A0A5K4ESX1_SCHMA Loading...

MUTSd domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4ESX1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 519 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.5	Very low	35.6	Very low	184 Å²	184	105.4 Å²	105.4	91%	0.906	52%	0.515	S	S	*	.				0	-39.7	0	-157.6	171.9	152.8	0	0	113.4	K5	M1-K5 PolarHBondContact O-N 2.79Å
2	I	30.4	Very low	35.5	Very low	136 Å²	136	101.9 Å²	101.9	70%	0.697	51%	0.508	S	S	*	.	H	α-helix	trans	-73.9	-38	174.2	-63.5	167.8	0	0	0	112	K5 L6	I2-K5 WeakPolarHBondContact O-CB 3.47Å; I2-K5 PolarHBondContact O-N 2.98Å; I2-L6 HydrophobicContact CG2-CD1 4.18Å; I2-L6 PolarHBondContact O-N 3.46Å
3	M	33.2	Very low	35.5	Very low	62 Å²	62	102.5 Å²	102.5	31%	0.305	51%	0.512	S	S	.	.	H	α-helix	trans	-66.9	-40.5	176.7	-114.7	-176.9	-73.9	0	0	113.6	K5 L6 I7 V431 A455 F456	M3-K5 VanDerWaalsContact C-N 3.28Å; M3-K5 PolarHBondContact O-N 3.39Å; M3-L6 WeakPolarHBondContact O-CB 3.5Å; M3-L6 PolarHBondContact O-N 3.37Å; M3-I7 WeakPolarHBondContact O-CG1 2.96Å; M3-I7 PolarHBondContact O-N 3.33Å; M3-V431 HydrophobicContact SD-CG2 4.38Å; M3-A455 VanDerWaalsContact CE-O 3.28Å; M3-A455 WeakPolarHBondContact CE-O 3.36Å; M3-F456 HydrophobicContact CB-CB 4.46Å; M3-F456 HydrophobicContact CE-CB 4.41Å; M3-F456 HydrophobicContact CE-CD1 4.24Å; M3-F456 HydrophobicContact CG-CD1 4.48Å; M3-F456 HydrophobicContact SD-CB 4.15Å; M3-F456 HydrophobicContact SD-CD1 3.23Å; M3-F456 WeakPolarHBondContact SD-CD1 3.27Å; M3-F456 HydrophobicContact SD-CE1 3.81Å; M3-F456 HydrophobicContact SD-CG 3.95Å
4	N	35.8	Very low	35.5	Very low	75 Å²	75	99.9 Å²	99.9	40%	0.401	51%	0.508	S	S	.	.	H	α-helix	trans	-62.5	-36.1	172	-72.3	7.2	0	0	0	111.6	L6 D8	N4-L6 VanDerWaalsContact C-N 3.33Å; N4-L6 PolarHBondContact O-N 3.41Å; N4-D8 VanDerWaalsContact O-CB 3.25Å; N4-D8 WeakPolarHBondContact O-CB 3.28Å; N4-D8 VanDerWaalsContact O-CG 3.29Å; N4-D8 PolarHBondContact O-N 3.13Å
5	K	36.9	Very low	35.5	Very low	134 Å²	134	104.9 Å²	104.9	58%	0.583	52%	0.518	S	S	*	.	H	α-helix	trans	-66.2	-31.6	172.2	-78.2	-175.1	175.3	-173.8	0	113.2	M1 I2 M3 H9	M1-K5 PolarHBondContact O-N 2.79Å; I2-K5 WeakPolarHBondContact O-CB 3.47Å; I2-K5 PolarHBondContact O-N 2.98Å; M3-K5 VanDerWaalsContact C-N 3.28Å; M3-K5 PolarHBondContact O-N 3.39Å; K5-H9 VanDerWaalsContact O-CB 3.29Å; K5-H9 WeakPolarHBondContact O-CB 3.33Å; K5-H9 PolarHBondContact O-N 2.87Å
6	L	33.8	Very low	35.6	Very low	87 Å²	87	101.9 Å²	101.9	46%	0.455	51%	0.51	S	S	.	.	H	α-helix	trans	-74.8	-41.4	175.9	-88.3	155	0	0	0	112.3	I2 M3 N4 H9 M10	I2-L6 HydrophobicContact CG2-CD1 4.18Å; I2-L6 PolarHBondContact O-N 3.46Å; M3-L6 WeakPolarHBondContact O-CB 3.5Å; M3-L6 PolarHBondContact O-N 3.37Å; N4-L6 VanDerWaalsContact C-N 3.33Å; N4-L6 PolarHBondContact O-N 3.41Å; L6-H9 CarbonylContact O-C 3.57Å; L6-H9 WeakPolarHBondContact O-CB 3.38Å; L6-H9 PolarHBondContact O-N 2.93Å; L6-M10 WeakPolarHBondContact O-CG 3.04Å; L6-M10 PolarHBondContact O-N 2.92Å
7	I	37.7	Very low	35.5	Very low	42 Å²	42	104.9 Å²	104.9	22%	0.215	52%	0.519	C	S	.	.	H	α-helix	trans	-65.9	-43.2	174.1	-65.5	167.8	0	0	0	109.9	M3 H9 M10 F11 F456	M3-I7 WeakPolarHBondContact O-CG1 2.96Å; M3-I7 PolarHBondContact O-N 3.33Å; I7-H9 VanDerWaalsContact C-N 3.3Å; I7-H9 PolarHBondContact O-N 3.3Å; I7-M10 PolarHBondContact O-N 2.94Å; I7-F11 HydrophobicContact CG2-CD2 3.89Å; I7-F11 HydrophobicContact CG2-CE2 4.11Å; I7-F11 WeakPolarHBondContact O-CD2 3.25Å; I7-F11 PolarHBondContact O-N 3.12Å; I7-F456 HydrophobicContact CD1-CD2 4.06Å; I7-F456 HydrophobicContact CD1-CE2 3.51Å; I7-F456 HydrophobicContact CD1-CZ 3.82Å
8	D	37.9	Very low	35.7	Very low	107 Å²	107	107.9 Å²	107.9	57%	0.572	53%	0.529	S	S	*	.	H	α-helix	trans	-61.7	-38	170.9	-78.3	-28.8	0	0	0	111.3	N4 C12	N4-D8 VanDerWaalsContact O-CB 3.25Å; N4-D8 WeakPolarHBondContact O-CB 3.28Å; N4-D8 VanDerWaalsContact O-CG 3.29Å; N4-D8 PolarHBondContact O-N 3.13Å; D8-C12 WeakPolarHBondContact O-CA 3.39Å; D8-C12 WeakPolarHBondContact O-CB 3.28Å; D8-C12 PolarHBondContact O-N 3.37Å
9	H	36.7	Very low	35.7	Very low	127 Å²	127	107.5 Å²	107.5	59%	0.588	53%	0.526	S	S	*	.	H	α-helix	trans	-66.5	-37.8	174.6	-116.3	-84.3	0	0	0	112.9	K5 L6 I7 C12 I13	K5-H9 VanDerWaalsContact O-CB 3.29Å; K5-H9 WeakPolarHBondContact O-CB 3.33Å; K5-H9 PolarHBondContact O-N 2.87Å; L6-H9 CarbonylContact O-C 3.57Å; L6-H9 WeakPolarHBondContact O-CB 3.38Å; L6-H9 PolarHBondContact O-N 2.93Å; I7-H9 VanDerWaalsContact C-N 3.3Å; I7-H9 PolarHBondContact O-N 3.3Å; H9-C12 CarbonylContact O-C 3.57Å; H9-C12 WeakPolarHBondContact O-CB 3.47Å; H9-C12 PolarHBondContact O-N 3.37Å; H9-I13 VanDerWaalsContact O-CG1 3.23Å; H9-I13 WeakPolarHBondContact O-CG1 3.42Å; H9-I13 PolarHBondContact O-N 3.33Å
10	M	35.7	Very low	35.5	Very low	68 Å²	68	111.2 Å²	111.2	34%	0.335	53%	0.534	S	S	.	.	H	α-helix	trans	-73.2	-42.6	178.7	-77.1	175.8	60.4	0	0	112.3	L6 I7 C12 I13 S14 P429	L6-M10 WeakPolarHBondContact O-CG 3.04Å; L6-M10 PolarHBondContact O-N 2.92Å; I7-M10 PolarHBondContact O-N 2.94Å; M10-C12 VanDerWaalsContact C-N 3.27Å; M10-C12 PolarHBondContact O-N 3.4Å; M10-I13 PolarHBondContact O-N 2.85Å; M10-I13 VanDerWaalsContact O-N 3.13Å; M10-S14 PolarHBondContact O-N 3.04Å; M10-S14 VanDerWaalsContact O-N 3.1Å; M10-P429 HydrophobicContact CE-CB 3.6Å; M10-P429 HydrophobicContact CE-CG 3.62Å
