-N 2.83Å; I349-L353 PolarHBondContact O-N 3.13Å; I349-L353 VanDerWaalsContact O-N 3.13Å; I349-M515 HydrophobicContact CD1-CE 3.98Å; I349-M515 HydrophobicContact CG1-CE 4.47Å
350	V	90.7	Very high	91.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.9	-45.6	176	173.1	0	0	0	0	110	A260 F296 T347 V352 L353 F354	A260-V350 HydrophobicContact CB-CB 4.43Å; A260-V350 HydrophobicContact CB-CG2 3.21Å; F296-V350 HydrophobicContact CD2-CG2 4.1Å; F296-V350 HydrophobicContact CE2-CG1 4.33Å; F296-V350 HydrophobicContact CE2-CG2 4.1Å; T347-V350 WeakPolarHBondContact OG1-CB 3.32Å; T347-V350 VanDerWaalsContact OG1-CG2 3.25Å; T347-V350 WeakPolarHBondContact OG1-CG2 3.35Å; V350-V352 PolarHBondContact O-N 3.48Å; V350-L353 PolarHBondContact O-N 2.82Å; V350-F354 HydrophobicContact CG1-CD2 3.58Å; V350-F354 HydrophobicContact CG1-CE2 3.72Å; V350-F354 VanDerWaalsContact O-CD2 3.28Å; V350-F354 WeakPolarHBondContact O-CD2 3.2Å; V350-F354 PolarHBondContact O-N 2.85Å
351	S	94.1	Very high	91.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.5	-45.5	-176.2	-52.6	0	0	0	0	111.6	S299 G303 T337 A341 T347 G348 I349 F354 C355	S299-S351 WeakPolarHBondContact CA-OG 3.34Å; S299-S351 WeakPolarHBondContact CB-OG 3.38Å; S299-S351 PolarHBondContact O-OG 3.32Å; S299-S351 VanDerWaalsContact O-OG 3.07Å; G303-S351 WeakPolarHBondContact CA-O 3.12Å; T337-S351 WeakPolarHBondContact CG2-O 3.5Å; A341-S351 WeakPolarHBondContact CB-OG 3.14Å; T347-S351 PolarHBondContact O-OG 3.25Å; G348-S351 PolarHBondContact O-N 3.36Å; I349-S351 VanDerWaalsContact C-N 3.32Å; I349-S351 PolarHBondContact O-N 2.83Å; S351-F354 PolarHBondContact O-N 3.21Å; S351-C355 WeakPolarHBondContact O-CB 3.49Å; S351-C355 PolarHBondContact O-N 3.41Å
352	V	94	Very high	91	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.012	13%	0.129	C	C	.	.	H	α-helix	trans	-64.5	-41.9	177	172.2	0	0	0	0	112.1	I164 F165 F338 G348 V350 C355 G356	I164-V352 HydrophobicContact CB-CG1 4.34Å; I164-V352 HydrophobicContact CG2-CG1 4.19Å; F165-V352 HydrophobicContact CB-CG1 3.7Å; F165-V352 HydrophobicContact CD2-CG1 4.15Å; F165-V352 HydrophobicContact CG-CG1 4.45Å; F338-V352 HydrophobicContact CB-CG2 3.35Å; F338-V352 HydrophobicContact CD2-CG2 3.7Å; F338-V352 HydrophobicContact CG-CG2 3.98Å; G348-V352 WeakPolarHBondContact O-CG2 3.47Å; G348-V352 PolarHBondContact O-N 3.5Å; V350-V352 PolarHBondContact O-N 3.48Å; V352-C355 PolarHBondContact O-N 3.04Å; V352-G356 PolarHBondContact O-N 3.29Å
353	L	91.1	Very high	90.9	Very high	9 Å²	9	16.4 Å²	16.4	5%	0.047	11%	0.11	C	C	.	.	H	α-helix	trans	-58.5	-52.4	177.4	177.1	65.8	0	0	0	110.9	I164 F252 V256 L257 I349 V350 C355 G356 V357	I164-L353 HydrophobicContact CG2-CB 3.79Å; I164-L353 HydrophobicContact CG2-CD1 4.25Å; F252-L353 HydrophobicContact CZ-CD1 4.44Å; V256-L353 HydrophobicContact CB-CD2 4.38Å; V256-L353 HydrophobicContact CG1-CD1 3.94Å; V256-L353 HydrophobicContact CG1-CD2 3.87Å; V256-L353 HydrophobicContact CG1-CG 4.35Å; L257-L353 HydrophobicContact CD2-CD2 3.68Å; L257-L353 HydrophobicContact CG-CD2 4.12Å; I349-L353 PolarHBondContact O-N 3.13Å; I349-L353 VanDerWaalsContact O-N 3.13Å; V350-L353 PolarHBondContact O-N 2.82Å; L353-C355 VanDerWaalsContact C-N 3.34Å; L353-C355 PolarHBondContact O-N 3.39Å; L353-G356 PolarHBondContact O-N 3.45Å; L353-V357 WeakPolarHBondContact O-CG2 3.25Å; L353-V357 PolarHBondContact O-N 2.9Å
354	F	91.3	Very high	90.7	Very high	26 Å²	26	15.4 Å²	15.4	11%	0.114	9%	0.088	C	C	.	.	H	α-helix	trans	-71.3	-30	-178.4	-76.1	-70.7	0	0	0	112.7	L257 F296 F300 V304 V350 S351 T358	L257-F354 HydrophobicContact CD2-CE2 3.88Å; L257-F354 HydrophobicContact CD2-CZ 3.87Å; F296-F354 HydrophobicContact CZ-CE2 4.47Å; F300-F354 HydrophobicContact CB-CD2 4.46Å; F300-F354 HydrophobicContact CD2-CB 4.33Å; F300-F354 AromaticContact CD2-CD1 3.57Å; F300-F354 HydrophobicContact CD2-CD1 3.57Å; F300-F354 AromaticContact CD2-CD2 3.6Å; F300-F354 HydrophobicContact CD2-CD2 3.6Å; F300-F354 AromaticContact CD2-CE1 3.63Å; F300-F354 HydrophobicContact CD2-CE1 3.63Å; F300-F354 AromaticContact CD2-CE2 3.66Å; F300-F354 HydrophobicContact CD2-CE2 3.66Å; F300-F354 AromaticContact CD2-CG 3.55Å; F300-F354 HydrophobicContact CD2-CG 3.55Å; F300-F354 AromaticContact CD2-CZ 3.67Å; F300-F354 HydrophobicContact CD2-CZ 3.67Å; F300-F354 AromaticContact CE2-CD1 3.49Å; F300-F354 HydrophobicContact CE2-CD1 3.49Å; F300-F354 VanDerWaalsContact CE2-CD1 3.49Å; F300-F354 HydrophobicContact CE2-CD2 4.38Å; F300-F354 AromaticContact CE2-CE1 3.52Å; F300-F354 HydrophobicContact CE2-CE1 3.52Å; F300-F354 HydrophobicContact CE2-CE2 4.41Å; F300-F354 AromaticContact CE2-CG 3.94Å; F300-F354 HydrophobicContact CE2-CG 3.94Å; F300-F354 HydrophobicContact CE2-CZ 4Å; V304-F354 HydrophobicContact CG2-CB 4.36Å; V350-F354 HydrophobicContact CG1-CD2 3.58Å; V350-F354 HydrophobicContact CG1-CE2 3.72Å; V350-F354 VanDerWaalsContact O-CD2 3.28Å; V350-F354 WeakPolarHBondContact O-CD2 3.2Å; V350-F354 PolarHBondContact O-N 2.85Å; S351-F354 PolarHBondContact O-N 3.21Å; F354-T358 WeakPolarHBondContact O-CB 3.47Å; F354-T358 PolarHBondContact O-N 2.68Å; F354-T358 PolarHBondContact O-OG1 2.72Å
355	C	94	Very high	90.5	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-64	-46.2	168.8	-179.8	0	0	0	0	111.3	G303 T337 S351 V352 L353 V357 T358 Q359	G303-C355 WeakPolarHBondContact O-CA 3.24Å; G303-C355 WeakPolarHBondContact O-CB 3.07Å; T337-C355 HydrophobicContact CG2-CB 3.65Å; T337-C355 PolarHBondContact OG1-SG 2.96Å; S351-C355 WeakPolarHBondContact O-CB 3.49Å; S351-C355 PolarHBondContact O-N 3.41Å; V352-C355 PolarHBondContact O-N 3.04Å; L353-C355 VanDerWaalsContact C-N 3.34Å; L353-C355 PolarHBondContact O-N 3.39Å; C355-V357 PolarHBondContact O-N 2.77Å; C355-T358 CarbonylContact O-C 3.57Å; C355-T358 PolarHBondContact O-N 3.41Å; C355-T358 VanDerWaalsContact O-N 3.16Å; C355-Q359 VanDerWaalsContact O-CB 3.3Å; C355-Q359 WeakPolarHBondContact O-CB 3.48Å; C355-Q359 WeakPolarHBondContact O-CG 3.46Å; C355-Q359 PolarHBondContact O-N 3.07Å; C355-Q359 VanDerWaalsContact SG-CD 3.56Å
356	G	92.5	Very high	90.3	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-59.2	-43.1	175.6	0	0	0	0	0	113.1	V352 L353 A360	V352-G356 PolarHBondContact O-N 3.29Å; L353-G356 PolarHBondContact O-N 3.45Å; G356-A360 VanDerWaalsContact O-CB 3.23Å; G356-A360 WeakPolarHBondContact O-CB 3.5Å; G356-A360 PolarHBondContact O-N 2.74Å
357	V	89.8	Confident	90.2	Very high	9 Å²	9	11 Å²	11	6%	0.055	5%	0.053	C	C	.	.	H	α-helix	trans	-64.3	-43.4	174.4	173.7	0	0	0	0	111.5	M171 F177 L353 C355 A360 H361	M171-V357 HydrophobicContact CE-CG2 4.02Å; F177-V357 HydrophobicContact CE2-CG1 4.31Å; F177-V357 HydrophobicContact CZ-CG1 3.74Å; L353-V357 WeakPolarHBondContact O-CG2 3.25Å; L353-V357 PolarHBondContact O-N 2.9Å; C355-V357 PolarHBondContact O-N 2.77Å; V357-A360 PolarHBondContact O-N 3.19Å; V357-H361 WeakPolarHBondContact O-CB 3.11Å; V357-H361 PolarHBondContact O-N 2.87Å
358	T	90.2	Very high	90.2	Very high	11 Å²	11	12 Å²	12	7%	0.067	6%	0.061	C	C	.	.	H	α-helix	trans	-66.3	-45.8	179.4	-61.1	0	0	0	0	111	F354 C355 H361 Y362	F354-T358 WeakPolarHBondContact O-CB 3.47Å; F354-T358 PolarHBondContact O-N 2.68Å; F354-T358 PolarHBondContact O-OG1 2.72Å; C355-T358 CarbonylContact O-C 3.57Å; C355-T358 PolarHBondContact O-N 3.41Å; C355-T358 VanDerWaalsContact O-N 3.16Å; T358-H361 PolarHBondContact O-N 2.62Å; T358-H361 VanDerWaalsContact O-N 3.08Å; T358-Y362 HydrophobicContact CG2-CD2 3.57Å; T358-Y362 HydrophobicContact CG2-CE2 3.87Å; T358-Y362 WeakPolarHBondContact O-CD2 3.33Å; T358-Y362 PolarHBondContact O-N 3.5Å
359	Q	92.2	Very high	90.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.092	C	C	.	.	I	π-helix	trans	-66.3	-38.6	177.3	-73.9	-176.4	-22.4	0	0	111.6	T310 F330 C355 H361 T363 Y364	T310-Q359 PolarHBondContact OG1-NE2 3.46Å; T310-Q359 VanDerWaalsContact OG1-NE2 3.07Å; F330-Q359 HydrophobicContact CE2-CB 3.94Å; F330-Q359 HydrophobicContact CE2-CG 4.44Å; F330-Q359 HydrophobicContact CZ-CB 4Å; C355-Q359 VanDerWaalsContact O-CB 3.3Å; C355-Q359 WeakPolarHBondContact O-CB 3.48Å; C355-Q359 WeakPolarHBondContact O-CG 3.46Å; C355-Q359 PolarHBondContact O-N 3.07Å; C355-Q359 VanDerWaalsContact SG-CD 3.56Å; Q359-H361 PolarHBondContact O-N 3.09Å; Q359-T363 CarbonylContact O-C 3.59Å; Q359-T363 WeakPolarHBondContact O-CA 3.18Å; Q359-T363 WeakPolarHBondContact O-CB 3.32Å; Q359-T363 PolarHBondContact O-N 3.46Å; Q359-Y364 PolarHBondContact O-N 3.29Å
360	A	89.7	Confident	90.1	Very high	3 Å²	3	23.7 Å²	23.7	3%	0.025	12%	0.115	C	C	.	.	I	π-helix	trans	-62	-32.4	171.1	0	0	0	0	0	112	Y169 R173 G356 V357 Y364	Y169-A360 HydrophobicContact CD2-CB 3.66Å; Y169-A360 HydrophobicContact CE2-CB 4.16Å; Y169-A360 HydrophobicContact CG-CB 4.37Å; R173-A360 WeakPolarHBondContact CD-O 3.5Å; R173-A360 PolarHBondContact NE-O 3.3Å; R173-A360 PolarHBondContact NH1-O 3.39Å; G356-A360 VanDerWaalsContact O-CB 3.23Å; G356-A360 WeakPolarHBondContact O-CB 3.5Å; G356-A360 PolarHBondContact O-N 2.74Å; V357-A360 PolarHBondContact O-N 3.19Å; A360-Y364 VanDerWaalsContact O-CB 3.29Å; A360-Y364 WeakPolarHBondContact O-CB 3.12Å
361	H	86.6	Confident	90.1	Very high	17 Å²	17	23.7 Å²	23.7	8%	0.079	12%	0.115	C	C	.	.	I	π-helix	trans	-82.7	-45.9	-177.8	-168.7	-92.7	0	0	0	113.4	V357 T358 Q359 N365 D595	V357-H361 WeakPolarHBondContact O-CB 3.11Å; V357-H361 PolarHBondContact O-N 2.87Å; T358-H361 PolarHBondContact O-N 2.62Å; T358-H361 VanDerWaalsContact O-N 3.08Å; Q359-H361 PolarHBondContact O-N 3.09Å; H361-N365 PolarHBondContact O-ND2 3.35Å; H361-N365 VanDerWaalsContact O-ND2 3.08Å; H361-D595 VanDerWaalsContact CE1-CG 3.46Å; H361-D595 IonicContact CE1-OD1 3.96Å; H361-D595 PolarHBondContact CE1-OD1 3.44Å; H361-D595 VanDerWaalsContact CE1-OD1 3.25Å; H361-D595 IonicContact CE1-OD2 3.92Å; H361-D595 PolarHBondContact CE1-OD2 3.15Å; H361-D595 IonicContact ND1-OD1 2.84Å; H361-D595 IonicContact NE2-OD2 2.76Å
362	Y	88.1	Confident	90	Very high	7 Å²	7	25 Å²	25	3%	0.027	12%	0.121	C	C	.	.	I	π-helix	trans	-103.2	-58.9	-175	-53.9	-71.3	0	0	0	112.1	S311 T358 Y364 N365 D595 L599 K600 L603 T604	S311-Y362 WeakPolarHBondContact OG-CB 3.3Å; T358-Y362 HydrophobicContact CG2-CD2 3.57Å; T358-Y362 HydrophobicContact CG2-CE2 3.87Å; T358-Y362 WeakPolarHBondContact O-CD2 3.33Å; T358-Y362 PolarHBondContact O-N 3.5Å; Y362-Y364 VanDerWaalsContact C-N 3.32Å; Y362-Y364 PolarHBondContact O-N 3Å; Y362-N365 PolarHBondContact O-N 2.97Å; Y362-D595 WeakPolarHBondContact CE1-OD1 3.32Å; Y362-D595 PolarHBondContact OH-OD1 3.2Å; Y362-L599 HydrophobicContact CD1-CG 4.49Å; Y362-L599 HydrophobicContact CE1-CB 4.11Å; Y362-L599 HydrophobicContact CE1-CD2 3.96Å; Y362-L599 HydrophobicContact CE1-CG 3.6Å; Y362-L599 HydrophobicContact CE2-CD2 4.15Å; Y362-L599 HydrophobicContact CE2-CG 4.42Å; Y362-L599 VanDerWaalsContact CZ-CD2 3.41Å; Y362-L599 WeakPolarHBondContact OH-CD2 3.41Å; Y362-K600 HydrophobicContact CE1-CG 4.47Å; Y362-L603 HydrophobicContact CD1-CB 4.01Å; Y362-L603 HydrophobicContact CD1-CD1 3.72Å; Y362-L603 HydrophobicContact CD1-CG 4.47Å; Y362-L603 HydrophobicContact CD2-CD1 3.81Å; Y362-L603 HydrophobicContact CE1-CD1 4.08Å; Y362-L603 HydrophobicContact CE2-CD1 4.18Å; Y362-L603 HydrophobicContact CG-CB 4.17Å; Y362-L603 HydrophobicContact CG-CD1 3.59Å; Y362-T604 HydrophobicContact CD1-CG2 4.39Å; Y362-T604 WeakPolarHBondContact O-CG2 3.39Å
363	T	89.4	Confident	89.9	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.147	C	C	.	.	I	π-helix	trans	-61.3	-40.2	-173.6	-49.2	0	0	0	0	111.8	T310 S311 T314 F330 Q359 N365 N366 L367	T310-T363 HydrophobicContact CG2-CG2 3.94Å; S311-T363 PolarHBondContact N-OG1 3.28Å; T314-T363 HydrophobicContact CG2-CG2 3.97Å; F330-T363 HydrophobicContact CD2-CG2 3.65Å; F330-T363 HydrophobicContact CE2-CG2 3.78Å; Q359-T363 CarbonylContact O-C 3.59Å; Q359-T363 WeakPolarHBondContact O-CA 3.18Å; Q359-T363 WeakPolarHBondContact O-CB 3.32Å; Q359-T363 PolarHBondContact O-N 3.46Å; T363-N365 PolarHBondContact O-N 3.45Å; T363-N366 PolarHBondContact O-N 3.4Å; T363-L367 WeakPolarHBondContact O-CG 3.25Å; T363-L367 PolarHBondContact O-N 3.46Å
364	Y	88.5	Confident	89.9	Confident	64 Å²	64	36.8 Å²	36.8	25%	0.251	18%	0.175	S	C	.	.	H	α-helix	trans	-54.8	-36.9	179.3	-175.6	-107.3	0	0	0	113.1	Y169 Q359 A360 Y362 N366 L367 K372	Y169-Y364 HydrophobicContact CE2-CD2 4.36Å; Y169-Y364 AromaticContact CZ-CD2 3.9Å; Y169-Y364 WeakPolarHBondContact OH-CD2 3.12Å; Q359-Y364 PolarHBondContact O-N 3.29Å; A360-Y364 VanDerWaalsContact O-CB 3.29Å; A360-Y364 WeakPolarHBondContact O-CB 3.12Å; Y362-Y364 VanDerWaalsContact C-N 3.32Å; Y362-Y364 PolarHBondContact O-N 3Å; Y364-N366 VanDerWaalsContact C-N 3.31Å; Y364-N366 PolarHBondContact O-N 2.96Å; Y364-L367 HydrophobicContact CD2-CD1 4.42Å; Y364-L367 PolarHBondContact O-N 3.15Å; Y364-K372 HydrophobicContact CD2-CB 4.5Å; Y364-K372 HydrophobicContact CD2-CG 3.97Å; Y364-K372 HydrophobicContact CE1-CD 4.22Å; Y364-K372 HydrophobicContact CE1-CG 4.45Å; Y364-K372 HydrophobicContact CE2-CB 3.68Å; Y364-K372 HydrophobicContact CE2-CD 4.18Å; Y364-K372 HydrophobicContact CE2-CG 3.54Å; Y364-K372 WeakPolarHBondContact O-CE 3.04Å
365	N	86.6	Confident	89.9	Confident	63 Å²	63	35.6 Å²	35.6	34%	0.337	17%	0.17	S	C	.	.	H	α-helix	trans	-73.8	-27	-177.8	-61.9	-18.3	0	0	0	111.9	H361 Y362 T363 L367 T604	H361-N365 PolarHBondContact O-ND2 3.35Å; H361-N365 VanDerWaalsContact O-ND2 3.08Å; Y362-N365 PolarHBondContact O-N 2.97Å; T363-N365 PolarHBondContact O-N 3.45Å; N365-L367 VanDerWaalsContact C-N 3.35Å; N365-T604 HydrophobicContact CB-CG2 4.35Å
366	N	86.5	Confident	89.8	Confident	4 Å²	4	40.4 Å²	40.4	2%	0.021	19%	0.191	C	C	.	.	H	α-helix	trans	-79.4	-19.3	176.9	-64.6	-7.1	0	0	0	112.8	S311 K320 T363 Y364 L603 T604	S311-N366 PolarHBondContact O-ND2 3.42Å; S311-N366 VanDerWaalsContact O-ND2 3.12Å; S311-N366 PolarHBondContact OG-ND2 2.92Å; K320-N366 VanDerWaalsContact CE-O 3.22Å; K320-N366 WeakPolarHBondContact CE-O 3.32Å; T363-N366 PolarHBondContact O-N 3.4Å; Y364-N366 VanDerWaalsContact C-N 3.31Å; Y364-N366 PolarHBondContact O-N 2.96Å; N366-L603 PolarHBondContact ND2-O 3.13Å; N366-T604 WeakPolarHBondContact OD1-CA 3.24Å; N366-T604 VanDerWaalsContact OD1-CB 3.23Å; N366-T604 WeakPolarHBondContact OD1-CB 3.47Å
367	L	87.8	Confident	89.8	Confident	6 Å²	6	43.3 Å²	43.3	3%	0.031	21%	0.211	C	C	.	.	S	Bend	trans	-68.1	146.6	-177.5	-64.9	177.9	0	0	0	112.6	E326 F330 T363 Y364 N365 K372	E326-L367 HydrophobicContact CG-CD2 3.52Å; E326-L367 VanDerWaalsContact OE1-CA 3.3Å; E326-L367 WeakPolarHBondContact OE1-CA 3.31Å; E326-L367 WeakPolarHBondContact OE1-CD2 3.34Å; F330-L367 HydrophobicContact CD2-CD1 4.14Å; F330-L367 HydrophobicContact CD2-CD2 4.44Å; F330-L367 HydrophobicContact CE2-CD1 4.28Å; T363-L367 WeakPolarHBondContact O-CG 3.25Å; T363-L367 PolarHBondContact O-N 3.46Å; Y364-L367 HydrophobicContact CD2-CD1 4.42Å; Y364-L367 PolarHBondContact O-N 3.15Å; N365-L367 VanDerWaalsContact C-N 3.35Å; L367-K372 HydrophobicContact CB-CG 3.82Å; L367-K372 WeakPolarHBondContact O-CE 3.31Å; L367-K372 PolarHBondContact O-NZ 3.43Å
368	S	89.5	Confident	90	Very high	25 Å²	25	47 Å²	47	18%	0.175	23%	0.227	C	C	.	.			trans	-60.3	156.2	166.4	67.5	0	0	0	0	111.7	E326 E370 S371 K372	E326-S368 PolarHBondContact OE1-N 3.46Å; E326-S368 WeakPolarHBondContact OE2-CB 3.49Å; E326-S368 PolarHBondContact OE2-N 2.83Å; E326-S368 PolarHBondContact OE2-OG 3.35Å; S368-E370 VanDerWaalsContact C-N 3.26Å; S368-E370 PolarHBondContact O-N 3.43Å; S368-S371 PolarHBondContact O-N 2.92Å; S368-S371 VanDerWaalsContact OG-CB 3.27Å; S368-S371 WeakPolarHBondContact OG-CB 3.38Å; S368-S371 PolarHBondContact OG-N 2.93Å; S368-S371 PolarHBondContact OG-OG 3.08Å; S368-K372 VanDerWaalsContact O-CG 3.3Å; S368-K372 WeakPolarHBondContact O-CG 3.45Å; S368-K372 PolarHBondContact O-N 2.85Å
369	Q	89.2	Confident	90.1	Very high	141 Å²	141	46.6 Å²	46.6	66%	0.659	22%	0.224	S	C	*	.	H	α-helix	trans	-62.5	-35.5	-178.4	-65.8	-63.1	-12.5	0	0	112.6	V373	Q369-V373 PolarHBondContact O-N 2.66Å
370	E	91	Very high	89.9	Confident	110 Å²	110	52.2 Å²	52.2	51%	0.514	25%	0.25	S	C	.	.	H	α-helix	trans	-64.9	-52.7	174.1	-178.3	167.2	-171.9	0	0	110.7	P323 S368 K372 V373 W374	P323-E370 HydrophobicContact CB-CB 4.3Å; P323-E370 HydrophobicContact CB-CG 4.09Å; P323-E370 HydrophobicContact CG-CG 4.35Å; S368-E370 VanDerWaalsContact C-N 3.26Å; S368-E370 PolarHBondContact O-N 3.43Å; E370-K372 VanDerWaalsContact C-N 3.27Å; E370-K372 PolarHBondContact O-N 3.14Å; E370-V373 PolarHBondContact O-N 3.2Å; E370-W374 VanDerWaalsContact CG-CD1 3.46Å; E370-W374 VanDerWaalsContact O-CD1 3.28Å; E370-W374 PolarHBondContact O-N 3.28Å; E370-W374 PolarHBondContact OE1-NE1 3.45Å
371	S	90.5	Very high	90.1	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-57.7	-36.9	178	-65.9	0	0	0	0	113	P323 E326 S368 V373 W374 T375	P323-S371 WeakPolarHBondContact CA-OG 3.33Å; P323-S371 WeakPolarHBondContact CB-OG 3.49Å; P323-S371 PolarHBondContact O-OG 3.45Å; E326-S371 WeakPolarHBondContact OE2-CB 3.35Å; E326-S371 PolarHBondContact OE2-OG 3.31Å; S368-S371 PolarHBondContact O-N 2.92Å; S368-S371 VanDerWaalsContact OG-CB 3.27Å; S368-S371 WeakPolarHBondContact OG-CB 3.38Å; S368-S371 PolarHBondContact OG-N 2.93Å; S368-S371 PolarHBondContact OG-OG 3.08Å; S371-V373 VanDerWaalsContact C-N 3.3Å; S371-V373 PolarHBondContact O-N 2.99Å; S371-W374 PolarHBondContact O-N 3.03Å; S371-T375 VanDerWaalsContact O-CB 3.32Å; S371-T375 WeakPolarHBondContact O-CB 3.4Å; S371-T375 PolarHBondContact O-N 3.05Å; S371-T375 PolarHBondContact O-OG1 2.88Å
372	K	91.4	Very high	90.3	Very high	28 Å²	28	58.1 Å²	58.1	12%	0.122	28%	0.281	C	S	.	.	H	α-helix	trans	-56.3	-43	175.4	-75.6	172.9	178.3	158.9	0	112.6	Y364 L367 S368 E370 K376	Y364-K372 HydrophobicContact CD2-CB 4.5Å; Y364-K372 HydrophobicContact CD2-CG 3.97Å; Y364-K372 HydrophobicContact CE1-CD 4.22Å; Y364-K372 HydrophobicContact CE1-CG 4.45Å; Y364-K372 HydrophobicContact CE2-CB 3.68Å; Y364-K372 HydrophobicContact CE2-CD 4.18Å; Y364-K372 HydrophobicContact CE2-CG 3.54Å; Y364-K372 WeakPolarHBondContact O-CE 3.04Å; L367-K372 HydrophobicContact CB-CG 3.82Å; L367-K372 WeakPolarHBondContact O-CE 3.31Å; L367-K372 PolarHBondContact O-NZ 3.43Å; S368-K372 VanDerWaalsContact O-CG 3.3Å; S368-K372 WeakPolarHBondContact O-CG 3.45Å; S368-K372 PolarHBondContact O-N 2.85Å; E370-K372 VanDerWaalsContact C-N 3.27Å; E370-K372 PolarHBondContact O-N 3.14Å; K372-K376 WeakPolarHBondContact O-CB 3.36Å; K372-K376 PolarHBondContact O-N 3.06Å
373	V	91.7	Very high	90.4	Very high	94 Å²	94	59.5 Å²	59.5	57%	0.57	29%	0.289	S	S	*	.	H	α-helix	trans	-73	-45.8	179.7	176.8	0	0	0	0	110.3	Q369 E370 S371 K376 S377	Q369-V373 PolarHBondContact O-N 2.66Å; E370-V373 PolarHBondContact O-N 3.2Å; S371-V373 VanDerWaalsContact C-N 3.3Å; S371-V373 PolarHBondContact O-N 2.99Å; V373-K376 PolarHBondContact O-N 2.92Å; V373-S377 WeakPolarHBondContact O-CB 3.36Å; V373-S377 PolarHBondContact O-N 2.87Å; V373-S377 PolarHBondContact O-OG 2.69Å
374	W	91.5	Very high	90.3	Very high	164 Å²	164	63 Å²	63	62%	0.621	31%	0.305	S	S	*	.	H	α-helix	trans	-61.1	-50.5	-180	-84.2	98.4	0	0	0	112.2	T327 E370 S371 K376 S377 F378	T327-W374 HydrophobicContact CG2-CB 3.91Å; E370-W374 VanDerWaalsContact CG-CD1 3.46Å; E370-W374 VanDerWaalsContact O-CD1 3.28Å; E370-W374 PolarHBondContact O-N 3.28Å; E370-W374 PolarHBondContact OE1-NE1 3.45Å; S371-W374 PolarHBondContact O-N 3.03Å; W374-K376 VanDerWaalsContact C-N 3.35Å; W374-K376 PolarHBondContact O-N 2.81Å; W374-S377 PolarHBondContact O-N 3.25Å; W374-F378 VanDerWaalsContact O-CB 3.26Å; W374-F378 WeakPolarHBondContact O-CB 3.42Å; W374-F378 PolarHBondContact O-N 2.89Å
375	T	91.9	Very high	90.4	Very high	2 Å²	2	63.5 Å²	63.5	1%	0.012	31%	0.311	C	S	.	.	H	α-helix	trans	-58	-46.9	178.8	-62.9	0	0	0	0	111.4	Y169 F330 S371 F378 F379	Y169-T375 HydrophobicContact CE1-CG2 3.99Å; Y169-T375 WeakPolarHBondContact OH-CG2 3.49Å; F330-T375 HydrophobicContact CD1-CG2 3.46Å; F330-T375 VanDerWaalsContact CD1-CG2 3.46Å; F330-T375 HydrophobicContact CE1-CG2 3.26Å; F330-T375 HydrophobicContact CE2-CG2 4.48Å; F330-T375 HydrophobicContact CG-CG2 4.19Å; F330-T375 HydrophobicContact CZ-CG2 3.82Å; S371-T375 VanDerWaalsContact O-CB 3.32Å; S371-T375 WeakPolarHBondContact O-CB 3.4Å; S371-T375 PolarHBondContact O-N 3.05Å; S371-T375 PolarHBondContact O-OG1 2.88Å; T375-F378 PolarHBondContact O-N 3.46Å; T375-F379 HydrophobicContact CG2-CD2 3.85Å; T375-F379 HydrophobicContact CG2-CE2 3.92Å; T375-F379 VanDerWaalsContact O-CD2 3.28Å; T375-F379 WeakPolarHBondContact O-CD2 3.44Å; T375-F379 PolarHBondContact O-N 3.34Å; T375-F379 VanDerWaalsContact O-N 3.16Å
376	K	90.8	Very high	90.6	Very high	100 Å²	100	60.9 Å²	60.9	44%	0.435	30%	0.298	S	S	.	.	H	α-helix	trans	-62.2	-47.9	179.7	-174.1	177.7	178.7	-177.5	0	111.6	Y169 K372 V373 W374 F378 E380	Y169-K376 HydrophobicContact CE1-CB 4.38Å; K372-K376 WeakPolarHBondContact O-CB 3.36Å; K372-K376 PolarHBondContact O-N 3.06Å; V373-K376 PolarHBondContact O-N 2.92Å; W374-K376 VanDerWaalsContact C-N 3.35Å; W374-K376 PolarHBondContact O-N 2.81Å; K376-F378 VanDerWaalsContact C-N 3.34Å; K376-F378 PolarHBondContact O-N 3.36Å; K376-E380 WeakPolarHBondContact O-CB 3.1Å; K376-E380 PolarHBondContact O-N 3.47Å
377	S	92.4	Very high	90.6	Very high	62 Å²	62	61.9 Å²	61.9	43%	0.434	30%	0.302	S	S	.	.	H	α-helix	trans	-64.9	-38.8	-178.8	-52.8	0	0	0	0	112.1	V373 W374 E380 L381	V373-S377 WeakPolarHBondContact O-CB 3.36Å; V373-S377 PolarHBondContact O-N 2.87Å; V373-S377 PolarHBondContact O-OG 2.69Å; W374-S377 PolarHBondContact O-N 3.25Å; S377-E380 PolarHBondContact O-N 2.7Å; S377-L381 WeakPolarHBondContact O-CB 3.19Å; S377-L381 PolarHBondContact O-N 3.47Å
378	F	93.7	Very high	90.6	Very high	87 Å²	87	61.8 Å²	61.8	38%	0.382	30%	0.302	S	S	.	.	H	α-helix	trans	-63	-49.6	178.7	178.5	-103.7	0	0	0	112.1	V331 W374 T375 K376 E380 L381 L382	V331-F378 HydrophobicContact CG1-CE1 3.92Å; V331-F378 HydrophobicContact CG2-CD1 3.85Å; V331-F378 HydrophobicContact CG2-CE1 3.71Å; W374-F378 VanDerWaalsContact O-CB 3.26Å; W374-F378 WeakPolarHBondContact O-CB 3.42Å; W374-F378 PolarHBondContact O-N 2.89Å; T375-F378 PolarHBondContact O-N 3.46Å; K376-F378 VanDerWaalsContact C-N 3.34Å; K376-F378 PolarHBondContact O-N 3.36Å; F378-E380 VanDerWaalsContact C-N 3.34Å; F378-E380 PolarHBondContact O-N 2.82Å; F378-L381 PolarHBondContact O-N 3.46Å; F378-L382 HydrophobicContact CD1-CD1 3.98Å; F378-L382 HydrophobicContact CE1-CD1 3.33Å; F378-L382 HydrophobicContact CE1-CG 4.19Å; F378-L382 HydrophobicContact CE2-CD1 4.25Å; F378-L382 HydrophobicContact CE2-CG 4.39Å; F378-L382 HydrophobicContact CZ-CD1 3.5Å; F378-L382 HydrophobicContact CZ-CG 4.11Å; F378-L382 WeakPolarHBondContact O-CG 3.35Å; F378-L382 PolarHBondContact O-N 2.84Å