11	F	35.4	Very low	35.4	Very low	137 Å²	137	110 Å²	110	60%	0.601	53%	0.53	S	S	*	.	H	α-helix	trans	-65.4	-32.8	168.5	-86	-78.5	0	0	0	111.3	I7 R15	I7-F11 HydrophobicContact CG2-CD2 3.89Å; I7-F11 HydrophobicContact CG2-CE2 4.11Å; I7-F11 WeakPolarHBondContact O-CD2 3.25Å; I7-F11 PolarHBondContact O-N 3.12Å; F11-R15 WeakPolarHBondContact O-CB 3.21Å; F11-R15 PolarHBondContact O-N 3.22Å
12	C	35.3	Very low	35.5	Very low	64 Å²	64	108.2 Å²	108.2	43%	0.432	52%	0.517	S	S	.	.	H	α-helix	trans	-67.1	-31.8	168.7	-99.7	0	0	0	0	112.4	D8 H9 M10 C16	D8-C12 WeakPolarHBondContact O-CA 3.39Å; D8-C12 WeakPolarHBondContact O-CB 3.28Å; D8-C12 PolarHBondContact O-N 3.37Å; H9-C12 CarbonylContact O-C 3.57Å; H9-C12 WeakPolarHBondContact O-CB 3.47Å; H9-C12 PolarHBondContact O-N 3.37Å; M10-C12 VanDerWaalsContact C-N 3.27Å; M10-C12 PolarHBondContact O-N 3.4Å; C12-C16 VanDerWaalsContact O-CA 3.24Å; C12-C16 WeakPolarHBondContact O-CA 3.45Å; C12-C16 WeakPolarHBondContact O-CB 3.46Å; C12-C16 PolarHBondContact O-N 3.48Å; C12-C16 PolarHBondContact O-SG 3.49Å
13	I	35	Very low	35.6	Very low	109 Å²	109	107.3 Å²	107.3	56%	0.559	51%	0.51	S	S	*	.	H	α-helix	trans	-73.7	-37.9	177.1	-71.5	159.6	0	0	0	110.2	H9 M10 K17	H9-I13 VanDerWaalsContact O-CG1 3.23Å; H9-I13 WeakPolarHBondContact O-CG1 3.42Å; H9-I13 PolarHBondContact O-N 3.33Å; M10-I13 PolarHBondContact O-N 2.85Å; M10-I13 VanDerWaalsContact O-N 3.13Å; I13-K17 VanDerWaalsContact O-CB 3.29Å; I13-K17 WeakPolarHBondContact O-CB 3.42Å; I13-K17 PolarHBondContact O-N 3.16Å
14	S	35.1	Very low	35.6	Very low	66 Å²	66	105.9 Å²	105.9	46%	0.462	51%	0.505	S	S	.	.	H	α-helix	trans	-75.1	-37	175.5	100	0	0	0	0	112.7	M10 K18	M10-S14 PolarHBondContact O-N 3.04Å; M10-S14 VanDerWaalsContact O-N 3.1Å; S14-K18 PolarHBondContact O-N 3.06Å
15	R	36.4	Very low	35.3	Very low	176 Å²	176	111.4 Å²	111.4	66%	0.664	52%	0.52	S	S	*	.	H	α-helix	trans	-68.5	-46.7	169.2	-90.5	-176.5	168	172.9	-2.1	111.1	F11 K17 K18 Q19	F11-R15 WeakPolarHBondContact O-CB 3.21Å; F11-R15 PolarHBondContact O-N 3.22Å; R15-K17 VanDerWaalsContact C-N 3.28Å; R15-K17 PolarHBondContact O-N 3.2Å; R15-K18 CarbonylContact O-C 3.59Å; R15-K18 PolarHBondContact O-N 2.92Å; R15-K18 VanDerWaalsContact O-N 3.13Å; R15-Q19 WeakPolarHBondContact O-CA 3.18Å; R15-Q19 WeakPolarHBondContact O-CB 3.47Å; R15-Q19 PolarHBondContact O-N 3.45Å
16	C	36.8	Very low	34.9	Very low	57 Å²	57	112.5 Å²	112.5	39%	0.385	53%	0.527	S	S	.	.	H	α-helix	trans	-61.5	-35.5	174.5	-75.7	0	0	0	0	110.4	C12 Q19 W20	C12-C16 VanDerWaalsContact O-CA 3.24Å; C12-C16 WeakPolarHBondContact O-CA 3.45Å; C12-C16 WeakPolarHBondContact O-CB 3.46Å; C12-C16 PolarHBondContact O-N 3.48Å; C12-C16 PolarHBondContact O-SG 3.49Å; C16-Q19 CarbonylContact O-C 3.55Å; C16-Q19 PolarHBondContact O-N 2.86Å; C16-W20 VanDerWaalsContact O-CA 3.3Å; C16-W20 WeakPolarHBondContact O-CA 3.36Å; C16-W20 WeakPolarHBondContact O-CB 3.4Å; C16-W20 PolarHBondContact O-N 3Å
17	K	34.5	Very low	34.7	Very low	152 Å²	152	114.5 Å²	114.5	66%	0.661	54%	0.538	S	S	*	.	H	α-helix	trans	-66.1	-44.2	172.3	-163.2	170.7	-176.6	176	0	111.7	I13 R15 Q19 D21	I13-K17 VanDerWaalsContact O-CB 3.29Å; I13-K17 WeakPolarHBondContact O-CB 3.42Å; I13-K17 PolarHBondContact O-N 3.16Å; R15-K17 VanDerWaalsContact C-N 3.28Å; R15-K17 PolarHBondContact O-N 3.2Å; K17-Q19 VanDerWaalsContact C-N 3.33Å; K17-Q19 PolarHBondContact O-N 3.42Å; K17-D21 VanDerWaalsContact O-CB 3.3Å; K17-D21 WeakPolarHBondContact O-CB 3.18Å; K17-D21 VanDerWaalsContact O-CG 3.32Å; K17-D21 PolarHBondContact O-N 3.09Å
18	K	39.2	Very low	34.3	Very low	159 Å²	159	120.1 Å²	120.1	69%	0.691	56%	0.56	S	S	*	*	H	α-helix	trans	-68.2	-27.4	173.3	-82.6	-179.5	174.9	174.6	0	114.4	S14 R15 K22	S14-K18 PolarHBondContact O-N 3.06Å; R15-K18 CarbonylContact O-C 3.59Å; R15-K18 PolarHBondContact O-N 2.92Å; R15-K18 VanDerWaalsContact O-N 3.13Å; K18-K22 VanDerWaalsContact O-CB 3.29Å; K18-K22 WeakPolarHBondContact O-CB 3.21Å; K18-K22 WeakPolarHBondContact O-CG 3.43Å; K18-K22 PolarHBondContact O-N 3.45Å
19	Q	35.3	Very low	33.5	Very low	101 Å²	101	118.6 Å²	118.6	47%	0.472	56%	0.557	S	S	.	*	H	α-helix	trans	-92.5	-27.1	-176.3	-163.7	166	1.2	0	0	110.2	R15 C16 K17 Q23	R15-Q19 WeakPolarHBondContact O-CA 3.18Å; R15-Q19 WeakPolarHBondContact O-CB 3.47Å; R15-Q19 PolarHBondContact O-N 3.45Å; C16-Q19 CarbonylContact O-C 3.55Å; C16-Q19 PolarHBondContact O-N 2.86Å; K17-Q19 VanDerWaalsContact C-N 3.33Å; K17-Q19 PolarHBondContact O-N 3.42Å; Q19-Q23 WeakPolarHBondContact O-CA 3.33Å; Q19-Q23 WeakPolarHBondContact O-CB 3.41Å; Q19-Q23 WeakPolarHBondContact O-CG 3.41Å; Q19-Q23 PolarHBondContact O-N 3.24Å
20	W	31.9	Very low	33	Very low	181 Å²	181	122.2 Å²	122.2	69%	0.686	58%	0.576	S	S	*	*	H	α-helix	trans	-74.4	-38	164.8	-160.7	-58.9	0	0	0	109	C16 Q23 T24	C16-W20 VanDerWaalsContact O-CA 3.3Å; C16-W20 WeakPolarHBondContact O-CA 3.36Å; C16-W20 WeakPolarHBondContact O-CB 3.4Å; C16-W20 PolarHBondContact O-N 3Å; W20-Q23 PolarHBondContact O-N 2.85Å; W20-T24 HydrophobicContact CG-CG2 4.46Å; W20-T24 WeakPolarHBondContact O-CA 3.44Å; W20-T24 WeakPolarHBondContact O-CB 3.25Å; W20-T24 WeakPolarHBondContact O-CG2 3.4Å; W20-T24 PolarHBondContact O-N 3.27Å; W20-T24 PolarHBondContact O-OG1 3.5Å