379	F	92.3	Very high	90.6	Very high	1 Å²	1	62.2 Å²	62.2	0%	0.004	30%	0.3	C	S	.	.	H	α-helix	trans	-70.6	-29.4	178.3	-78.5	-67.1	0	0	0	113.1	F165 S166 F330 V331 T375 N383	F165-F379 AromaticContact CD1-CD1 3.51Å; F165-F379 HydrophobicContact CD1-CD1 3.51Å; F165-F379 AromaticContact CD1-CD2 3.95Å; F165-F379 HydrophobicContact CD1-CD2 3.95Å; F165-F379 AromaticContact CD1-CE1 3.31Å; F165-F379 HydrophobicContact CD1-CE1 3.31Å; F165-F379 AromaticContact CD1-CE2 3.81Å; F165-F379 HydrophobicContact CD1-CE2 3.81Å; F165-F379 AromaticContact CD1-CG 3.82Å; F165-F379 HydrophobicContact CD1-CG 3.82Å; F165-F379 AromaticContact CD1-CZ 3.46Å; F165-F379 HydrophobicContact CD1-CZ 3.46Å; F165-F379 VanDerWaalsContact CD1-CZ 3.46Å; F165-F379 HydrophobicContact CE1-CD1 4.1Å; F165-F379 AromaticContact CE1-CD2 3.67Å; F165-F379 HydrophobicContact CE1-CD2 3.67Å; F165-F379 AromaticContact CE1-CE1 3.81Å; F165-F379 HydrophobicContact CE1-CE1 3.81Å; F165-F379 AromaticContact CE1-CE2 3.38Å; F165-F379 HydrophobicContact CE1-CE2 3.38Å; F165-F379 HydrophobicContact CE1-CG 4.03Å; F165-F379 AromaticContact CE1-CZ 3.43Å; F165-F379 HydrophobicContact CE1-CZ 3.43Å; F165-F379 VanDerWaalsContact CE1-CZ 3.43Å; F165-F379 HydrophobicContact CG-CD1 4.5Å; F165-F379 HydrophobicContact CG-CE1 4.11Å; F165-F379 HydrophobicContact CG-CZ 4.38Å; F165-F379 HydrophobicContact CZ-CE2 4.34Å; F165-F379 HydrophobicContact CZ-CZ 4.32Å; S166-F379 WeakPolarHBondContact CB-O 3.13Å; S166-F379 VanDerWaalsContact OG-C 3.27Å; S166-F379 PolarHBondContact OG-O 2.72Å; F330-F379 AromaticContact CD1-CE2 3.86Å; F330-F379 HydrophobicContact CD1-CE2 3.86Å; F330-F379 HydrophobicContact CE1-CD2 4.35Å; F330-F379 AromaticContact CE1-CE2 3.59Å; F330-F379 HydrophobicContact CE1-CE2 3.59Å; F330-F379 HydrophobicContact CE1-CZ 4.35Å; V331-F379 HydrophobicContact CB-CZ 4.4Å; V331-F379 HydrophobicContact CG1-CZ 4.38Å; V331-F379 HydrophobicContact CG2-CE2 3.87Å; V331-F379 HydrophobicContact CG2-CZ 3.84Å; T375-F379 HydrophobicContact CG2-CD2 3.85Å; T375-F379 HydrophobicContact CG2-CE2 3.92Å; T375-F379 VanDerWaalsContact O-CD2 3.28Å; T375-F379 WeakPolarHBondContact O-CD2 3.44Å; T375-F379 PolarHBondContact O-N 3.34Å; T375-F379 VanDerWaalsContact O-N 3.16Å; F379-N383 VanDerWaalsContact O-CB 3.24Å; F379-N383 WeakPolarHBondContact O-CB 3.35Å; F379-N383 PolarHBondContact O-N 3.09Å
380	E	89.3	Confident	90.7	Very high	118 Å²	118	55.7 Å²	55.7	55%	0.551	27%	0.27	S	S	*	.	H	α-helix	trans	-66.3	-44.1	172.5	-171.8	169.6	176.5	0	0	111.2	K376 S377 F378 N383 F384	K376-E380 WeakPolarHBondContact O-CB 3.1Å; K376-E380 PolarHBondContact O-N 3.47Å; S377-E380 PolarHBondContact O-N 2.7Å; F378-E380 VanDerWaalsContact C-N 3.34Å; F378-E380 PolarHBondContact O-N 2.82Å; E380-N383 PolarHBondContact O-N 3.41Å; E380-F384 WeakPolarHBondContact O-CB 3.46Å; E380-F384 PolarHBondContact O-N 3.46Å
381	L	92.5	Very high	90.6	Very high	111 Å²	111	50.6 Å²	50.6	58%	0.581	25%	0.246	S	C	*	.	H	α-helix	trans	-62.2	-48.1	174.1	175.8	63.6	0	0	0	112	S377 F378 N383 F384 L385	S377-L381 WeakPolarHBondContact O-CB 3.19Å; S377-L381 PolarHBondContact O-N 3.47Å; F378-L381 PolarHBondContact O-N 3.46Å; L381-N383 VanDerWaalsContact C-N 3.31Å; L381-N383 PolarHBondContact O-N 3.43Å; L381-F384 PolarHBondContact O-N 3.38Å; L381-L385 WeakPolarHBondContact O-CB 3.28Å; L381-L385 PolarHBondContact O-N 3.19Å
382	L	92.2	Very high	90.5	Very high	34 Å²	34	50.9 Å²	50.9	18%	0.178	25%	0.248	C	C	.	.	H	α-helix	trans	-62.3	-39.6	178.4	-76.3	-175.3	0	0	0	112	P162 F378 S386	P162-L382 HydrophobicContact CB-CB 4.06Å; P162-L382 HydrophobicContact CB-CD1 4.26Å; P162-L382 HydrophobicContact CG-CD1 4.39Å; F378-L382 HydrophobicContact CD1-CD1 3.98Å; F378-L382 HydrophobicContact CE1-CD1 3.33Å; F378-L382 HydrophobicContact CE1-CG 4.19Å; F378-L382 HydrophobicContact CE2-CD1 4.25Å; F378-L382 HydrophobicContact CE2-CG 4.39Å; F378-L382 HydrophobicContact CZ-CD1 3.5Å; F378-L382 HydrophobicContact CZ-CG 4.11Å; F378-L382 WeakPolarHBondContact O-CG 3.35Å; F378-L382 PolarHBondContact O-N 2.84Å; L382-S386 WeakPolarHBondContact O-CB 3.29Å; L382-S386 PolarHBondContact O-N 3.41Å; L382-S386 PolarHBondContact O-OG 3.17Å
383	N	89.2	Confident	90.4	Very high	36 Å²	36	50.4 Å²	50.4	19%	0.193	25%	0.246	C	C	.	.	H	α-helix	trans	-61.6	-51.2	175.8	-179.5	72	0	0	0	111	F379 E380 L381 L385 S386 E387	F379-N383 VanDerWaalsContact O-CB 3.24Å; F379-N383 WeakPolarHBondContact O-CB 3.35Å; F379-N383 PolarHBondContact O-N 3.09Å; E380-N383 PolarHBondContact O-N 3.41Å; L381-N383 VanDerWaalsContact C-N 3.31Å; L381-N383 PolarHBondContact O-N 3.43Å; N383-L385 VanDerWaalsContact C-N 3.33Å; N383-L385 PolarHBondContact O-N 3.3Å; N383-S386 PolarHBondContact O-N 2.91Å; N383-E387 VanDerWaalsContact O-CB 3.28Å; N383-E387 WeakPolarHBondContact O-CB 3.49Å; N383-E387 PolarHBondContact O-N 3.5Å
384	F	87.9	Confident	90.3	Very high	74 Å²	74	46 Å²	46	33%	0.325	22%	0.219	S	C	.	.	H	α-helix	trans	-57.1	-45.3	178.6	174.5	-94	0	0	0	112.5	V47 I50 E63 E380 L381 N388	V47-F384 HydrophobicContact CG2-CE1 3.94Å; V47-F384 HydrophobicContact CG2-CZ 4.38Å; I50-F384 HydrophobicContact CD1-CZ 4.26Å; E63-F384 WeakPolarHBondContact OE1-CD2 3.39Å; E63-F384 WeakPolarHBondContact OE1-CE2 3.09Å; E63-F384 WeakPolarHBondContact OE1-CZ 3.42Å; E380-F384 WeakPolarHBondContact O-CB 3.46Å; E380-F384 PolarHBondContact O-N 3.46Å; L381-F384 PolarHBondContact O-N 3.38Å; F384-N388 WeakPolarHBondContact O-CB 3.19Å; F384-N388 PolarHBondContact O-N 2.97Å; F384-N388 PolarHBondContact O-ND2 3.14Å; F384-N388 VanDerWaalsContact O-ND2 3.08Å
385	L	90.5	Very high	90.2	Very high	73 Å²	73	38.1 Å²	38.1	38%	0.382	19%	0.19	S	C	.	.	H	α-helix	trans	-66.6	-48.3	179.1	-175.1	71.4	0	0	0	111.7	L43 L381 N383 F389	L43-L385 HydrophobicContact CD1-CD1 3.48Å; L43-L385 VanDerWaalsContact CD1-CD1 3.48Å; L43-L385 HydrophobicContact CD1-CG 4.2Å; L43-L385 HydrophobicContact CD2-CD1 3.3Å; L43-L385 HydrophobicContact CG-CD1 3.91Å; L381-L385 WeakPolarHBondContact O-CB 3.28Å; L381-L385 PolarHBondContact O-N 3.19Å; N383-L385 VanDerWaalsContact C-N 3.33Å; N383-L385 PolarHBondContact O-N 3.3Å; L385-F389 VanDerWaalsContact O-CB 3.26Å; L385-F389 WeakPolarHBondContact O-CB 3.35Å; L385-F389 PolarHBondContact O-N 3.12Å
386	S	90.4	Very high	90.1	Very high	9 Å²	9	38.1 Å²	38.1	6%	0.063	19%	0.189	C	C	.	.	H	α-helix	trans	-67.7	-42	-175.2	-56.3	0	0	0	0	111.3	L382 N383 F389 V390	L382-S386 WeakPolarHBondContact O-CB 3.29Å; L382-S386 PolarHBondContact O-N 3.41Å; L382-S386 PolarHBondContact O-OG 3.17Å; N383-S386 PolarHBondContact O-N 2.91Å; S386-F389 PolarHBondContact O-N 2.87Å; S386-V390 WeakPolarHBondContact O-CB 3.2Å; S386-V390 WeakPolarHBondContact O-CG2 3.46Å; S386-V390 PolarHBondContact O-N 3.01Å
387	E	86.9	Confident	89.9	Confident	25 Å²	25	33.4 Å²	33.4	12%	0.117	17%	0.169	C	C	.	.	H	α-helix	trans	-62.8	-48.5	179	-175	169.7	179.3	0	0	111.7	T64 A236 N383 F389 V390 F391	T64-E387 HydrophobicContact CG2-CG 4.24Å; A236-E387 WeakPolarHBondContact CB-OE1 3.44Å; N383-E387 VanDerWaalsContact O-CB 3.28Å; N383-E387 WeakPolarHBondContact O-CB 3.49Å; N383-E387 PolarHBondContact O-N 3.5Å; E387-F389 PolarHBondContact O-N 3.27Å; E387-V390 PolarHBondContact O-N 3.47Å; E387-F391 HydrophobicContact CG-CD2 3.82Å; E387-F391 HydrophobicContact CG-CE2 3.52Å; E387-F391 WeakPolarHBondContact O-CD2 3.32Å; E387-F391 PolarHBondContact O-N 2.98Å; E387-F391 VanDerWaalsContact O-N 3.09Å
388	N	87.8	Confident	89.6	Confident	3 Å²	3	31 Å²	31	2%	0.016	15%	0.152	C	C	.	.	H	α-helix	trans	-62.5	-41.7	176.5	-81.2	-46.1	0	0	0	112.6	E63 S67 F384 V390 F391 A392	E63-N388 PolarHBondContact OE1-ND2 3.29Å; E63-N388 PolarHBondContact OE1-OD1 3.09Å; S67-N388 PolarHBondContact OG-OD1 3.46Å; S67-N388 VanDerWaalsContact OG-OD1 3.12Å; F384-N388 WeakPolarHBondContact O-CB 3.19Å; F384-N388 PolarHBondContact O-N 2.97Å; F384-N388 PolarHBondContact O-ND2 3.14Å; F384-N388 VanDerWaalsContact O-ND2 3.08Å; N388-V390 PolarHBondContact O-N 2.99Å; N388-F391 PolarHBondContact O-N 3.42Å; N388-A392 WeakPolarHBondContact O-CB 3.36Å; N388-A392 PolarHBondContact O-N 3.43Å
389	F	90.5	Very high	89.3	Confident	34 Å²	34	29.4 Å²	29.4	15%	0.149	15%	0.145	C	C	.	.	H	α-helix	trans	-58.8	-48.5	175.6	-179.2	-91.2	0	0	0	111.2	Y39 L43 F154 L159 L385 S386 E387 F391 A392 Y393	Y39-F389 HydrophobicContact CD1-CE2 4.48Å; Y39-F389 HydrophobicContact CG-CE2 4.32Å; L43-F389 HydrophobicContact CD1-CB 3.78Å; L43-F389 HydrophobicContact CD1-CD2 4.04Å; L43-F389 HydrophobicContact CD1-CG 4.43Å; F154-F389 AromaticContact CE1-CE1 3.84Å; F154-F389 HydrophobicContact CE1-CE1 3.84Å; F154-F389 HydrophobicContact CE1-CZ 4.15Å; L159-F389 HydrophobicContact CD1-CD1 3.5Å; L159-F389 VanDerWaalsContact CD1-CD1 3.5Å; L159-F389 HydrophobicContact CD1-CE1 3.6Å; L159-F389 HydrophobicContact CD2-CD1 3.95Å; L159-F389 HydrophobicContact CD2-CE1 4.36Å; L159-F389 HydrophobicContact CG-CD1 4.39Å; L385-F389 VanDerWaalsContact O-CB 3.26Å; L385-F389 WeakPolarHBondContact O-CB 3.35Å; L385-F389 PolarHBondContact O-N 3.12Å; S386-F389 PolarHBondContact O-N 2.87Å; E387-F389 PolarHBondContact O-N 3.27Å; F389-F391 PolarHBondContact O-N 3.25Å; F389-A392 PolarHBondContact O-N 3.49Å; F389-Y393 AromaticContact CE1-CD2 3.57Å; F389-Y393 HydrophobicContact CE1-CD2 3.57Å; F389-Y393 HydrophobicContact CE1-CE2 4.25Å; F389-Y393 HydrophobicContact CE1-CG 4.42Å; F389-Y393 AromaticContact CZ-CD2 3.62Å; F389-Y393 HydrophobicContact CZ-CD2 3.62Å; F389-Y393 HydrophobicContact CZ-CE2 4.09Å; F389-Y393 VanDerWaalsContact O-CB 3.3Å; F389-Y393 WeakPolarHBondContact O-CB 3.3Å; F389-Y393 PolarHBondContact O-N 3.39Å
390	V	89.8	Confident	88.7	Confident	4 Å²	4	29.8 Å²	29.8	2%	0.024	15%	0.147	C	C	.	.	H	α-helix	trans	-59.2	-45.5	-179.2	166.5	0	0	0	0	111.4	F155 L159 I163 S386 E387 N388 Y393 I394 A514	F155-V390 HydrophobicContact CD2-CG1 4.36Å; F155-V390 HydrophobicContact CD2-CG2 3.77Å; F155-V390 HydrophobicContact CE2-CB 4.39Å; F155-V390 HydrophobicContact CE2-CG1 3.76Å; F155-V390 HydrophobicContact CE2-CG2 3.61Å; L159-V390 HydrophobicContact CB-CG2 4.24Å; L159-V390 HydrophobicContact CD1-CG2 3.81Å; I163-V390 HydrophobicContact CD1-CG2 4.42Å; S386-V390 WeakPolarHBondContact O-CB 3.2Å; S386-V390 WeakPolarHBondContact O-CG2 3.46Å; S386-V390 PolarHBondContact O-N 3.01Å; E387-V390 PolarHBondContact O-N 3.47Å; N388-V390 PolarHBondContact O-N 2.99Å; V390-Y393 PolarHBondContact O-N 3.32Å; V390-I394 HydrophobicContact CG1-CD1 4Å; V390-I394 WeakPolarHBondContact O-CD1 3.48Å; V390-I394 VanDerWaalsContact O-CG1 3.28Å; V390-I394 WeakPolarHBondContact O-CG1 3.5Å; V390-I394 PolarHBondContact O-N 2.86Å; V390-A514 HydrophobicContact CG1-CB 3.04Å
391	F	88.8	Confident	88.3	Confident	4 Å²	4	24.8 Å²	24.8	2%	0.018	12%	0.124	C	C	.	.	H	α-helix	trans	-67.6	-40.8	178.3	-77	-59.6	0	0	0	113.1	T64 V68 T233 E387 N388 F389 Y393 I394 G395 V544	T64-F391 VanDerWaalsContact CB-CD2 3.44Å; T64-F391 HydrophobicContact CG2-CD2 3.53Å; T64-F391 HydrophobicContact CG2-CE2 3.52Å; V68-F391 HydrophobicContact CG2-CB 3.78Å; V68-F391 HydrophobicContact CG2-CD1 3.89Å; V68-F391 HydrophobicContact CG2-CG 4.2Å; T233-F391 HydrophobicContact CG2-CE1 4.42Å; T233-F391 HydrophobicContact CG2-CZ 4.08Å; E387-F391 HydrophobicContact CG-CD2 3.82Å; E387-F391 HydrophobicContact CG-CE2 3.52Å; E387-F391 WeakPolarHBondContact O-CD2 3.32Å; E387-F391 PolarHBondContact O-N 2.98Å; E387-F391 VanDerWaalsContact O-N 3.09Å; N388-F391 PolarHBondContact O-N 3.42Å; F389-F391 PolarHBondContact O-N 3.25Å; F391-Y393 VanDerWaalsContact C-N 3.3Å; F391-Y393 PolarHBondContact O-N 2.99Å; F391-I394 PolarHBondContact O-N 3.41Å; F391-G395 PolarHBondContact O-N 3.38Å; F391-G395 VanDerWaalsContact O-N 3.14Å; F391-V544 HydrophobicContact CD1-CG1 4.5Å; F391-V544 HydrophobicContact CD1-CG2 4.45Å; F391-V544 HydrophobicContact CE1-CG1 4.39Å; F391-V544 HydrophobicContact CE1-CG2 3.89Å
392	A	89.7	Confident	87.1	Confident	5 Å²	5	21.6 Å²	21.6	4%	0.041	11%	0.11	C	C	.	.	H	α-helix	trans	-61.1	-41.5	173.3	0	0	0	0	0	111.3	S67 G71 N388 F389 G395 V396	S67-A392 WeakPolarHBondContact O-CA 3.17Å; G71-A392 WeakPolarHBondContact CA-O 3.45Å; N388-A392 WeakPolarHBondContact O-CB 3.36Å; N388-A392 PolarHBondContact O-N 3.43Å; F389-A392 PolarHBondContact O-N 3.49Å; A392-G395 PolarHBondContact O-N 2.9Å; A392-V396 PolarHBondContact O-N 2.75Å
393	Y	88.9	Confident	86.1	Confident	18 Å²	18	22.4 Å²	22.4	7%	0.071	11%	0.114	C	C	.	.	H	α-helix	trans	-63.8	-43	179	-153.9	-61.8	0	0	0	112.1	Y39 T149 F150 F389 V390 F391 G395 V396 S397	Y39-Y393 HydrophobicContact CD1-CD2 4.17Å; Y39-Y393 AromaticContact CE1-CD2 3.59Å; Y39-Y393 HydrophobicContact CE1-CD2 3.59Å; Y39-Y393 AromaticContact CE1-CE2 3.92Å; Y39-Y393 HydrophobicContact CE1-CE2 3.92Å; Y39-Y393 HydrophobicContact CE1-CG 4.06Å; Y39-Y393 HydrophobicContact CE2-CD2 4.29Å; Y39-Y393 AromaticContact CE2-CE2 3.79Å; Y39-Y393 HydrophobicContact CE2-CE2 3.79Å; Y39-Y393 AromaticContact CZ-CD2 3.67Å; Y39-Y393 AromaticContact CZ-CE2 3.47Å; Y39-Y393 VanDerWaalsContact CZ-CE2 3.47Å; Y39-Y393 AromaticContact CZ-CZ 3.87Å; Y39-Y393 WeakPolarHBondContact OH-CE2 3.1Å; T149-Y393 PolarHBondContact O-OH 3.23Å; F150-Y393 WeakPolarHBondContact CA-OH 3.3Å; F150-Y393 HydrophobicContact CB-CD1 3.85Å; F150-Y393 HydrophobicContact CB-CE1 3.3Å; F150-Y393 AromaticContact CD2-CD1 3.33Å; F150-Y393 HydrophobicContact CD2-CD1 3.33Å; F150-Y393 AromaticContact CD2-CE1 3.48Å; F150-Y393 HydrophobicContact CD2-CE1 3.48Å; F150-Y393 VanDerWaalsContact CD2-CE1 3.48Å; F150-Y393 AromaticContact CD2-CG 3.97Å; F150-Y393 HydrophobicContact CD2-CG 3.97Å; F150-Y393 HydrophobicContact CE2-CD1 4.31Å; F150-Y393 HydrophobicContact CG-CD1 4.05Å; F150-Y393 AromaticContact CG-CE1 3.81Å; F150-Y393 HydrophobicContact CG-CE1 3.81Å; F389-Y393 AromaticContact CE1-CD2 3.57Å; F389-Y393 HydrophobicContact CE1-CD2 3.57Å; F389-Y393 HydrophobicContact CE1-CE2 4.25Å; F389-Y393 HydrophobicContact CE1-CG 4.42Å; F389-Y393 AromaticContact CZ-CD2 3.62Å; F389-Y393 HydrophobicContact CZ-CD2 3.62Å; F389-Y393 HydrophobicContact CZ-CE2 4.09Å; F389-Y393 VanDerWaalsContact O-CB 3.3Å; F389-Y393 WeakPolarHBondContact O-CB 3.3Å; F389-Y393 PolarHBondContact O-N 3.39Å; V390-Y393 PolarHBondContact O-N 3.32Å; F391-Y393 VanDerWaalsContact C-N 3.3Å; F391-Y393 PolarHBondContact O-N 2.99Å; Y393-G395 VanDerWaalsContact C-N 3.25Å; Y393-G395 PolarHBondContact O-N 3.4Å; Y393-V396 PolarHBondContact O-N 3.46Å; Y393-S397 WeakPolarHBondContact O-CB 3.39Å; Y393-S397 PolarHBondContact O-N 2.84Å; Y393-S397 PolarHBondContact O-OG 2.78Å
394	I	89.3	Confident	85.5	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-60.4	-38.4	175	-68.3	163.3	0	0	0	111	V390 F391 S397 T398 A514 F517 V540 M541	V390-I394 HydrophobicContact CG1-CD1 4Å; V390-I394 WeakPolarHBondContact O-CD1 3.48Å; V390-I394 VanDerWaalsContact O-CG1 3.28Å; V390-I394 WeakPolarHBondContact O-CG1 3.5Å; V390-I394 PolarHBondContact O-N 2.86Å; F391-I394 PolarHBondContact O-N 3.41Å; I394-S397 WeakPolarHBondContact CA-OG 3.44Å; I394-S397 PolarHBondContact O-OG 2.82Å; I394-S397 VanDerWaalsContact O-OG 3.05Å; I394-T398 PolarHBondContact O-N 3.41Å; I394-T398 PolarHBondContact O-OG1 3.49Å; I394-A514 VanDerWaalsContact CD1-CA 3.44Å; I394-A514 HydrophobicContact CD1-CB 3.36Å; I394-F517 HydrophobicContact CD1-CB 4.38Å; I394-F517 HydrophobicContact CD1-CD1 4.31Å; I394-F517 HydrophobicContact CD1-CG 4.42Å; I394-F517 HydrophobicContact CG1-CB 4.43Å; I394-F517 HydrophobicContact CG1-CD1 3.65Å; I394-F517 HydrophobicContact CG1-CE1 4.03Å; I394-F517 HydrophobicContact CG1-CG 3.94Å; I394-F517 HydrophobicContact CG2-CD2 4.2Å; I394-F517 HydrophobicContact CG2-CG 4.33Å; I394-V540 HydrophobicContact CG2-CG1 4.38Å; I394-M541 HydrophobicContact CG2-CE 3.64Å; I394-M541 WeakPolarHBondContact O-CE 3.28Å
395	G	90.3	Very high	85.2	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-58.4	-50	172.5	0	0	0	0	0	112.9	G71 F391 A392 Y393 T398	G71-G395 CarbonylContact O-C 3.5Å; F391-G395 PolarHBondContact O-N 3.38Å; F391-G395 VanDerWaalsContact O-N 3.14Å; A392-G395 PolarHBondContact O-N 2.9Å; Y393-G395 VanDerWaalsContact C-N 3.25Å; Y393-G395 PolarHBondContact O-N 3.4Å; G395-T398 WeakPolarHBondContact O-CB 3.34Å
396	V	88.9	Confident	84.9	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.006	12%	0.121	C	C	.	.	H	α-helix	trans	-64.4	-50	-178.9	174.6	0	0	0	0	111.1	Y39 L42 G71 V74 L78 A392 Y393 T398 F399 T400	Y39-V396 HydrophobicContact CE1-CB 4.18Å; Y39-V396 HydrophobicContact CE1-CG1 4.31Å; Y39-V396 HydrophobicContact CE1-CG2 3.99Å; L42-V396 HydrophobicContact CD1-CG2 3.75Å; G71-V396 VanDerWaalsContact O-CA 3.31Å; G71-V396 WeakPolarHBondContact O-CA 3.48Å; G71-V396 WeakPolarHBondContact O-CG2 3.28Å; G71-V396 PolarHBondContact O-N 2.89Å; V74-V396 HydrophobicContact CB-CG2 4.46Å; V74-V396 HydrophobicContact CG1-CG2 4.39Å; L78-V396 HydrophobicContact CD1-CG1 3.91Å; A392-V396 PolarHBondContact O-N 2.75Å; Y393-V396 PolarHBondContact O-N 3.46Å; V396-T398 PolarHBondContact O-N 2.98Å; V396-T398 VanDerWaalsContact O-N 3.16Å; V396-F399 PolarHBondContact O-N 3.26Å; V396-T400 PolarHBondContact O-N 3.13Å; V396-T400 PolarHBondContact O-OG1 3.21Å; V396-T400 VanDerWaalsContact O-OG1 3.05Å
397	S	85.9	Confident	84.6	Confident	2 Å²	2	27.1 Å²	27.1	1%	0.014	12%	0.124	C	C	.	.	H	α-helix	trans	-62.5	-23.7	-176.6	55.7	0	0	0	0	114.3	Y393 I394 F399 F401 F517	Y393-S397 WeakPolarHBondContact O-CB 3.39Å; Y393-S397 PolarHBondContact O-N 2.84Å; Y393-S397 PolarHBondContact O-OG 2.78Å; I394-S397 WeakPolarHBondContact CA-OG 3.44Å; I394-S397 PolarHBondContact O-OG 2.82Å; I394-S397 VanDerWaalsContact O-OG 3.05Å; S397-F399 VanDerWaalsContact C-N 3.26Å; S397-F399 PolarHBondContact O-N 3Å; S397-F401 PolarHBondContact O-N 3.22Å; S397-F517 WeakPolarHBondContact OG-CZ 3.26Å
398	T	87.2	Confident	84.6	Confident	12 Å²	12	29 Å²	29	7%	0.074	14%	0.144	C	C	.	.	H	α-helix	trans	-60.4	-31.2	177.3	-67	0	0	0	0	113.5	I394 G395 V396 H404 I537 M541	I394-T398 PolarHBondContact O-N 3.41Å; I394-T398 PolarHBondContact O-OG1 3.49Å; G395-T398 WeakPolarHBondContact O-CB 3.34Å; V396-T398 PolarHBondContact O-N 2.98Å; V396-T398 VanDerWaalsContact O-N 3.16Å; T398-H404 PolarHBondContact O-NE2 2.83Å; T398-H404 VanDerWaalsContact O-NE2 3.17Å; T398-I537 HydrophobicContact CG2-CG2 3.73Å; T398-I537 WeakPolarHBondContact OG1-CG2 3.37Å; T398-M541 HydrophobicContact CG2-CE 4.42Å; T398-M541 WeakPolarHBondContact OG1-CE 3.29Å
399	F	86.3	Confident	84.7	Confident	53 Å²	53	36.7 Å²	36.7	23%	0.232	17%	0.173	C	C	.	.	H	α-helix	trans	-108.8	-21.2	177.3	-70.8	-53	0	0	0	113.9	L72 L76 R79 V396 S397 F401	L72-F399 HydrophobicContact CD1-CE2 4.31Å; L72-F399 HydrophobicContact CD2-CD2 4.48Å; L72-F399 HydrophobicContact CD2-CE2 3.54Å; L72-F399 HydrophobicContact CD2-CZ 4.3Å; L72-F399 HydrophobicContact CG-CD2 4.2Å; L72-F399 HydrophobicContact CG-CE2 3.49Å; L72-F399 VanDerWaalsContact CG-CE2 3.49Å; L72-F399 HydrophobicContact CG-CZ 4.31Å; L72-F399 WeakPolarHBondContact O-CD2 3.3Å; L76-F399 HydrophobicContact CB-CD2 3.94Å; L76-F399 HydrophobicContact CB-CE2 4.13Å; L76-F399 HydrophobicContact CD1-CD2 4.22Å; L76-F399 HydrophobicContact CD1-CE2 4.12Å; L76-F399 HydrophobicContact CD1-CG 4.42Å; L76-F399 HydrophobicContact CD1-CZ 4.32Å; R79-F399 WeakPolarHBondContact CD-O 3.12Å; V396-F399 PolarHBondContact O-N 3.26Å; S397-F399 VanDerWaalsContact C-N 3.26Å; S397-F399 PolarHBondContact O-N 3Å; F399-F401 VanDerWaalsContact C-N 3.34Å
400	T	81.4	Confident	84.5	Confident	8 Å²	8	35 Å²	35	5%	0.049	17%	0.166	C	C	.	.	H	α-helix	trans	-69.1	-32.9	177.1	-57	0	0	0	0	112	N145 A148 T149 V396 P402	N145-T400 WeakPolarHBondContact O-CG2 3.5Å; A148-T400 HydrophobicContact CB-CG2 3.66Å; T149-T400 HydrophobicContact CG2-CG2 4.45Å; V396-T400 PolarHBondContact O-N 3.13Å; V396-T400 PolarHBondContact O-OG1 3.21Å; V396-T400 VanDerWaalsContact O-OG1 3.05Å; T400-P402 WeakPolarHBondContact O-CD 3.31Å
401	F	80.3	Confident	84.5	Confident	14 Å²	14	35.5 Å²	35.5	6%	0.061	17%	0.169	C	C	.	.			trans	-68.1	121.7	-177.7	-172.5	-100.9	0	0	0	111.9	T149 S397 F399 L403 H404 T524 F533	T149-F401 HydrophobicContact CG2-CD2 4.22Å; S397-F401 PolarHBondContact O-N 3.22Å; F399-F401 VanDerWaalsContact C-N 3.34Å; F401-L403 HydrophobicContact CE1-CB 3.85Å; F401-L403 VanDerWaalsContact CE1-O 3.3Å; F401-L403 WeakPolarHBondContact CE1-O 3.42Å; F401-L403 HydrophobicContact CZ-CB 4.09Å; F401-H404 AromaticContact CD1-CD2 3.98Å; F401-H404 AromaticContact CD1-CE1 3.65Å; F401-H404 AromaticContact CD1-CG 3.99Å; F401-H404 AromaticContact CD1-ND1 3.8Å; F401-H404 AromaticContact CD1-NE2 3.78Å; F401-H404 PolarHBondContact O-CD2 2.91Å; F401-H404 PolarHBondContact O-NE2 2.79Å; F401-T524 HydrophobicContact CZ-CG2 4.37Å; F401-F533 HydrophobicContact CB-CE1 4.13Å; F401-F533 HydrophobicContact CD1-CD1 4.07Å; F401-F533 AromaticContact CD1-CE1 3.68Å; F401-F533 HydrophobicContact CD1-CE1 3.68Å; F401-F533 HydrophobicContact CD2-CE1 4.1Å; F401-F533 AromaticContact CE1-CD1 3.98Å; F401-F533 HydrophobicContact CE1-CD1 3.98Å; F401-F533 HydrophobicContact CE1-CE1 4.01Å; F401-F533 HydrophobicContact CE2-CE1 4.43Å; F401-F533 HydrophobicContact CG-CD1 4.49Å; F401-F533 AromaticContact CG-CE1 3.71Å; F401-F533 HydrophobicContact CG-CE1 3.71Å; F401-F533 HydrophobicContact CZ-CD1 4.39Å; F401-F533 HydrophobicContact CZ-CE1 4.39Å
402	P	67.7	Low	84.6	Confident	44 Å²	44	42.4 Å²	42.4	29%	0.286	20%	0.199	S	C	.	.	S	Bend	trans	-77.7	-27.6	-171.5	26.8	-32.2	0	0	0	114.1	N145 T400	N145-P402 HydrophobicContact CB-CB 4.26Å; N145-P402 HydrophobicContact CB-CG 3.94Å; T400-P402 WeakPolarHBondContact O-CD 3.31Å
403	L	70.2	Confident	84.5	Confident	51 Å²	51	43.1 Å²	43.1	27%	0.267	20%	0.202	S	C	.	.			trans	-111.1	47.1	-161.6	-71	158.9	0	0	0	113.3	F401 Y405	F401-L403 HydrophobicContact CE1-CB 3.85Å; F401-L403 VanDerWaalsContact CE1-O 3.3Å; F401-L403 WeakPolarHBondContact CE1-O 3.42Å; F401-L403 HydrophobicContact CZ-CB 4.09Å; L403-Y405 PolarHBondContact O-N 3.02Å
404	H	77.4	Confident	84.5	Confident	31 Å²	31	42.5 Å²	42.5	14%	0.144	20%	0.2	C	C	.	.			trans	-72	121.7	176.9	-72.1	-69.3	0	0	0	112.5	T398 F401 W406 F533 S534	T398-H404 PolarHBondContact O-NE2 2.83Å; T398-H404 VanDerWaalsContact O-NE2 3.17Å; F401-H404 AromaticContact CD1-CD2 3.98Å; F401-H404 AromaticContact CD1-CE1 3.65Å; F401-H404 AromaticContact CD1-CG 3.99Å; F401-H404 AromaticContact CD1-ND1 3.8Å; F401-H404 AromaticContact CD1-NE2 3.78Å; F401-H404 PolarHBondContact O-CD2 2.91Å; F401-H404 PolarHBondContact O-NE2 2.79Å; H404-W406 HydrophobicContact CB-CD2 4.34Å; H404-W406 HydrophobicContact CB-CG 4.41Å; H404-W406 HydrophobicContact CB-CZ2 3.92Å; H404-W406 AromaticContact CG-CE2 3.9Å; H404-W406 AromaticContact CG-CZ2 3.74Å; H404-W406 AromaticContact CG-NE1 3.83Å; H404-W406 AromaticContact ND1-CZ2 4Å; H404-F533 AromaticContact CE1-CE1 3.75Å; H404-S534 PolarHBondContact ND1-OG 2.99Å
405	Y	80.7	Confident	84.5	Confident	93 Å²	93	45.3 Å²	45.3	37%	0.365	22%	0.215	S	C	.	.			trans	-93	100	166.6	-170	-88.4	0	0	0	110.1	L403 N407 M531 S534	L403-Y405 PolarHBondContact O-N 3.02Å; Y405-N407 HydrophobicContact CE1-CB 4.35Å; Y405-M531 HydrophobicContact CD1-CB 3.82Å; Y405-M531 HydrophobicContact CD1-CE 3.91Å; Y405-M531 HydrophobicContact CD1-CG 3.95Å; Y405-M531 HydrophobicContact CE1-CE 3.46Å; Y405-M531 VanDerWaalsContact CE1-CE 3.46Å; Y405-M531 HydrophobicContact CE1-CG 4.41Å; Y405-S534 PolarHBondContact N-OG 3.17Å; Y405-S534 PolarHBondContact O-OG 3.44Å
406	W	83.7	Confident	84.5	Confident	143 Å²	143	50.3 Å²	50.3	54%	0.542	24%	0.237	S	C	.	.			trans	-89.8	118.9	-176.5	-64.5	100	0	0	0	111.7	H404 V538	H404-W406 HydrophobicContact CB-CD2 4.34Å; H404-W406 HydrophobicContact CB-CG 4.41Å; H404-W406 HydrophobicContact CB-CZ2 3.92Å; H404-W406 AromaticContact CG-CE2 3.9Å; H404-W406 AromaticContact CG-CZ2 3.74Å; H404-W406 AromaticContact CG-NE1 3.83Å; H404-W406 AromaticContact ND1-CZ2 4Å; W406-V538 HydrophobicContact CE3-CG2 4.38Å; W406-V538 HydrophobicContact CH2-CG2 4.16Å; W406-V538 HydrophobicContact CZ3-CG2 3.42Å; W406-V538 VanDerWaalsContact CZ3-CG2 3.42Å
407	N	85.2	Confident	84.5	Confident	23 Å²	23	50.2 Å²	50.2	12%	0.123	24%	0.237	C	C	.	.			trans	-127	94.9	168.8	-171	-29.5	0	0	0	110.4	L212 Y405 R409 F410 V411 M531	L212-N407 VanDerWaalsContact CD1-ND2 3.31Å; L212-N407 WeakPolarHBondContact CD1-ND2 3.46Å; Y405-N407 HydrophobicContact CE1-CB 4.35Å; N407-R409 PolarHBondContact O-N 2.75Å; N407-R409 PolarHBondContact OD1-N 3.11Å; N407-F410 HydrophobicContact CB-CB 4.06Å; N407-F410 PolarHBondContact O-N 3.34Å; N407-F410 VanDerWaalsContact O-N 3.11Å; N407-F410 PolarHBondContact OD1-N 2.95Å; N407-V411 WeakPolarHBondContact O-CG2 3.38Å; N407-V411 PolarHBondContact O-N 2.93Å; N407-V411 VanDerWaalsContact O-N 3.1Å; N407-M531 HydrophobicContact CB-CE 4.47Å; N407-M531 HydrophobicContact CB-CG 4.4Å
408	A	87.7	Confident	84.5	Confident	66 Å²	66	50.7 Å²	50.7	55%	0.545	24%	0.24	S	C	.	.	H	α-helix	trans	-55.4	-38.4	-176.6	0	0	0	0	0	112.9	F410 V411 F412	A408-F410 PolarHBondContact O-N 3.07Å; A408-V411 PolarHBondContact O-N 2.78Å; A408-F412 WeakPolarHBondContact O-CD2 3.44Å; A408-F412 PolarHBondContact O-N 3.47Å
409	R	88.6	Confident	84.6	Confident	163 Å²	163	53.6 Å²	53.6	62%	0.615	26%	0.257	S	S	*	.	H	α-helix	trans	-62.2	-45.2	179.6	-60.4	-178.5	-168	158.5	4.2	111.1	I209 N407 V411 F412 I413	I209-R409 HydrophobicContact CD1-CB 4.23Å; N407-R409 PolarHBondContact O-N 2.75Å; N407-R409 PolarHBondContact OD1-N 3.11Å; R409-V411 VanDerWaalsContact C-N 3.34Å; R409-F412 PolarHBondContact O-N 3.06Å; R409-I413 VanDerWaalsContact O-CG1 3.31Å; R409-I413 WeakPolarHBondContact O-CG1 3.38Å; R409-I413 PolarHBondContact O-N 2.98Å
410	F	87.7	Confident	84.8	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.6	-39.4	178.4	-174.4	-105.3	0	0	0	112	L212 L216 I224 N407 A408 F412 I413 A414 M531 F532 T535	L212-F410 HydrophobicContact CD2-CB 4.1Å; L212-F410 HydrophobicContact CD2-CD2 4Å; L212-F410 HydrophobicContact CD2-CG 4.36Å; L216-F410 HydrophobicContact CD1-CD2 4.43Å; L216-F410 HydrophobicContact CD1-CE2 4.04Å; I224-F410 HydrophobicContact CD1-CE1 3.3Å; I224-F410 HydrophobicContact CD1-CE2 4.49Å; I224-F410 HydrophobicContact CD1-CZ 3.25Å; N407-F410 HydrophobicContact CB-CB 4.06Å; N407-F410 PolarHBondContact O-N 3.34Å; N407-F410 VanDerWaalsContact O-N 3.11Å; N407-F410 PolarHBondContact OD1-N 2.95Å; A408-F410 PolarHBondContact O-N 3.07Å; F410-F412 PolarHBondContact O-N 2.88Å; F410-I413 PolarHBondContact O-N 2.98Å; F410-A414 WeakPolarHBondContact O-CB 3.38Å; F410-A414 PolarHBondContact O-N 3.2Å; F410-M531 HydrophobicContact CB-SD 4.29Å; F410-M531 HydrophobicContact CD1-CG 4.03Å; F410-M531 HydrophobicContact CD1-SD 3.79Å; F410-M531 HydrophobicContact CD2-SD 4.35Å; F410-M531 HydrophobicContact CE1-CG 4.42Å; F410-M531 HydrophobicContact CE1-SD 4.15Å; F410-M531 HydrophobicContact CG-SD 3.88Å; F410-F532 AromaticContact CE1-CD1 3.81Å; F410-F532 HydrophobicContact CE1-CD1 3.81Å; F410-F532 HydrophobicContact CE1-CE1 4Å; F410-F532 AromaticContact CZ-CD1 3.91Å; F410-F532 HydrophobicContact CZ-CD1 3.91Å; F410-F532 AromaticContact CZ-CE1 3.61Å; F410-F532 HydrophobicContact CZ-CE1 3.61Å; F410-T535 HydrophobicContact CD1-CG2 4.08Å; F410-T535 WeakPolarHBondContact CD1-OG1 3.37Å; F410-T535 HydrophobicContact CE1-CG2 4.12Å
411	V	88.8	Confident	85.2	Confident	14 Å²	14	53.3 Å²	53.3	9%	0.085	26%	0.258	C	S	.	.	H	α-helix	trans	-59.2	-46.3	174.7	178.2	0	0	0	0	111.6	N407 A408 R409 A414 L415 T535 V538	N407-V411 WeakPolarHBondContact O-CG2 3.38Å; N407-V411 PolarHBondContact O-N 2.93Å; N407-V411 VanDerWaalsContact O-N 3.1Å; A408-V411 PolarHBondContact O-N 2.78Å; R409-V411 VanDerWaalsContact C-N 3.34Å; V411-A414 PolarHBondContact O-N 2.88Å; V411-L415 WeakPolarHBondContact O-CB 3.45Å; V411-L415 PolarHBondContact O-N 3.17Å; V411-T535 HydrophobicContact CB-CG2 4.47Å; V411-T535 HydrophobicContact CG2-CG2 4.1Å; V411-V538 HydrophobicContact CG1-CB 3.96Å; V411-V538 HydrophobicContact CG1-CG1 3.75Å; V411-V538 HydrophobicContact CG1-CG2 4.48Å
412	F	90.3	Very high	85.7	Confident	149 Å²	149	53.1 Å²	53.1	65%	0.654	26%	0.257	S	S	*	.	H	α-helix	trans	-63.8	-41.9	177.2	-75.5	-64.9	0	0	0	112.3	A408 R409 F410 L415 F416	A408-F412 WeakPolarHBondContact O-CD2 3.44Å; A408-F412 PolarHBondContact O-N 3.47Å; R409-F412 PolarHBondContact O-N 3.06Å; F410-F412 PolarHBondContact O-N 2.88Å; F412-L415 PolarHBondContact O-N 3.5Å; F412-F416 VanDerWaalsContact O-CB 3.27Å; F412-F416 WeakPolarHBondContact O-CB 3.32Å; F412-F416 PolarHBondContact O-N 2.85Å
413	I	89.2	Confident	86.7	Confident	20 Å²	20	52.4 Å²	52.4	10%	0.103	25%	0.254	C	S	.	.	H	α-helix	trans	-61.5	-45.5	175.8	-67.9	162.3	0	0	0	110.5	F205 I209 R409 F410 F416 S417	F205-I413 HydrophobicContact CB-CD1 3.95Å; F205-I413 HydrophobicContact CB-CG1 4.13Å; F205-I413 HydrophobicContact CB-CG2 3.82Å; F205-I413 HydrophobicContact CG-CG2 4.39Å; I209-I413 HydrophobicContact CD1-CD1 3.83Å; R409-I413 VanDerWaalsContact O-CG1 3.31Å; R409-I413 WeakPolarHBondContact O-CG1 3.38Å; R409-I413 PolarHBondContact O-N 2.98Å; F410-I413 PolarHBondContact O-N 2.98Å; I413-F416 PolarHBondContact O-N 3.03Å; I413-S417 WeakPolarHBondContact O-CB 3.3Å; I413-S417 PolarHBondContact O-N 3.47Å
414	A	88	Confident	87.7	Confident	5 Å²	5	52.4 Å²	52.4	4%	0.041	26%	0.256	C	S	.	.	H	α-helix	trans	-64.8	-42.5	179.8	0	0	0	0	0	112	F410 V411 C418 T535 I539	F410-A414 WeakPolarHBondContact O-CB 3.38Å; F410-A414 PolarHBondContact O-N 3.2Å; V411-A414 PolarHBondContact O-N 2.88Å; A414-C418 VanDerWaalsContact O-CB 3.24Å; A414-C418 WeakPolarHBondContact O-CB 3.37Å; A414-C418 PolarHBondContact O-N 3.48Å; A414-T535 HydrophobicContact CB-CG2 3.74Å; A414-I539 HydrophobicContact CB-CD1 3.92Å
415	L	88.6	Confident	88.3	Confident	59 Å²	59	51.1 Å²	51.1	31%	0.309	25%	0.251	S	S	.	.	H	α-helix	trans	-63	-47.9	175.8	-168	161.9	0	0	0	110.9	V411 F412 C418 V419	V411-L415 WeakPolarHBondContact O-CB 3.45Å; V411-L415 PolarHBondContact O-N 3.17Å; F412-L415 PolarHBondContact O-N 3.5Å; L415-C418 WeakPolarHBondContact O-CB 3.46Å; L415-C418 PolarHBondContact O-N 3.36Å; L415-V419 HydrophobicContact CD2-CG2 4.23Å; L415-V419 WeakPolarHBondContact O-CG2 3.31Å; L415-V419 PolarHBondContact O-N 3.36Å; L415-V419 VanDerWaalsContact O-N 3.12Å
416	F	89.9	Confident	88.7	Confident	105 Å²	105	46.9 Å²	46.9	46%	0.461	23%	0.234	S	C	.	.	H	α-helix	trans	-61.8	-47.2	178.1	-179.5	-109.8	0	0	0	112.3	F205 F412 I413 C418 V419 I420	F205-F416 HydrophobicContact CE2-CE1 4.36Å; F205-F416 HydrophobicContact CZ-CE1 4.32Å; F412-F416 VanDerWaalsContact O-CB 3.27Å; F412-F416 WeakPolarHBondContact O-CB 3.32Å; F412-F416 PolarHBondContact O-N 2.85Å; I413-F416 PolarHBondContact O-N 3.03Å; F416-C418 VanDerWaalsContact C-N 3.28Å; F416-C418 PolarHBondContact O-N 3.48Å; F416-V419 PolarHBondContact O-N 3.5Å; F416-I420 HydrophobicContact CD1-CD1 3.84Å; F416-I420 HydrophobicContact CD2-CD1 4.39Å; F416-I420 HydrophobicContact CE1-CD1 3.29Å; F416-I420 HydrophobicContact CE1-CG1 4.5Å; F416-I420 HydrophobicContact CE2-CD1 3.91Å; F416-I420 HydrophobicContact CG-CD1 4.37Å; F416-I420 HydrophobicContact CZ-CD1 3.34Å; F416-I420 HydrophobicContact CZ-CG1 4.38Å; F416-I420 PolarHBondContact O-N 3Å; F416-I420 VanDerWaalsContact O-N 3.1Å
417	S	89.3	Confident	89.1	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-57.5	-41.3	175.6	-176.5	0	0	0	0	111.7	V198 I413 I420 A421	V198-S417 WeakPolarHBondContact CA-OG 3.47Å; I413-S417 WeakPolarHBondContact O-CB 3.3Å; I413-S417 PolarHBondContact O-N 3.47Å; S417-I420 PolarHBondContact O-N 3.27Å; S417-A421 WeakPolarHBondContact O-CB 3.47Å; S417-A421 PolarHBondContact O-N 3.48Å
418	C	87.4	Confident	89.4	Confident	12 Å²	12	45.5 Å²	45.5	8%	0.081	24%	0.237	C	C	.	.	H	α-helix	trans	-61.7	-45.5	176.8	178.3	0	0	0	0	112.7	V228 A414 L415 F416 A421 R422 R512	V228-C418 HydrophobicContact CG1-CB 3.89Å; A414-C418 VanDerWaalsContact O-CB 3.24Å; A414-C418 WeakPolarHBondContact O-CB 3.37Å; A414-C418 PolarHBondContact O-N 3.48Å; L415-C418 WeakPolarHBondContact O-CB 3.46Å; L415-C418 PolarHBondContact O-N 3.36Å; F416-C418 VanDerWaalsContact C-N 3.28Å; F416-C418 PolarHBondContact O-N 3.48Å; C418-A421 PolarHBondContact O-N 3.44Å; C418-R422 WeakPolarHBondContact O-CG 3.47Å; C418-R422 PolarHBondContact O-N 3.13Å; C418-R512 PolarHBondContact SG-NE 3.16Å; C418-R512 PolarHBondContact SG-NH2 3.37Å
419	V	88.7	Confident	89.6	Confident	73 Å²	73	43.1 Å²	43.1	44%	0.442	22%	0.215	S	C	.	.	H	α-helix	trans	-64.1	-43.7	179.5	175.5	0	0	0	0	110.8	L415 F416 R422 A423 F507	L415-V419 HydrophobicContact CD2-CG2 4.23Å; L415-V419 WeakPolarHBondContact O-CG2 3.31Å; L415-V419 PolarHBondContact O-N 3.36Å; L415-V419 VanDerWaalsContact O-N 3.12Å; F416-V419 PolarHBondContact O-N 3.5Å; V419-R422 PolarHBondContact O-N 3.13Å; V419-A423 PolarHBondContact O-N 3.46Å; V419-A423 VanDerWaalsContact O-N 3.1Å; V419-F507 HydrophobicContact CG1-CZ 3.99Å
420	I	91	Very high	89.6	Confident	53 Å²	53	35.4 Å²	35.4	27%	0.272	19%	0.185	S	C	.	.	H	α-helix	trans	-65.4	-47.3	177.5	-67	175.4	0	0	0	110.9	V197 I201 F416 S417 R422 A423 V424	V197-I420 HydrophobicContact CG1-CG2 4.15Å; I201-I420 HydrophobicContact CD1-CB 4.05Å; I201-I420 HydrophobicContact CD1-CD1 4.22Å; I201-I420 HydrophobicContact CD1-CG2 3.73Å; F416-I420 HydrophobicContact CD1-CD1 3.84Å; F416-I420 HydrophobicContact CD2-CD1 4.39Å; F416-I420 HydrophobicContact CE1-CD1 3.29Å; F416-I420 HydrophobicContact CE1-CG1 4.5Å; F416-I420 HydrophobicContact CE2-CD1 3.91Å; F416-I420 HydrophobicContact CG-CD1 4.37Å; F416-I420 HydrophobicContact CZ-CD1 3.34Å; F416-I420 HydrophobicContact CZ-CG1 4.38Å; F416-I420 PolarHBondContact O-N 3Å; F416-I420 VanDerWaalsContact O-N 3.1Å; S417-I420 PolarHBondContact O-N 3.27Å; I420-R422 PolarHBondContact O-N 3.22Å; I420-A423 PolarHBondContact O-N 3.28Å; I420-V424 HydrophobicContact CG2-CG2 4.07Å; I420-V424 WeakPolarHBondContact O-CG2 3.45Å; I420-V424 PolarHBondContact O-N 3.41Å
421	A	89.7	Confident	89.6	Confident	2 Å²	2	38.2 Å²	38.2	2%	0.017	21%	0.209	C	C	.	.	H	α-helix	trans	-58.3	-35.6	179.9	0	0	0	0	0	112.1	V197 V198 S417 C418 S425	V197-A421 HydrophobicContact CB-CB 4.17Å; V197-A421 HydrophobicContact CG1-CB 3.89Å; V198-A421 HydrophobicContact CG2-CB 3.35Å; S417-A421 WeakPolarHBondContact O-CB 3.47Å; S417-A421 PolarHBondContact O-N 3.48Å; C418-A421 PolarHBondContact O-N 3.44Å; A421-S425 WeakPolarHBondContact O-CB 3.37Å; A421-S425 PolarHBondContact O-N 2.63Å; A421-S425 PolarHBondContact O-OG 2.89Å
422	R	89	Confident	89.6	Confident	10 Å²	10	41.7 Å²	41.7	4%	0.038	23%	0.227	C	C	.	.	H	α-helix	trans	-68.9	-41	173.6	-74.6	-75.6	166	-171.2	-11.5	112.9	I229 L231 E254 N258 C418 V419 I420 V424 S425 V426 F507	I229-R422 PolarHBondContact O-NH2 3.23Å; I229-R422 VanDerWaalsContact O-NH2 3.16Å; L231-R422 VanDerWaalsContact CG-NH2 3.25Å; E254-R422 IonicContact OE1-CZ 3.6Å; E254-R422 IonicContact OE1-NH1 2.89Å; E254-R422 PolarHBondContact OE1-NH1 3.33Å; N258-R422 PolarHBondContact ND2-NH2 2.99Å; C418-R422 WeakPolarHBondContact O-CG 3.47Å; C418-R422 PolarHBondContact O-N 3.13Å; V419-R422 PolarHBondContact O-N 3.13Å; I420-R422 PolarHBondContact O-N 3.22Å; R422-V424 VanDerWaalsContact C-N 3.33Å; R422-S425 PolarHBondContact O-N 3.03Å; R422-S425 PolarHBondContact O-OG 3.38Å; R422-V426 WeakPolarHBondContact O-CB 3.46Å; R422-V426 VanDerWaalsContact O-CG2 3.26Å; R422-V426 WeakPolarHBondContact O-CG2 3.33Å; R422-V426 PolarHBondContact O-N 3.15Å; R422-F507 HydrophobicContact CB-CD2 4.03Å; R422-F507 HydrophobicContact CB-CE2 3.92Å
423	A	90.6	Very high	89.4	Confident	29 Å²	29	35 Å²	35	24%	0.24	20%	0.197	C	C	.	.	H	α-helix	trans	-63.5	-43.5	175.5	0	0	0	0	0	110.9	V419 I420 Y427 F507	V419-A423 PolarHBondContact O-N 3.46Å; V419-A423 VanDerWaalsContact O-N 3.1Å; I420-A423 PolarHBondContact O-N 3.28Å; A423-Y427 HydrophobicContact CB-CD2 4.19Å; A423-Y427 HydrophobicContact CB-CE2 4.1Å; A423-Y427 WeakPolarHBondContact O-CD2 3.43Å; A423-Y427 PolarHBondContact O-N 3.3Å; A423-F507 HydrophobicContact CB-CD2 4.31Å; A423-F507 HydrophobicContact CB-CE2 3.83Å
424	V	91.1	Very high	89.3	Confident	50 Å²	50	35.7 Å²	35.7	30%	0.303	20%	0.201	S	C	.	.	H	α-helix	trans	-71.7	-29.7	-179.9	178.9	0	0	0	0	112.2	L193 V197 I420 R422 P428	L193-V424 HydrophobicContact CD1-CG1 4.18Å; L193-V424 HydrophobicContact CD2-CG1 3.96Å; L193-V424 WeakPolarHBondContact CD2-O 3.45Å; L193-V424 HydrophobicContact CG-CG1 4Å; V197-V424 HydrophobicContact CG2-CB 4.22Å; V197-V424 HydrophobicContact CG2-CG1 3.79Å; I420-V424 HydrophobicContact CG2-CG2 4.07Å; I420-V424 WeakPolarHBondContact O-CG2 3.45Å; I420-V424 PolarHBondContact O-N 3.41Å; R422-V424 VanDerWaalsContact C-N 3.33Å; V424-P428 WeakPolarHBondContact O-CD 3.09Å; V424-P428 WeakPolarHBondContact O-CG 3.39Å
425	S	88.6	Confident	89.1	Confident	5 Å²	5	42.6 Å²	42.6	4%	0.035	23%	0.231	C	C	.	.	H	α-helix	trans	-76.5	-43.9	173.4	66.6	0	0	0	0	112	A421 R422 L429	A421-S425 WeakPolarHBondContact O-CB 3.37Å; A421-S425 PolarHBondContact O-N 2.63Å; A421-S425 PolarHBondContact O-OG 2.89Å; R422-S425 PolarHBondContact O-N 3.03Å; R422-S425 PolarHBondContact O-OG 3.38Å; S425-L429 VanDerWaalsContact O-CB 3.24Å; S425-L429 WeakPolarHBondContact O-CB 3.31Å; S425-L429 WeakPolarHBondContact O-CD1 3.39Å; S425-L429 WeakPolarHBondContact O-CG 3.46Å
426	V	90	Very high	88.6	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.018	24%	0.237	C	C	.	.	H	α-helix	trans	-76.2	-53.7	-170.9	175.9	0	0	0	0	112.7	R422 T430 I506 F507	R422-V426 WeakPolarHBondContact O-CB 3.46Å; R422-V426 VanDerWaalsContact O-CG2 3.26Å; R422-V426 WeakPolarHBondContact O-CG2 3.33Å; R422-V426 PolarHBondContact O-N 3.15Å; V426-T430 WeakPolarHBondContact O-CB 2.96Å; V426-T430 PolarHBondContact O-N 3.32Å; V426-T430 PolarHBondContact O-OG1 3.08Å; V426-I506 HydrophobicContact CG1-CB 4.22Å; V426-I506 HydrophobicContact CG1-CG2 3.89Å; V426-I506 HydrophobicContact CG2-CG2 4.1Å; V426-F507 HydrophobicContact CG1-CB 4.43Å
427	Y	92.3	Very high	87.9	Confident	72 Å²	72	40.8 Å²	40.8	28%	0.282	23%	0.226	S	C	.	.	H	α-helix	trans	-68	-48.2	-170.8	-62.3	-69.7	0	0	0	113.8	A423 T430 A431 Q503 H504	A423-Y427 HydrophobicContact CB-CD2 4.19Å; A423-Y427 HydrophobicContact CB-CE2 4.1Å; A423-Y427 WeakPolarHBondContact O-CD2 3.43Å; A423-Y427 PolarHBondContact O-N 3.3Å; Y427-T430 PolarHBondContact O-N 3.13Å; Y427-A431 PolarHBondContact O-N 3.15Å; Y427-Q503 HydrophobicContact CD1-CB 4.35Å; Y427-Q503 HydrophobicContact CE1-CB 4.15Å; Y427-H504 AromaticContact CE1-ND1 4Å; Y427-H504 AromaticContact CZ-ND1 3.89Å; Y427-H504 PolarHBondContact OH-CE1 3.24Å; Y427-H504 PolarHBondContact OH-ND1 2.86Å
428	P	91.8	Very high	86.9	Confident	66 Å²	66	42.9 Å²	42.9	43%	0.429	24%	0.243	S	C	.	.	H	α-helix	trans	-64.2	-41.9	178.4	-23	36.9	0	0	0	112.9	V424 T430 A431 L432	V424-P428 WeakPolarHBondContact O-CD 3.09Å; V424-P428 WeakPolarHBondContact O-CG 3.39Å; P428-T430 VanDerWaalsContact C-N 3.32Å; P428-T430 PolarHBondContact O-N 3.37Å; P428-A431 WeakPolarHBondContact O-CB 3.37Å; P428-A431 PolarHBondContact O-N 3.27Å; P428-L432 PolarHBondContact O-N 3.4Å
429	L	90.3	Very high	85.7	Confident	16 Å²	16	50.3 Å²	50.3	8%	0.084	27%	0.271	C	S	.	.	H	α-helix	trans	-67.4	-36	176.6	-65.8	177	0	0	0	111.4	T185 Y186 S425 A431 L432 I433	T185-L429 HydrophobicContact CG2-CD2 4.21Å; Y186-L429 HydrophobicContact CD1-CB 4.01Å; Y186-L429 HydrophobicContact CD1-CD1 4.34Å; Y186-L429 HydrophobicContact CE1-CB 3.94Å; S425-L429 VanDerWaalsContact O-CB 3.24Å; S425-L429 WeakPolarHBondContact O-CB 3.31Å; S425-L429 WeakPolarHBondContact O-CD1 3.39Å; S425-L429 WeakPolarHBondContact O-CG 3.46Å; L429-A431 VanDerWaalsContact C-N 3.32Å; L429-A431 PolarHBondContact O-N 3.44Å; L429-L432 PolarHBondContact O-N 3.1Å; L429-I433 WeakPolarHBondContact O-CB 3.25Å; L429-I433 WeakPolarHBondContact O-CD1 3.47Å; L429-I433 WeakPolarHBondContact O-CG1 3.26Å; L429-I433 PolarHBondContact O-N 3.21Å
430	T	90.4	Very high	84.1	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.6	-41.1	173.3	-50.3	0	0	0	0	111.4	Y186 V426 Y427 P428 L432 I433 N434 I498 Q503	Y186-T430 WeakPolarHBondContact OH-CA 3.47Å; Y186-T430 WeakPolarHBondContact OH-CB 3.46Å; Y186-T430 WeakPolarHBondContact OH-CG2 3.43Å; Y186-T430 PolarHBondContact OH-OG1 2.85Å; V426-T430 WeakPolarHBondContact O-CB 2.96Å; V426-T430 PolarHBondContact O-N 3.32Å; V426-T430 PolarHBondContact O-OG1 3.08Å; Y427-T430 PolarHBondContact O-N 3.13Å; P428-T430 VanDerWaalsContact C-N 3.32Å; P428-T430 PolarHBondContact O-N 3.37Å; T430-L432 VanDerWaalsContact C-N 3.35Å; T430-I433 PolarHBondContact O-N 3.11Å; T430-N434 VanDerWaalsContact O-CB 3.28Å; T430-N434 WeakPolarHBondContact O-CB 3.28Å; T430-N434 VanDerWaalsContact O-CG 3.28Å; T430-N434 PolarHBondContact O-N 3.3Å; T430-N434 PolarHBondContact O-ND2 2.97Å; T430-I498 HydrophobicContact CG2-CB 3.76Å; T430-I498 HydrophobicContact CG2-CD1 4.13Å; T430-I498 HydrophobicContact CG2-CG1 4.49Å; T430-I498 HydrophobicContact CG2-CG2 3.86Å; T430-Q503 VanDerWaalsContact CG2-CD 3.41Å; T430-Q503 HydrophobicContact CG2-CG 3.53Å; T430-Q503 VanDerWaalsContact CG2-NE2 3.31Å
431	A	87.9	Confident	82	Confident	60 Å²	60	50 Å²	50	50%	0.496	27%	0.266	S	S	.	.	H	α-helix	trans	-61.5	-43.7	175.5	0	0	0	0	0	111.4	Y427 P428 L429 N434 F435	Y427-A431 PolarHBondContact O-N 3.15Å; P428-A431 WeakPolarHBondContact O-CB 3.37Å; P428-A431 PolarHBondContact O-N 3.27Å; L429-A431 VanDerWaalsContact C-N 3.32Å; L429-A431 PolarHBondContact O-N 3.44Å; A431-N434 PolarHBondContact O-N 2.87Å; A431-F435 WeakPolarHBondContact O-CB 3.46Å; A431-F435 PolarHBondContact O-N 3.47Å
432	L	87.9	Confident	79.9	Confident	87 Å²	87	52.8 Å²	52.8	46%	0.455	29%	0.286	S	S	.	.	H	α-helix	trans	-61.1	-47.2	175.1	-172.3	156.9	0	0	0	111.5	T185 P428 L429 T430 N434 F435 C436	T185-L432 HydrophobicContact CG2-CD2 4.44Å; P428-L432 PolarHBondContact O-N 3.4Å; L429-L432 PolarHBondContact O-N 3.1Å; T430-L432 VanDerWaalsContact C-N 3.35Å; L432-N434 PolarHBondContact O-N 3.39Å; L432-F435 WeakPolarHBondContact O-CB 3.38Å; L432-F435 PolarHBondContact O-N 2.91Å; L432-C436 PolarHBondContact O-N 3.11Å; L432-C436 PolarHBondContact O-SG 2.9Å; L432-C436 VanDerWaalsContact O-SG 3.37Å
433	I	86	Confident	77.4	Confident	8 Å²	8	56.1 Å²	56.1	4%	0.041	31%	0.31	C	S	.	.	H	α-helix	trans	-64.3	-42.9	178.9	-68.6	162	0	0	0	110.9	A182 T185 Y186 L429 T430 F435 C436 R437 I498	A182-I433 HydrophobicContact CB-CD1 4.17Å; A182-I433 HydrophobicContact CB-CG2 4.04Å; T185-I433 HydrophobicContact CG2-CD1 4.02Å; T185-I433 HydrophobicContact CG2-CG1 3.95Å; Y186-I433 HydrophobicContact CD1-CD1 4.29Å; Y186-I433 HydrophobicContact CD2-CD1 3.84Å; Y186-I433 HydrophobicContact CE1-CD1 3.9Å; Y186-I433 HydrophobicContact CE2-CD1 3.38Å; Y186-I433 HydrophobicContact CG-CD1 4.26Å; Y186-I433 VanDerWaalsContact CZ-CD1 3.42Å; L429-I433 WeakPolarHBondContact O-CB 3.25Å; L429-I433 WeakPolarHBondContact O-CD1 3.47Å; L429-I433 WeakPolarHBondContact O-CG1 3.26Å; L429-I433 PolarHBondContact O-N 3.21Å; T430-I433 PolarHBondContact O-N 3.11Å; I433-F435 VanDerWaalsContact C-N 3.27Å; I433-F435 PolarHBondContact O-N 3.28Å; I433-C436 PolarHBondContact O-N 2.75Å; I433-R437 HydrophobicContact CG2-CG 4.43Å; I433-R437 WeakPolarHBondContact O-CB 3.13Å; I433-R437 WeakPolarHBondContact O-CG 3.24Å; I433-R437 PolarHBondContact O-N 3.5Å; I433-I498 HydrophobicContact CG2-CD1 4.24Å
434	N	86.2	Confident	75.3	Confident	35 Å²	35	57.1 Å²	57.1	19%	0.187	32%	0.315	C	S	.	.	H	α-helix	trans	-62.6	-36.4	176	-78.6	-25.5	0	0	0	111.4	T430 A431 L432 A438 I498	T430-N434 VanDerWaalsContact O-CB 3.28Å; T430-N434 WeakPolarHBondContact O-CB 3.28Å; T430-N434 VanDerWaalsContact O-CG 3.28Å; T430-N434 PolarHBondContact O-N 3.3Å; T430-N434 PolarHBondContact O-ND2 2.97Å; A431-N434 PolarHBondContact O-N 2.87Å; L432-N434 PolarHBondContact O-N 3.39Å; N434-A438 WeakPolarHBondContact O-CB 3.37Å; N434-A438 PolarHBondContact O-N 3.37Å; N434-I498 PolarHBondContact ND2-O 3.15Å; N434-I498 PolarHBondContact OD1-N 3.48Å; N434-I498 VanDerWaalsContact OD1-N 3.1Å
435	F	84.5	Confident	73	Confident	149 Å²	149	58.4 Å²	58.4	65%	0.654	32%	0.323	S	S	*	.	H	α-helix	trans	-67.7	-47.9	174.2	-175.7	-95.6	0	0	0	111.9	A431 L432 I433 R437 A438 Y439	A431-F435 WeakPolarHBondContact O-CB 3.46Å; A431-F435 PolarHBondContact O-N 3.47Å; L432-F435 WeakPolarHBondContact O-CB 3.38Å; L432-F435 PolarHBondContact O-N 2.91Å; I433-F435 VanDerWaalsContact C-N 3.27Å; I433-F435 PolarHBondContact O-N 3.28Å; F435-R437 VanDerWaalsContact C-N 3.33Å; F435-R437 PolarHBondContact O-N 3.1Å; F435-A438 PolarHBondContact O-N 3.31Å; F435-A438 VanDerWaalsContact O-N 3.15Å; F435-Y439 PolarHBondContact O-N 3.46Å