21	D	33.2	Very low	32.7	Very low	87 Å²	87	121.1 Å²	121.1	47%	0.465	58%	0.575	S	S	.	*	H	α-helix	trans	-68.2	-35.2	168.8	-78.8	-24.9	0	0	0	112.2	K17 T24 R25	K17-D21 VanDerWaalsContact O-CB 3.3Å; K17-D21 WeakPolarHBondContact O-CB 3.18Å; K17-D21 VanDerWaalsContact O-CG 3.32Å; K17-D21 PolarHBondContact O-N 3.09Å; D21-T24 WeakPolarHBondContact CA-OG1 3.33Å; D21-T24 PolarHBondContact O-OG1 3.46Å; D21-R25 WeakPolarHBondContact O-CB 3.43Å; D21-R25 WeakPolarHBondContact O-CG 3.29Å; D21-R25 PolarHBondContact O-N 2.99Å
22	K	39.4	Very low	32.6	Very low	146 Å²	146	118.5 Å²	118.5	64%	0.635	57%	0.574	S	S	*	*	H	α-helix	trans	-74.5	-37.2	172.1	-90.1	-178.2	170.6	-177.3	0	113.2	K18 H26	K18-K22 VanDerWaalsContact O-CB 3.29Å; K18-K22 WeakPolarHBondContact O-CB 3.21Å; K18-K22 WeakPolarHBondContact O-CG 3.43Å; K18-K22 PolarHBondContact O-N 3.45Å; K22-H26 PolarHBondContact O-CD2 3.02Å
23	Q	33.1	Very low	32.7	Very low	117 Å²	117	118 Å²	118	55%	0.547	57%	0.571	S	S	.	*	H	α-helix	trans	-76.8	-32.4	177.3	-77.2	173.9	-22.1	0	0	110.9	Q19 W20 H26 L27	Q19-Q23 WeakPolarHBondContact O-CA 3.33Å; Q19-Q23 WeakPolarHBondContact O-CB 3.41Å; Q19-Q23 WeakPolarHBondContact O-CG 3.41Å; Q19-Q23 PolarHBondContact O-N 3.24Å; W20-Q23 PolarHBondContact O-N 2.85Å; Q23-H26 PolarHBondContact O-N 2.78Å; Q23-H26 VanDerWaalsContact O-N 3.15Å; Q23-L27 WeakPolarHBondContact O-CG 3.38Å; Q23-L27 PolarHBondContact O-N 3.39Å
24	T	32.5	Very low	33.2	Very low	31 Å²	31	117 Å²	117	19%	0.19	56%	0.563	C	S	.	*	H	α-helix	trans	-77.7	-22.7	172.6	57.9	0	0	0	0	113.6	W20 D21 H26 L27 F28	W20-T24 HydrophobicContact CG-CG2 4.46Å; W20-T24 WeakPolarHBondContact O-CA 3.44Å; W20-T24 WeakPolarHBondContact O-CB 3.25Å; W20-T24 WeakPolarHBondContact O-CG2 3.4Å; W20-T24 PolarHBondContact O-N 3.27Å; W20-T24 PolarHBondContact O-OG1 3.5Å; D21-T24 WeakPolarHBondContact CA-OG1 3.33Å; D21-T24 PolarHBondContact O-OG1 3.46Å; T24-H26 PolarHBondContact O-N 3.25Å; T24-L27 HydrophobicContact CG2-CD1 3.92Å; T24-L27 PolarHBondContact O-N 3Å; T24-L27 VanDerWaalsContact O-N 3.16Å; T24-F28 PolarHBondContact O-N 3.31Å
25	R	30.1	Very low	34.1	Very low	191 Å²	191	116.4 Å²	116.4	72%	0.721	56%	0.558	S	S	*	*	H	α-helix	trans	-62.1	-19.9	163.2	-83.1	175.1	-162.4	-160	4.1	113.4	D21 F28	D21-R25 WeakPolarHBondContact O-CB 3.43Å; D21-R25 WeakPolarHBondContact O-CG 3.29Å; D21-R25 PolarHBondContact O-N 2.99Å; R25-F28 VanDerWaalsContact O-O 3.08Å
26	H	29	Very low	35.7	Very low	158 Å²	158	110.9 Å²	110.9	73%	0.731	54%	0.54	S	S	*	.	H	α-helix	trans	-98.7	-20.6	171.1	-63.1	-59.8	0	0	0	113.1	K22 Q23 T24	K22-H26 PolarHBondContact O-CD2 3.02Å; Q23-H26 PolarHBondContact O-N 2.78Å; Q23-H26 VanDerWaalsContact O-N 3.15Å; T24-H26 PolarHBondContact O-N 3.25Å
27	L	28.8	Very low	37.9	Very low	129 Å²	129	109.1 Å²	109.1	68%	0.675	53%	0.527	S	S	*	.	H	α-helix	trans	-79.9	-23.3	171.4	-67.2	158	0	0	0	112.9	Q23 T24 P29	Q23-L27 WeakPolarHBondContact O-CG 3.38Å; Q23-L27 PolarHBondContact O-N 3.39Å; T24-L27 HydrophobicContact CG2-CD1 3.92Å; T24-L27 PolarHBondContact O-N 3Å; T24-L27 VanDerWaalsContact O-N 3.16Å; L27-P29 WeakPolarHBondContact O-CD 3.45Å
28	F	28.4	Very low	40.4	Very low	159 Å²	159	103.1 Å²	103.1	70%	0.697	50%	0.5	S	S	*	.	S	Bend	trans	-111	82.8	160.5	-67.3	-80.5	0	0	0	107.2	T24 R25 M30	T24-F28 PolarHBondContact O-N 3.31Å; R25-F28 VanDerWaalsContact O-O 3.08Å; F28-M30 PolarHBondContact O-N 3.49Å
29	P	22.9	Very low	42.8	Very low	76 Å²	76	95.7 Å²	95.7	49%	0.494	47%	0.468	S	S	.	.			trans	-56.7	123.6	167.4	30.1	-33.6	0	0	0	105.4	L27 S31	L27-P29 WeakPolarHBondContact O-CD 3.45Å; P29-S31 VanDerWaalsContact CB-OG 3.24Å; P29-S31 WeakPolarHBondContact CB-OG 3.24Å; P29-S31 VanDerWaalsContact CG-OG 3.32Å; P29-S31 WeakPolarHBondContact CG-OG 3.36Å; P29-S31 PolarHBondContact O-N 3.39Å
30	M	24.8	Very low	45.5	Very low	203 Å²	203	90.9 Å²	90.9	100%	1	45%	0.445	S	S	*	.			trans	-65	66.3	154.3	-77.7	-165.6	164.8	0	0	106.7	F28	F28-M30 PolarHBondContact O-N 3.49Å
31	S	29.2	Very low	48.3	Very low	44 Å²	44	82.3 Å²	82.3	31%	0.308	41%	0.413	S	S	.	.	S	Bend	trans	-125	105.9	168.6	63.6	0	0	0	0	104.7	P29 C33	P29-S31 VanDerWaalsContact CB-OG 3.24Å; P29-S31 WeakPolarHBondContact CB-OG 3.24Å; P29-S31 VanDerWaalsContact CG-OG 3.32Å; P29-S31 WeakPolarHBondContact CG-OG 3.36Å; P29-S31 PolarHBondContact O-N 3.39Å; S31-C33 WeakPolarHBondContact O-CB 3.13Å; S31-C33 PolarHBondContact O-N 3.08Å
32	S	33.9	Very low	51	Low	82 Å²	82	78.6 Å²	78.6	57%	0.573	39%	0.394	S	S	*	.			trans	20.4	36.2	132.8	64.9	0	0	0	0	120.1
33	C	36.7	Very low	53.4	Low	54 Å²	54	72.7 Å²	72.7	37%	0.365	37%	0.369	S	S	.	.			trans	-125.8	93.6	-177	-125.7	0	0	0	0	107.3	S31 R84	S31-C33 WeakPolarHBondContact O-CB 3.13Å; S31-C33 PolarHBondContact O-N 3.08Å; C33-R84 PolarHBondContact SG-NH1 3.09Å; C33-R84 VanDerWaalsContact SG-NH1 3.41Å
34	E	46.7	Very low	56	Low	87 Å²	87	68.8 Å²	68.8	41%	0.407	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-53.9	137.4	177.6	-73.9	-179.6	163.8	0	0	110.6	R84 R257	E34-R84 VanDerWaalsContact O-CD 3.25Å; E34-R84 WeakPolarHBondContact O-CD 3.39Å; E34-R84 PolarHBondContact O-NH1 2.64Å; E34-R257 IonicContact OE1-CZ 3.29Å; E34-R257 IonicContact OE1-NH1 2.83Å; E34-R257 PolarHBondContact OE1-NH1 3.34Å