436	C	79.4	Confident	70.8	Confident	65 Å²	65	63.3 Å²	63.3	44%	0.439	35%	0.349	S	S	.	.	H	α-helix	trans	-58.6	-42.6	175.4	-71.4	0	0	0	0	112.1	L432 I433 Y439 Q440	L432-C436 PolarHBondContact O-N 3.11Å; L432-C436 PolarHBondContact O-SG 2.9Å; L432-C436 VanDerWaalsContact O-SG 3.37Å; I433-C436 PolarHBondContact O-N 2.75Å; C436-Y439 PolarHBondContact O-N 2.99Å; C436-Q440 WeakPolarHBondContact O-CB 3.41Å; C436-Q440 PolarHBondContact O-N 3.43Å
437	R	74.7	Confident	68.3	Low	62 Å²	62	67.1 Å²	67.1	23%	0.234	37%	0.374	C	S	.	.	H	α-helix	trans	-64.1	-39.8	175.4	-74	179.2	177.1	-166.1	-5	112.1	N179 I433 F435 C441 N496	N179-R437 PolarHBondContact OD1-NH2 3.24Å; I433-R437 HydrophobicContact CG2-CG 4.43Å; I433-R437 WeakPolarHBondContact O-CB 3.13Å; I433-R437 WeakPolarHBondContact O-CG 3.24Å; I433-R437 PolarHBondContact O-N 3.5Å; F435-R437 VanDerWaalsContact C-N 3.33Å; F435-R437 PolarHBondContact O-N 3.1Å; R437-C441 PolarHBondContact O-N 3.26Å; R437-N496 WeakPolarHBondContact CD-O 3.3Å; R437-N496 PolarHBondContact NH1-O 3.16Å
438	A	68.4	Low	66	Low	44 Å²	44	68.3 Å²	68.3	36%	0.364	39%	0.385	S	S	.	.	H	α-helix	trans	-65.6	-41.7	176.5	0	0	0	0	0	112.3	N434 F435 S442	N434-A438 WeakPolarHBondContact O-CB 3.37Å; N434-A438 PolarHBondContact O-N 3.37Å; F435-A438 PolarHBondContact O-N 3.31Å; F435-A438 VanDerWaalsContact O-N 3.15Å; A438-S442 PolarHBondContact O-N 2.88Å
439	Y	61	Low	63.3	Low	167 Å²	167	71.8 Å²	71.8	66%	0.655	39%	0.394	S	S	*	.	H	α-helix	trans	-66	-42.3	177.6	-171.6	-98.6	0	0	0	112.1	F435 C436 C441 S442 C443	F435-Y439 PolarHBondContact O-N 3.46Å; C436-Y439 PolarHBondContact O-N 2.99Å; Y439-C441 PolarHBondContact O-N 3.23Å; Y439-S442 WeakPolarHBondContact O-CB 3.36Å; Y439-S442 PolarHBondContact O-N 3.3Å; Y439-S442 VanDerWaalsContact O-N 3.13Å; Y439-C443 PolarHBondContact O-N 3.17Å
440	Q	54.9	Low	60.5	Low	90 Å²	90	80.3 Å²	80.3	42%	0.421	43%	0.425	S	S	.	.	H	α-helix	trans	-58.5	-46.2	177.6	-165.1	105.1	-1.1	0	0	112.1	C436 S442 C443 S444	C436-Q440 WeakPolarHBondContact O-CB 3.41Å; C436-Q440 PolarHBondContact O-N 3.43Å; Q440-S442 VanDerWaalsContact C-N 3.31Å; Q440-S442 PolarHBondContact O-N 3.04Å; Q440-C443 PolarHBondContact O-N 3.03Å; Q440-S444 PolarHBondContact O-N 3.46Å
441	C	46.8	Very low	57.9	Low	29 Å²	29	88 Å²	88	20%	0.196	46%	0.458	C	S	.	.	H	α-helix	trans	-65.7	-32.1	176.7	-78.1	0	0	0	0	112.3	R437 Y439 C443 S444 T445	R437-C441 PolarHBondContact O-N 3.26Å; Y439-C441 PolarHBondContact O-N 3.23Å; C441-C443 VanDerWaalsContact C-N 3.29Å; C441-C443 PolarHBondContact O-N 3.32Å; C441-S444 PolarHBondContact O-N 3.2Å; C441-T445 PolarHBondContact O-N 3.29Å; C441-T445 PolarHBondContact O-OG1 3Å
442	S	45.9	Very low	55.7	Low	61 Å²	61	93 Å²	93	43%	0.427	47%	0.469	S	S	.	.	H	α-helix	trans	-65.8	-31.3	176.8	-166.2	0	0	0	0	112.8	A438 Y439 Q440 N446	A438-S442 PolarHBondContact O-N 2.88Å; Y439-S442 WeakPolarHBondContact O-CB 3.36Å; Y439-S442 PolarHBondContact O-N 3.3Å; Y439-S442 VanDerWaalsContact O-N 3.13Å; Q440-S442 VanDerWaalsContact C-N 3.31Å; Q440-S442 PolarHBondContact O-N 3.04Å; S442-N446 PolarHBondContact O-N 3.4Å; S442-N446 PolarHBondContact O-ND2 2.86Å
443	C	36.6	Very low	53.5	Low	81 Å²	81	93.6 Å²	93.6	55%	0.547	47%	0.473	S	S	.	.	H	α-helix	trans	-77.4	-39.9	177.3	-150.3	0	0	0	0	111.5	Y439 Q440 C441 C447	Y439-C443 PolarHBondContact O-N 3.17Å; Q440-C443 PolarHBondContact O-N 3.03Å; C441-C443 VanDerWaalsContact C-N 3.29Å; C441-C443 PolarHBondContact O-N 3.32Å; C443-C447 PolarHBondContact O-N 3.29Å
444	S	47.6	Very low	51.3	Low	49 Å²	49	97.1 Å²	97.1	34%	0.343	50%	0.498	S	S	.	.	H	α-helix	trans	-64.9	-46.6	176.3	-171.1	0	0	0	0	112.3	Q440 C441 N446 C447 L448	Q440-S444 PolarHBondContact O-N 3.46Å; C441-S444 PolarHBondContact O-N 3.2Å; S444-N446 PolarHBondContact O-N 3.34Å; S444-C447 PolarHBondContact O-N 2.78Å; S444-L448 WeakPolarHBondContact O-CB 3.39Å; S444-L448 PolarHBondContact O-N 3.24Å
445	T	41.7	Very low	48.9	Very low	77 Å²	77	102.3 Å²	102.3	47%	0.472	53%	0.526	S	S	.	.	H	α-helix	trans	-64.6	-36.8	-179.3	28.4	0	0	0	0	113.3	C441 K449	C441-T445 PolarHBondContact O-N 3.29Å; C441-T445 PolarHBondContact O-OG1 3Å; T445-K449 VanDerWaalsContact O-CB 3.23Å; T445-K449 WeakPolarHBondContact O-CB 3.47Å; T445-K449 PolarHBondContact O-N 3.19Å
446	N	42.7	Very low	46.5	Very low	109 Å²	109	99.6 Å²	99.6	58%	0.583	53%	0.525	S	S	*	.	H	α-helix	trans	-69.5	-35.9	175.6	-75.9	-16.7	0	0	0	112.4	S442 S444 R450	S442-N446 PolarHBondContact O-N 3.4Å; S442-N446 PolarHBondContact O-ND2 2.86Å; S444-N446 PolarHBondContact O-N 3.34Å; N446-R450 WeakPolarHBondContact O-CB 3.05Å; N446-R450 PolarHBondContact O-N 3.18Å; N446-R450 VanDerWaalsContact O-N 3.1Å
447	C	37.6	Very low	44.3	Very low	82 Å²	82	104.7 Å²	104.7	55%	0.554	54%	0.543	S	S	*	.	H	α-helix	trans	-70.1	-40.8	173.5	-102.1	0	0	0	0	112.5	C443 S444 R450 K451	C443-C447 PolarHBondContact O-N 3.29Å; S444-C447 PolarHBondContact O-N 2.78Å; C447-R450 PolarHBondContact O-N 2.92Å; C447-K451 PolarHBondContact O-N 2.96Å
448	L	44	Very low	42.1	Very low	98 Å²	98	109.5 Å²	109.5	51%	0.513	57%	0.572	S	S	.	*	H	α-helix	trans	-69.8	-38.8	-179.7	-147.2	132	0	0	0	111.3	S444 K451 F452	S444-L448 WeakPolarHBondContact O-CB 3.39Å; S444-L448 PolarHBondContact O-N 3.24Å; L448-K451 PolarHBondContact O-N 3.33Å; L448-F452 PolarHBondContact O-N 3.36Å
449	K	33.9	Very low	40	Very low	138 Å²	138	113 Å²	113	60%	0.6	59%	0.594	S	S	*	*	H	α-helix	trans	-62.4	-43.1	171.6	-170.4	158	-175.5	176.6	0	111.9	T445 K451 F452 D453	T445-K449 VanDerWaalsContact O-CB 3.23Å; T445-K449 WeakPolarHBondContact O-CB 3.47Å; T445-K449 PolarHBondContact O-N 3.19Å; K449-K451 VanDerWaalsContact C-N 3.29Å; K449-K451 PolarHBondContact O-N 3.05Å; K449-F452 PolarHBondContact O-N 3.24Å; K449-D453 PolarHBondContact O-N 3.36Å
450	R	33.2	Very low	38.3	Very low	196 Å²	196	114.6 Å²	114.6	74%	0.74	61%	0.605	S	S	*	*	H	α-helix	trans	-64.4	-32.8	176.3	-161.1	-178.3	-95.2	163.2	-9.8	112.5	N446 C447 S454	N446-R450 WeakPolarHBondContact O-CB 3.05Å; N446-R450 PolarHBondContact O-N 3.18Å; N446-R450 VanDerWaalsContact O-N 3.1Å; C447-R450 PolarHBondContact O-N 2.92Å; R450-S454 PolarHBondContact O-N 2.79Å; R450-S454 PolarHBondContact O-OG 3.46Å
451	K	36.1	Very low	36.9	Very low	161 Å²	161	116.6 Å²	116.6	70%	0.7	63%	0.629	S	S	*	*	H	α-helix	trans	-76.3	-32.8	177.3	-137.8	176.9	-172.7	-177.6	0	113.1	C447 L448 K449 S454	C447-K451 PolarHBondContact O-N 2.96Å; L448-K451 PolarHBondContact O-N 3.33Å; K449-K451 VanDerWaalsContact C-N 3.29Å; K449-K451 PolarHBondContact O-N 3.05Å; K451-S454 WeakPolarHBondContact CA-OG 3.48Å; K451-S454 PolarHBondContact O-OG 2.86Å
452	F	40.6	Very low	36	Very low	164 Å²	164	119.5 Å²	119.5	72%	0.719	65%	0.649	S	S	*	*	H	α-helix	trans	-75.4	-39.5	176.6	-154.4	-95.3	0	0	0	111.7	L448 K449 S454 N455	L448-F452 PolarHBondContact O-N 3.36Å; K449-F452 PolarHBondContact O-N 3.24Å; F452-S454 VanDerWaalsContact C-N 3.28Å; F452-S454 PolarHBondContact O-N 3.37Å; F452-N455 PolarHBondContact O-N 3.25Å
453	D	42	Very low	35.1	Very low	100 Å²	100	124.7 Å²	124.7	54%	0.535	67%	0.672	S	S	.	*	H	α-helix	trans	-63.6	-34.1	176.1	-71.9	-20.8	0	0	0	111.7	K449 N455 S456	K449-D453 PolarHBondContact O-N 3.36Å; D453-N455 PolarHBondContact O-N 3.43Å; D453-S456 PolarHBondContact O-OG 2.9Å
454	S	38.8	Very low	34.5	Very low	83 Å²	83	129.4 Å²	129.4	58%	0.58	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-17.3	179.4	46.6	0	0	0	0	115.7	R450 K451 F452	R450-S454 PolarHBondContact O-N 2.79Å; R450-S454 PolarHBondContact O-OG 3.46Å; K451-S454 WeakPolarHBondContact CA-OG 3.48Å; K451-S454 PolarHBondContact O-OG 2.86Å; F452-S454 VanDerWaalsContact C-N 3.28Å; F452-S454 PolarHBondContact O-N 3.37Å
455	N	37	Very low	33.6	Very low	143 Å²	143	135.3 Å²	135.3	77%	0.765	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	3.7	-178.2	-86.1	5.5	0	0	0	114.3	F452 D453	F452-N455 PolarHBondContact O-N 3.25Å; D453-N455 PolarHBondContact O-N 3.43Å
456	S	33.6	Very low	32.7	Very low	92 Å²	92	138.6 Å²	138.6	64%	0.643	73%	0.726	S	S	*	*	S	Bend	trans	-90.1	2	-176.3	68.3	0	0	0	0	115.6	D453	D453-S456 PolarHBondContact O-OG 2.9Å
457	Q	32.4	Very low	32	Very low	173 Å²	173	139.2 Å²	139.2	81%	0.808	73%	0.733	S	S	*	*	S	Bend	trans	-116.1	55.8	-178.1	-65.4	-169	3	0	0	113.1
458	L	28.6	Very low	31.5	Very low	163 Å²	163	141.1 Å²	141.1	85%	0.853	75%	0.745	S	S	*	*			trans	-156.2	76.2	167.9	-142.9	80.4	0	0	0	112.8
459	S	24.9	Very low	30.7	Very low	117 Å²	117	140.2 Å²	140.2	82%	0.818	76%	0.759	S	S	*	*			trans	176.4	105.8	147.4	37.3	0	0	0	0	111.6
460	F	25.9	Very low	30.4	Very low	201 Å²	201	139.4 Å²	139.4	88%	0.882	77%	0.771	S	S	*	*			trans	-156.2	96.1	149	-133.1	-89.7	0	0	0	108.5
461	S	25.6	Very low	30	Very low	132 Å²	132	134.9 Å²	134.9	92%	0.923	77%	0.769	S	S	*	*			trans	-141.2	112	155.6	-129	0	0	0	0	107.4
462	S	27.8	Very low	29.4	Very low	89 Å²	89	136.3 Å²	136.3	62%	0.622	78%	0.775	S	S	*	*			trans	-97.6	107.4	-169.4	-177.7	0	0	0	0	108.1
463	D	27.6	Very low	28.6	Very low	170 Å²	170	136.4 Å²	136.4	91%	0.909	78%	0.783	S	S	*	*			trans	-98.6	116.3	167.1	-97.7	-32.1	0	0	0	110
464	K	23.9	Very low	27.8	Very low	181 Å²	181	137.2 Å²	137.2	79%	0.787	80%	0.796	S	S	*	*			trans	-83.7	126.9	172.8	-69.6	174.3	175.5	175.2	0	108.2
465	N	27.9	Very low	27.1	Very low	172 Å²	172	140.9 Å²	140.9	92%	0.92	81%	0.809	S	S	*	*			trans	-148.5	131.8	149.3	-93.6	-29.6	0	0	0	111.8
466	N	23	Very low	26.5	Very low	147 Å²	147	139.3 Å²	139.3	79%	0.786	81%	0.807	S	S	*	*			trans	-68.9	137.1	-173.2	-84.6	-30.8	0	0	0	113.4
467	V	27	Very low	26.2	Very low	122 Å²	122	142.3 Å²	142.3	74%	0.739	81%	0.814	S	S	*	*				72.6	151.9	106.3	-176.5	0	0	0	0	115
468	P	28.9	Very low	25.8	Very low	122 Å²	122	141.2 Å²	141.2	79%	0.792	81%	0.813	S	S	*	*			cis	-130	162.5	-9.7	24.7	-2.7	0	0	0	116.2
469	G	25.9	Very low	25.6	Very low	79 Å²	79	143.1 Å²	143.1	81%	0.814	82%	0.815	S	S	*	*			trans	99.1	71.8	131	0	0	0	0	0	120.4
470	S	28.1	Very low	25.7	Very low	121 Å²	121	140.3 Å²	140.3	85%	0.846	81%	0.805	S	S	*	*			trans	-153.9	95.8	142	54.2	0	0	0	0	110.3	F472	S470-F472 PolarHBondContact O-N 3.43Å
471	S	23.8	Very low	25.7	Very low	101 Å²	101	138.4 Å²	138.4	71%	0.706	80%	0.804	S	S	*	*			trans	-66.7	120.2	163.5	48.7	0	0	0	0	108.7
472	F	23.7	Very low	25.9	Very low	190 Å²	190	138.3 Å²	138.3	83%	0.833	80%	0.797	S	S	*	*			trans	169.4	117.3	136.2	-88.7	-64.5	0	0	0	109.2	S470	S470-F472 PolarHBondContact O-N 3.43Å
473	L	25.2	Very low	26	Very low	167 Å²	167	137.8 Å²	137.8	87%	0.874	80%	0.799	S	S	*	*			trans	73.3	80.3	165.3	-70.6	126.6	0	0	0	119.3
474	S	24.8	Very low	26.3	Very low	116 Å²	116	134.6 Å²	134.6	81%	0.811	79%	0.785	S	S	*	*			trans	-158	106.5	137	47	0	0	0	0	110.3
475	N	23.2	Very low	26.4	Very low	161 Å²	161	129.4 Å²	129.4	86%	0.861	77%	0.768	S	S	*	*			trans	-70.4	129.1	165.1	-91.6	-11.5	0	0	0	108.1	I477	N475-I477 PolarHBondContact O-N 3.2Å
476	P	24.9	Very low	26.8	Very low	109 Å²	109	126.3 Å²	126.3	71%	0.708	76%	0.758	S	S	*	*			trans	-72.1	126.2	-175.4	28.5	-32.1	0	0	0	110.3	D478	P476-D478 PolarHBondContact O-N 3.07Å
477	I	27	Very low	27.5	Very low	156 Å²	156	122.3 Å²	122.3	80%	0.8	75%	0.745	S	S	*	*			trans	-81	105.4	166.9	-62.6	173.5	0	0	0	106.1	N475 F479	N475-I477 PolarHBondContact O-N 3.2Å; I477-F479 PolarHBondContact O-N 2.99Å; I477-F479 VanDerWaalsContact O-N 3.13Å
478	D	23.3	Very low	28	Very low	149 Å²	149	120.7 Å²	120.7	80%	0.797	73%	0.732	S	S	*	*			trans	-53.7	113.9	171.5	-80.4	-38.3	0	0	0	109.9	P476 G480	P476-D478 PolarHBondContact O-N 3.07Å; D478-G480 PolarHBondContact O-N 3.17Å
479	F	25	Very low	28.4	Very low	204 Å²	204	119.3 Å²	119.3	90%	0.895	72%	0.719	S	S	*	*			trans	-70	78.7	161.8	-100.9	-92.4	0	0	0	108.1	I477 N481	I477-F479 PolarHBondContact O-N 2.99Å; I477-F479 VanDerWaalsContact O-N 3.13Å; F479-N481 PolarHBondContact O-N 2.81Å; F479-N481 VanDerWaalsContact O-N 3.17Å
480	G	27.3	Very low	28.7	Very low	58 Å²	58	124 Å²	124	60%	0.598	72%	0.716	S	S	*	*			trans	-62.8	112.7	167.6	0	0	0	0	0	109.3	D478 V482	D478-G480 PolarHBondContact O-N 3.17Å; G480-V482 PolarHBondContact O-N 3.33Å
481	N	25.3	Very low	29.1	Very low	160 Å²	160	127.8 Å²	127.8	86%	0.856	71%	0.712	S	S	*	*			trans	-46.4	108	167.5	-68.2	-42	0	0	0	109.4	F479 A483	F479-N481 PolarHBondContact O-N 2.81Å; F479-N481 VanDerWaalsContact O-N 3.17Å; N481-A483 PolarHBondContact O-N 3.38Å
482	V	30.1	Very low	29.6	Very low	130 Å²	130	128.9 Å²	128.9	79%	0.788	70%	0.704	S	S	*	*			trans	-68.6	88.6	172.7	179.2	0	0	0	0	106.9	G480 V484	G480-V482 PolarHBondContact O-N 3.33Å; V482-V484 VanDerWaalsContact C-N 3.33Å; V482-V484 PolarHBondContact O-N 3.01Å
483	A	30.2	Very low	30.3	Very low	79 Å²	79	123.8 Å²	123.8	65%	0.653	69%	0.686	S	S	*	*			trans	-61.3	100.6	163.5	0	0	0	0	0	106.6	N481 T485	N481-A483 PolarHBondContact O-N 3.38Å; A483-T485 VanDerWaalsContact C-N 3.28Å; A483-T485 PolarHBondContact O-N 2.84Å
484	V	33.2	Very low	31	Very low	102 Å²	102	123.7 Å²	123.7	62%	0.618	68%	0.678	S	S	*	*			trans	-60.6	96.4	172.4	178.1	0	0	0	0	107	V482	V482-V484 VanDerWaalsContact C-N 3.33Å; V482-V484 PolarHBondContact O-N 3.01Å
485	T	26.7	Very low	32.1	Very low	72 Å²	72	122.9 Å²	122.9	44%	0.442	67%	0.673	S	S	.	*			trans	-67.6	141.7	-178.5	63.7	0	0	0	0	109.2	A483 A487 D488	A483-T485 VanDerWaalsContact C-N 3.28Å; A483-T485 PolarHBondContact O-N 2.84Å; T485-A487 PolarHBondContact O-N 3.28Å; T485-D488 PolarHBondContact O-N 3.29Å; T485-D488 VanDerWaalsContact O-N 3.12Å
486	P	36.9	Very low	33.8	Very low	108 Å²	108	118.1 Å²	118.1	70%	0.701	65%	0.647	S	S	*	*	H	α-helix	trans	-59.5	-9.5	179.6	19.9	-30.6	0	0	0	114.4
487	A	37	Very low	35.9	Very low	63 Å²	63	118 Å²	118	52%	0.521	64%	0.635	S	S	.	*	H	α-helix	trans	-68.2	-35.9	174.2	0	0	0	0	0	113.1	T485 N489 K490 R491	T485-A487 PolarHBondContact O-N 3.28Å; A487-N489 VanDerWaalsContact C-N 3.35Å; A487-N489 PolarHBondContact O-N 3.14Å; A487-K490 PolarHBondContact O-N 2.88Å; A487-R491 PolarHBondContact O-N 2.98Å
488	D	36.9	Very low	38.2	Very low	87 Å²	87	111.2 Å²	111.2	47%	0.465	60%	0.6	S	S	.	*	H	α-helix	trans	-69.8	-33	179.6	-84	-33.9	0	0	0	112.4	T485 K490 R491 K492	T485-D488 PolarHBondContact O-N 3.29Å; T485-D488 VanDerWaalsContact O-N 3.12Å; D488-K490 VanDerWaalsContact C-N 3.33Å; D488-K490 PolarHBondContact O-N 3.38Å; D488-R491 PolarHBondContact O-N 3.02Å; D488-R491 VanDerWaalsContact O-N 3.16Å; D488-K492 PolarHBondContact O-N 3.38Å; D488-K492 VanDerWaalsContact O-N 3.11Å
489	N	38.8	Very low	41	Very low	94 Å²	94	107.1 Å²	107.1	50%	0.503	58%	0.581	S	S	.	*	H	α-helix	trans	-65.1	-34.3	173.1	-76.7	-28.1	0	0	0	112.3	A487 R491 N493	A487-N489 VanDerWaalsContact C-N 3.35Å; A487-N489 PolarHBondContact O-N 3.14Å; N489-R491 VanDerWaalsContact C-N 3.33Å; N489-N493 WeakPolarHBondContact O-CB 3.38Å; N489-N493 PolarHBondContact O-N 3.35Å
490	K	32.3	Very low	43.9	Very low	176 Å²	176	102.6 Å²	102.6	77%	0.765	57%	0.566	S	S	*	*	H	α-helix	trans	-67.4	-32.8	173.4	-94.6	-176.7	179.4	176.4	0	112.4	A487 D488	A487-K490 PolarHBondContact O-N 2.88Å; D488-K490 VanDerWaalsContact C-N 3.33Å; D488-K490 PolarHBondContact O-N 3.38Å
491	R	36.2	Very low	46.7	Very low	202 Å²	202	103.6 Å²	103.6	76%	0.762	56%	0.557	S	S	*	*	H	α-helix	trans	-74.4	-41	-179.8	-160.2	175.6	-175.4	179.5	0.8	112	A487 D488 N489 K494	A487-R491 PolarHBondContact O-N 2.98Å; D488-R491 PolarHBondContact O-N 3.02Å; D488-R491 VanDerWaalsContact O-N 3.16Å; N489-R491 VanDerWaalsContact C-N 3.33Å; R491-K494 PolarHBondContact O-N 3.5Å
492	K	34.5	Very low	49.6	Very low	123 Å²	123	98 Å²	98	54%	0.535	53%	0.526	S	S	.	.	H	α-helix	trans	-67.8	-41.8	176.6	-74.8	-170.4	176.9	-173	0	113	D488 K494 S495 D582	D488-K492 PolarHBondContact O-N 3.38Å; D488-K492 VanDerWaalsContact O-N 3.11Å; K492-K494 PolarHBondContact O-N 2.89Å; K492-K494 VanDerWaalsContact O-N 3.11Å; K492-S495 WeakPolarHBondContact O-CB 3.37Å; K492-S495 PolarHBondContact O-N 3.46Å; K492-D582 IonicContact NZ-OD2 2.74Å; K492-D582 PolarHBondContact NZ-OD2 2.94Å
493	N	38	Very low	52.4	Low	84 Å²	84	92.6 Å²	92.6	45%	0.449	49%	0.492	S	S	.	.	H	α-helix	trans	-66.6	-15	-179.7	-139.7	-8.1	0	0	0	113.6	N489	N489-N493 WeakPolarHBondContact O-CB 3.38Å; N489-N493 PolarHBondContact O-N 3.35Å
494	K	39	Very low	55.2	Low	165 Å²	165	92.4 Å²	92.4	72%	0.717	48%	0.477	S	S	*	.	H	α-helix	trans	-82.5	-24.5	174.2	-167	175.3	179.6	-178.2	0	112.8	R491 K492 N496	R491-K494 PolarHBondContact O-N 3.5Å; K492-K494 PolarHBondContact O-N 2.89Å; K492-K494 VanDerWaalsContact O-N 3.11Å; K494-N496 PolarHBondContact O-N 2.86Å
495	S	49.1	Very low	57.7	Low	99 Å²	99	87.6 Å²	87.6	69%	0.692	45%	0.448	S	S	*	.	H	α-helix	trans	-67.3	-34.3	-169	-166.9	0	0	0	0	114	K492	K492-S495 WeakPolarHBondContact O-CB 3.37Å; K492-S495 PolarHBondContact O-N 3.46Å
496	N	59	Low	60.6	Low	60 Å²	60	84.3 Å²	84.3	32%	0.321	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	1	-175.3	-74.7	-16.2	0	0	0	114.7	R437 K494	R437-N496 WeakPolarHBondContact CD-O 3.3Å; R437-N496 PolarHBondContact NH1-O 3.16Å; K494-N496 PolarHBondContact O-N 2.86Å
497	K	68	Low	63.1	Low	107 Å²	107	82 Å²	82	47%	0.465	41%	0.406	S	S	.	.	S	Bend	trans	-81.4	132.4	178.9	-71.3	-176.6	-178	-178.5	0	110.4	T499	K497-T499 PolarHBondContact O-N 2.88Å; K497-T499 VanDerWaalsContact O-N 3.08Å
498	I	76.7	Confident	65.3	Low	13 Å²	13	81 Å²	81	7%	0.067	39%	0.391	C	S	.	.			trans	-74.8	104.1	175.7	-55.5	176.6	0	0	0	107.5	Y186 L250 T430 I433 N434 F502 Q503 I506	Y186-I498 HydrophobicContact CE2-CD1 4.2Å; Y186-I498 VanDerWaalsContact OH-CD1 3.3Å; Y186-I498 WeakPolarHBondContact OH-CD1 3.28Å; L250-I498 HydrophobicContact CD2-CD1 4.1Å; T430-I498 HydrophobicContact CG2-CB 3.76Å; T430-I498 HydrophobicContact CG2-CD1 4.13Å; T430-I498 HydrophobicContact CG2-CG1 4.49Å; T430-I498 HydrophobicContact CG2-CG2 3.86Å; I433-I498 HydrophobicContact CG2-CD1 4.24Å; N434-I498 PolarHBondContact ND2-O 3.15Å; N434-I498 PolarHBondContact OD1-N 3.48Å; N434-I498 VanDerWaalsContact OD1-N 3.1Å; I498-F502 HydrophobicContact CG2-CB 3.91Å; I498-Q503 HydrophobicContact CG2-CG 3.91Å; I498-Q503 PolarHBondContact O-NE2 2.9Å; I498-I506 HydrophobicContact CG2-CD1 4.2Å
499	T	81.7	Confident	67.4	Low	64 Å²	64	77 Å²	77	39%	0.393	37%	0.369	S	S	.	.			trans	-63.5	157.7	-179.9	66.8	0	0	0	0	111.4	K497 N501 F502 Q503	K497-T499 PolarHBondContact O-N 2.88Å; K497-T499 VanDerWaalsContact O-N 3.08Å; T499-N501 PolarHBondContact O-N 2.71Å; T499-F502 WeakPolarHBondContact O-CB 2.99Å; T499-F502 PolarHBondContact O-N 3.11Å; T499-F502 VanDerWaalsContact O-N 3.09Å; T499-F502 WeakPolarHBondContact OG1-CD2 3.27Å; T499-F502 PolarHBondContact OG1-N 3.22Å; T499-Q503 WeakPolarHBondContact O-CG 3.42Å; T499-Q503 PolarHBondContact O-N 3.32Å
500	L	84.5	Confident	68.8	Low	109 Å²	109	73 Å²	73	57%	0.571	35%	0.351	S	S	*	.	H	α-helix	trans	-59	-34.4	176.5	-72.4	173.9	0	0	0	112.3	F502 Q503 H504	L500-F502 VanDerWaalsContact C-N 3.3Å; L500-F502 PolarHBondContact O-N 2.86Å; L500-Q503 WeakPolarHBondContact O-CB 3.49Å; L500-Q503 PolarHBondContact O-N 2.83Å; L500-H504 PolarHBondContact O-CD2 2.96Å; L500-H504 PolarHBondContact O-N 3.25Å
501	N	86.7	Confident	70.5	Confident	78 Å²	78	65.7 Å²	65.7	42%	0.417	32%	0.319	S	S	.	.	H	α-helix	trans	-63.4	-39.3	176.6	-64	6.8	0	0	0	111.5	T499 M505 L558	T499-N501 PolarHBondContact O-N 2.71Å; N501-M505 PolarHBondContact O-N 3.14Å; N501-M505 VanDerWaalsContact O-N 3.12Å; N501-L558 HydrophobicContact CB-CD2 4.17Å; N501-L558 PolarHBondContact ND2-O 3.17Å; N501-L558 VanDerWaalsContact ND2-O 3.16Å
502	F	85.5	Confident	72.1	Confident	44 Å²	44	56.3 Å²	56.3	19%	0.193	28%	0.284	C	S	.	.	H	α-helix	trans	-68.9	-38.7	175.5	-79.7	-132	0	0	0	110.6	D244 L247 I498 T499 L500 M505 I506	D244-F502 HydrophobicContact CB-CZ 4.46Å; L247-F502 HydrophobicContact CB-CD1 4Å; L247-F502 HydrophobicContact CB-CE1 3.86Å; L247-F502 HydrophobicContact CD1-CB 4.48Å; L247-F502 HydrophobicContact CD1-CD1 3.96Å; L247-F502 HydrophobicContact CD1-CG 4.47Å; L247-F502 HydrophobicContact CD2-CD1 4.27Å; L247-F502 HydrophobicContact CD2-CE1 4.44Å; L247-F502 HydrophobicContact CG-CD1 4.3Å; I498-F502 HydrophobicContact CG2-CB 3.91Å; T499-F502 WeakPolarHBondContact O-CB 2.99Å; T499-F502 PolarHBondContact O-N 3.11Å; T499-F502 VanDerWaalsContact O-N 3.09Å; T499-F502 WeakPolarHBondContact OG1-CD2 3.27Å; T499-F502 PolarHBondContact OG1-N 3.22Å; L500-F502 VanDerWaalsContact C-N 3.3Å; L500-F502 PolarHBondContact O-N 2.86Å; F502-M505 WeakPolarHBondContact O-CB 3.31Å; F502-M505 PolarHBondContact O-N 3.33Å; F502-I506 WeakPolarHBondContact O-CD1 3.33Å; F502-I506 VanDerWaalsContact O-CG1 3.22Å; F502-I506 WeakPolarHBondContact O-CG1 3.04Å; F502-I506 PolarHBondContact O-N 3.06Å
503	Q	89.4	Confident	73.9	Confident	16 Å²	16	50.5 Å²	50.5	8%	0.075	26%	0.259	C	S	.	.	H	α-helix	trans	-61	-45.3	175.3	-69.1	173.7	38.5	0	0	112.4	Y427 T430 I498 T499 L500 M505 I506 F507	Y427-Q503 HydrophobicContact CD1-CB 4.35Å; Y427-Q503 HydrophobicContact CE1-CB 4.15Å; T430-Q503 VanDerWaalsContact CG2-CD 3.41Å; T430-Q503 HydrophobicContact CG2-CG 3.53Å; T430-Q503 VanDerWaalsContact CG2-NE2 3.31Å; I498-Q503 HydrophobicContact CG2-CG 3.91Å; I498-Q503 PolarHBondContact O-NE2 2.9Å; T499-Q503 WeakPolarHBondContact O-CG 3.42Å; T499-Q503 PolarHBondContact O-N 3.32Å; L500-Q503 WeakPolarHBondContact O-CB 3.49Å; L500-Q503 PolarHBondContact O-N 2.83Å; Q503-M505 VanDerWaalsContact C-N 3.26Å; Q503-M505 PolarHBondContact O-N 3.31Å; Q503-I506 PolarHBondContact O-N 3.42Å; Q503-F507 WeakPolarHBondContact O-CB 3.5Å; Q503-F507 PolarHBondContact O-N 3.31Å
504	H	89.3	Confident	76	Confident	75 Å²	75	46.9 Å²	46.9	35%	0.347	24%	0.241	S	C	.	.	H	α-helix	trans	-62.5	-36	175.7	-68.3	-46.9	0	0	0	111.9	Y427 L500 F508 L558	Y427-H504 AromaticContact CE1-ND1 4Å; Y427-H504 AromaticContact CZ-ND1 3.89Å; Y427-H504 PolarHBondContact OH-CE1 3.24Å; Y427-H504 PolarHBondContact OH-ND1 2.86Å; L500-H504 PolarHBondContact O-CD2 2.96Å; L500-H504 PolarHBondContact O-N 3.25Å; H504-F508 WeakPolarHBondContact O-CB 3.19Å; H504-F508 PolarHBondContact O-N 3.02Å; H504-L558 HydrophobicContact CB-CD1 4.36Å; H504-L558 HydrophobicContact CB-CD2 3.88Å