35	P	52.7	Low	58.5	Low	54 Å²	54	76 Å²	76	35%	0.351	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-71.8	154.5	-174.1	17.1	-15.1	0	0	0	112.7	L37 Y56	P35-L37 PolarHBondContact O-N 3.4Å; P35-Y56 HydrophobicContact CG-CD2 4.16Å; P35-Y56 HydrophobicContact CG-CG 3.92Å
36	Q	71.6	Confident	60.9	Low	60 Å²	60	74.7 Å²	74.7	28%	0.28	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-66.8	131.4	175.3	-83.9	-178.9	-33.9	0	0	110.7	P55 R84 V86	Q36-P55 WeakPolarHBondContact O-CD 3.16Å; Q36-P55 WeakPolarHBondContact O-CG 3.23Å; Q36-R84 CarbonylContact C-O 3.51Å; Q36-R84 VanDerWaalsContact CA-O 3.24Å; Q36-R84 WeakPolarHBondContact CA-O 3.26Å; Q36-R84 HydrophobicContact CG-CB 4.12Å; Q36-V86 HydrophobicContact CB-CG2 4.31Å; Q36-V86 HydrophobicContact CG-CG2 4.33Å
37	L	81.7	Confident	63.7	Low	21 Å²	21	72 Å²	72	11%	0.11	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	142	172.7	-64.1	177.3	0	0	0	109.8	P35 L52 N54 N82 R84 L85 V86	P35-L37 PolarHBondContact O-N 3.4Å; L37-L52 HydrophobicContact CB-CD1 4.09Å; L37-N54 HydrophobicContact CD2-CB 3.59Å; L37-N82 HydrophobicContact CD1-CB 4.2Å; L37-N82 VanDerWaalsContact CD1-ND2 3.28Å; L37-N82 WeakPolarHBondContact CD1-ND2 3.35Å; L37-R84 PolarHBondContact N-O 2.97Å; L37-L85 HydrophobicContact CB-CD1 3.83Å; L37-V86 PolarHBondContact O-N 3.41Å
38	Y	88.4	Confident	66.5	Low	26 Å²	26	66 Å²	66	10%	0.102	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	116.7	176.9	-68.8	-90	0	0	0	110.6	L52 W53 P55 V86 L88 L170	Y38-L52 CarbonylContact O-C 3.57Å; Y38-L52 WeakPolarHBondContact O-CA 3.34Å; Y38-W53 AromaticContact CD2-CE3 3.62Å; Y38-W53 HydrophobicContact CD2-CE3 3.62Å; Y38-W53 AromaticContact CD2-CZ3 3.8Å; Y38-W53 HydrophobicContact CD2-CZ3 3.8Å; Y38-W53 HydrophobicContact CE2-CE3 4.33Å; Y38-W53 HydrophobicContact CE2-CZ3 4.04Å; Y38-W53 HydrophobicContact CG-CE3 4.24Å; Y38-W53 PolarHBondContact N-O 3.02Å; Y38-W53 PolarHBondContact O-N 2.8Å; Y38-P55 HydrophobicContact CD2-CG 3.79Å; Y38-P55 HydrophobicContact CE2-CG 3.79Å; Y38-V86 WeakPolarHBondContact CA-O 3.37Å; Y38-V86 HydrophobicContact CD1-CB 3.76Å; Y38-V86 HydrophobicContact CD1-CG1 3.96Å; Y38-V86 HydrophobicContact CD1-CG2 4.39Å; Y38-V86 HydrophobicContact CE1-CB 3.9Å; Y38-V86 HydrophobicContact CE1-CG1 3.95Å; Y38-V86 HydrophobicContact CE1-CG2 4.08Å; Y38-L88 HydrophobicContact CD1-CD1 4.39Å; Y38-L88 HydrophobicContact CD1-CD2 4.46Å; Y38-L170 HydrophobicContact CG-CD1 4.26Å
39	L	88.8	Confident	69.4	Low	2 Å²	2	58.4 Å²	58.4	1%	0.01	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	114.8	173.2	175.2	69.1	0	0	0	109.3	V41 L50 V51 L52 L79 L85 V86 I87 L88	L39-V41 HydrophobicContact CD1-CG2 4.26Å; L39-V41 HydrophobicContact CD2-CG2 3.87Å; L39-V41 HydrophobicContact CG-CG2 3.74Å; L39-L50 HydrophobicContact CD1-CB 4.09Å; L39-L50 HydrophobicContact CD1-CD1 3.84Å; L39-L50 HydrophobicContact CD1-CD2 4.47Å; L39-L50 HydrophobicContact CD1-CG 4.32Å; L39-V51 WeakPolarHBondContact CA-O 3.47Å; L39-L52 HydrophobicContact CB-CD1 4.06Å; L39-L52 HydrophobicContact CD1-CB 4.22Å; L39-L52 HydrophobicContact CD1-CD1 4.41Å; L39-L79 HydrophobicContact CD1-CD2 3.54Å; L39-L79 HydrophobicContact CD2-CB 3.9Å; L39-L79 HydrophobicContact CD2-CD1 3.79Å; L39-L79 HydrophobicContact CD2-CD2 3.51Å; L39-L79 HydrophobicContact CD2-CG 3.9Å; L39-L79 HydrophobicContact CG-CD2 4.16Å; L39-L85 HydrophobicContact CB-CD1 3.9Å; L39-L85 HydrophobicContact CB-CD2 4.26Å; L39-L85 HydrophobicContact CB-CG 4.21Å; L39-L85 HydrophobicContact CD2-CD2 4.07Å; L39-V86 PolarHBondContact N-O 3.35Å; L39-I87 HydrophobicContact CD2-CG1 4.31Å; L39-I87 CarbonylContact O-C 3.53Å; L39-I87 WeakPolarHBondContact O-CA 3.48Å; L39-L88 PolarHBondContact O-N 3.23Å
40	S	92.1	Very high	72.6	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	133.5	168.8	177.1	0	0	0	0	111.1	L50 V51 L88 Y122 A166	S40-L50 WeakPolarHBondContact O-CA 3.43Å; S40-L50 WeakPolarHBondContact O-CB 3.27Å; S40-V51 PolarHBondContact N-O 3.42Å; S40-V51 PolarHBondContact O-N 3.22Å; S40-L88 WeakPolarHBondContact CA-O 3.28Å; S40-Y122 WeakPolarHBondContact OG-CE1 3.35Å; S40-Y122 VanDerWaalsContact OG-CZ 3.29Å; S40-Y122 PolarHBondContact OG-OH 3.39Å; S40-A166 VanDerWaalsContact CB-O 3.23Å; S40-A166 WeakPolarHBondContact CB-O 3.5Å; S40-A166 VanDerWaalsContact OG-C 3.32Å; S40-A166 VanDerWaalsContact OG-CA 3.29Å; S40-A166 WeakPolarHBondContact OG-CA 3.48Å; S40-A166 PolarHBondContact OG-O 3.46Å
41	V	89.9	Confident	75.8	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.012	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	128.7	-176.1	-171.7	0	0	0	0	111	L39 I43 I48 L50 L88 I89 I97 Y122	L39-V41 HydrophobicContact CD1-CG2 4.26Å; L39-V41 HydrophobicContact CD2-CG2 3.87Å; L39-V41 HydrophobicContact CG-CG2 3.74Å; V41-I43 HydrophobicContact CG1-CD1 4.44Å; V41-I43 HydrophobicContact CG1-CG1 4.11Å; V41-I48 HydrophobicContact CG1-CD1 3.61Å; V41-I48 HydrophobicContact CG1-CG1 3.8Å; V41-L50 HydrophobicContact CG2-CB 4.25Å; V41-L88 PolarHBondContact N-O 3.42Å; V41-I89 HydrophobicContact CB-CD1 4.48Å; V41-I97 HydrophobicContact CB-CD1 4.38Å; V41-I97 HydrophobicContact CG1-CD1 3.95Å; V41-Y122 WeakPolarHBondContact O-CE1 3.31Å