505	M	86.6	Confident	78.2	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-68.8	-40.9	175.1	-161.2	65.7	-161.1	0	0	112.5	F238 L247 N501 F502 Q503 F508 S509 L554 L555 L558 I560	F238-M505 HydrophobicContact CD1-CE 4.37Å; F238-M505 HydrophobicContact CE1-CE 3.12Å; F238-M505 HydrophobicContact CZ-CE 3.23Å; F238-M505 HydrophobicContact CZ-CG 4.02Å; F238-M505 HydrophobicContact CZ-SD 4.49Å; L247-M505 HydrophobicContact CD2-CB 4.24Å; L247-M505 HydrophobicContact CD2-CG 4Å; N501-M505 PolarHBondContact O-N 3.14Å; N501-M505 VanDerWaalsContact O-N 3.12Å; F502-M505 WeakPolarHBondContact O-CB 3.31Å; F502-M505 PolarHBondContact O-N 3.33Å; Q503-M505 VanDerWaalsContact C-N 3.26Å; Q503-M505 PolarHBondContact O-N 3.31Å; M505-F508 CarbonylContact O-C 3.38Å; M505-F508 PolarHBondContact O-N 3.31Å; M505-S509 WeakPolarHBondContact O-CB 3.47Å; M505-S509 PolarHBondContact O-N 3.35Å; M505-S509 PolarHBondContact O-OG 2.77Å; M505-L554 HydrophobicContact SD-CD2 4.09Å; M505-L554 HydrophobicContact SD-CG 4.37Å; M505-L555 HydrophobicContact CE-CD1 4.18Å; M505-L555 HydrophobicContact CE-CD2 3.51Å; M505-L555 HydrophobicContact CE-CG 3.54Å; M505-L555 HydrophobicContact CG-CD2 4.43Å; M505-L555 HydrophobicContact SD-CD2 3.77Å; M505-L555 HydrophobicContact SD-CG 4.13Å; M505-L558 HydrophobicContact CB-CD1 4.12Å; M505-L558 HydrophobicContact SD-CD1 3.76Å; M505-I560 HydrophobicContact CB-CD1 3.63Å; M505-I560 HydrophobicContact CG-CD1 3.69Å; M505-I560 HydrophobicContact SD-CD1 3.97Å
506	I	87.6	Confident	80.1	Confident	4 Å²	4	34.6 Å²	34.6	2%	0.021	18%	0.175	C	C	.	.	H	α-helix	trans	-65.1	-40.5	175.7	-65.5	161	0	0	0	110.7	L247 L250 V251 V426 I498 F502 Q503 F508 S509	L247-I506 HydrophobicContact CD1-CD1 4.14Å; L247-I506 HydrophobicContact CD1-CG1 3.72Å; L250-I506 HydrophobicContact CD2-CD1 3.75Å; V251-I506 HydrophobicContact CG2-CG1 3.86Å; V426-I506 HydrophobicContact CG1-CB 4.22Å; V426-I506 HydrophobicContact CG1-CG2 3.89Å; V426-I506 HydrophobicContact CG2-CG2 4.1Å; I498-I506 HydrophobicContact CG2-CD1 4.2Å; F502-I506 WeakPolarHBondContact O-CD1 3.33Å; F502-I506 VanDerWaalsContact O-CG1 3.22Å; F502-I506 WeakPolarHBondContact O-CG1 3.04Å; F502-I506 PolarHBondContact O-N 3.06Å; Q503-I506 PolarHBondContact O-N 3.42Å; I506-F508 VanDerWaalsContact C-N 3.34Å; I506-F508 PolarHBondContact O-N 3.24Å; I506-S509 WeakPolarHBondContact CA-OG 3.27Å; I506-S509 PolarHBondContact O-N 3.29Å; I506-S509 PolarHBondContact O-OG 3.47Å
507	F	87.9	Confident	81.4	Confident	58 Å²	58	31.8 Å²	31.8	25%	0.254	16%	0.16	S	C	.	.	H	α-helix	trans	-60.4	-45.3	173.9	168.6	-100.7	0	0	0	111.4	V419 R422 A423 V426 Q503	V419-F507 HydrophobicContact CG1-CZ 3.99Å; R422-F507 HydrophobicContact CB-CD2 4.03Å; R422-F507 HydrophobicContact CB-CE2 3.92Å; A423-F507 HydrophobicContact CB-CD2 4.31Å; A423-F507 HydrophobicContact CB-CE2 3.83Å; V426-F507 HydrophobicContact CG1-CB 4.43Å; Q503-F507 WeakPolarHBondContact O-CB 3.5Å; Q503-F507 PolarHBondContact O-N 3.31Å
508	F	84.9	Confident	82.2	Confident	44 Å²	44	26.7 Å²	26.7	19%	0.193	14%	0.138	C	C	.	.	H	α-helix	trans	-73.8	-27.9	178.4	-173.6	-92.4	0	0	0	113.1	H504 M505 I506 G510 L511 F550 A551 L554	H504-F508 WeakPolarHBondContact O-CB 3.19Å; H504-F508 PolarHBondContact O-N 3.02Å; M505-F508 CarbonylContact O-C 3.38Å; M505-F508 PolarHBondContact O-N 3.31Å; I506-F508 VanDerWaalsContact C-N 3.34Å; I506-F508 PolarHBondContact O-N 3.24Å; F508-G510 PolarHBondContact O-N 2.83Å; F508-G510 VanDerWaalsContact O-N 3.12Å; F508-L511 HydrophobicContact CD1-CD1 4.11Å; F508-L511 HydrophobicContact CE1-CD1 3.57Å; F508-L511 HydrophobicContact CZ-CD1 3.86Å; F508-L511 WeakPolarHBondContact O-CD1 3.45Å; F508-L511 WeakPolarHBondContact O-CG 3.31Å; F508-F550 HydrophobicContact CE2-CB 4.02Å; F508-F550 HydrophobicContact CZ-CB 3.57Å; F508-A551 HydrophobicContact CE1-CB 3.9Å; F508-L554 HydrophobicContact CB-CD2 3.28Å; F508-L554 HydrophobicContact CD1-CD2 3.5Å; F508-L554 VanDerWaalsContact CD1-CD2 3.5Å; F508-L554 HydrophobicContact CD2-CD2 3.58Å; F508-L554 HydrophobicContact CE1-CD2 4.22Å; F508-L554 HydrophobicContact CE2-CD2 4.27Å; F508-L554 HydrophobicContact CG-CD2 3.13Å
509	S	79.4	Confident	82.7	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.014	14%	0.136	C	C	.	.	H	α-helix	trans	-67.5	-11.7	179.3	64.8	0	0	0	0	113.3	V234 V251 M505 I506 L511	V234-S509 WeakPolarHBondContact CG2-O 3.41Å; V251-S509 VanDerWaalsContact CG1-OG 3.23Å; V251-S509 WeakPolarHBondContact CG1-OG 3.27Å; M505-S509 WeakPolarHBondContact O-CB 3.47Å; M505-S509 PolarHBondContact O-N 3.35Å; M505-S509 PolarHBondContact O-OG 2.77Å; I506-S509 WeakPolarHBondContact CA-OG 3.27Å; I506-S509 PolarHBondContact O-N 3.29Å; I506-S509 PolarHBondContact O-OG 3.47Å; S509-L511 PolarHBondContact O-N 3.45Å
510	G	69.1	Low	82.9	Confident	11 Å²	11	23.2 Å²	23.2	11%	0.113	12%	0.118	C	C	.	.			trans	-73.2	39.7	176.3	0	0	0	0	0	115.5	L231 F508	L231-G510 WeakPolarHBondContact CD2-O 3.33Å; F508-G510 PolarHBondContact O-N 2.83Å; F508-G510 VanDerWaalsContact O-N 3.12Å
511	L	68.2	Low	82.9	Confident	21 Å²	21	18.8 Å²	18.8	11%	0.11	9%	0.094	C	C	.	.			trans	-84.6	138.9	176.7	-63.3	153.5	0	0	0	111.1	L231 V234 F508 S509 T543	L231-L511 VanDerWaalsContact CD2-O 3.29Å; L231-L511 WeakPolarHBondContact CD2-O 3.46Å; V234-L511 HydrophobicContact CG2-CB 3.57Å; V234-L511 HydrophobicContact CG2-CD1 3.35Å; V234-L511 HydrophobicContact CG2-CG 3.84Å; F508-L511 HydrophobicContact CD1-CD1 4.11Å; F508-L511 HydrophobicContact CE1-CD1 3.57Å; F508-L511 HydrophobicContact CZ-CD1 3.86Å; F508-L511 WeakPolarHBondContact O-CD1 3.45Å; F508-L511 WeakPolarHBondContact O-CG 3.31Å; S509-L511 PolarHBondContact O-N 3.45Å; L511-T543 HydrophobicContact CD2-CG2 4.12Å
512	R	69.5	Low	82.7	Confident	6 Å²	6	21.2 Å²	21.2	2%	0.023	10%	0.097	C	C	.	.			trans	-77.5	144	-165.7	-57.1	-75.6	169.4	-159.2	15.2	111.6	V228 I229 V230 L231 T233 C418 I539 V540 T543	V228-R512 VanDerWaalsContact C-CZ 3.48Å; V228-R512 WeakPolarHBondContact O-CD 3.47Å; V228-R512 PolarHBondContact O-NE 3.38Å; V228-R512 PolarHBondContact O-NH1 3.39Å; V228-R512 PolarHBondContact O-NH2 3.1Å; V228-R512 VanDerWaalsContact O-NH2 3.08Å; I229-R512 VanDerWaalsContact CA-NH1 3.28Å; I229-R512 PolarHBondContact O-NH1 2.94Å; V230-R512 WeakPolarHBondContact O-CD 3.47Å; V230-R512 PolarHBondContact O-NH1 3.34Å; L231-R512 HydrophobicContact CD2-CG 4.46Å; L231-R512 VanDerWaalsContact CG-NH1 3.32Å; T233-R512 VanDerWaalsContact OG1-C 3.27Å; T233-R512 PolarHBondContact OG1-O 2.93Å; C418-R512 PolarHBondContact SG-NE 3.16Å; C418-R512 PolarHBondContact SG-NH2 3.37Å; R512-I539 HydrophobicContact CB-CG2 4.24Å; R512-I539 HydrophobicContact CG-CG2 3.71Å; R512-V540 HydrophobicContact CB-CG2 4.2Å; R512-T543 WeakPolarHBondContact CB-OG1 2.99Å; R512-T543 HydrophobicContact CG-CG2 4.29Å; R512-T543 PolarHBondContact N-OG1 3.37Å
513	G	72.8	Confident	82.4	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.102	C	C	.	.			trans	-122.5	-176.4	-173	0	0	0	0	0	114.2	T233 M515 A516	T233-G513 VanDerWaalsContact OG1-CA 3.26Å; T233-G513 WeakPolarHBondContact OG1-CA 3.49Å; G513-M515 VanDerWaalsContact C-N 3.26Å; G513-M515 PolarHBondContact O-N 3.47Å; G513-A516 PolarHBondContact O-N 3.07Å
514	A	82.1	Confident	82	Confident	9 Å²	9	21.5 Å²	21.5	7%	0.074	10%	0.102	C	C	.	.	H	α-helix	trans	-60	-29.5	-174.8	0	0	0	0	0	116.2	F155 V390 I394 A516 F517 S518	F155-A514 HydrophobicContact CE2-CB 4.41Å; V390-A514 HydrophobicContact CG1-CB 3.04Å; I394-A514 VanDerWaalsContact CD1-CA 3.44Å; I394-A514 HydrophobicContact CD1-CB 3.36Å; A514-A516 VanDerWaalsContact C-N 3.28Å; A514-A516 PolarHBondContact O-N 2.9Å; A514-F517 WeakPolarHBondContact O-CB 3.48Å; A514-F517 PolarHBondContact O-N 3.05Å; A514-F517 VanDerWaalsContact O-N 3.17Å; A514-S518 PolarHBondContact O-N 2.96Å
515	M	85.3	Confident	81.4	Confident	5 Å²	5	21.5 Å²	21.5	3%	0.025	11%	0.11	C	C	.	.	H	α-helix	trans	-62.7	-35.2	-179.2	-73.1	-75.1	-95	0	0	112.1	F155 F156 L160 V230 V232 D259 I349 G513 F517 S518 L519	F155-M515 HydrophobicContact CE1-CG 4.45Å; F155-M515 HydrophobicContact CE1-SD 3.35Å; F155-M515 WeakPolarHBondContact CE1-SD 3.2Å; F155-M515 HydrophobicContact CZ-CG 4.08Å; F155-M515 HydrophobicContact CZ-SD 3.46Å; F155-M515 WeakPolarHBondContact CZ-SD 3.13Å; F156-M515 HydrophobicContact CE1-SD 4.44Å; L160-M515 HydrophobicContact CD1-CE 3.59Å; L160-M515 HydrophobicContact CD1-CG 4.22Å; L160-M515 HydrophobicContact CD1-SD 3.28Å; L160-M515 WeakPolarHBondContact CD1-SD 3.29Å; L160-M515 HydrophobicContact CD2-CE 3.45Å; L160-M515 VanDerWaalsContact CD2-CE 3.45Å; L160-M515 HydrophobicContact CD2-SD 3.55Å; L160-M515 VanDerWaalsContact CD2-SD 3.55Å; L160-M515 HydrophobicContact CG-CE 4.1Å; L160-M515 HydrophobicContact CG-SD 4Å; V230-M515 HydrophobicContact CG1-CB 3.1Å; V230-M515 HydrophobicContact CG1-CG 4.37Å; V232-M515 HydrophobicContact CG2-CG 4.12Å; D259-M515 HydrophobicContact CB-CE 4.36Å; I349-M515 HydrophobicContact CD1-CE 3.98Å; I349-M515 HydrophobicContact CG1-CE 4.47Å; G513-M515 VanDerWaalsContact C-N 3.26Å; G513-M515 PolarHBondContact O-N 3.47Å; M515-F517 VanDerWaalsContact C-N 3.32Å; M515-F517 PolarHBondContact O-N 3.43Å; M515-S518 PolarHBondContact O-N 3.19Å; M515-S518 PolarHBondContact O-OG 3.36Å; M515-L519 WeakPolarHBondContact O-CB 3.34Å; M515-L519 WeakPolarHBondContact O-CD1 3.43Å; M515-L519 VanDerWaalsContact O-CG 3.29Å; M515-L519 WeakPolarHBondContact O-CG 3.2Å; M515-L519 PolarHBondContact O-N 3.48Å; M515-L519 VanDerWaalsContact O-N 3.15Å
516	A	87.3	Confident	80.9	Confident	1 Å²	1	23.7 Å²	23.7	1%	0.008	13%	0.126	C	C	.	.	H	α-helix	trans	-65	-40.8	176.5	0	0	0	0	0	111.2	F227 V230 G513 A514 A520 I536 V540	F227-A516 WeakPolarHBondContact O-CB 3.44Å; V230-A516 HydrophobicContact CB-CB 4.15Å; V230-A516 HydrophobicContact CG1-CB 4.21Å; V230-A516 VanDerWaalsContact CG1-N 3.3Å; G513-A516 PolarHBondContact O-N 3.07Å; A514-A516 VanDerWaalsContact C-N 3.28Å; A514-A516 PolarHBondContact O-N 2.9Å; A516-A520 WeakPolarHBondContact O-CB 3.4Å; A516-A520 PolarHBondContact O-N 3.06Å; A516-A520 VanDerWaalsContact O-N 3.11Å; A516-I536 HydrophobicContact CB-CG2 3.88Å; A516-V540 HydrophobicContact CB-CG2 4.35Å
517	F	87.4	Confident	80.6	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.6	-47.5	177.8	168.1	-88	0	0	0	111.7	F150 I394 S397 A514 M515 L519 A520 I521 F533 I537	F150-F517 HydrophobicContact CB-CE1 3.92Å; F150-F517 HydrophobicContact CB-CZ 4.19Å; F150-F517 AromaticContact CD1-CE1 3.89Å; F150-F517 HydrophobicContact CD1-CE1 3.89Å; F150-F517 AromaticContact CD2-CE1 3.85Å; F150-F517 HydrophobicContact CD2-CE1 3.85Å; F150-F517 HydrophobicContact CE1-CD1 4.41Å; F150-F517 HydrophobicContact CE1-CE1 4.16Å; F150-F517 HydrophobicContact CE2-CE1 4.17Å; F150-F517 AromaticContact CG-CE1 3.66Å; F150-F517 HydrophobicContact CG-CE1 3.66Å; F150-F517 HydrophobicContact CG-CZ 4.42Å; F150-F517 HydrophobicContact CZ-CD1 4.36Å; F150-F517 HydrophobicContact CZ-CE1 4.27Å; I394-F517 HydrophobicContact CD1-CB 4.38Å; I394-F517 HydrophobicContact CD1-CD1 4.31Å; I394-F517 HydrophobicContact CD1-CG 4.42Å; I394-F517 HydrophobicContact CG1-CB 4.43Å; I394-F517 HydrophobicContact CG1-CD1 3.65Å; I394-F517 HydrophobicContact CG1-CE1 4.03Å; I394-F517 HydrophobicContact CG1-CG 3.94Å; I394-F517 HydrophobicContact CG2-CD2 4.2Å; I394-F517 HydrophobicContact CG2-CG 4.33Å; S397-F517 WeakPolarHBondContact OG-CZ 3.26Å; A514-F517 WeakPolarHBondContact O-CB 3.48Å; A514-F517 PolarHBondContact O-N 3.05Å; A514-F517 VanDerWaalsContact O-N 3.17Å; M515-F517 VanDerWaalsContact C-N 3.32Å; M515-F517 PolarHBondContact O-N 3.43Å; F517-L519 VanDerWaalsContact C-N 3.32Å; F517-L519 PolarHBondContact O-N 3.15Å; F517-A520 PolarHBondContact O-N 3.41Å; F517-A520 VanDerWaalsContact O-N 3.15Å; F517-I521 HydrophobicContact CE1-CG2 4.41Å; F517-I521 HydrophobicContact CZ-CD1 4.22Å; F517-I521 PolarHBondContact O-N 2.94Å; F517-F533 AromaticContact CD2-CE2 3.77Å; F517-F533 HydrophobicContact CD2-CE2 3.77Å; F517-F533 HydrophobicContact CD2-CZ 4.46Å; F517-F533 AromaticContact CE2-CE2 3.35Å; F517-F533 HydrophobicContact CE2-CE2 3.35Å; F517-F533 AromaticContact CE2-CZ 3.64Å; F517-F533 HydrophobicContact CE2-CZ 3.64Å; F517-F533 AromaticContact CZ-CE2 3.91Å; F517-F533 HydrophobicContact CZ-CE2 3.91Å; F517-F533 HydrophobicContact CZ-CZ 4.07Å; F517-I537 HydrophobicContact CD2-CD1 4.42Å; F517-I537 HydrophobicContact CD2-CG1 3.66Å; F517-I537 HydrophobicContact CE2-CD1 4.01Å; F517-I537 HydrophobicContact CE2-CG1 3.71Å
518	S	85.5	Confident	80.4	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.9	-36.2	-178.1	65.4	0	0	0	0	112.7	F150 F155 F156 A514 M515 I521 R522	F150-S518 VanDerWaalsContact CE1-CB 3.47Å; F155-S518 VanDerWaalsContact CD1-CB 3.41Å; F155-S518 WeakPolarHBondContact CD1-OG 3.46Å; F155-S518 WeakPolarHBondContact CE1-OG 3.45Å; F156-S518 WeakPolarHBondContact CZ-OG 3.32Å; A514-S518 PolarHBondContact O-N 2.96Å; M515-S518 PolarHBondContact O-N 3.19Å; M515-S518 PolarHBondContact O-OG 3.36Å; S518-I521 WeakPolarHBondContact O-CG2 3.36Å; S518-R522 PolarHBondContact O-N 3.12Å
519	L	85.3	Confident	80.4	Confident	3 Å²	3	27.6 Å²	27.6	2%	0.016	15%	0.145	C	C	.	.	H	α-helix	trans	-68.9	-37.7	174.4	-70.5	166.9	0	0	0	111.8	F156 F227 V230 I263 M515 F517	F156-L519 HydrophobicContact CE1-CD2 4.11Å; F156-L519 HydrophobicContact CE1-CG 4.45Å; F156-L519 HydrophobicContact CE2-CD2 4.49Å; F156-L519 HydrophobicContact CZ-CD2 3.57Å; F156-L519 HydrophobicContact CZ-CG 3.91Å; F227-L519 HydrophobicContact CD1-CB 3.67Å; F227-L519 HydrophobicContact CE1-CB 3.71Å; F227-L519 VanDerWaalsContact CE1-O 3.28Å; F227-L519 WeakPolarHBondContact CE1-O 3.34Å; V230-L519 HydrophobicContact CG2-CD1 3.85Å; I263-L519 HydrophobicContact CD1-CD1 4.26Å; I263-L519 HydrophobicContact CD1-CD2 4.13Å; I263-L519 HydrophobicContact CG1-CD1 3.99Å; I263-L519 HydrophobicContact CG1-CD2 4.07Å; M515-L519 WeakPolarHBondContact O-CB 3.34Å; M515-L519 WeakPolarHBondContact O-CD1 3.43Å; M515-L519 VanDerWaalsContact O-CG 3.29Å; M515-L519 WeakPolarHBondContact O-CG 3.2Å; M515-L519 PolarHBondContact O-N 3.48Å; M515-L519 VanDerWaalsContact O-N 3.15Å; F517-L519 VanDerWaalsContact C-N 3.32Å; F517-L519 PolarHBondContact O-N 3.15Å
520	A	86.5	Confident	80.7	Confident	2 Å²	2	29.3 Å²	29.3	2%	0.017	15%	0.151	C	C	.	.	H	α-helix	trans	-72.7	-36.2	-178.9	0	0	0	0	0	112.9	F227 A516 F517 F533 I536	F227-A520 HydrophobicContact CD1-CB 4.15Å; F227-A520 HydrophobicContact CE1-CB 4.42Å; F227-A520 HydrophobicContact CG-CB 4.37Å; A516-A520 WeakPolarHBondContact O-CB 3.4Å; A516-A520 PolarHBondContact O-N 3.06Å; A516-A520 VanDerWaalsContact O-N 3.11Å; F517-A520 PolarHBondContact O-N 3.41Å; F517-A520 VanDerWaalsContact O-N 3.15Å; A520-F533 HydrophobicContact CB-CB 4.47Å; A520-F533 HydrophobicContact CB-CD2 4.04Å; A520-I536 HydrophobicContact CB-CB 4.22Å; A520-I536 HydrophobicContact CB-CG1 4.24Å; A520-I536 HydrophobicContact CB-CG2 4.3Å
521	I	84.8	Confident	81.5	Confident	16 Å²	16	29 Å²	29	8%	0.082	15%	0.147	C	C	.	.	H	α-helix	trans	-74.9	-26.1	177.8	-159.8	177.8	0	0	0	112.9	F150 P152 F517 S518 N523 F533	F150-I521 HydrophobicContact CB-CD1 3.75Å; F150-I521 HydrophobicContact CD1-CD1 4.39Å; F150-I521 HydrophobicContact CD1-CG2 3.43Å; F150-I521 VanDerWaalsContact CD1-CG2 3.43Å; F150-I521 HydrophobicContact CE1-CG2 3.84Å; F150-I521 HydrophobicContact CG-CG2 4.44Å; P152-I521 HydrophobicContact CB-CG2 4.33Å; F517-I521 HydrophobicContact CE1-CG2 4.41Å; F517-I521 HydrophobicContact CZ-CD1 4.22Å; F517-I521 PolarHBondContact O-N 2.94Å; S518-I521 WeakPolarHBondContact O-CG2 3.36Å; I521-N523 PolarHBondContact O-N 3.33Å; I521-N523 VanDerWaalsContact O-N 3.1Å; I521-F533 HydrophobicContact CB-CD2 3.9Å; I521-F533 HydrophobicContact CB-CE2 3.49Å; I521-F533 VanDerWaalsContact CB-CE2 3.49Å; I521-F533 HydrophobicContact CB-CZ 4.07Å; I521-F533 HydrophobicContact CD1-CE2 4.1Å; I521-F533 HydrophobicContact CD1-CZ 3.81Å; I521-F533 HydrophobicContact CG1-CD2 4.34Å; I521-F533 HydrophobicContact CG1-CE1 4.47Å; I521-F533 HydrophobicContact CG1-CE2 3.76Å; I521-F533 HydrophobicContact CG1-CZ 3.79Å
522	R	83.2	Confident	82.5	Confident	128 Å²	128	28.1 Å²	28.1	48%	0.483	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-31.5	179.6	-170.6	178.4	71.5	177.6	3.8	113.4	P152 S518	P152-R522 HydrophobicContact CB-CB 4.18Å; P152-R522 HydrophobicContact CB-CG 4.41Å; P152-R522 HydrophobicContact CG-CB 4.33Å; P152-R522 HydrophobicContact CG-CG 4.33Å; S518-R522 PolarHBondContact O-N 3.12Å
523	N	79.1	Confident	83.3	Confident	55 Å²	55	27.8 Å²	27.8	29%	0.294	14%	0.141	S	C	.	.			trans	-133.8	103.7	175.5	-175.5	-6.2	0	0	0	109.7	I521 S525 R529	I521-N523 PolarHBondContact O-N 3.33Å; I521-N523 VanDerWaalsContact O-N 3.1Å; N523-S525 WeakPolarHBondContact OD1-CB 3.37Å; N523-S525 PolarHBondContact OD1-N 2.87Å; N523-S525 PolarHBondContact OD1-OG 3.17Å; N523-R529 VanDerWaalsContact O-CB 3.29Å; N523-R529 WeakPolarHBondContact O-CB 3.49Å
524	T	80.1	Confident	84.2	Confident	11 Å²	11	27.9 Å²	27.9	7%	0.067	14%	0.141	C	C	.	.			trans	-119.9	23.5	175.4	57.6	0	0	0	0	112.1	Q136 F401 R530 F533	Q136-T524 PolarHBondContact NE2-O 3.22Å; Q136-T524 PolarHBondContact NE2-OG1 3.29Å; F401-T524 HydrophobicContact CZ-CG2 4.37Å; T524-R530 WeakPolarHBondContact O-CG 3.34Å; T524-R530 PolarHBondContact O-NE 3.01Å; T524-R530 VanDerWaalsContact O-NE 3.13Å; T524-F533 HydrophobicContact CG2-CB 4.23Å; T524-F533 HydrophobicContact CG2-CD1 4.43Å; T524-F533 HydrophobicContact CG2-CG 4.27Å
525	S	76	Confident	84.5	Confident	75 Å²	75	27.4 Å²	27.4	52%	0.524	14%	0.138	S	C	.	.			trans	-63.8	-45.3	-174.6	56.7	0	0	0	0	113.1	N523	N523-S525 WeakPolarHBondContact OD1-CB 3.37Å; N523-S525 PolarHBondContact OD1-N 2.87Å; N523-S525 PolarHBondContact OD1-OG 3.17Å
526	S	77.7	Confident	84.8	Confident	47 Å²	47	27.3 Å²	27.3	33%	0.329	14%	0.137	S	C	.	.	S	Bend	trans	-96.4	158.3	-180	74.9	0	0	0	0	112.7	I528 R529 R530	S526-I528 PolarHBondContact O-N 2.92Å; S526-R529 WeakPolarHBondContact O-CB 3.29Å; S526-R529 PolarHBondContact O-N 3.28Å; S526-R529 VanDerWaalsContact O-N 3.08Å; S526-R529 WeakPolarHBondContact OG-CG 3.49Å; S526-R529 PolarHBondContact OG-N 3.36Å; S526-R530 WeakPolarHBondContact O-CG 3.16Å; S526-R530 PolarHBondContact O-N 3.35Å
527	E	80.9	Confident	84.9	Confident	130 Å²	130	27.3 Å²	27.3	61%	0.607	14%	0.137	S	C	*	.	H	α-helix	trans	-57.7	-38.7	174.5	-61.6	-171.9	143.8	0	0	112.1	R529 R530 M531	E527-R529 VanDerWaalsContact C-N 3.34Å; E527-R529 PolarHBondContact O-N 3.41Å; E527-R530 PolarHBondContact O-N 3.3Å; E527-M531 PolarHBondContact O-N 3.18Å
528	I	83.7	Confident	85	Confident	27 Å²	27	29.3 Å²	29.3	14%	0.138	15%	0.149	C	C	.	.	H	α-helix	trans	-59	-47	174.7	-63.3	169.6	0	0	0	110.4	I215 L216 D220 S526 R530 M531 F532	I215-I528 HydrophobicContact CG2-CD1 3.63Å; I215-I528 HydrophobicContact CG2-CG1 3.44Å; I215-I528 VanDerWaalsContact CG2-CG1 3.44Å; I215-I528 WeakPolarHBondContact O-CD1 3.22Å; L216-I528 HydrophobicContact CD2-CB 4.45Å; L216-I528 HydrophobicContact CD2-CD1 4.33Å; L216-I528 HydrophobicContact CD2-CG1 4.14Å; L216-I528 HydrophobicContact CD2-CG2 3.57Å; D220-I528 HydrophobicContact CB-CG2 4.39Å; S526-I528 PolarHBondContact O-N 2.92Å; I528-R530 PolarHBondContact O-N 3.48Å; I528-M531 WeakPolarHBondContact O-CB 3.2Å; I528-M531 PolarHBondContact O-N 2.98Å; I528-F532 HydrophobicContact CG2-CD1 4.33Å; I528-F532 HydrophobicContact CG2-CD2 4.22Å; I528-F532 HydrophobicContact CG2-CE1 3.76Å; I528-F532 HydrophobicContact CG2-CE2 3.62Å; I528-F532 HydrophobicContact CG2-CZ 3.38Å; I528-F532 WeakPolarHBondContact O-CD1 3.43Å; I528-F532 VanDerWaalsContact O-CG 3.3Å; I528-F532 WeakPolarHBondContact O-CG 3.3Å; I528-F532 PolarHBondContact O-N 3.32Å
529	R	84.2	Confident	85.2	Confident	30 Å²	30	29.5 Å²	29.5	11%	0.113	15%	0.15	C	C	.	.	H	α-helix	trans	-66.4	-36.4	179.6	-68.9	-73.9	-172.9	169	8	111.8	E270 N523 S526 E527 F532 F533	E270-R529 IonicContact OE1-CZ 3.58Å; E270-R529 IonicContact OE1-NH1 3.53Å; E270-R529 IonicContact OE1-NH2 3.12Å; E270-R529 PolarHBondContact OE1-NH2 3.34Å; N523-R529 VanDerWaalsContact O-CB 3.29Å; N523-R529 WeakPolarHBondContact O-CB 3.49Å; S526-R529 WeakPolarHBondContact O-CB 3.29Å; S526-R529 PolarHBondContact O-N 3.28Å; S526-R529 VanDerWaalsContact O-N 3.08Å; S526-R529 WeakPolarHBondContact OG-CG 3.49Å; S526-R529 PolarHBondContact OG-N 3.36Å; E527-R529 VanDerWaalsContact C-N 3.34Å; E527-R529 PolarHBondContact O-N 3.41Å; R529-F532 PolarHBondContact O-N 3.43Å; R529-F533 PolarHBondContact O-N 3.05Å
530	R	85.6	Confident	85.3	Confident	38 Å²	38	29.5 Å²	29.5	14%	0.143	15%	0.15	C	C	.	.	H	α-helix	trans	-66.1	-36.4	171.8	-66.5	179.2	-173.6	-177.5	1.4	112.9	T524 S526 E527 I528 S534	T524-R530 WeakPolarHBondContact O-CG 3.34Å; T524-R530 PolarHBondContact O-NE 3.01Å; T524-R530 VanDerWaalsContact O-NE 3.13Å; S526-R530 WeakPolarHBondContact O-CG 3.16Å; S526-R530 PolarHBondContact O-N 3.35Å; E527-R530 PolarHBondContact O-N 3.3Å; I528-R530 PolarHBondContact O-N 3.48Å; R530-S534 PolarHBondContact O-N 2.96Å; R530-S534 VanDerWaalsContact O-N 3.09Å; R530-S534 PolarHBondContact O-OG 3.48Å
531	M	86.5	Confident	85.4	Confident	5 Å²	5	30.2 Å²	30.2	3%	0.025	15%	0.153	C	C	.	.	H	α-helix	trans	-64.1	-43.8	172.2	-174	-163.2	-70.9	0	0	110.6	L212 Y405 N407 F410 E527 I528 T535	L212-M531 HydrophobicContact CD2-CE 4.37Å; L212-M531 HydrophobicContact CD2-SD 4.41Å; Y405-M531 HydrophobicContact CD1-CB 3.82Å; Y405-M531 HydrophobicContact CD1-CE 3.91Å; Y405-M531 HydrophobicContact CD1-CG 3.95Å; Y405-M531 HydrophobicContact CE1-CE 3.46Å; Y405-M531 VanDerWaalsContact CE1-CE 3.46Å; Y405-M531 HydrophobicContact CE1-CG 4.41Å; N407-M531 HydrophobicContact CB-CE 4.47Å; N407-M531 HydrophobicContact CB-CG 4.4Å; F410-M531 HydrophobicContact CB-SD 4.29Å; F410-M531 HydrophobicContact CD1-CG 4.03Å; F410-M531 HydrophobicContact CD1-SD 3.79Å; F410-M531 HydrophobicContact CD2-SD 4.35Å; F410-M531 HydrophobicContact CE1-CG 4.42Å; F410-M531 HydrophobicContact CE1-SD 4.15Å; F410-M531 HydrophobicContact CG-SD 3.88Å; E527-M531 PolarHBondContact O-N 3.18Å; I528-M531 WeakPolarHBondContact O-CB 3.2Å; I528-M531 PolarHBondContact O-N 2.98Å; M531-T535 WeakPolarHBondContact O-CB 3.5Å; M531-T535 PolarHBondContact O-N 3.4Å; M531-T535 PolarHBondContact O-OG1 3.16Å