42	C	90.8	Very high	78.7	Confident	9 Å²	9	43.9 Å²	43.9	6%	0.061	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.4	172.8	-168.2	0	0	0	0	110.1	G49 Y122 L162 R165 A166	C42-G49 PolarHBondContact N-O 3.33Å; C42-G49 PolarHBondContact O-N 3.43Å; C42-Y122 HydrophobicContact CB-CD1 3.83Å; C42-Y122 HydrophobicContact CB-CE1 4.08Å; C42-L162 HydrophobicContact CB-CB 4.2Å; C42-L162 WeakPolarHBondContact CB-O 3.2Å; C42-R165 HydrophobicContact CB-CB 4.19Å; C42-A166 HydrophobicContact CB-CB 4.17Å
43	I	88.5	Confident	81.3	Confident	21 Å²	21	40.8 Å²	40.8	11%	0.108	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129.1	178.8	-58.7	176.4	0	0	0	108.9	V41 K47 I48 F68 F96 I97	V41-I43 HydrophobicContact CG1-CD1 4.44Å; V41-I43 HydrophobicContact CG1-CG1 4.11Å; I43-K47 WeakPolarHBondContact CA-O 3.41Å; I43-I48 HydrophobicContact CD1-CD1 4.38Å; I43-I48 HydrophobicContact CG1-CB 4.47Å; I43-I48 HydrophobicContact CG1-CD1 4.25Å; I43-I48 HydrophobicContact CG1-CG1 4.14Å; I43-F68 HydrophobicContact CG2-CE1 3.62Å; I43-F68 HydrophobicContact CG2-CZ 3.94Å; I43-F96 HydrophobicContact CD1-CB 4.41Å; I43-I97 HydrophobicContact CD1-CD1 3.97Å; I43-I97 HydrophobicContact CD1-CG1 3.51Å
44	A	88	Confident	83.6	Confident	35 Å²	35	40.1 Å²	40.1	29%	0.289	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	145.2	168.2	0	0	0	0	0	110.5	E46 K47 L162	A44-E46 VanDerWaalsContact C-N 3.34Å; A44-E46 PolarHBondContact O-N 3.01Å; A44-K47 PolarHBondContact N-O 3.05Å; A44-K47 PolarHBondContact O-N 3.42Å; A44-L162 HydrophobicContact CB-CD2 3.74Å
45	Q	84.6	Confident	85.2	Confident	183 Å²	183	37.7 Å²	37.7	86%	0.855	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.2	48.1	173.9	-58.6	177.9	-19.2	0	0	113.2	K47	Q45-K47 PolarHBondContact O-N 3.48Å
46	E	81.6	Confident	86.2	Confident	163 Å²	163	41.7 Å²	41.7	76%	0.762	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	15.1	-178.1	-57	-174.9	165.3	0	0	115	A44 P67 F68	A44-E46 VanDerWaalsContact C-N 3.34Å; A44-E46 PolarHBondContact O-N 3.01Å; E46-P67 WeakPolarHBondContact O-CA 3.44Å; E46-F68 VanDerWaalsContact O-CD1 3.23Å; E46-F68 WeakPolarHBondContact O-CD1 3.46Å; E46-F68 WeakPolarHBondContact O-CE1 3.44Å; E46-F68 PolarHBondContact O-N 2.77Å
47	K	87.3	Confident	86.4	Confident	101 Å²	101	40.2 Å²	40.2	44%	0.439	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	148.1	171.6	-64.6	-178.1	-176.9	-179.6	0	110.6	I43 A44 Q45 S66 L162	I43-K47 WeakPolarHBondContact CA-O 3.41Å; A44-K47 PolarHBondContact N-O 3.05Å; A44-K47 PolarHBondContact O-N 3.42Å; Q45-K47 PolarHBondContact O-N 3.48Å; K47-S66 CarbonylContact C-O 3.44Å; K47-S66 WeakPolarHBondContact CA-O 3.23Å; K47-L162 HydrophobicContact CB-CD1 3.63Å; K47-L162 VanDerWaalsContact O-CD1 3.31Å; K47-L162 WeakPolarHBondContact O-CD1 3.36Å
48	I	86.9	Confident	86.5	Confident	3 Å²	3	40.5 Å²	40.5	2%	0.015	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	136.3	173.4	-172.6	161.4	0	0	0	108.9	V41 I43 M63 D65 S66 F68 L75	V41-I48 HydrophobicContact CG1-CD1 3.61Å; V41-I48 HydrophobicContact CG1-CG1 3.8Å; I43-I48 HydrophobicContact CD1-CD1 4.38Å; I43-I48 HydrophobicContact CG1-CB 4.47Å; I43-I48 HydrophobicContact CG1-CD1 4.25Å; I43-I48 HydrophobicContact CG1-CG1 4.14Å; I48-M63 HydrophobicContact CG2-CE 3.58Å; I48-D65 WeakPolarHBondContact O-CA 3.45Å; I48-S66 PolarHBondContact N-O 3.42Å; I48-S66 PolarHBondContact O-N 3.27Å; I48-F68 HydrophobicContact CB-CB 4.34Å; I48-F68 HydrophobicContact CB-CD1 3.96Å; I48-F68 HydrophobicContact CB-CG 4.43Å; I48-F68 HydrophobicContact CG2-CB 3.77Å; I48-F68 HydrophobicContact CG2-CD1 4.23Å; I48-F68 HydrophobicContact CG2-CG 4.37Å; I48-L75 HydrophobicContact CD1-CD1 3.99Å; I48-L75 HydrophobicContact CD1-CD2 3.88Å
49	G	89.3	Confident	86.3	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	140.9	164.2	0	0	0	0	0	108.8	C42	C42-G49 PolarHBondContact N-O 3.33Å; C42-G49 PolarHBondContact O-N 3.43Å
50	L	90.5	Very high	86.5	Confident	0 Å²	0	40 Å²	40	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	153	-179.1	67	82.3	0	0	0	111.8	L39 S40 V41 Y62 M63 L79 L198	L39-L50 HydrophobicContact CD1-CB 4.09Å; L39-L50 HydrophobicContact CD1-CD1 3.84Å; L39-L50 HydrophobicContact CD1-CD2 4.47Å; L39-L50 HydrophobicContact CD1-CG 4.32Å; S40-L50 WeakPolarHBondContact O-CA 3.43Å; S40-L50 WeakPolarHBondContact O-CB 3.27Å; V41-L50 HydrophobicContact CG2-CB 4.25Å; L50-Y62 WeakPolarHBondContact O-CA 3.38Å; L50-M63 HydrophobicContact CD1-CB 3.88Å; L50-M63 HydrophobicContact CD2-CB 4.32Å; L50-M63 HydrophobicContact CD2-CE 3.67Å; L50-M63 HydrophobicContact CD2-SD 4.32Å; L50-M63 HydrophobicContact CG-CB 3.79Å; L50-M63 HydrophobicContact CG-CE 4.13Å; L50-M63 PolarHBondContact O-N 3.26Å; L50-L79 HydrophobicContact CD2-CD1 4.11Å; L50-L79 HydrophobicContact CD2-CD2 4.25Å; L50-L198 HydrophobicContact CD1-CD2 3.67Å