532	F	88.4	Confident	85.5	Confident	2 Å²	2	31.6 Å²	31.6	1%	0.009	16%	0.162	C	C	.	.	H	α-helix	trans	-62.4	-46.3	176.6	-66.1	-8.4	0	0	0	111.4	L216 D220 I224 F227 F410 I528 R529 S534 T535 I536	L216-F532 HydrophobicContact CD2-CE1 4.04Å; L216-F532 HydrophobicContact CD2-CZ 4.04Å; D220-F532 HydrophobicContact CB-CE2 4.48Å; D220-F532 HydrophobicContact CB-CZ 4.08Å; D220-F532 WeakPolarHBondContact O-CZ 3.35Å; I224-F532 HydrophobicContact CB-CD1 4.29Å; I224-F532 HydrophobicContact CB-CD2 4.36Å; I224-F532 HydrophobicContact CB-CE1 4.08Å; I224-F532 HydrophobicContact CB-CE2 4.14Å; I224-F532 HydrophobicContact CB-CG 4.42Å; I224-F532 HydrophobicContact CB-CZ 3.99Å; I224-F532 HydrophobicContact CD1-CD1 3.78Å; I224-F532 HydrophobicContact CD1-CE1 4.06Å; I224-F532 HydrophobicContact CD1-CG 4.3Å; I224-F532 HydrophobicContact CG1-CD1 4.35Å; I224-F532 HydrophobicContact CG1-CG 4.49Å; F227-F532 HydrophobicContact CD2-CD2 4.45Å; F227-F532 HydrophobicContact CE2-CD2 4.15Å; F410-F532 AromaticContact CE1-CD1 3.81Å; F410-F532 HydrophobicContact CE1-CD1 3.81Å; F410-F532 HydrophobicContact CE1-CE1 4Å; F410-F532 AromaticContact CZ-CD1 3.91Å; F410-F532 HydrophobicContact CZ-CD1 3.91Å; F410-F532 AromaticContact CZ-CE1 3.61Å; F410-F532 HydrophobicContact CZ-CE1 3.61Å; I528-F532 HydrophobicContact CG2-CD1 4.33Å; I528-F532 HydrophobicContact CG2-CD2 4.22Å; I528-F532 HydrophobicContact CG2-CE1 3.76Å; I528-F532 HydrophobicContact CG2-CE2 3.62Å; I528-F532 HydrophobicContact CG2-CZ 3.38Å; I528-F532 WeakPolarHBondContact O-CD1 3.43Å; I528-F532 VanDerWaalsContact O-CG 3.3Å; I528-F532 WeakPolarHBondContact O-CG 3.3Å; I528-F532 PolarHBondContact O-N 3.32Å; R529-F532 PolarHBondContact O-N 3.43Å; F532-S534 PolarHBondContact O-N 2.87Å; F532-T535 WeakPolarHBondContact O-CB 3.42Å; F532-T535 PolarHBondContact O-N 3.18Å; F532-I536 VanDerWaalsContact O-CG1 3.3Å; F532-I536 WeakPolarHBondContact O-CG1 3.5Å; F532-I536 PolarHBondContact O-N 3.26Å
533	F	87.9	Confident	85.6	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-56.7	-51.8	177	176.7	-119.7	0	0	0	112.6	F401 H404 F517 A520 I521 T524 R529 T535 I536 I537	F401-F533 HydrophobicContact CB-CE1 4.13Å; F401-F533 HydrophobicContact CD1-CD1 4.07Å; F401-F533 AromaticContact CD1-CE1 3.68Å; F401-F533 HydrophobicContact CD1-CE1 3.68Å; F401-F533 HydrophobicContact CD2-CE1 4.1Å; F401-F533 AromaticContact CE1-CD1 3.98Å; F401-F533 HydrophobicContact CE1-CD1 3.98Å; F401-F533 HydrophobicContact CE1-CE1 4.01Å; F401-F533 HydrophobicContact CE2-CE1 4.43Å; F401-F533 HydrophobicContact CG-CD1 4.49Å; F401-F533 AromaticContact CG-CE1 3.71Å; F401-F533 HydrophobicContact CG-CE1 3.71Å; F401-F533 HydrophobicContact CZ-CD1 4.39Å; F401-F533 HydrophobicContact CZ-CE1 4.39Å; H404-F533 AromaticContact CE1-CE1 3.75Å; F517-F533 AromaticContact CD2-CE2 3.77Å; F517-F533 HydrophobicContact CD2-CE2 3.77Å; F517-F533 HydrophobicContact CD2-CZ 4.46Å; F517-F533 AromaticContact CE2-CE2 3.35Å; F517-F533 HydrophobicContact CE2-CE2 3.35Å; F517-F533 AromaticContact CE2-CZ 3.64Å; F517-F533 HydrophobicContact CE2-CZ 3.64Å; F517-F533 AromaticContact CZ-CE2 3.91Å; F517-F533 HydrophobicContact CZ-CE2 3.91Å; F517-F533 HydrophobicContact CZ-CZ 4.07Å; A520-F533 HydrophobicContact CB-CB 4.47Å; A520-F533 HydrophobicContact CB-CD2 4.04Å; I521-F533 HydrophobicContact CB-CD2 3.9Å; I521-F533 HydrophobicContact CB-CE2 3.49Å; I521-F533 VanDerWaalsContact CB-CE2 3.49Å; I521-F533 HydrophobicContact CB-CZ 4.07Å; I521-F533 HydrophobicContact CD1-CE2 4.1Å; I521-F533 HydrophobicContact CD1-CZ 3.81Å; I521-F533 HydrophobicContact CG1-CD2 4.34Å; I521-F533 HydrophobicContact CG1-CE1 4.47Å; I521-F533 HydrophobicContact CG1-CE2 3.76Å; I521-F533 HydrophobicContact CG1-CZ 3.79Å; T524-F533 HydrophobicContact CG2-CB 4.23Å; T524-F533 HydrophobicContact CG2-CD1 4.43Å; T524-F533 HydrophobicContact CG2-CG 4.27Å; R529-F533 PolarHBondContact O-N 3.05Å; F533-T535 PolarHBondContact O-N 3.23Å; F533-I536 PolarHBondContact O-N 3.05Å; F533-I537 HydrophobicContact CD1-CD1 3.93Å; F533-I537 HydrophobicContact CD2-CD1 4.12Å; F533-I537 HydrophobicContact CD2-CG1 4.42Å; F533-I537 HydrophobicContact CE1-CD1 3.45Å; F533-I537 VanDerWaalsContact CE1-CD1 3.45Å; F533-I537 HydrophobicContact CE2-CD1 3.63Å; F533-I537 HydrophobicContact CE2-CG1 4.02Å; F533-I537 HydrophobicContact CG-CD1 4.26Å; F533-I537 HydrophobicContact CZ-CD1 3.31Å; F533-I537 HydrophobicContact CZ-CG1 4.18Å; F533-I537 WeakPolarHBondContact O-CG1 3.38Å; F533-I537 PolarHBondContact O-N 3.22Å
534	S	89.9	Confident	85.8	Confident	1 Å²	1	24.1 Å²	24.1	1%	0.007	13%	0.133	C	C	.	.	H	α-helix	trans	-60.1	-37	177.7	-51.6	0	0	0	0	111.9	H404 Y405 R530 F532 V538	H404-S534 PolarHBondContact ND1-OG 2.99Å; Y405-S534 PolarHBondContact N-OG 3.17Å; Y405-S534 PolarHBondContact O-OG 3.44Å; R530-S534 PolarHBondContact O-N 2.96Å; R530-S534 VanDerWaalsContact O-N 3.09Å; R530-S534 PolarHBondContact O-OG 3.48Å; F532-S534 PolarHBondContact O-N 2.87Å; S534-V538 WeakPolarHBondContact O-CG2 3.48Å; S534-V538 PolarHBondContact O-N 3.44Å
535	T	89.9	Confident	86.1	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-66.9	-45.1	177.6	-59.2	0	0	0	0	112.2	F410 V411 A414 M531 F532 F533 I537 V538 I539	F410-T535 HydrophobicContact CD1-CG2 4.08Å; F410-T535 WeakPolarHBondContact CD1-OG1 3.37Å; F410-T535 HydrophobicContact CE1-CG2 4.12Å; V411-T535 HydrophobicContact CB-CG2 4.47Å; V411-T535 HydrophobicContact CG2-CG2 4.1Å; A414-T535 HydrophobicContact CB-CG2 3.74Å; M531-T535 WeakPolarHBondContact O-CB 3.5Å; M531-T535 PolarHBondContact O-N 3.4Å; M531-T535 PolarHBondContact O-OG1 3.16Å; F532-T535 WeakPolarHBondContact O-CB 3.42Å; F532-T535 PolarHBondContact O-N 3.18Å; F533-T535 PolarHBondContact O-N 3.23Å; T535-I537 VanDerWaalsContact C-N 3.35Å; T535-I537 PolarHBondContact O-N 2.93Å; T535-V538 PolarHBondContact O-N 3.3Å; T535-I539 HydrophobicContact CG2-CD1 3.78Å; T535-I539 VanDerWaalsContact O-CG1 3.29Å; T535-I539 WeakPolarHBondContact O-CG1 3.38Å; T535-I539 PolarHBondContact O-N 3.24Å
536	I	90.5	Very high	86.5	Confident	2 Å²	2	27.4 Å²	27.4	1%	0.01	14%	0.144	C	C	.	.	H	α-helix	trans	-65.5	-38.9	178.8	-67.2	-65	0	0	0	111.1	F227 V228 A516 A520 F532 F533 V538 I539 V540	F227-I536 HydrophobicContact CB-CD1 3.6Å; F227-I536 HydrophobicContact CB-CG1 3.83Å; V228-I536 HydrophobicContact CG2-CD1 4.14Å; A516-I536 HydrophobicContact CB-CG2 3.88Å; A520-I536 HydrophobicContact CB-CB 4.22Å; A520-I536 HydrophobicContact CB-CG1 4.24Å; A520-I536 HydrophobicContact CB-CG2 4.3Å; F532-I536 VanDerWaalsContact O-CG1 3.3Å; F532-I536 WeakPolarHBondContact O-CG1 3.5Å; F532-I536 PolarHBondContact O-N 3.26Å; F533-I536 PolarHBondContact O-N 3.05Å; I536-V538 PolarHBondContact O-N 3.03Å; I536-I539 PolarHBondContact O-N 3.46Å; I536-V540 HydrophobicContact CG2-CG2 4Å; I536-V540 WeakPolarHBondContact O-CB 3.38Å; I536-V540 VanDerWaalsContact O-CG2 3.28Å; I536-V540 WeakPolarHBondContact O-CG2 3.45Å; I536-V540 PolarHBondContact O-N 3.22Å
537	I	89.9	Confident	86.6	Confident	2 Å²	2	25.3 Å²	25.3	1%	0.01	13%	0.129	C	C	.	.	H	α-helix	trans	-55.7	-50.1	173.6	-74	165.1	0	0	0	111	T398 F517 F533 T535 I539 V540 M541	T398-I537 HydrophobicContact CG2-CG2 3.73Å; T398-I537 WeakPolarHBondContact OG1-CG2 3.37Å; F517-I537 HydrophobicContact CD2-CD1 4.42Å; F517-I537 HydrophobicContact CD2-CG1 3.66Å; F517-I537 HydrophobicContact CE2-CD1 4.01Å; F517-I537 HydrophobicContact CE2-CG1 3.71Å; F533-I537 HydrophobicContact CD1-CD1 3.93Å; F533-I537 HydrophobicContact CD2-CD1 4.12Å; F533-I537 HydrophobicContact CD2-CG1 4.42Å; F533-I537 HydrophobicContact CE1-CD1 3.45Å; F533-I537 VanDerWaalsContact CE1-CD1 3.45Å; F533-I537 HydrophobicContact CE2-CD1 3.63Å; F533-I537 HydrophobicContact CE2-CG1 4.02Å; F533-I537 HydrophobicContact CG-CD1 4.26Å; F533-I537 HydrophobicContact CZ-CD1 3.31Å; F533-I537 HydrophobicContact CZ-CG1 4.18Å; F533-I537 WeakPolarHBondContact O-CG1 3.38Å; F533-I537 PolarHBondContact O-N 3.22Å; T535-I537 VanDerWaalsContact C-N 3.35Å; T535-I537 PolarHBondContact O-N 2.93Å; I537-I539 VanDerWaalsContact C-N 3.31Å; I537-I539 PolarHBondContact O-N 3.3Å; I537-V540 PolarHBondContact O-N 3.32Å; I537-M541 HydrophobicContact CG2-CG 4.2Å; I537-M541 WeakPolarHBondContact O-CB 3.3Å; I537-M541 WeakPolarHBondContact O-CG 3.28Å; I537-M541 PolarHBondContact O-N 3.18Å
538	V	89.9	Confident	86.5	Confident	41 Å²	41	19.2 Å²	19.2	25%	0.248	10%	0.101	C	C	.	.	H	α-helix	trans	-62.4	-43.3	-179.8	-179.9	0	0	0	0	111.1	W406 V411 S534 T535 I536 M541 T542	W406-V538 HydrophobicContact CE3-CG2 4.38Å; W406-V538 HydrophobicContact CH2-CG2 4.16Å; W406-V538 HydrophobicContact CZ3-CG2 3.42Å; W406-V538 VanDerWaalsContact CZ3-CG2 3.42Å; V411-V538 HydrophobicContact CG1-CB 3.96Å; V411-V538 HydrophobicContact CG1-CG1 3.75Å; V411-V538 HydrophobicContact CG1-CG2 4.48Å; S534-V538 WeakPolarHBondContact O-CG2 3.48Å; S534-V538 PolarHBondContact O-N 3.44Å; T535-V538 PolarHBondContact O-N 3.3Å; I536-V538 PolarHBondContact O-N 3.03Å; V538-M541 PolarHBondContact O-N 3.38Å; V538-T542 WeakPolarHBondContact O-CB 3.24Å; V538-T542 PolarHBondContact O-N 2.77Å; V538-T542 PolarHBondContact O-OG1 3.31Å
539	I	88.9	Confident	86.4	Confident	5 Å²	5	20.8 Å²	20.8	3%	0.026	11%	0.114	C	C	.	.	H	α-helix	trans	-62.9	-48.4	-179.9	-68.9	169.9	0	0	0	110	A414 R512 T535 I536 I537 T542 T543	A414-I539 HydrophobicContact CB-CD1 3.92Å; R512-I539 HydrophobicContact CB-CG2 4.24Å; R512-I539 HydrophobicContact CG-CG2 3.71Å; T535-I539 HydrophobicContact CG2-CD1 3.78Å; T535-I539 VanDerWaalsContact O-CG1 3.29Å; T535-I539 WeakPolarHBondContact O-CG1 3.38Å; T535-I539 PolarHBondContact O-N 3.24Å; I536-I539 PolarHBondContact O-N 3.46Å; I537-I539 VanDerWaalsContact C-N 3.31Å; I537-I539 PolarHBondContact O-N 3.3Å; I539-T542 PolarHBondContact O-N 2.85Å; I539-T543 HydrophobicContact CG2-CG2 4.29Å; I539-T543 VanDerWaalsContact O-CB 3.29Å; I539-T543 WeakPolarHBondContact O-CB 3.43Å; I539-T543 WeakPolarHBondContact O-CG2 3.2Å; I539-T543 PolarHBondContact O-N 2.9Å; I539-T543 PolarHBondContact O-OG1 2.88Å
540	V	88.4	Confident	86.4	Confident	2 Å²	2	24.9 Å²	24.9	1%	0.012	13%	0.133	C	C	.	.	H	α-helix	trans	-61.5	-47.7	178.1	172.7	0	0	0	0	110.1	I394 R512 A516 I536 I537 T542 T543 V544	I394-V540 HydrophobicContact CG2-CG1 4.38Å; R512-V540 HydrophobicContact CB-CG2 4.2Å; A516-V540 HydrophobicContact CB-CG2 4.35Å; I536-V540 HydrophobicContact CG2-CG2 4Å; I536-V540 WeakPolarHBondContact O-CB 3.38Å; I536-V540 VanDerWaalsContact O-CG2 3.28Å; I536-V540 WeakPolarHBondContact O-CG2 3.45Å; I536-V540 PolarHBondContact O-N 3.22Å; I537-V540 PolarHBondContact O-N 3.32Å; V540-T542 PolarHBondContact O-N 3.02Å; V540-T543 PolarHBondContact O-N 3.31Å; V540-T543 PolarHBondContact O-OG1 3Å; V540-V544 HydrophobicContact CG1-CG2 4.03Å; V540-V544 WeakPolarHBondContact O-CB 3.49Å; V540-V544 WeakPolarHBondContact O-CG2 3.49Å; V540-V544 PolarHBondContact O-N 3.41Å
541	M	87.7	Confident	86.2	Confident	17 Å²	17	23 Å²	23	8%	0.084	13%	0.126	C	C	.	.	H	α-helix	trans	-60.8	-48.7	178.2	-71.4	-57.7	179.9	0	0	112.7	V68 I394 T398 I537 V538 T543 L545	V68-M541 HydrophobicContact CG1-CE 3.9Å; V68-M541 HydrophobicContact CG1-SD 3.27Å; V68-M541 WeakPolarHBondContact CG1-SD 2.69Å; I394-M541 HydrophobicContact CG2-CE 3.64Å; I394-M541 WeakPolarHBondContact O-CE 3.28Å; T398-M541 HydrophobicContact CG2-CE 4.42Å; T398-M541 WeakPolarHBondContact OG1-CE 3.29Å; I537-M541 HydrophobicContact CG2-CG 4.2Å; I537-M541 WeakPolarHBondContact O-CB 3.3Å; I537-M541 WeakPolarHBondContact O-CG 3.28Å; I537-M541 PolarHBondContact O-N 3.18Å; V538-M541 PolarHBondContact O-N 3.38Å; M541-T543 VanDerWaalsContact C-N 3.34Å; M541-T543 PolarHBondContact O-N 3.09Å; M541-L545 WeakPolarHBondContact O-CB 3.48Å; M541-L545 VanDerWaalsContact O-CG 3.27Å; M541-L545 WeakPolarHBondContact O-CG 3.34Å; M541-L545 PolarHBondContact O-N 3.42Å
542	T	86.5	Confident	86	Confident	45 Å²	45	24 Å²	24	28%	0.276	13%	0.131	S	C	.	.	H	α-helix	trans	-63.6	-42.3	-179.4	-56.4	0	0	0	0	110.6	V538 I539 V540 L546	V538-T542 WeakPolarHBondContact O-CB 3.24Å; V538-T542 PolarHBondContact O-N 2.77Å; V538-T542 PolarHBondContact O-OG1 3.31Å; I539-T542 PolarHBondContact O-N 2.85Å; V540-T542 PolarHBondContact O-N 3.02Å; T542-L546 HydrophobicContact CG2-CD1 3.57Å; T542-L546 HydrophobicContact CG2-CG 4.21Å; T542-L546 WeakPolarHBondContact O-CB 3.34Å; T542-L546 VanDerWaalsContact O-CG 3.25Å; T542-L546 WeakPolarHBondContact O-CG 3.31Å; T542-L546 PolarHBondContact O-N 2.72Å
543	T	85.4	Confident	85.8	Confident	24 Å²	24	26.6 Å²	26.6	15%	0.147	15%	0.149	C	C	.	.	H	α-helix	trans	-76.4	-34.3	-178.6	56.3	0	0	0	0	113.3	L511 R512 I539 V540 M541 G547	L511-T543 HydrophobicContact CD2-CG2 4.12Å; R512-T543 WeakPolarHBondContact CB-OG1 2.99Å; R512-T543 HydrophobicContact CG-CG2 4.29Å; R512-T543 PolarHBondContact N-OG1 3.37Å; I539-T543 HydrophobicContact CG2-CG2 4.29Å; I539-T543 VanDerWaalsContact O-CB 3.29Å; I539-T543 WeakPolarHBondContact O-CB 3.43Å; I539-T543 WeakPolarHBondContact O-CG2 3.2Å; I539-T543 PolarHBondContact O-N 2.9Å; I539-T543 PolarHBondContact O-OG1 2.88Å; V540-T543 PolarHBondContact O-N 3.31Å; V540-T543 PolarHBondContact O-OG1 3Å; M541-T543 VanDerWaalsContact C-N 3.34Å; M541-T543 PolarHBondContact O-N 3.09Å; T543-G547 WeakPolarHBondContact O-CA 3.21Å; T543-G547 PolarHBondContact O-N 2.91Å
544	V	84.6	Confident	85.7	Confident	2 Å²	2	27.8 Å²	27.8	1%	0.012	16%	0.155	C	C	.	.	H	α-helix	trans	-68.7	-47	175	174.6	0	0	0	0	110.3	V68 T233 F391 V540 G548	V68-V544 HydrophobicContact CG2-CG1 3.93Å; T233-V544 HydrophobicContact CG2-CB 4.31Å; T233-V544 HydrophobicContact CG2-CG1 4.19Å; T233-V544 HydrophobicContact CG2-CG2 3.82Å; F391-V544 HydrophobicContact CD1-CG1 4.5Å; F391-V544 HydrophobicContact CD1-CG2 4.45Å; F391-V544 HydrophobicContact CE1-CG1 4.39Å; F391-V544 HydrophobicContact CE1-CG2 3.89Å; V540-V544 HydrophobicContact CG1-CG2 4.03Å; V540-V544 WeakPolarHBondContact O-CB 3.49Å; V540-V544 WeakPolarHBondContact O-CG2 3.49Å; V540-V544 PolarHBondContact O-N 3.41Å; V544-G548 WeakPolarHBondContact O-CA 3.26Å; V544-G548 PolarHBondContact O-N 3.26Å
545	L	85.8	Confident	85.3	Confident	63 Å²	63	28 Å²	28	33%	0.33	16%	0.156	S	C	.	.	H	α-helix	trans	-69.1	-53.8	-179	-66.1	174.2	0	0	0	111.9	V69 M541 C549	V69-L545 HydrophobicContact CG2-CD2 3.9Å; M541-L545 WeakPolarHBondContact O-CB 3.48Å; M541-L545 VanDerWaalsContact O-CG 3.27Å; M541-L545 WeakPolarHBondContact O-CG 3.34Å; M541-L545 PolarHBondContact O-N 3.42Å; L545-C549 PolarHBondContact O-N 2.91Å; L545-C549 PolarHBondContact O-SG 2.99Å
546	L	85.1	Confident	84.9	Confident	93 Å²	93	34.4 Å²	34.4	49%	0.487	19%	0.186	S	C	.	.	H	α-helix	trans	-69.9	-45.8	179.6	-62	-178.5	0	0	0	111.1	T542 G548 C549 F550	T542-L546 HydrophobicContact CG2-CD1 3.57Å; T542-L546 HydrophobicContact CG2-CG 4.21Å; T542-L546 WeakPolarHBondContact O-CB 3.34Å; T542-L546 VanDerWaalsContact O-CG 3.25Å; T542-L546 WeakPolarHBondContact O-CG 3.31Å; T542-L546 PolarHBondContact O-N 2.72Å; L546-G548 PolarHBondContact O-N 3.01Å; L546-C549 PolarHBondContact O-N 2.92Å; L546-F550 HydrophobicContact CB-CD2 4.13Å; L546-F550 HydrophobicContact CB-CE2 4.34Å; L546-F550 HydrophobicContact CD2-CE2 4.24Å; L546-F550 WeakPolarHBondContact O-CB 3.3Å; L546-F550 WeakPolarHBondContact O-CD2 3.47Å; L546-F550 PolarHBondContact O-N 3.39Å
547	G	79.3	Confident	84.7	Confident	2 Å²	2	43.7 Å²	43.7	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-63	-42.8	-177.7	0	0	0	0	0	113	T543 C549 F550 A551	T543-G547 WeakPolarHBondContact O-CA 3.21Å; T543-G547 PolarHBondContact O-N 2.91Å; G547-C549 PolarHBondContact O-N 3.31Å; G547-F550 PolarHBondContact O-N 3.26Å; G547-A551 VanDerWaalsContact O-CB 3.24Å; G547-A551 WeakPolarHBondContact O-CB 3.33Å; G547-A551 PolarHBondContact O-N 3.03Å
548	G	77.7	Confident	84.4	Confident	3 Å²	3	44.4 Å²	44.4	3%	0.031	23%	0.225	C	C	.	.	H	α-helix	trans	-58.9	-44.4	173.8	0	0	0	0	0	112.8	V544 L546	V544-G548 WeakPolarHBondContact O-CA 3.26Å; V544-G548 PolarHBondContact O-N 3.26Å; L546-G548 PolarHBondContact O-N 3.01Å
549	C	82.2	Confident	83.7	Confident	59 Å²	59	49.6 Å²	49.6	40%	0.399	25%	0.246	S	C	.	.	H	α-helix	trans	-69.4	-41.6	178.9	-64.7	0	0	0	0	112.6	L545 L546 G547	L545-C549 PolarHBondContact O-N 2.91Å; L545-C549 PolarHBondContact O-SG 2.99Å; L546-C549 PolarHBondContact O-N 2.92Å; G547-C549 PolarHBondContact O-N 3.31Å
550	F	84.3	Confident	83	Confident	116 Å²	116	49.8 Å²	49.8	51%	0.509	25%	0.247	S	C	.	.	H	α-helix	trans	-81.2	-22.8	-176	-77.3	-65.1	0	0	0	113.5	F508 L546 G547 I552 S553 L554	F508-F550 HydrophobicContact CE2-CB 4.02Å; F508-F550 HydrophobicContact CZ-CB 3.57Å; L546-F550 HydrophobicContact CB-CD2 4.13Å; L546-F550 HydrophobicContact CB-CE2 4.34Å; L546-F550 HydrophobicContact CD2-CE2 4.24Å; L546-F550 WeakPolarHBondContact O-CB 3.3Å; L546-F550 WeakPolarHBondContact O-CD2 3.47Å; L546-F550 PolarHBondContact O-N 3.39Å; G547-F550 PolarHBondContact O-N 3.26Å; F550-I552 PolarHBondContact O-N 2.96Å; F550-S553 PolarHBondContact O-N 3.32Å; F550-L554 VanDerWaalsContact O-CB 3.31Å; F550-L554 WeakPolarHBondContact O-CB 3.34Å; F550-L554 PolarHBondContact O-N 2.93Å
551	A	82	Confident	82.1	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-56.3	-47.8	-178	0	0	0	0	0	112.9	I237 F508 G547 L554 L555	I237-A551 HydrophobicContact CD1-CB 3.66Å; I237-A551 HydrophobicContact CG2-CB 3.99Å; F508-A551 HydrophobicContact CE1-CB 3.9Å; G547-A551 VanDerWaalsContact O-CB 3.24Å; G547-A551 WeakPolarHBondContact O-CB 3.33Å; G547-A551 PolarHBondContact O-N 3.03Å; A551-L554 PolarHBondContact O-N 3.31Å; A551-L555 WeakPolarHBondContact O-CG 3.43Å; A551-L555 PolarHBondContact O-N 3.44Å
552	I	81.9	Confident	81.2	Confident	25 Å²	25	55.2 Å²	55.2	13%	0.128	28%	0.282	C	S	.	.	H	α-helix	trans	-66.3	-43.1	-179.7	-60.9	170.2	0	0	0	110.4	R59 I237 L241 F550 L554 L555 H556	R59-I552 HydrophobicContact CG-CG2 4.34Å; R59-I552 WeakPolarHBondContact O-CD1 3.23Å; I237-I552 HydrophobicContact CG2-CG1 4.46Å; L241-I552 HydrophobicContact CD1-CG1 4.07Å; F550-I552 PolarHBondContact O-N 2.96Å; I552-L554 VanDerWaalsContact C-N 3.31Å; I552-L554 PolarHBondContact O-N 3.44Å; I552-L555 PolarHBondContact O-N 3.34Å; I552-H556 PolarHBondContact O-N 3.04Å
553	S	84.9	Confident	80	Confident	56 Å²	56	55.2 Å²	55.2	39%	0.392	29%	0.291	S	S	.	.	H	α-helix	trans	-62.6	-39.5	177.7	-61	0	0	0	0	111.8	F550 R557	F550-S553 PolarHBondContact O-N 3.32Å; S553-R557 WeakPolarHBondContact O-CB 3.18Å; S553-R557 PolarHBondContact O-N 3Å
554	L	84.7	Confident	78.7	Confident	25 Å²	25	57.4 Å²	57.4	13%	0.131	30%	0.304	C	S	.	.	H	α-helix	trans	-71.5	-41	-179.9	-174	66.8	0	0	0	112	M505 F508 F550 A551 I552 H556 R557 L558	M505-L554 HydrophobicContact SD-CD2 4.09Å; M505-L554 HydrophobicContact SD-CG 4.37Å; F508-L554 HydrophobicContact CB-CD2 3.28Å; F508-L554 HydrophobicContact CD1-CD2 3.5Å; F508-L554 VanDerWaalsContact CD1-CD2 3.5Å; F508-L554 HydrophobicContact CD2-CD2 3.58Å; F508-L554 HydrophobicContact CE1-CD2 4.22Å; F508-L554 HydrophobicContact CE2-CD2 4.27Å; F508-L554 HydrophobicContact CG-CD2 3.13Å; F550-L554 VanDerWaalsContact O-CB 3.31Å; F550-L554 WeakPolarHBondContact O-CB 3.34Å; F550-L554 PolarHBondContact O-N 2.93Å; A551-L554 PolarHBondContact O-N 3.31Å; I552-L554 VanDerWaalsContact C-N 3.31Å; I552-L554 PolarHBondContact O-N 3.44Å; L554-H556 VanDerWaalsContact C-N 3.29Å; L554-H556 PolarHBondContact O-N 3.02Å; L554-R557 PolarHBondContact O-N 2.95Å; L554-R557 VanDerWaalsContact O-N 3.15Å; L554-L558 HydrophobicContact CD1-CD1 3.88Å; L554-L558 HydrophobicContact CD1-CG 4.11Å; L554-L558 HydrophobicContact CD2-CD1 4.02Å; L554-L558 HydrophobicContact CG-CD1 3.56Å; L554-L558 HydrophobicContact CG-CG 4.23Å; L554-L558 WeakPolarHBondContact O-CB 3.35Å; L554-L558 WeakPolarHBondContact O-CG 3.3Å; L554-L558 PolarHBondContact O-N 3.46Å
555	L	81.9	Confident	76.9	Confident	5 Å²	5	62 Å²	62	3%	0.026	33%	0.329	C	S	.	.	H	α-helix	trans	-57.1	-44.6	173.9	-79.5	167.3	0	0	0	111.5	F238 L241 V243 M505 A551 I552 L558 Q559 I560	F238-L555 HydrophobicContact CE1-CD1 4.47Å; L241-L555 HydrophobicContact CD1-CD1 3.26Å; V243-L555 HydrophobicContact CG2-CD1 4.29Å; V243-L555 HydrophobicContact CG2-CD2 4.29Å; M505-L555 HydrophobicContact CE-CD1 4.18Å; M505-L555 HydrophobicContact CE-CD2 3.51Å; M505-L555 HydrophobicContact CE-CG 3.54Å; M505-L555 HydrophobicContact CG-CD2 4.43Å; M505-L555 HydrophobicContact SD-CD2 3.77Å; M505-L555 HydrophobicContact SD-CG 4.13Å; A551-L555 WeakPolarHBondContact O-CG 3.43Å; A551-L555 PolarHBondContact O-N 3.44Å; I552-L555 PolarHBondContact O-N 3.34Å; L555-L558 PolarHBondContact O-N 3.12Å; L555-Q559 PolarHBondContact O-N 3.47Å; L555-I560 HydrophobicContact CD2-CB 4.1Å; L555-I560 HydrophobicContact CD2-CD1 4.13Å; L555-I560 HydrophobicContact CD2-CG2 4.22Å; L555-I560 PolarHBondContact O-N 2.91Å
556	H	81.4	Confident	75.1	Confident	136 Å²	136	61.2 Å²	61.2	63%	0.63	33%	0.328	S	S	*	.	H	α-helix	trans	-64.5	-40.2	176.2	-173	-95.8	0	0	0	112.1	I552 L554 Q559	I552-H556 PolarHBondContact O-N 3.04Å; L554-H556 VanDerWaalsContact C-N 3.29Å; L554-H556 PolarHBondContact O-N 3.02Å; H556-Q559 PolarHBondContact O-N 3.21Å; H556-Q559 PolarHBondContact O-NE2 3.22Å; H556-Q559 VanDerWaalsContact O-NE2 3.14Å
557	R	86.7	Confident	73.1	Confident	197 Å²	197	62.4 Å²	62.4	74%	0.743	34%	0.335	S	S	*	.	H	α-helix	trans	-69.5	-37.6	178.9	-165.6	175.3	79.5	147	2.4	113	S553 L554 Q559	S553-R557 WeakPolarHBondContact O-CB 3.18Å; S553-R557 PolarHBondContact O-N 3Å; L554-R557 PolarHBondContact O-N 2.95Å; L554-R557 VanDerWaalsContact O-N 3.15Å; R557-Q559 PolarHBondContact O-N 3.08Å
558	L	82.3	Confident	71.1	Confident	17 Å²	17	67.8 Å²	67.8	9%	0.089	37%	0.372	C	S	.	.	H	α-helix	trans	-79	-5.4	-179.9	-73.1	164.9	0	0	0	113.4	N501 H504 M505 L554 L555 I560	N501-L558 HydrophobicContact CB-CD2 4.17Å; N501-L558 PolarHBondContact ND2-O 3.17Å; N501-L558 VanDerWaalsContact ND2-O 3.16Å; H504-L558 HydrophobicContact CB-CD1 4.36Å; H504-L558 HydrophobicContact CB-CD2 3.88Å; M505-L558 HydrophobicContact CB-CD1 4.12Å; M505-L558 HydrophobicContact SD-CD1 3.76Å; L554-L558 HydrophobicContact CD1-CD1 3.88Å; L554-L558 HydrophobicContact CD1-CG 4.11Å; L554-L558 HydrophobicContact CD2-CD1 4.02Å; L554-L558 HydrophobicContact CG-CD1 3.56Å; L554-L558 HydrophobicContact CG-CG 4.23Å; L554-L558 WeakPolarHBondContact O-CB 3.35Å; L554-L558 WeakPolarHBondContact O-CG 3.3Å; L554-L558 PolarHBondContact O-N 3.46Å; L555-L558 PolarHBondContact O-N 3.12Å; L558-I560 HydrophobicContact CB-CD1 3.87Å; L558-I560 HydrophobicContact CB-CG1 3.86Å; L558-I560 HydrophobicContact CD1-CD1 4.02Å; L558-I560 PolarHBondContact O-N 3.17Å
559	Q	76.9	Confident	69.1	Low	150 Å²	150	75.7 Å²	75.7	70%	0.701	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	38	-177.9	-63.2	-72.4	-46.5	0	0	112.1	L555 H556 R557	L555-Q559 PolarHBondContact O-N 3.47Å; H556-Q559 PolarHBondContact O-N 3.21Å; H556-Q559 PolarHBondContact O-NE2 3.22Å; H556-Q559 VanDerWaalsContact O-NE2 3.14Å; R557-Q559 PolarHBondContact O-N 3.08Å
560	I	74	Confident	66.8	Low	9 Å²	9	77.2 Å²	77.2	5%	0.046	41%	0.41	C	S	.	.			trans	-78.8	130.4	176.2	-64.6	171.6	0	0	0	107.6	V243 L247 M505 L555 L558 V562	V243-I560 HydrophobicContact CG1-CG2 3.87Å; L247-I560 HydrophobicContact CD2-CD1 4.29Å; L247-I560 HydrophobicContact CD2-CG2 4.37Å; M505-I560 HydrophobicContact CB-CD1 3.63Å; M505-I560 HydrophobicContact CG-CD1 3.69Å; M505-I560 HydrophobicContact SD-CD1 3.97Å; L555-I560 HydrophobicContact CD2-CB 4.1Å; L555-I560 HydrophobicContact CD2-CD1 4.13Å; L555-I560 HydrophobicContact CD2-CG2 4.22Å; L555-I560 PolarHBondContact O-N 2.91Å; L558-I560 HydrophobicContact CB-CD1 3.87Å; L558-I560 HydrophobicContact CB-CG1 3.86Å; L558-I560 HydrophobicContact CD1-CD1 4.02Å; L558-I560 PolarHBondContact O-N 3.17Å; I560-V562 PolarHBondContact O-N 3.48Å
561	P	68.7	Low	64	Low	66 Å²	66	79.1 Å²	79.1	43%	0.429	42%	0.42	S	S	.	.			trans	-62	124.8	179.3	26.2	-34.4	0	0	0	110.2	V564	P561-V564 HydrophobicContact CB-CG2 3.84Å
562	V	69.6	Low	61.6	Low	66 Å²	66	84.6 Å²	84.6	40%	0.4	46%	0.456	S	S	.	.	B	Isolated β-bridge	trans	-117.4	148.8	175.7	-68.5	0	0	0	0	109	V243 I560	V243-V562 HydrophobicContact CG2-CG1 4.37Å; I560-V562 PolarHBondContact O-N 3.48Å
563	G	61	Low	59.1	Low	45 Å²	45	88 Å²	88	46%	0.464	47%	0.471	S	S	.	.			trans	74.6	24.3	-177.9	0	0	0	0	0	114.2	L241 K242 D565	L241-G563 PolarHBondContact O-N 3.1Å; K242-G563 PolarHBondContact O-N 3.02Å; G563-D565 PolarHBondContact O-N 3.32Å
564	V	58.3	Low	56.3	Low	70 Å²	70	87.6 Å²	87.6	42%	0.424	47%	0.467	S	S	.	.			trans	-71.6	99.2	174.5	-172	0	0	0	0	108.4	P561 C566	P561-V564 HydrophobicContact CB-CG2 3.84Å; V564-C566 PolarHBondContact O-N 3.09Å; V564-C566 VanDerWaalsContact O-N 3.14Å; V564-C566 PolarHBondContact O-SG 2.87Å; V564-C566 VanDerWaalsContact O-SG 3.4Å
565	D	45.6	Very low	54	Low	99 Å²	99	94.8 Å²	94.8	53%	0.529	51%	0.505	S	S	.	.			trans	-62.7	118.7	170.5	-73.3	-36.8	0	0	0	108.8	K242 G563 N567 S568	K242-D565 IonicContact NZ-OD1 3.85Å; K242-D565 PolarHBondContact NZ-OD1 2.94Å; G563-D565 PolarHBondContact O-N 3.32Å; D565-N567 PolarHBondContact O-N 3.27Å; D565-S568 PolarHBondContact O-N 3.33Å
566	C	49.1	Very low	51.6	Low	46 Å²	46	99.9 Å²	99.9	31%	0.311	54%	0.537	S	S	.	.	G	3₁₀ helix	trans	-68.9	-12.5	-168.1	-56.5	0	0	0	0	113.1	K172 V564 S568 K569 N570	K172-C566 PolarHBondContact NZ-SG 3.34Å; V564-C566 PolarHBondContact O-N 3.09Å; V564-C566 VanDerWaalsContact O-N 3.14Å; V564-C566 PolarHBondContact O-SG 2.87Å; V564-C566 VanDerWaalsContact O-SG 3.4Å; C566-S568 PolarHBondContact O-N 3.35Å; C566-K569 PolarHBondContact O-N 2.62Å; C566-N570 PolarHBondContact O-N 2.99Å
567	N	41.8	Very low	48.9	Very low	119 Å²	119	99 Å²	99	64%	0.636	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-69.5	-17.3	176	-72	9.2	0	0	0	112.9	D565 K569 N570	D565-N567 PolarHBondContact O-N 3.27Å; N567-K569 PolarHBondContact O-N 3.3Å; N567-N570 CarbonylContact O-C 3.21Å; N567-N570 PolarHBondContact O-N 2.96Å; N567-N570 VanDerWaalsContact O-N 3.17Å
568	S	37.3	Very low	46.2	Very low	114 Å²	114	99 Å²	99	80%	0.797	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-71.5	-10.1	176.4	-150.2	0	0	0	0	113.4	D565 C566	D565-S568 PolarHBondContact O-N 3.33Å; C566-S568 PolarHBondContact O-N 3.35Å
569	K	37	Very low	43.7	Very low	169 Å²	169	104.1 Å²	104.1	74%	0.735	57%	0.569	S	S	*	*	S	Bend	trans	-120.2	-0.3	165.4	-69.7	-172.1	178.4	179.8	0	114.1	C566 N567	C566-K569 PolarHBondContact O-N 2.62Å; N567-K569 PolarHBondContact O-N 3.3Å
570	N	34.2	Very low	41.5	Very low	91 Å²	91	100.8 Å²	100.8	49%	0.487	56%	0.562	S	S	.	*			trans	-121	75	172.2	-74.7	16.5	0	0	0	107.5	C566 N567	C566-N570 PolarHBondContact O-N 2.99Å; N567-N570 CarbonylContact O-C 3.21Å; N567-N570 PolarHBondContact O-N 2.96Å; N567-N570 VanDerWaalsContact O-N 3.17Å
571	Q	25.3	Very low	39.8	Very low	156 Å²	156	106.9 Å²	106.9	73%	0.729	60%	0.599	S	S	*	*	S	Bend	trans	-55.3	142.6	134.9	-104.2	171	-22.2	0	0	106.1	H573	Q571-H573 PolarHBondContact O-N 3.42Å
572	P	30.7	Very low	38.1	Very low	115 Å²	115	106.9 Å²	106.9	75%	0.747	60%	0.596	S	S	*	*			trans	-62.1	92.1	170	27.1	-30.1	0	0	0	106.5	T574	P572-T574 PolarHBondContact O-N 3.23Å
573	H	29.9	Very low	36.6	Very low	96 Å²	96	107 Å²	107	44%	0.444	59%	0.594	S	S	.	*			trans	-61.1	94.9	157.1	-76.4	-83	0	0	0	104	Q571 D575 E577	Q571-H573 PolarHBondContact O-N 3.42Å; H573-D575 PolarHBondContact O-N 3.25Å; H573-E577 IonicContact CE1-OE2 2.7Å; H573-E577 IonicContact ND1-OE2 3.73Å
574	T	27.1	Very low	35.8	Very low	49 Å²	49	109.5 Å²	109.5	30%	0.301	59%	0.593	S	S	.	*			trans	-39.5	129.3	146.9	34.6	0	0	0	0	106.8	P572 T576 T653	P572-T574 PolarHBondContact O-N 3.23Å; T574-T576 PolarHBondContact O-N 3.39Å; T574-T653 WeakPolarHBondContact CG2-OG1 3.24Å
575	D	34.6	Very low	35.4	Very low	176 Å²	176	108.5 Å²	108.5	94%	0.941	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	35.3	-174.9	-75.8	-52.3	0	0	0	113.7	H573	H573-D575 PolarHBondContact O-N 3.25Å
576	T	32.1	Very low	35.4	Very low	112 Å²	112	108.4 Å²	108.4	69%	0.687	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.4	11.5	-177.5	-17.9	0	0	0	0	114.2	T574	T574-T576 PolarHBondContact O-N 3.39Å
577	E	26.1	Very low	35.3	Very low	117 Å²	117	110.4 Å²	110.4	55%	0.547	61%	0.609	S	S	.	*	S	Bend	trans	-100	125.2	166	-72.8	-168.4	157.6	0	0	110.5	H573 D579	H573-E577 IonicContact CE1-OE2 2.7Å; H573-E577 IonicContact ND1-OE2 3.73Å; E577-D579 PolarHBondContact O-N 2.95Å
578	E	28	Very low	35.9	Very low	197 Å²	197	105.2 Å²	105.2	92%	0.921	58%	0.582	S	S	*	*			trans	-56.6	80.2	172.1	-62.6	176.3	153.6	0	0	109.3	S580	E578-S580 PolarHBondContact O-N 3.37Å
579	D	31.5	Very low	36.8	Very low	124 Å²	124	102.8 Å²	102.8	66%	0.663	57%	0.565	S	S	*	*			trans	-65.2	106.4	-180	-101.3	-21.2	0	0	0	109	E577	E577-D579 PolarHBondContact O-N 2.95Å
580	S	30.4	Very low	37.8	Very low	80 Å²	80	101.4 Å²	101.4	56%	0.559	56%	0.561	S	S	*	*			trans	-8.7	121.1	167	51.8	0	0	0	0	115.4	E578 D582	E578-S580 PolarHBondContact O-N 3.37Å; S580-D582 PolarHBondContact O-N 3.17Å
581	V	38.4	Very low	39.3	Very low	137 Å²	137	100.9 Å²	100.9	83%	0.83	55%	0.552	S	S	*	*			trans	-61.5	78.2	168.3	-176.8	0	0	0	0	109.4
582	D	33.1	Very low	40.9	Very low	67 Å²	67	98 Å²	98	36%	0.358	54%	0.54	S	S	.	.			trans	-139.7	105.1	179.4	-89.5	-19.8	0	0	0	111.7	K492 S580	K492-D582 IonicContact NZ-OD2 2.74Å; K492-D582 PolarHBondContact NZ-OD2 2.94Å; S580-D582 PolarHBondContact O-N 3.17Å
583	D	37.9	Very low	42.1	Very low	68 Å²	68	94.5 Å²	94.5	36%	0.364	52%	0.519	S	S	.	.			trans	60.7	69.4	159.2	-66.9	-21.6	0	0	0	118.4
584	H	43.3	Very low	43.9	Very low	97 Å²	97	94.6 Å²	94.6	45%	0.449	52%	0.518	S	S	.	.			trans	-94.6	143	162.2	-68.6	-68	0	0	0	111.5
585	S	50.7	Low	45.9	Very low	49 Å²	49	92.3 Å²	92.3	34%	0.343	50%	0.504	S	S	.	.			trans	-58.4	144	165.4	169.9	0	0	0	0	109	C587 S588 S589	S585-C587 PolarHBondContact O-N 3.05Å; S585-C587 VanDerWaalsContact O-N 3.13Å; S585-C587 PolarHBondContact OG-N 3.18Å; S585-S588 PolarHBondContact N-OG 3.47Å; S585-S588 PolarHBondContact O-N 2.94Å; S585-S588 PolarHBondContact O-OG 3Å; S585-S589 PolarHBondContact O-N 2.87Å
586	C	45.8	Very low	47.3	Very low	98 Å²	98	90.6 Å²	90.6	66%	0.662	49%	0.488	S	S	*	.	H	α-helix	trans	-50.9	-40.4	177.1	-176.5	0	0	0	0	111.5	H590	C586-H590 WeakPolarHBondContact O-CB 3.28Å; C586-H590 PolarHBondContact O-N 3.26Å; C586-H590 VanDerWaalsContact O-N 3.15Å
587	C	46.8	Very low	48.5	Very low	87 Å²	87	90.8 Å²	90.8	59%	0.588	48%	0.479	S	S	*	.	H	α-helix	trans	-69.6	-38.9	177.7	-168.6	0	0	0	0	112.4	S585 W591	S585-C587 PolarHBondContact O-N 3.05Å; S585-C587 VanDerWaalsContact O-N 3.13Å; S585-C587 PolarHBondContact OG-N 3.18Å; C587-W591 VanDerWaalsContact O-CB 3.3Å; C587-W591 WeakPolarHBondContact O-CB 3.25Å; C587-W591 PolarHBondContact O-N 3.31Å; C587-W591 VanDerWaalsContact O-N 3.08Å
588	S	53.9	Low	50.2	Low	11 Å²	11	90.3 Å²	90.3	8%	0.077	47%	0.473	C	S	.	.	H	α-helix	trans	-73.2	-37.7	179.8	83.4	0	0	0	0	111.3	S585 M592	S585-S588 PolarHBondContact N-OG 3.47Å; S585-S588 PolarHBondContact O-N 2.94Å; S585-S588 PolarHBondContact O-OG 3Å; S588-M592 VanDerWaalsContact O-CB 3.23Å; S588-M592 WeakPolarHBondContact O-CB 3.47Å; S588-M592 PolarHBondContact O-N 3.05Å
589	S	56.5	Low	52.3	Low	63 Å²	63	82.4 Å²	82.4	44%	0.441	44%	0.437	S	S	.	.	H	α-helix	trans	-63.9	-47	177.2	176.2	0	0	0	0	111.4	S585 W591 M592 S593	S585-S589 PolarHBondContact O-N 2.87Å; S589-W591 PolarHBondContact O-N 3.19Å; S589-M592 PolarHBondContact O-N 3.45Å; S589-S593 PolarHBondContact O-N 3.05Å; S589-S593 PolarHBondContact O-OG 3.05Å
590	H	58.6	Low	54.3	Low	139 Å²	139	79.2 Å²	79.2	64%	0.644	42%	0.417	S	S	*	.	H	α-helix	trans	-63.1	-45	178.2	-162.8	65	0	0	0	111.4	C586 S593 F594	C586-H590 WeakPolarHBondContact O-CB 3.28Å; C586-H590 PolarHBondContact O-N 3.26Å; C586-H590 VanDerWaalsContact O-N 3.15Å; H590-S593 PolarHBondContact O-N 2.68Å; H590-S593 PolarHBondContact O-OG 3.42Å; H590-F594 PolarHBondContact O-N 3.27Å
591	W	64.8	Low	55.9	Low	80 Å²	80	75.5 Å²	75.5	30%	0.303	39%	0.392	S	S	.	.	H	α-helix	trans	-63.4	-43.3	177	-169.3	77.8	0	0	0	112.7	F177 C587 S589 S593 F594 D595	F177-W591 HydrophobicContact CD1-CE3 4.1Å; F177-W591 AromaticContact CD1-CH2 3.93Å; F177-W591 HydrophobicContact CD1-CH2 3.93Å; F177-W591 AromaticContact CD1-CZ3 3.67Å; F177-W591 HydrophobicContact CD1-CZ3 3.67Å; F177-W591 HydrophobicContact CD2-CH2 4.18Å; F177-W591 AromaticContact CD2-CZ3 3.91Å; F177-W591 HydrophobicContact CD2-CZ3 3.91Å; F177-W591 HydrophobicContact CE1-CE3 4.37Å; F177-W591 AromaticContact CE1-CH2 3.45Å; F177-W591 HydrophobicContact CE1-CH2 3.45Å; F177-W591 VanDerWaalsContact CE1-CH2 3.45Å; F177-W591 AromaticContact CE1-CZ2 3.89Å; F177-W591 HydrophobicContact CE1-CZ2 3.89Å; F177-W591 AromaticContact CE1-CZ3 3.72Å; F177-W591 HydrophobicContact CE1-CZ3 3.72Å; F177-W591 AromaticContact CE2-CH2 3.76Å; F177-W591 HydrophobicContact CE2-CH2 3.76Å; F177-W591 AromaticContact CE2-CZ3 3.98Å; F177-W591 HydrophobicContact CE2-CZ3 3.98Å; F177-W591 HydrophobicContact CG-CE3 4.4Å; F177-W591 HydrophobicContact CG-CH2 4.29Å; F177-W591 AromaticContact CG-CZ3 3.78Å; F177-W591 HydrophobicContact CG-CZ3 3.78Å; F177-W591 AromaticContact CZ-CH2 3.37Å; F177-W591 HydrophobicContact CZ-CH2 3.37Å; F177-W591 HydrophobicContact CZ-CZ2 4.05Å; F177-W591 AromaticContact CZ-CZ3 3.89Å; F177-W591 HydrophobicContact CZ-CZ3 3.89Å; C587-W591 VanDerWaalsContact O-CB 3.3Å; C587-W591 WeakPolarHBondContact O-CB 3.25Å; C587-W591 PolarHBondContact O-N 3.31Å; C587-W591 VanDerWaalsContact O-N 3.08Å; S589-W591 PolarHBondContact O-N 3.19Å; W591-S593 VanDerWaalsContact C-N 3.3Å; W591-S593 PolarHBondContact O-N 3.27Å; W591-F594 PolarHBondContact O-N 3.39Å; W591-D595 WeakPolarHBondContact O-CB 3.1Å; W591-D595 PolarHBondContact O-N 3.42Å
592	M	58.8	Low	57.6	Low	95 Å²	95	71.6 Å²	71.6	47%	0.468	37%	0.366	S	S	.	.	H	α-helix	trans	-63	-37.4	178.2	-152.4	93.2	161.5	0	0	111.8	S588 S589 K596	S588-M592 VanDerWaalsContact O-CB 3.23Å; S588-M592 WeakPolarHBondContact O-CB 3.47Å; S588-M592 PolarHBondContact O-N 3.05Å; S589-M592 PolarHBondContact O-N 3.45Å; M592-K596 VanDerWaalsContact O-CB 3.22Å; M592-K596 WeakPolarHBondContact O-CB 3.31Å; M592-K596 PolarHBondContact O-N 2.99Å
593	S	56.1	Low	59.5	Low	43 Å²	43	68.5 Å²	68.5	30%	0.301	35%	0.349	S	S	.	.	H	α-helix	trans	-67.1	-48.3	174.7	70.8	0	0	0	0	111.5	S589 H590 W591 D595 K596 F597	S589-S593 PolarHBondContact O-N 3.05Å; S589-S593 PolarHBondContact O-OG 3.05Å; H590-S593 PolarHBondContact O-N 2.68Å; H590-S593 PolarHBondContact O-OG 3.42Å; W591-S593 VanDerWaalsContact C-N 3.3Å; W591-S593 PolarHBondContact O-N 3.27Å; S593-D595 VanDerWaalsContact C-N 3.33Å; S593-D595 PolarHBondContact O-N 3.13Å; S593-K596 PolarHBondContact O-N 2.84Å; S593-F597 WeakPolarHBondContact O-CB 3.13Å; S593-F597 WeakPolarHBondContact O-CD2 3.48Å; S593-F597 PolarHBondContact O-N 3.31Å
594	F	66.5	Low	61.2	Low	98 Å²	98	65.3 Å²	65.3	43%	0.43	33%	0.332	S	S	.	.	H	α-helix	trans	-60.7	-43.5	177.4	176	-99	0	0	0	111.9	H590 W591 Y598 L599	H590-F594 PolarHBondContact O-N 3.27Å; W591-F594 PolarHBondContact O-N 3.39Å; F594-Y598 AromaticContact CD2-CD2 3.66Å; F594-Y598 HydrophobicContact CD2-CD2 3.66Å; F594-Y598 HydrophobicContact CD2-CE2 4.42Å; F594-Y598 HydrophobicContact CD2-CG 4.33Å; F594-Y598 AromaticContact CE2-CD2 3.97Å; F594-Y598 HydrophobicContact CE2-CD2 3.97Å; F594-Y598 HydrophobicContact CE2-CG 4.23Å; F594-Y598 HydrophobicContact CG-CD2 4.47Å; F594-Y598 WeakPolarHBondContact O-CB 3.43Å; F594-Y598 PolarHBondContact O-N 3.12Å; F594-L599 HydrophobicContact CE1-CB 4.45Å; F594-L599 HydrophobicContact CE1-CD2 4.25Å; F594-L599 PolarHBondContact O-N 3.37Å
595	D	70.5	Confident	62	Low	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.316	C	S	.	.	I	π-helix	trans	-60.8	-50.2	176.4	174.9	54.7	0	0	0	111.8	H361 Y362 W591 S593 F597 L599 K600	H361-D595 VanDerWaalsContact CE1-CG 3.46Å; H361-D595 IonicContact CE1-OD1 3.96Å; H361-D595 PolarHBondContact CE1-OD1 3.44Å; H361-D595 VanDerWaalsContact CE1-OD1 3.25Å; H361-D595 IonicContact CE1-OD2 3.92Å; H361-D595 PolarHBondContact CE1-OD2 3.15Å; H361-D595 IonicContact ND1-OD1 2.84Å; H361-D595 IonicContact NE2-OD2 2.76Å; Y362-D595 WeakPolarHBondContact CE1-OD1 3.32Å; Y362-D595 PolarHBondContact OH-OD1 3.2Å; W591-D595 WeakPolarHBondContact O-CB 3.1Å; W591-D595 PolarHBondContact O-N 3.42Å; S593-D595 VanDerWaalsContact C-N 3.33Å; S593-D595 PolarHBondContact O-N 3.13Å; D595-F597 PolarHBondContact O-N 3.38Å; D595-L599 PolarHBondContact O-N 2.94Å; D595-K600 WeakPolarHBondContact O-CB 3.43Å; D595-K600 PolarHBondContact O-N 3.26Å; D595-K600 WeakPolarHBondContact OD2-CE 3.4Å; D595-K600 IonicContact OD2-NZ 2.95Å
596	K	63.4	Low	62.3	Low	141 Å²	141	61.7 Å²	61.7	61%	0.613	32%	0.315	S	S	*	.	I	π-helix	trans	-64	-40.5	-179.9	-170.7	174.9	-178.9	176.4	0	112.6	M592 S593 P601	M592-K596 VanDerWaalsContact O-CB 3.22Å; M592-K596 WeakPolarHBondContact O-CB 3.31Å; M592-K596 PolarHBondContact O-N 2.99Å; S593-K596 PolarHBondContact O-N 2.84Å; K596-P601 WeakPolarHBondContact O-CD 3.44Å
597	F	58.1	Low	62.7	Low	116 Å²	116	60.8 Å²	60.8	51%	0.509	31%	0.306	S	S	.	.	I	π-helix	trans	-87.5	-32.2	-174.3	-71.5	-62.9	0	0	0	114.5	S593 D595 S613	S593-F597 WeakPolarHBondContact O-CB 3.13Å; S593-F597 WeakPolarHBondContact O-CD2 3.48Å; S593-F597 PolarHBondContact O-N 3.31Å; D595-F597 PolarHBondContact O-N 3.38Å; F597-S613 PolarHBondContact O-OG 3.16Å
598	Y	61.3	Low	63	Low	106 Å²	106	59.4 Å²	59.4	42%	0.416	30%	0.297	S	S	.	.	I	π-helix	trans	-117.8	-51.2	-173.7	-63.4	-75.1	0	0	0	113	F594 L602	F594-Y598 AromaticContact CD2-CD2 3.66Å; F594-Y598 HydrophobicContact CD2-CD2 3.66Å; F594-Y598 HydrophobicContact CD2-CE2 4.42Å; F594-Y598 HydrophobicContact CD2-CG 4.33Å; F594-Y598 AromaticContact CE2-CD2 3.97Å; F594-Y598 HydrophobicContact CE2-CD2 3.97Å; F594-Y598 HydrophobicContact CE2-CG 4.23Å; F594-Y598 HydrophobicContact CG-CD2 4.47Å; F594-Y598 WeakPolarHBondContact O-CB 3.43Å; F594-Y598 PolarHBondContact O-N 3.12Å; Y598-L602 WeakPolarHBondContact O-CB 3.03Å; Y598-L602 PolarHBondContact O-N 2.91Å
599	L	71.3	Confident	62.9	Low	32 Å²	32	59.4 Å²	59.4	17%	0.168	30%	0.296	C	S	.	.	I	π-helix	trans	-80.5	-41.6	-165	-158.1	52.6	0	0	0	112.8	Y362 F594 D595 L602 L603	Y362-L599 HydrophobicContact CD1-CG 4.49Å; Y362-L599 HydrophobicContact CE1-CB 4.11Å; Y362-L599 HydrophobicContact CE1-CD2 3.96Å; Y362-L599 HydrophobicContact CE1-CG 3.6Å; Y362-L599 HydrophobicContact CE2-CD2 4.15Å; Y362-L599 HydrophobicContact CE2-CG 4.42Å; Y362-L599 VanDerWaalsContact CZ-CD2 3.41Å; Y362-L599 WeakPolarHBondContact OH-CD2 3.41Å; F594-L599 HydrophobicContact CE1-CB 4.45Å; F594-L599 HydrophobicContact CE1-CD2 4.25Å; F594-L599 PolarHBondContact O-N 3.37Å; D595-L599 PolarHBondContact O-N 2.94Å; L599-L602 PolarHBondContact O-N 3.23Å; L599-L603 HydrophobicContact CD1-CD1 3.5Å; L599-L603 VanDerWaalsContact CD1-CD1 3.5Å; L599-L603 HydrophobicContact CD1-CG 3.99Å; L599-L603 HydrophobicContact CG-CD1 3.77Å; L599-L603 HydrophobicContact CG-CG 4.45Å; L599-L603 VanDerWaalsContact O-CB 3.31Å; L599-L603 WeakPolarHBondContact O-CB 3.37Å; L599-L603 WeakPolarHBondContact O-CG 3.08Å; L599-L603 PolarHBondContact O-N 2.9Å
600	K	74.4	Confident	62.7	Low	56 Å²	56	56.6 Å²	56.6	24%	0.243	28%	0.276	C	S	.	.	H	α-helix	trans	-63.1	-51.4	174.4	-81.6	177.8	176.6	170.3	0	112.4	Y362 D595 L602 L603 T604	Y362-K600 HydrophobicContact CE1-CG 4.47Å; D595-K600 WeakPolarHBondContact O-CB 3.43Å; D595-K600 PolarHBondContact O-N 3.26Å; D595-K600 WeakPolarHBondContact OD2-CE 3.4Å; D595-K600 IonicContact OD2-NZ 2.95Å; K600-L602 VanDerWaalsContact C-N 3.26Å; K600-L602 PolarHBondContact O-N 2.92Å; K600-L603 PolarHBondContact O-N 3.13Å; K600-T604 WeakPolarHBondContact O-CA 3.47Å; K600-T604 WeakPolarHBondContact O-CB 3.45Å; K600-T604 PolarHBondContact O-N 3.06Å; K600-T604 PolarHBondContact O-OG1 3.2Å
601	P	63.9	Low	62.5	Low	3 Å²	3	52.5 Å²	52.5	2%	0.019	26%	0.261	C	S	.	.	H	α-helix	trans	-61.8	-34	177.9	-26.2	36.5	0	0	0	113.3	K315 K596 T604 L610 Q630	K315-P601 PolarHBondContact NZ-O 2.77Å; K596-P601 WeakPolarHBondContact O-CD 3.44Å; P601-T604 VanDerWaalsContact O-O 3.11Å; P601-L610 HydrophobicContact CB-CD2 4.32Å; P601-L610 HydrophobicContact CB-CG 4.03Å; P601-Q630 PolarHBondContact O-NE2 3.37Å
602	L	73.7	Confident	62	Low	54 Å²	54	55.6 Å²	55.6	28%	0.283	28%	0.279	S	S	.	.	H	α-helix	trans	-68.3	-55.5	177.1	-177.1	68.7	0	0	0	112.1	K315 Y598 L599 K600 L610 L625	K315-L602 PolarHBondContact NZ-O 2.82Å; Y598-L602 WeakPolarHBondContact O-CB 3.03Å; Y598-L602 PolarHBondContact O-N 2.91Å; L599-L602 PolarHBondContact O-N 3.23Å; K600-L602 VanDerWaalsContact C-N 3.26Å; K600-L602 PolarHBondContact O-N 2.92Å; L602-L610 HydrophobicContact CB-CD2 4.36Å; L602-L610 HydrophobicContact CD1-CD1 4.24Å; L602-L625 HydrophobicContact CD1-CD1 3.8Å
603	L	74.6	Confident	61.8	Low	3 Å²	3	52.5 Å²	52.5	2%	0.016	27%	0.266	C	S	.	.	H	α-helix	trans	-86.8	-18.6	-170.2	-62.8	-179.4	0	0	0	113.5	C308 S311 L312 Y362 N366 L599 K600	C308-L603 HydrophobicContact CB-CD1 4.19Å; C308-L603 HydrophobicContact CB-CD2 4.1Å; S311-L603 PolarHBondContact OG-O 3.47Å; L312-L603 HydrophobicContact CD1-CD2 4.21Å; L312-L603 HydrophobicContact CD2-CD2 3.78Å; L312-L603 HydrophobicContact CG-CD2 3.67Å; Y362-L603 HydrophobicContact CD1-CB 4.01Å; Y362-L603 HydrophobicContact CD1-CD1 3.72Å; Y362-L603 HydrophobicContact CD1-CG 4.47Å; Y362-L603 HydrophobicContact CD2-CD1 3.81Å; Y362-L603 HydrophobicContact CE1-CD1 4.08Å; Y362-L603 HydrophobicContact CE2-CD1 4.18Å; Y362-L603 HydrophobicContact CG-CB 4.17Å; Y362-L603 HydrophobicContact CG-CD1 3.59Å; N366-L603 PolarHBondContact ND2-O 3.13Å; L599-L603 HydrophobicContact CD1-CD1 3.5Å; L599-L603 VanDerWaalsContact CD1-CD1 3.5Å; L599-L603 HydrophobicContact CD1-CG 3.99Å; L599-L603 HydrophobicContact CG-CD1 3.77Å; L599-L603 HydrophobicContact CG-CG 4.45Å; L599-L603 VanDerWaalsContact O-CB 3.31Å; L599-L603 WeakPolarHBondContact O-CB 3.37Å; L599-L603 WeakPolarHBondContact O-CG 3.08Å; L599-L603 PolarHBondContact O-N 2.9Å; K600-L603 PolarHBondContact O-N 3.13Å
604	T	73	Confident	61.6	Low	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	-126.3	176.1	-177.4	75.8	0	0	0	0	112.5	K315 Y362 N365 N366 K600 P601 S606 Q630	K315-T604 PolarHBondContact NZ-O 3.33Å; Y362-T604 HydrophobicContact CD1-CG2 4.39Å; Y362-T604 WeakPolarHBondContact O-CG2 3.39Å; N365-T604 HydrophobicContact CB-CG2 4.35Å; N366-T604 WeakPolarHBondContact OD1-CA 3.24Å; N366-T604 VanDerWaalsContact OD1-CB 3.23Å; N366-T604 WeakPolarHBondContact OD1-CB 3.47Å; K600-T604 WeakPolarHBondContact O-CA 3.47Å; K600-T604 WeakPolarHBondContact O-CB 3.45Å; K600-T604 PolarHBondContact O-N 3.06Å; K600-T604 PolarHBondContact O-OG1 3.2Å; P601-T604 VanDerWaalsContact O-O 3.11Å; T604-S606 VanDerWaalsContact C-N 3.27Å; T604-S606 WeakPolarHBondContact OG1-CB 3.39Å; T604-S606 PolarHBondContact OG1-N 3.36Å; T604-S606 PolarHBondContact OG1-OG 3.38Å; T604-Q630 PolarHBondContact O-NE2 3.38Å; T604-Q630 VanDerWaalsContact O-NE2 3.07Å
605	H	59.8	Low	60.8	Low	25 Å²	25	52.3 Å²	52.3	12%	0.116	27%	0.271	C	S	.	.	S	Bend	trans	-84.1	4.3	172.8	-64.7	-99.8	0	0	0	113.6	K320 T627 E629 Q630	K320-H605 PolarHBondContact NZ-NE2 2.8Å; H605-T627 PolarHBondContact ND1-OG1 2.79Å; H605-E629 IonicContact CE1-OE2 3.31Å; H605-E629 PolarHBondContact CE1-OE2 2.93Å; H605-E629 IonicContact ND1-OE2 3.71Å; H605-E629 PolarHBondContact ND1-OE2 2.93Å; H605-E629 IonicContact NE2-OE2 3.77Å; H605-Q630 HydrophobicContact CB-CG 4.15Å; H605-Q630 WeakPolarHBondContact O-CG 2.94Å
606	S	57.3	Low	60	Low	46 Å²	46	58 Å²	58	32%	0.322	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-58.9	139.3	-176.8	-50.1	0	0	0	0	112.4	T604 Q630	T604-S606 VanDerWaalsContact C-N 3.27Å; T604-S606 WeakPolarHBondContact OG1-CB 3.39Å; T604-S606 PolarHBondContact OG1-N 3.36Å; T604-S606 PolarHBondContact OG1-OG 3.38Å; S606-Q630 PolarHBondContact O-NE2 2.85Å
607	T	54	Low	59.9	Low	78 Å²	78	56.8 Å²	56.8	48%	0.479	32%	0.318	S	S	.	.	S	Bend	trans	-81.1	151.7	169.5	44.6	0	0	0	0	111.1
608	P	51.9	Low	59.6	Low	59 Å²	59	53.2 Å²	53.2	38%	0.383	31%	0.307	S	S	.	.	S	Bend	cis	-81	154.5	2	31.9	-34	0	0	0	113.8
609	P	52.6	Low	59.4	Low	10 Å²	10	54.7 Å²	54.7	7%	0.065	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-65	151.4	179.3	26.9	-34.2	0	0	0	112.4	T611 E612 T626 T634	P609-T611 PolarHBondContact O-N 3.05Å; P609-E612 PolarHBondContact O-N 3.24Å; P609-T626 HydrophobicContact CB-CG2 4.46Å; P609-T634 HydrophobicContact CG-CG2 4.1Å
610	L	51.9	Low	58.8	Low	5 Å²	5	61.9 Å²	61.9	3%	0.026	34%	0.343	C	S	.	.	H	α-helix	trans	-49.9	-20.7	176.3	-75.5	152.3	0	0	0	114.2	P601 L602 E612 S613 L614 A622 L625	P601-L610 HydrophobicContact CB-CD2 4.32Å; P601-L610 HydrophobicContact CB-CG 4.03Å; L602-L610 HydrophobicContact CB-CD2 4.36Å; L602-L610 HydrophobicContact CD1-CD1 4.24Å; L610-E612 VanDerWaalsContact C-N 3.26Å; L610-E612 PolarHBondContact O-N 2.95Å; L610-S613 PolarHBondContact O-N 3.29Å; L610-L614 HydrophobicContact CB-CD1 3.88Å; L610-L614 HydrophobicContact CD2-CD1 3.49Å; L610-L614 VanDerWaalsContact CD2-CD1 3.49Å; L610-L614 HydrophobicContact CG-CD1 4.28Å; L610-L614 PolarHBondContact O-N 2.79Å; L610-A622 HydrophobicContact CB-CB 4.2Å; L610-L625 HydrophobicContact CD1-CB 4.18Å
611	T	54.5	Low	57.9	Low	52 Å²	52	66.3 Å²	66.3	32%	0.319	36%	0.363	S	S	.	.	H	α-helix	trans	-65.2	-25.2	177.2	50.6	0	0	0	0	113.7	P609 Y619	P609-T611 PolarHBondContact O-N 3.05Å; T611-Y619 HydrophobicContact CG2-CE2 4.09Å