51	V	92.5	Very high	86.4	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	137	167.9	-63.6	0	0	0	0	109.6	L39 S40 L60 Q61 V163 A166 L167 L170	L39-V51 WeakPolarHBondContact CA-O 3.47Å; S40-V51 PolarHBondContact N-O 3.42Å; S40-V51 PolarHBondContact O-N 3.22Å; V51-L60 HydrophobicContact CB-CD1 4.06Å; V51-Q61 CarbonylContact C-O 3.35Å; V51-Q61 VanDerWaalsContact CA-O 3.28Å; V51-Q61 WeakPolarHBondContact CA-O 3.29Å; V51-V163 HydrophobicContact CG1-CG1 3.78Å; V51-A166 HydrophobicContact CG2-CB 4.05Å; V51-L167 HydrophobicContact CG1-CB 4.27Å; V51-L167 HydrophobicContact CG2-CB 4.45Å; V51-L170 HydrophobicContact CG2-CB 4.3Å; V51-L170 HydrophobicContact CG2-CD2 4.17Å
52	L	89.6	Confident	86.4	Confident	18 Å²	18	43.4 Å²	43.4	9%	0.094	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	118.7	176.2	176.5	67.7	0	0	0	107.9	L37 Y38 L39 Q61 L85	L37-L52 HydrophobicContact CB-CD1 4.09Å; Y38-L52 CarbonylContact O-C 3.57Å; Y38-L52 WeakPolarHBondContact O-CA 3.34Å; L39-L52 HydrophobicContact CB-CD1 4.06Å; L39-L52 HydrophobicContact CD1-CB 4.22Å; L39-L52 HydrophobicContact CD1-CD1 4.41Å; L52-Q61 HydrophobicContact CB-CB 4.16Å; L52-Q61 PolarHBondContact N-O 3.13Å; L52-Q61 PolarHBondContact O-N 2.95Å; L52-L85 HydrophobicContact CD1-CD1 3.9Å
53	W	90	Very high	86.2	Confident	17 Å²	17	43 Å²	43	6%	0.064	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	131.6	179.8	179.9	64.4	0	0	0	110.8	Y38 P55 L60 L170 L174 L190	Y38-W53 AromaticContact CD2-CE3 3.62Å; Y38-W53 HydrophobicContact CD2-CE3 3.62Å; Y38-W53 AromaticContact CD2-CZ3 3.8Å; Y38-W53 HydrophobicContact CD2-CZ3 3.8Å; Y38-W53 HydrophobicContact CE2-CE3 4.33Å; Y38-W53 HydrophobicContact CE2-CZ3 4.04Å; Y38-W53 HydrophobicContact CG-CE3 4.24Å; Y38-W53 PolarHBondContact N-O 3.02Å; Y38-W53 PolarHBondContact O-N 2.8Å; W53-P55 HydrophobicContact CD2-CG 4.48Å; W53-P55 HydrophobicContact CE3-CB 4.41Å; W53-P55 HydrophobicContact CE3-CG 3.84Å; W53-P55 HydrophobicContact CH2-CB 3.71Å; W53-P55 HydrophobicContact CH2-CG 3.99Å; W53-P55 HydrophobicContact CZ2-CB 4.18Å; W53-P55 HydrophobicContact CZ3-CB 3.83Å; W53-P55 HydrophobicContact CZ3-CG 3.55Å; W53-L60 HydrophobicContact CB-CD1 3.98Å; W53-L60 HydrophobicContact CG-CD1 4.48Å; W53-L170 HydrophobicContact CB-CD1 4.29Å; W53-L170 HydrophobicContact CB-CD2 3.5Å; W53-L170 VanDerWaalsContact CB-CD2 3.5Å; W53-L170 HydrophobicContact CE3-CD1 4.28Å; W53-L170 HydrophobicContact CG-CD2 4.05Å; W53-L174 HydrophobicContact CD2-CD1 4.34Å; W53-L174 HydrophobicContact CE3-CD1 3.88Å; W53-L174 HydrophobicContact CE3-CD2 4.09Å; W53-L174 HydrophobicContact CH2-CD1 3.94Å; W53-L174 HydrophobicContact CH2-CD2 4.09Å; W53-L174 HydrophobicContact CZ2-CD1 4.39Å; W53-L174 HydrophobicContact CZ3-CD1 3.67Å; W53-L174 HydrophobicContact CZ3-CD2 3.43Å; W53-L174 VanDerWaalsContact CZ3-CD2 3.43Å; W53-L174 HydrophobicContact CZ3-CG 4.2Å; W53-L190 HydrophobicContact CD2-CD1 3.93Å; W53-L190 VanDerWaalsContact CE2-CD1 3.41Å; W53-L190 HydrophobicContact CG-CD1 4.16Å; W53-L190 HydrophobicContact CZ2-CD1 3.79Å; W53-L190 VanDerWaalsContact NE1-CD1 3.32Å
54	N	83.7	Confident	86.1	Confident	41 Å²	41	43.9 Å²	43.9	22%	0.219	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	109.2	174.8	-177.1	-25.8	0	0	0	109.5	L37 Y56 T57 H58 I59	L37-N54 HydrophobicContact CD2-CB 3.59Å; N54-Y56 PolarHBondContact O-N 3.28Å; N54-Y56 VanDerWaalsContact O-N 3.12Å; N54-Y56 WeakPolarHBondContact OD1-CB 3.48Å; N54-Y56 PolarHBondContact OD1-N 2.8Å; N54-T57 VanDerWaalsContact CB-OG1 3.29Å; N54-T57 WeakPolarHBondContact CB-OG1 3.46Å; N54-T57 PolarHBondContact ND2-OG1 3.2Å; N54-T57 PolarHBondContact OD1-N 3.07Å; N54-H58 WeakPolarHBondContact O-CA 3.41Å; N54-H58 PolarHBondContact O-N 3.33Å; N54-I59 PolarHBondContact N-O 2.96Å; N54-I59 VanDerWaalsContact N-O 3.17Å
55	P	80.8	Confident	86.2	Confident	36 Å²	36	43.8 Å²	43.8	23%	0.234	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-12.1	-178.3	-17	28	0	0	0	114.9	Q36 Y38 W53 H58	Q36-P55 WeakPolarHBondContact O-CD 3.16Å; Q36-P55 WeakPolarHBondContact O-CG 3.23Å; Y38-P55 HydrophobicContact CD2-CG 3.79Å; Y38-P55 HydrophobicContact CE2-CG 3.79Å; W53-P55 HydrophobicContact CD2-CG 4.48Å; W53-P55 HydrophobicContact CE3-CB 4.41Å; W53-P55 HydrophobicContact CE3-CG 3.84Å; W53-P55 HydrophobicContact CH2-CB 3.71Å; W53-P55 HydrophobicContact CH2-CG 3.99Å; W53-P55 HydrophobicContact CZ2-CB 4.18Å; W53-P55 HydrophobicContact CZ3-CB 3.83Å; W53-P55 HydrophobicContact CZ3-CG 3.55Å; P55-H58 PolarHBondContact O-CD2 3.04Å; P55-H58 PolarHBondContact O-NE2 3.08Å; P55-H58 VanDerWaalsContact O-NE2 3.07Å
56	Y	74.2	Confident	86	Confident	137 Å²	137	35.6 Å²	35.6	54%	0.537	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-40.2	-177.9	-177.2	-91.1	0	0	0	112.4	P35 N54	P35-Y56 HydrophobicContact CG-CD2 4.16Å; P35-Y56 HydrophobicContact CG-CG 3.92Å; N54-Y56 PolarHBondContact O-N 3.28Å; N54-Y56 VanDerWaalsContact O-N 3.12Å; N54-Y56 WeakPolarHBondContact OD1-CB 3.48Å; N54-Y56 PolarHBondContact OD1-N 2.8Å
57	T	74.9	Confident	85.9	Confident	30 Å²	30	32.5 Å²	32.5	18%	0.184	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-15.8	175.6	64.1	0	0	0	0	112.1	N54 I59	N54-T57 VanDerWaalsContact CB-OG1 3.29Å; N54-T57 WeakPolarHBondContact CB-OG1 3.46Å; N54-T57 PolarHBondContact ND2-OG1 3.2Å; N54-T57 PolarHBondContact OD1-N 3.07Å; T57-I59 PolarHBondContact O-N 3.48Å; T57-I59 WeakPolarHBondContact OG1-CG1 3.33Å; T57-I59 PolarHBondContact OG1-N 2.84Å
58	H	84.3	Confident	85.3	Confident	27 Å²	27	29.8 Å²	29.8	13%	0.125	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	25.9	-172.3	-69.8	-101.2	0	0	0	112.9	N54 P55 D191 I192 V193 L307	N54-H58 WeakPolarHBondContact O-CA 3.41Å; N54-H58 PolarHBondContact O-N 3.33Å; P55-H58 PolarHBondContact O-CD2 3.04Å; P55-H58 PolarHBondContact O-NE2 3.08Å; P55-H58 VanDerWaalsContact O-NE2 3.07Å; H58-D191 WeakPolarHBondContact CB-O 3.28Å; H58-D191 WeakPolarHBondContact ND1-CB 3.38Å; H58-D191 PolarHBondContact ND1-O 2.9Å; H58-I192 CarbonylContact O-C 3.43Å; H58-I192 WeakPolarHBondContact O-CA 3.4Å; H58-V193 HydrophobicContact CB-CB 4.09Å; H58-V193 HydrophobicContact CB-CG2 3.6Å; H58-V193 PolarHBondContact O-N 3.44Å; H58-L307 HydrophobicContact CB-CD1 4.07Å; H58-L307 WeakPolarHBondContact CD2-CD2 3.44Å; H58-L307 VanDerWaalsContact CG-CD1 3.48Å; H58-L307 WeakPolarHBondContact NE2-CD2 3.27Å
59	I	85.2	Confident	84.4	Confident	16 Å²	16	32.7 Å²	32.7	8%	0.082	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	130.1	175.3	-59.9	173.3	0	0	0	108.3	N54 T57 Q61 D194 Q196	N54-I59 PolarHBondContact N-O 2.96Å; N54-I59 VanDerWaalsContact N-O 3.17Å; T57-I59 PolarHBondContact O-N 3.48Å; T57-I59 WeakPolarHBondContact OG1-CG1 3.33Å; T57-I59 PolarHBondContact OG1-N 2.84Å; I59-Q61 HydrophobicContact CG2-CG 4.18Å; I59-D194 HydrophobicContact CG1-CB 4.25Å; I59-D194 HydrophobicContact CG2-CB 4.46Å; I59-Q196 HydrophobicContact CG2-CB 4.27Å; I59-Q196 HydrophobicContact CG2-CG 3.88Å
60	L	91.6	Very high	82.7	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	110.8	170.2	-173.9	75.1	0	0	0	109.1	V51 W53 F156 L167 L170 I192 D194 V195 Q196	V51-L60 HydrophobicContact CB-CD1 4.06Å; W53-L60 HydrophobicContact CB-CD1 3.98Å; W53-L60 HydrophobicContact CG-CD1 4.48Å; L60-F156 HydrophobicContact CD2-CE1 4.4Å; L60-F156 HydrophobicContact CD2-CZ 3.96Å; L60-L167 HydrophobicContact CD1-CD1 4.18Å; L60-L167 HydrophobicContact CD2-CD1 3.85Å; L60-L167 HydrophobicContact CD2-CD2 4.5Å; L60-L170 HydrophobicContact CD1-CD2 3.93Å; L60-I192 HydrophobicContact CB-CD1 4.41Å; L60-I192 HydrophobicContact CB-CG1 4.44Å; L60-I192 HydrophobicContact CB-CG2 4.08Å; L60-I192 HydrophobicContact CD2-CD1 3.98Å; L60-D194 PolarHBondContact N-O 3.4Å; L60-V195 HydrophobicContact CB-CG2 4.36Å; L60-V195 HydrophobicContact CD2-CG2 4.47Å; L60-V195 CarbonylContact O-C 3.53Å; L60-V195 VanDerWaalsContact O-CA 3.26Å; L60-V195 WeakPolarHBondContact O-CA 3.46Å; L60-Q196 PolarHBondContact O-N 2.95Å
61	Q	90.2	Very high	81.1	Confident	41 Å²	41	46 Å²	46	19%	0.192	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	144.5	170.2	-72.1	177.3	-21.4	0	0	110.3	V51 L52 I59 Q196 L198	V51-Q61 CarbonylContact C-O 3.35Å; V51-Q61 VanDerWaalsContact CA-O 3.28Å; V51-Q61 WeakPolarHBondContact CA-O 3.29Å; L52-Q61 HydrophobicContact CB-CB 4.16Å; L52-Q61 PolarHBondContact N-O 3.13Å; L52-Q61 PolarHBondContact O-N 2.95Å; I59-Q61 HydrophobicContact CG2-CG 4.18Å; Q61-Q196 CarbonylContact C-O 3.53Å; Q61-Q196 WeakPolarHBondContact CA-O 3.35Å; Q61-Q196 HydrophobicContact CG-CB 3.97Å; Q61-L198 HydrophobicContact CB-CB 4.46Å; Q61-L198 HydrophobicContact CB-CD1 4.48Å
62	Y	90.9	Very high	79.6	Confident	33 Å²	33	47.4 Å²	47.4	13%	0.129	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	150.9	178.1	76.5	-82.3	0	0	0	112.4	L50 P64 F156 P157 V163 V195 Q196 L197 L198	L50-Y62 WeakPolarHBondContact O-CA 3.38Å; Y62-P64 HydrophobicContact CD2-CG 4.44Å; Y62-P64 HydrophobicContact CE2-CG 3.97Å; Y62-F156 HydrophobicContact CD1-CD1 4.01Å; Y62-F156 AromaticContact CD1-CE1 3.94Å; Y62-F156 HydrophobicContact CD1-CE1 3.94Å; Y62-F156 AromaticContact CD2-CD1 3.72Å; Y62-F156 HydrophobicContact CD2-CD1 3.72Å; Y62-F156 HydrophobicContact CD2-CE1 4.27Å; Y62-F156 HydrophobicContact CE1-CD1 4.33Å; Y62-F156 HydrophobicContact CE2-CD1 4.04Å; Y62-F156 AromaticContact CG-CD1 3.7Å; Y62-F156 HydrophobicContact CG-CD1 3.7Å; Y62-F156 AromaticContact CG-CE1 3.77Å; Y62-F156 HydrophobicContact CG-CE1 3.77Å; Y62-P157 HydrophobicContact CE2-CG 4.41Å; Y62-V163 HydrophobicContact CD2-CG1 4.21Å; Y62-V163 HydrophobicContact CD2-CG2 4.49Å; Y62-V163 HydrophobicContact CG-CG1 4.43Å; Y62-V195 HydrophobicContact CD1-CG1 3.73Å; Y62-V195 HydrophobicContact CE1-CG1 3.89Å; Y62-Q196 VanDerWaalsContact CD1-O 3.22Å; Y62-Q196 WeakPolarHBondContact CD1-O 3.26Å; Y62-Q196 PolarHBondContact N-O 3.43Å; Y62-L197 HydrophobicContact CD2-CD1 4.45Å; Y62-L197 HydrophobicContact CE1-CB 4.46Å; Y62-L197 HydrophobicContact CE1-CD1 4.47Å; Y62-L197 HydrophobicContact CE2-CD1 3.87Å; Y62-L198 WeakPolarHBondContact O-CB 3.43Å; Y62-L198 PolarHBondContact O-N 3.38Å