612	E	54.8	Low	57.5	Low	146 Å²	146	66.3 Å²	66.3	68%	0.682	36%	0.362	S	S	*	.	H	α-helix	trans	-92.5	-26.1	176.5	-67.8	-161.4	162.1	0	0	113.5	P609 L610	P609-E612 PolarHBondContact O-N 3.24Å; L610-E612 VanDerWaalsContact C-N 3.26Å; L610-E612 PolarHBondContact O-N 2.95Å
613	S	54.5	Low	56.6	Low	29 Å²	29	69.9 Å²	69.9	20%	0.203	38%	0.376	C	S	.	.	H	α-helix	trans	-94.3	-18.4	-174.1	65.1	0	0	0	0	115.3	F597 L610	F597-S613 PolarHBondContact O-OG 3.16Å; L610-S613 PolarHBondContact O-N 3.29Å
614	L	50.8	Low	56.1	Low	56 Å²	56	77.5 Å²	77.5	29%	0.293	41%	0.409	S	S	.	.	S	Bend	trans	-94.7	139.2	-179.2	-86.7	134.9	0	0	0	113.3	L610 C618 A622	L610-L614 HydrophobicContact CB-CD1 3.88Å; L610-L614 HydrophobicContact CD2-CD1 3.49Å; L610-L614 VanDerWaalsContact CD2-CD1 3.49Å; L610-L614 HydrophobicContact CG-CD1 4.28Å; L610-L614 PolarHBondContact O-N 2.79Å; L614-C618 HydrophobicContact CD2-CB 3.78Å; L614-A622 HydrophobicContact CD1-CB 4.14Å
615	P	49.9	Very low	55.4	Low	82 Å²	82	79.8 Å²	79.8	53%	0.532	42%	0.421	S	S	.	.			trans	-61.5	149.7	171.2	23.4	-31.3	0	0	0	112.1	C617 C618	P615-C617 PolarHBondContact O-N 2.85Å; P615-C618 PolarHBondContact O-N 3.23Å; P615-C618 VanDerWaalsContact O-N 3.09Å
616	S	54	Low	55.4	Low	119 Å²	119	79.9 Å²	79.9	83%	0.832	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-53.8	-21.1	-165.3	-51	0	0	0	0	116.3	C618	S616-C618 VanDerWaalsContact C-N 3.27Å; S616-C618 PolarHBondContact O-N 3.42Å
617	C	61.9	Low	55.5	Low	115 Å²	115	78.7 Å²	78.7	78%	0.777	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-69	-21.6	179	71.3	0	0	0	0	113.8	P615	P615-C617 PolarHBondContact O-N 2.85Å
618	C	50.9	Low	55.6	Low	41 Å²	41	80.1 Å²	80.1	28%	0.277	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-102.5	10.1	-175.5	-68.5	0	0	0	0	114	L614 P615 S616 K620 F621 A622	L614-C618 HydrophobicContact CD2-CB 3.78Å; P615-C618 PolarHBondContact O-N 3.23Å; P615-C618 VanDerWaalsContact O-N 3.09Å; S616-C618 VanDerWaalsContact C-N 3.27Å; S616-C618 PolarHBondContact O-N 3.42Å; C618-K620 VanDerWaalsContact C-N 3.27Å; C618-K620 PolarHBondContact O-N 3.18Å; C618-F621 PolarHBondContact O-N 2.76Å; C618-F621 VanDerWaalsContact O-N 3.07Å; C618-A622 PolarHBondContact O-N 2.93Å
619	Y	57.7	Low	55.9	Low	137 Å²	137	80.3 Å²	80.3	54%	0.537	42%	0.423	S	S	.	.	H	α-helix	trans	-57.4	-35.4	-174.6	-169.9	-100.3	0	0	0	113.7	T611 A622 K623	T611-Y619 HydrophobicContact CG2-CE2 4.09Å; Y619-A622 PolarHBondContact O-N 3.07Å; Y619-K623 VanDerWaalsContact O-CB 3.3Å; Y619-K623 WeakPolarHBondContact O-CB 3.05Å; Y619-K623 PolarHBondContact O-N 2.79Å
620	K	58.4	Low	56.1	Low	183 Å²	183	80 Å²	80	80%	0.796	42%	0.421	S	S	*	.	H	α-helix	trans	-65.1	-42.4	176.6	-71.4	-174.4	179.6	178.4	0	112.6	C618 F624	C618-K620 VanDerWaalsContact C-N 3.27Å; C618-K620 PolarHBondContact O-N 3.18Å; K620-F624 PolarHBondContact O-N 3.47Å; K620-F624 VanDerWaalsContact O-N 3.13Å
621	F	55.7	Low	56.3	Low	150 Å²	150	86.5 Å²	86.5	66%	0.658	45%	0.445	S	S	*	.	H	α-helix	trans	-71.1	-41.7	176.4	-74.3	-77.3	0	0	0	111.5	C618 K623 F624 L625	C618-F621 PolarHBondContact O-N 2.76Å; C618-F621 VanDerWaalsContact O-N 3.07Å; F621-K623 VanDerWaalsContact C-N 3.27Å; F621-K623 PolarHBondContact O-N 2.87Å; F621-F624 PolarHBondContact O-N 2.97Å; F621-L625 WeakPolarHBondContact O-CG 3.28Å; F621-L625 PolarHBondContact O-N 3.48Å
622	A	55.6	Low	56.2	Low	2 Å²	2	86.9 Å²	86.9	2%	0.017	45%	0.45	C	S	.	.	H	α-helix	trans	-57.2	-42.6	174.1	0	0	0	0	0	111.2	L610 L614 C618 Y619 L625 T626	L610-A622 HydrophobicContact CB-CB 4.2Å; L614-A622 HydrophobicContact CD1-CB 4.14Å; C618-A622 PolarHBondContact O-N 2.93Å; Y619-A622 PolarHBondContact O-N 3.07Å; A622-L625 PolarHBondContact O-N 2.82Å; A622-T626 WeakPolarHBondContact O-CB 2.88Å; A622-T626 PolarHBondContact O-N 3.39Å; A622-T626 PolarHBondContact O-OG1 2.71Å
623	K	55.3	Low	56.2	Low	129 Å²	129	84.9 Å²	84.9	56%	0.561	44%	0.441	S	S	*	.	H	α-helix	trans	-66.4	-37.4	177.2	-169.2	178.6	-179.4	-176.3	0	113.1	Y619 F621	Y619-K623 VanDerWaalsContact O-CB 3.3Å; Y619-K623 WeakPolarHBondContact O-CB 3.05Å; Y619-K623 PolarHBondContact O-N 2.79Å; F621-K623 VanDerWaalsContact C-N 3.27Å; F621-K623 PolarHBondContact O-N 2.87Å
624	F	63.6	Low	55.9	Low	163 Å²	163	84.8 Å²	84.8	72%	0.715	44%	0.439	S	S	*	.	H	α-helix	trans	-68.7	-36.6	176.8	-178.8	-101.4	0	0	0	112.4	K620 F621	K620-F624 PolarHBondContact O-N 3.47Å; K620-F624 VanDerWaalsContact O-N 3.13Å; F621-F624 PolarHBondContact O-N 2.97Å
625	L	58.2	Low	55.8	Low	48 Å²	48	87.2 Å²	87.2	25%	0.251	45%	0.447	S	S	.	.	H	α-helix	trans	-84.9	-13.7	-178.3	-65.4	168.4	0	0	0	113.8	F316 L602 L610 F621 A622	F316-L625 HydrophobicContact CE2-CD2 4.48Å; F316-L625 HydrophobicContact CZ-CD2 3.87Å; L602-L625 HydrophobicContact CD1-CD1 3.8Å; L610-L625 HydrophobicContact CD1-CB 4.18Å; F621-L625 WeakPolarHBondContact O-CG 3.28Å; F621-L625 PolarHBondContact O-N 3.48Å; A622-L625 PolarHBondContact O-N 2.82Å
626	T	59.8	Low	55.8	Low	27 Å²	27	88.5 Å²	88.5	17%	0.166	45%	0.453	C	S	.	.	S	Bend	trans	-82.2	116.8	177	-59.1	0	0	0	0	109.5	P609 A622 Q630	P609-T626 HydrophobicContact CB-CG2 4.46Å; A622-T626 WeakPolarHBondContact O-CB 2.88Å; A622-T626 PolarHBondContact O-N 3.39Å; A622-T626 PolarHBondContact O-OG1 2.71Å; T626-Q630 HydrophobicContact CG2-CB 4.12Å
627	T	60	Low	55.3	Low	22 Å²	22	86 Å²	86	14%	0.135	44%	0.435	C	S	.	.			trans	-75.9	157.7	178.9	58.2	0	0	0	0	111.7	K315 F316 H605 E629 Q630 R631	K315-T627 HydrophobicContact CG-CG2 4.05Å; F316-T627 HydrophobicContact CE1-CG2 4.46Å; H605-T627 PolarHBondContact ND1-OG1 2.79Å; T627-E629 PolarHBondContact O-N 3.07Å; T627-Q630 PolarHBondContact O-N 2.96Å; T627-R631 PolarHBondContact O-N 3.37Å
628	S	55.7	Low	54	Low	108 Å²	108	84.5 Å²	84.5	76%	0.755	42%	0.42	S	S	*	.	H	α-helix	trans	-58	-34.7	176.9	-59.5	0	0	0	0	112.8	R631 S632	S628-R631 WeakPolarHBondContact O-CB 3.07Å; S628-R631 PolarHBondContact O-N 2.83Å; S628-S632 PolarHBondContact O-N 2.9Å; S628-S632 PolarHBondContact O-OG 3.31Å
629	E	59.1	Low	53.2	Low	63 Å²	63	88.4 Å²	88.4	29%	0.294	44%	0.438	S	S	.	.	H	α-helix	trans	-63.2	-45.1	176.3	-71.2	-176.7	165.7	0	0	112.7	H318 K320 H605 T627 R631 S632 E633	H318-E629 IonicContact CD2-OE1 3.77Å; H318-E629 IonicContact CE1-OE1 3.64Å; H318-E629 IonicContact NE2-OE1 3.84Å; H318-E629 PolarHBondContact NE2-OE1 2.87Å; K320-E629 IonicContact NZ-OE2 3.57Å; K320-E629 PolarHBondContact NZ-OE2 3.42Å; K320-E629 VanDerWaalsContact NZ-OE2 3.15Å; H605-E629 IonicContact CE1-OE2 3.31Å; H605-E629 PolarHBondContact CE1-OE2 2.93Å; H605-E629 IonicContact ND1-OE2 3.71Å; H605-E629 PolarHBondContact ND1-OE2 2.93Å; H605-E629 IonicContact NE2-OE2 3.77Å; T627-E629 PolarHBondContact O-N 3.07Å; E629-R631 PolarHBondContact O-N 2.81Å; E629-S632 WeakPolarHBondContact CA-OG 3.19Å; E629-S632 PolarHBondContact O-N 3.28Å; E629-S632 PolarHBondContact O-OG 3.23Å; E629-E633 PolarHBondContact O-N 2.83Å
630	Q	55.8	Low	52	Low	2 Å²	2	84.4 Å²	84.4	1%	0.009	44%	0.439	C	S	.	.	H	α-helix	trans	-60.8	-35.6	174.5	-81.6	-177.1	-56.6	0	0	111	P601 T604 H605 S606 T626 T627 T634	P601-Q630 PolarHBondContact O-NE2 3.37Å; T604-Q630 PolarHBondContact O-NE2 3.38Å; T604-Q630 VanDerWaalsContact O-NE2 3.07Å; H605-Q630 HydrophobicContact CB-CG 4.15Å; H605-Q630 WeakPolarHBondContact O-CG 2.94Å; S606-Q630 PolarHBondContact O-NE2 2.85Å; T626-Q630 HydrophobicContact CG2-CB 4.12Å; T627-Q630 PolarHBondContact O-N 2.96Å; Q630-T634 WeakPolarHBondContact O-CB 3.45Å; Q630-T634 PolarHBondContact O-N 3.05Å; Q630-T634 PolarHBondContact O-OG1 3.13Å
631	R	55.3	Low	50.5	Low	142 Å²	142	82.1 Å²	82.1	54%	0.536	44%	0.435	S	S	.	.	H	α-helix	trans	-70	-41.2	177.8	-154.5	-178.3	179	173.8	-6.3	111.9	T627 S628 E629 T634 F635	T627-R631 PolarHBondContact O-N 3.37Å; S628-R631 WeakPolarHBondContact O-CB 3.07Å; S628-R631 PolarHBondContact O-N 2.83Å; E629-R631 PolarHBondContact O-N 2.81Å; R631-T634 PolarHBondContact O-N 3.42Å; R631-F635 HydrophobicContact CG-CD2 3.88Å; R631-F635 HydrophobicContact CG-CE2 3.55Å; R631-F635 WeakPolarHBondContact O-CD2 3.49Å; R631-F635 PolarHBondContact O-N 3.43Å
632	S	54.2	Low	49.1	Very low	61 Å²	61	81.9 Å²	81.9	43%	0.427	44%	0.441	S	S	.	.	H	α-helix	trans	-66.3	-41.5	177.8	49.4	0	0	0	0	112.8	S628 E629 T634 F635 V636	S628-S632 PolarHBondContact O-N 2.9Å; S628-S632 PolarHBondContact O-OG 3.31Å; E629-S632 WeakPolarHBondContact CA-OG 3.19Å; E629-S632 PolarHBondContact O-N 3.28Å; E629-S632 PolarHBondContact O-OG 3.23Å; S632-T634 VanDerWaalsContact C-N 3.3Å; S632-T634 PolarHBondContact O-N 3.28Å; S632-F635 PolarHBondContact O-N 2.84Å; S632-V636 WeakPolarHBondContact O-CG2 3.04Å; S632-V636 PolarHBondContact O-N 3.01Å
633	E	53.8	Low	47.6	Very low	104 Å²	104	86.2 Å²	86.2	49%	0.486	47%	0.471	S	S	.	.	H	α-helix	trans	-65	-36	175.7	-71.5	-175.8	173.8	0	0	111.9	E629 S637	E629-E633 PolarHBondContact O-N 2.83Å; E633-S637 WeakPolarHBondContact O-CB 3.03Å; E633-S637 PolarHBondContact O-N 3.04Å; E633-S637 PolarHBondContact O-OG 3.18Å
634	T	48.9	Very low	46.2	Very low	26 Å²	26	90.8 Å²	90.8	16%	0.16	49%	0.486	C	S	.	.	H	α-helix	trans	-68.6	-39.5	174.5	-46.4	0	0	0	0	111.7	P609 Q630 R631 S632 S637 N638	P609-T634 HydrophobicContact CG-CG2 4.1Å; Q630-T634 WeakPolarHBondContact O-CB 3.45Å; Q630-T634 PolarHBondContact O-N 3.05Å; Q630-T634 PolarHBondContact O-OG1 3.13Å; R631-T634 PolarHBondContact O-N 3.42Å; S632-T634 VanDerWaalsContact C-N 3.3Å; S632-T634 PolarHBondContact O-N 3.28Å; T634-S637 PolarHBondContact O-N 3.11Å; T634-N638 WeakPolarHBondContact O-CB 2.85Å; T634-N638 PolarHBondContact O-N 2.91Å
635	F	47.4	Very low	44.1	Very low	108 Å²	108	91.7 Å²	91.7	47%	0.474	49%	0.492	S	S	.	.	H	α-helix	trans	-64.5	-41.8	175	-83.6	-65	0	0	0	112.1	R631 S632 S637 N638 D639	R631-F635 HydrophobicContact CG-CD2 3.88Å; R631-F635 HydrophobicContact CG-CE2 3.55Å; R631-F635 WeakPolarHBondContact O-CD2 3.49Å; R631-F635 PolarHBondContact O-N 3.43Å; S632-F635 PolarHBondContact O-N 2.84Å; F635-S637 VanDerWaalsContact C-N 3.29Å; F635-S637 PolarHBondContact O-N 3.39Å; F635-N638 PolarHBondContact O-N 3.14Å; F635-D639 WeakPolarHBondContact O-CB 2.85Å; F635-D639 PolarHBondContact O-N 2.75Å
636	V	49.8	Very low	42.4	Very low	109 Å²	109	96 Å²	96	66%	0.661	52%	0.516	S	S	*	.	H	α-helix	trans	-62.2	-38.7	173.9	174.4	0	0	0	0	111.2	S632 G640	S632-V636 WeakPolarHBondContact O-CG2 3.04Å; S632-V636 PolarHBondContact O-N 3.01Å; V636-G640 PolarHBondContact O-N 3.46Å
637	S	43.3	Very low	40.7	Very low	65 Å²	65	102 Å²	102	46%	0.455	55%	0.547	S	S	.	.	H	α-helix	trans	-70.5	-37.5	177.3	-54.9	0	0	0	0	112.8	E633 T634 F635 N641	E633-S637 WeakPolarHBondContact O-CB 3.03Å; E633-S637 PolarHBondContact O-N 3.04Å; E633-S637 PolarHBondContact O-OG 3.18Å; T634-S637 PolarHBondContact O-N 3.11Å; F635-S637 VanDerWaalsContact C-N 3.29Å; F635-S637 PolarHBondContact O-N 3.39Å; S637-N641 PolarHBondContact O-N 3.23Å
638	N	35.5	Very low	38.9	Very low	84 Å²	84	109.5 Å²	109.5	45%	0.449	58%	0.578	S	S	.	*	H	α-helix	trans	-79.1	-37	180	-85.7	-10.5	0	0	0	113.3	T634 F635 G640 N641	T634-N638 WeakPolarHBondContact O-CB 2.85Å; T634-N638 PolarHBondContact O-N 2.91Å; F635-N638 PolarHBondContact O-N 3.14Å; N638-G640 PolarHBondContact O-N 3.47Å; N638-N641 PolarHBondContact O-N 2.97Å
639	D	34.8	Very low	37.4	Very low	124 Å²	124	111.2 Å²	111.2	66%	0.663	57%	0.572	S	S	*	*	H	α-helix	trans	-66.1	-29.3	172.7	-78.1	-22.2	0	0	0	111.2	F635 N641	F635-D639 WeakPolarHBondContact O-CB 2.85Å; F635-D639 PolarHBondContact O-N 2.75Å; D639-N641 VanDerWaalsContact C-N 3.34Å; D639-N641 PolarHBondContact O-N 3.31Å
640	G	32.1	Very low	35.6	Very low	53 Å²	53	119.4 Å²	119.4	55%	0.546	60%	0.6	S	S	.	*	H	α-helix	trans	-68.9	-24.5	172.9	0	0	0	0	0	114.9	V636 N638	V636-G640 PolarHBondContact O-N 3.46Å; N638-G640 PolarHBondContact O-N 3.47Å
641	N	27	Very low	34.1	Very low	134 Å²	134	123.8 Å²	123.8	72%	0.717	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-8.9	-175.5	-87.4	-14.8	0	0	0	114.6	S637 N638 D639	S637-N641 PolarHBondContact O-N 3.23Å; N638-N641 PolarHBondContact O-N 2.97Å; D639-N641 VanDerWaalsContact C-N 3.34Å; D639-N641 PolarHBondContact O-N 3.31Å
642	N	24.7	Very low	32.7	Very low	146 Å²	146	121.8 Å²	121.8	78%	0.781	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	13.8	179.9	-85.6	-17.7	0	0	0	114.7
643	S	25.1	Very low	31.3	Very low	93 Å²	93	123.5 Å²	123.5	65%	0.65	64%	0.639	S	S	*	*	S	Bend	trans	-128.6	105.2	172.8	-82.6	0	0	0	0	112.6
644	Y	25.6	Very low	29.8	Very low	225 Å²	225	123.9 Å²	123.9	88%	0.882	65%	0.649	S	S	*	*			trans	56.4	112.5	157.3	-76.6	-87.4	0	0	0	120	N646	Y644-N646 PolarHBondContact O-N 2.93Å
645	H	20.5	Very low	28.6	Very low	182 Å²	182	127.9 Å²	127.9	84%	0.843	67%	0.673	S	S	*	*			trans	-40	115.9	144.9	-93.5	-87.3	0	0	0	112.8
646	N	22.4	Very low	27.5	Very low	139 Å²	139	131.7 Å²	131.7	74%	0.743	69%	0.689	S	S	*	*				163	132.7	126.6	-84.9	-25.6	0	0	0	111.3	Y644	Y644-N646 PolarHBondContact O-N 2.93Å
647	N	22.8	Very low	26.2	Very low	153 Å²	153	136 Å²	136	82%	0.818	70%	0.695	S	S	*	*			trans	68.2	94.5	162.5	-64.2	-22.6	0	0	0	119.3
648	F	22.9	Very low	25.2	Very low	178 Å²	178	138.5 Å²	138.5	78%	0.781	71%	0.713	S	S	*	*				42.3	121.4	126.6	-137.4	-113.2	0	0	0	120.4
649	K	23.5	Very low	24.5	Very low	145 Å²	145	142.1 Å²	142.1	63%	0.63	73%	0.732	S	S	*	*			trans	67.8	95.8	152.1	-80.5	-171.9	177.8	-175.8	0	118.9
650	R	21.9	Very low	24.1	Very low	234 Å²	234	144.5 Å²	144.5	88%	0.883	74%	0.739	S	S	*	*			trans	-126.1	98.4	138.2	-81.8	-174.9	179.4	150.3	0.6	109	S652	R650-S652 PolarHBondContact O-N 3.12Å
651	D	25	Very low	23.5	Very low	94 Å²	94	152.6 Å²	152.6	50%	0.503	76%	0.76	S	S	.	*			trans	-75.1	96.3	157.9	-77.7	-42.8	0	0	0	108.1	T653	D651-T653 VanDerWaalsContact C-N 3.27Å; D651-T653 PolarHBondContact O-N 3.14Å; D651-T653 VanDerWaalsContact O-N 3.16Å
652	S	25	Very low	23.3	Very low	101 Å²	101	149.6 Å²	149.6	71%	0.706	75%	0.753	S	S	*	*			trans	-80.7	76.2	166.4	-60.3	0	0	0	0	108.5	R650	R650-S652 PolarHBondContact O-N 3.12Å
653	T	24.7	Very low	23.2	Very low	96 Å²	96	148.3 Å²	148.3	59%	0.589	76%	0.755	S	S	*	*			trans	-167.3	49.7	157.4	11.8	0	0	0	0	110.3	T574 D651 V655	T574-T653 WeakPolarHBondContact CG2-OG1 3.24Å; D651-T653 VanDerWaalsContact C-N 3.27Å; D651-T653 PolarHBondContact O-N 3.14Å; D651-T653 VanDerWaalsContact O-N 3.16Å; T653-V655 PolarHBondContact O-N 3.45Å
654	T	22.9	Very low	23.2	Very low	112 Å²	112	151.3 Å²	151.3	69%	0.687	76%	0.763	S	S	*	*			trans	-74.3	92.4	161.6	49.5	0	0	0	0	108.9	F656	T654-F656 PolarHBondContact O-N 3.01Å
655	V	24.3	Very low	23	Very low	110 Å²	110	145.8 Å²	145.8	67%	0.667	76%	0.757	S	S	*	*			trans	-69.5	111.4	163.1	177	0	0	0	0	107.1	T653 Y657	T653-V655 PolarHBondContact O-N 3.45Å; V655-Y657 PolarHBondContact O-N 2.76Å; V655-Y657 VanDerWaalsContact O-N 3.1Å
656	F	22.8	Very low	23.2	Very low	188 Å²	188	142.4 Å²	142.4	83%	0.825	75%	0.754	S	S	*	*			trans	-61	109.5	174.3	-74.6	-92.9	0	0	0	109.7	T654	T654-F656 PolarHBondContact O-N 3.01Å
657	Y	22.8	Very low	23.4	Very low	200 Å²	200	142.3 Å²	142.3	78%	0.784	76%	0.759	S	S	*	*			trans	-85.5	103.6	154.3	-82.4	-80.7	0	0	0	107.7	V655 N659	V655-Y657 PolarHBondContact O-N 2.76Å; V655-Y657 VanDerWaalsContact O-N 3.1Å; Y657-N659 VanDerWaalsContact C-N 3.35Å; Y657-N659 PolarHBondContact O-N 2.68Å
658	S	23.7	Very low	23.6	Very low	118 Å²	118	142.7 Å²	142.7	83%	0.825	76%	0.76	S	S	*	*			trans	-64.8	97.1	165	19.7	0	0	0	0	108.5
659	N	20.5	Very low	23.7	Very low	160 Å²	160	138.9 Å²	138.9	86%	0.856	76%	0.755	S	S	*	*			trans	-110.5	59.2	167.1	-141.2	17.6	0	0	0	108.1	Y657	Y657-N659 VanDerWaalsContact C-N 3.35Å; Y657-N659 PolarHBondContact O-N 2.68Å
660	E	25.1	Very low	23.9	Very low	173 Å²	173	138.3 Å²	138.3	81%	0.808	76%	0.758	S	S	*	*			trans	-123.5	102.7	166.8	-80.6	-170.6	158.4	0	0	109.2	A662	E660-A662 PolarHBondContact O-N 2.97Å
661	K	21	Very low	24.1	Very low	224 Å²	224	134.1 Å²	134.1	97%	0.974	75%	0.753	S	S	*	*			trans	-61	94	148.3	-73.1	177.2	176.4	176.7	0	106.9
662	A	22.6	Very low	24.2	Very low	70 Å²	70	135.4 Å²	135.4	58%	0.579	76%	0.764	S	S	*	*			trans	-149.3	123.8	164.9	0	0	0	0	0	110.1	E660	E660-A662 PolarHBondContact O-N 2.97Å
663	S	22.2	Very low	24.3	Very low	119 Å²	119	137 Å²	137	83%	0.832	77%	0.769	S	S	*	*			trans	-50.9	129.8	176.4	48.1	0	0	0	0	114.2
664	I	24.4	Very low	24.2	Very low	156 Å²	156	141.7 Å²	141.7	80%	0.8	78%	0.781	S	S	*	*			trans	-139.3	93.6	160.5	-53.5	178.2	0	0	0	105.1
665	S	22.5	Very low	24.3	Very low	109 Å²	109	142.5 Å²	142.5	76%	0.762	79%	0.786	S	S	*	*				58.7	126.4	84.7	-139.9	0	0	0	0	113.5	T667	S665-T667 PolarHBondContact O-N 2.93Å
666	S	24.4	Very low	24.2	Very low	111 Å²	111	145.4 Å²	145.4	78%	0.776	79%	0.792	S	S	*	*	S	Bend	trans	-77.3	106	-162.9	49.2	0	0	0	0	113.7
667	T	27.2	Very low	24.2	Very low	138 Å²	138	142 Å²	142	85%	0.847	79%	0.789	S	S	*	*			trans	-159	75.4	153.3	33.7	0	0	0	0	109.3	S665 S669	S665-T667 PolarHBondContact O-N 2.93Å; T667-S669 PolarHBondContact O-N 3.5Å
668	L	27	Very low	24.4	Very low	161 Å²	161	139.1 Å²	139.1	84%	0.843	79%	0.792	S	S	*	*			trans	-85.1	86	172.7	-143.4	142.4	0	0	0	107.8	I670	L668-I670 HydrophobicContact CD2-CG1 3.8Å; L668-I670 PolarHBondContact O-N 3.15Å
669	S	25.1	Very low	24.4	Very low	98 Å²	98	142.4 Å²	142.4	69%	0.685	79%	0.794	S	S	*	*			trans	-79.8	100.8	166.9	56.9	0	0	0	0	108.3	T667 N671	T667-S669 PolarHBondContact O-N 3.5Å; S669-N671 PolarHBondContact O-N 3.03Å
670	I	26.7	Very low	24.6	Very low	132 Å²	132	142.6 Å²	142.6	68%	0.677	79%	0.794	S	S	*	*			trans	-62.7	100.2	171.7	-61.9	169.5	0	0	0	107.6	L668 T672	L668-I670 HydrophobicContact CD2-CG1 3.8Å; L668-I670 PolarHBondContact O-N 3.15Å; I670-T672 HydrophobicContact CG2-CG2 4.33Å; I670-T672 PolarHBondContact O-N 2.91Å; I670-T672 VanDerWaalsContact O-N 3.1Å
671	N	27.1	Very low	24.6	Very low	147 Å²	147	137.9 Å²	137.9	79%	0.786	79%	0.792	S	S	*	*			trans	-75.1	97.1	164.8	-78.4	-10.9	0	0	0	107.5	S669 V673	S669-N671 PolarHBondContact O-N 3.03Å; N671-V673 PolarHBondContact O-N 2.87Å
672	T	26.8	Very low	24.6	Very low	121 Å²	121	135 Å²	135	74%	0.742	79%	0.788	S	S	*	*			trans	-55.6	123.4	168.5	34.1	0	0	0	0	110.1	I670 K674	I670-T672 HydrophobicContact CG2-CG2 4.33Å; I670-T672 PolarHBondContact O-N 2.91Å; I670-T672 VanDerWaalsContact O-N 3.1Å; T672-K674 PolarHBondContact O-N 3.24Å; T672-K674 VanDerWaalsContact O-N 3.17Å
673	V	26.8	Very low	24.7	Very low	133 Å²	133	135 Å²	135	81%	0.806	79%	0.794	S	S	*	*			trans	-60.9	112.1	170.5	174.3	0	0	0	0	108.3	N671 V675	N671-V673 PolarHBondContact O-N 2.87Å; V673-V675 PolarHBondContact O-N 2.84Å
674	K	22.4	Very low	24.8	Very low	195 Å²	195	138.6 Å²	138.6	85%	0.848	80%	0.795	S	S	*	*			trans	-70.6	106.9	168.8	-103.1	-178.8	174.9	178.5	0	108.5	T672 Q676	T672-K674 PolarHBondContact O-N 3.24Å; T672-K674 VanDerWaalsContact O-N 3.17Å; K674-Q676 PolarHBondContact O-N 3.34Å
675	V	24.5	Very low	24.7	Very low	130 Å²	130	137.9 Å²	137.9	79%	0.788	79%	0.793	S	S	*	*			trans	-73.3	113.7	162	179.4	0	0	0	0	107.1	V673	V673-V675 PolarHBondContact O-N 2.84Å
676	Q	22.3	Very low	24.9	Very low	171 Å²	171	142.4 Å²	142.4	80%	0.799	80%	0.799	S	S	*	*			trans	-80.5	133.8	169.5	-86.6	174.5	-13.9	0	0	109.4	K674	K674-Q676 PolarHBondContact O-N 3.34Å
677	P	23.3	Very low	24.9	Very low	117 Å²	117	145.5 Å²	145.5	76%	0.76	80%	0.801	S	S	*	*			trans	-76.1	137.8	177.8	30.3	-31.4	0	0	0	110.8	E679	P677-E679 PolarHBondContact O-N 3.45Å
678	V	27.2	Very low	24.7	Very low	139 Å²	139	146 Å²	146	84%	0.842	80%	0.798	S	S	*	*			trans	-71.7	115.7	171.6	175.7	0	0	0	0	108.1	L680	V678-L680 PolarHBondContact O-N 3.39Å
679	E	24.1	Very low	24.7	Very low	187 Å²	187	143.2 Å²	143.2	87%	0.874	79%	0.79	S	S	*	*			trans	-67.7	115.2	173.1	-71.7	-172.2	158.1	0	0	109.8	P677 G681	P677-E679 PolarHBondContact O-N 3.45Å; E679-G681 PolarHBondContact O-N 3.43Å
680	L	23.9	Very low	24.7	Very low	163 Å²	163	145.2 Å²	145.2	85%	0.853	79%	0.792	S	S	*	*			trans	-76.2	97.7	172.7	-159.6	81.8	0	0	0	107.7	V678 D682	V678-L680 PolarHBondContact O-N 3.39Å; L680-D682 PolarHBondContact O-N 3.05Å
681	G	25.5	Very low	24.6	Very low	74 Å²	74	148 Å²	148	76%	0.763	80%	0.796	S	S	*	*			trans	-68.3	107.4	174.2	0	0	0	0	0	111.4	E679	E679-G681 PolarHBondContact O-N 3.43Å
682	D	21.8	Very low	24.9	Very low	165 Å²	165	151 Å²	151	88%	0.882	80%	0.802	S	S	*	*			trans	-52.4	129.7	163.8	-79.7	-43.8	0	0	0	111.5	L680	L680-D682 PolarHBondContact O-N 3.05Å
683	G	24.2	Very low	24.8	Very low	69 Å²	69	152.2 Å²	152.2	71%	0.711	80%	0.804	S	S	*	*			trans	-175.9	39.4	-175.2	0	0	0	0	0	120.5
684	K	23.8	Very low	24.6	Very low	195 Å²	195	154.3 Å²	154.3	85%	0.848	81%	0.805	S	S	*	*			trans	64.7	116.8	150.9	-68.5	177.6	175.9	174.2	0	120.1
685	N	21.5	Very low	24.8	Very low	141 Å²	141	151.3 Å²	151.3	75%	0.754	80%	0.802	S	S	*	*			trans	50.2	105.3	134	-66.3	-7	0	0	0	118.8
686	F	27.7	Very low	25.2	Very low	203 Å²	203	157.5 Å²	157.5	89%	0.89	83%	0.826	S	S	*	*			trans	-155.5	107	130.3	-100.4	-76.7	0	0	0	110.1
687	H	24.6	Very low	25.3	Very low	176 Å²	176	156.8 Å²	156.8	82%	0.815	83%	0.827	S	S	*	*			trans	31.1	118.4	147.3	-75.8	-80.8	0	0	0	121.3
688	D	21.6	Very low	25.4	Very low	149 Å²	149	158.9 Å²	158.9	80%	0.797	83%	0.831	S	S	*	*			trans	-35.5	156	139.7	-75.8	-37.7	0	0	0	112.9
689	P	27.8	Very low	25.3	Very low	103 Å²	103	160 Å²	160	67%	0.669	83%	0.83	S	S	*	*			cis	-152.8	169.3	38.5	32	-6.7	0	0	0	119.6
690	L	24.6	Very low	25.4	Very low	140 Å²	140	158.4 Å²	158.4	73%	0.733	83%	0.828	S	S	*	*			trans	68.3	121.5	138.6	-89.3	104.2	0	0	0	122.5
691	Y	25	Very low	25.5	Very low	190 Å²	190	158.1 Å²	158.1	75%	0.745	83%	0.826	S	S	*	*			trans	66.4	115.9	134.3	-80.8	-114.6	0	0	0	120.4
692	F	33.8	Very low	25.5	Very low	211 Å²	211	163.7 Å²	163.7	93%	0.925	83%	0.83	S	S	*	*				-150.2	93.2	129.3	-108.7	-81.8	0	0	0	108.8
693	N	23.7	Very low	25.7	Very low	145 Å²	145	163.6 Å²	163.6	78%	0.775	83%	0.826	S	S	*	*			trans	-114.4	147.9	155.4	-113.4	-10.2	0	0	0	106.3
694	E	22.7	Very low	25.9	Very low	177 Å²	177	170.9 Å²	170.9	83%	0.827	84%	0.835	S	S	*	*			trans	90.4	129.2	166.1	-75.4	-174.8	165.3	0	0	121
695	V	28	Very low	26	Very low	132 Å²	132	168.9 Å²	168.9	80%	0.8	83%	0.834	S	S	*	*			trans	89.9	88.7	153.3	-153.8	0	0	0	0	119.2
696	M	31.3	Very low	26.4	Very low	260 Å²	260	171.5 Å²	171.5	100%	1.281	84%	0.842	S	S	*	*				-137.3	0	98.4	-89	-170.2	-176.2	0	0	108.4

Retrieved 696 of 696 residues in 1197.2 ms (Link to these results)

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