63	M	86.4	Confident	78.3	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	121.4	170.1	-170.9	-177.9	69.4	0	0	109.5	I48 L50 W74 V163 L198 R200	I48-M63 HydrophobicContact CG2-CE 3.58Å; L50-M63 HydrophobicContact CD1-CB 3.88Å; L50-M63 HydrophobicContact CD2-CB 4.32Å; L50-M63 HydrophobicContact CD2-CE 3.67Å; L50-M63 HydrophobicContact CD2-SD 4.32Å; L50-M63 HydrophobicContact CG-CB 3.79Å; L50-M63 HydrophobicContact CG-CE 4.13Å; L50-M63 PolarHBondContact O-N 3.26Å; M63-W74 HydrophobicContact CE-CH2 4.48Å; M63-W74 HydrophobicContact CE-CZ3 4.16Å; M63-W74 HydrophobicContact SD-CE3 4.39Å; M63-W74 HydrophobicContact SD-CH2 3.32Å; M63-W74 WeakPolarHBondContact SD-CH2 3.44Å; M63-W74 HydrophobicContact SD-CZ2 4.32Å; M63-W74 HydrophobicContact SD-CZ3 3.36Å; M63-W74 WeakPolarHBondContact SD-CZ3 3.27Å; M63-V163 WeakPolarHBondContact O-CG2 3.48Å; M63-L198 HydrophobicContact CB-CB 4.47Å; M63-R200 PolarHBondContact SD-NH2 2.95Å
64	P	85.4	Confident	76.9	Confident	39 Å²	39	53 Å²	53	25%	0.253	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	147.4	177.5	-24.3	30.7	0	0	0	112.4	Y62 S66 P157 L197	Y62-P64 HydrophobicContact CD2-CG 4.44Å; Y62-P64 HydrophobicContact CE2-CG 3.97Å; P64-S66 WeakPolarHBondContact O-CB 3.34Å; P64-S66 PolarHBondContact O-N 3.14Å; P64-S66 VanDerWaalsContact O-N 3.11Å; P64-P157 HydrophobicContact CB-CG 4.32Å; P64-P157 HydrophobicContact CG-CG 4.27Å; P64-L197 HydrophobicContact CG-CD1 3.68Å
65	D	89.7	Confident	75.9	Confident	33 Å²	33	51.9 Å²	51.9	18%	0.176	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-48.2	118.6	173.8	-68	22.2	0	0	0	111.2	I48 S160 K161 L162 V163	I48-D65 WeakPolarHBondContact O-CA 3.45Å; D65-S160 VanDerWaalsContact OD1-C 3.31Å; D65-S160 VanDerWaalsContact OD1-CA 3.27Å; D65-S160 WeakPolarHBondContact OD1-CA 3.46Å; D65-S160 WeakPolarHBondContact OD2-CA 3.34Å; D65-K161 PolarHBondContact OD2-N 2.75Å; D65-L162 WeakPolarHBondContact OD1-CB 3.41Å; D65-L162 PolarHBondContact OD1-N 2.94Å; D65-L162 VanDerWaalsContact OD1-N 3.16Å; D65-L162 WeakPolarHBondContact OD2-CB 3.3Å; D65-L162 WeakPolarHBondContact OD2-CG 3.04Å; D65-L162 PolarHBondContact OD2-N 3.46Å; D65-V163 WeakPolarHBondContact OD1-CG2 3.22Å; D65-V163 PolarHBondContact OD1-N 3.15Å
66	S	82	Confident	74.9	Confident	11 Å²	11	54 Å²	54	8%	0.077	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	152.1	-171	65.1	0	0	0	0	111.8	K47 I48 P64 R200	K47-S66 CarbonylContact C-O 3.44Å; K47-S66 WeakPolarHBondContact CA-O 3.23Å; I48-S66 PolarHBondContact N-O 3.42Å; I48-S66 PolarHBondContact O-N 3.27Å; P64-S66 WeakPolarHBondContact O-CB 3.34Å; P64-S66 PolarHBondContact O-N 3.14Å; P64-S66 VanDerWaalsContact O-N 3.11Å; S66-R200 VanDerWaalsContact OG-CZ 3.26Å; S66-R200 PolarHBondContact OG-NH1 2.76Å; S66-R200 PolarHBondContact OG-NH2 3.31Å
67	P	79.6	Confident	74.2	Confident	97 Å²	97	48.1 Å²	48.1	63%	0.63	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-58.8	143.8	166.3	28.3	-33.5	0	0	0	109.7	E46 R200	E46-P67 WeakPolarHBondContact O-CA 3.44Å; P67-R200 PolarHBondContact O-NH1 3.1Å; P67-R200 VanDerWaalsContact O-NH1 3.1Å
68	F	74.8	Confident	73.4	Confident	45 Å²	45	47.7 Å²	47.7	20%	0.197	25%	0.245	C	C	.	.			trans	-119.8	147.2	171.1	69.4	-88.7	0	0	0	109.7	I43 E46 I48 I100	I43-F68 HydrophobicContact CG2-CE1 3.62Å; I43-F68 HydrophobicContact CG2-CZ 3.94Å; E46-F68 VanDerWaalsContact O-CD1 3.23Å; E46-F68 WeakPolarHBondContact O-CD1 3.46Å; E46-F68 WeakPolarHBondContact O-CE1 3.44Å; E46-F68 PolarHBondContact O-N 2.77Å; I48-F68 HydrophobicContact CB-CB 4.34Å; I48-F68 HydrophobicContact CB-CD1 3.96Å; I48-F68 HydrophobicContact CB-CG 4.43Å; I48-F68 HydrophobicContact CG2-CB 3.77Å; I48-F68 HydrophobicContact CG2-CD1 4.23Å; I48-F68 HydrophobicContact CG2-CG 4.37Å; F68-I100 HydrophobicContact CD2-CD1 3.78Å; F68-I100 HydrophobicContact CE2-CD1 3.56Å
69	S	66.7	Low	72.1	Confident	63 Å²	63	46.6 Å²	46.6	44%	0.441	24%	0.24	S	C	.	.			trans	-111.3	157.2	172.4	98.3	0	0	0	0	111	E71 D72	S69-E71 PolarHBondContact O-N 2.68Å; S69-E71 PolarHBondContact OG-N 3.46Å; S69-E71 VanDerWaalsContact OG-N 3.14Å; S69-D72 VanDerWaalsContact O-CB 3.28Å; S69-D72 WeakPolarHBondContact O-CB 3.23Å; S69-D72 PolarHBondContact O-N 3.18Å; S69-D72 PolarHBondContact OG-N 3.28Å
70	L	54.3	Low	70.8	Confident	118 Å²	118	47.5 Å²	47.5	62%	0.618	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-20.6	174.3	-78.7	151.7	0	0	0	112.7	I100	L70-I100 HydrophobicContact CD2-CB 4.45Å; L70-I100 HydrophobicContact CD2-CG1 3.74Å
71	E	55.6	Low	69	Low	162 Å²	162	49.4 Å²	49.4	76%	0.757	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	12.4	179	-61.9	-169.3	171.5	0	0	113.2	S69 K73	S69-E71 PolarHBondContact O-N 2.68Å; S69-E71 PolarHBondContact OG-N 3.46Å; S69-E71 VanDerWaalsContact OG-N 3.14Å; E71-K73 WeakPolarHBondContact O-CG 3.33Å; E71-K73 PolarHBondContact O-N 2.65Å
72	D	62.2	Low	67.6	Low	30 Å²	30	50.3 Å²	50.3	16%	0.16	26%	0.263	C	S	.	.			trans	-70.9	76.9	-174.4	-142.9	-20.7	0	0	0	111.1	S69 W74 L75	S69-D72 VanDerWaalsContact O-CB 3.28Å; S69-D72 WeakPolarHBondContact O-CB 3.23Å; S69-D72 PolarHBondContact O-N 3.18Å; S69-D72 PolarHBondContact OG-N 3.28Å; D72-W74 PolarHBondContact O-N 3.1Å; D72-L75 WeakPolarHBondContact O-CB 3.29Å; D72-L75 PolarHBondContact O-N 3.14Å; D72-L75 VanDerWaalsContact O-N 3.08Å
73	K	61.2	Low	65.9	Low	130 Å²	130	50.6 Å²	50.6	57%	0.565	27%	0.267	S	S	*	.	H	α-helix	trans	-57.2	-28	-178.3	-72.7	177.2	-175	175.5	0	111.7	E71 K76 Q77 F205	E71-K73 WeakPolarHBondContact O-CG 3.33Å; E71-K73 PolarHBondContact O-N 2.65Å; K73-K76 WeakPolarHBondContact O-CB 3.42Å; K73-K76 PolarHBondContact O-N 3.19Å; K73-Q77 PolarHBondContact O-N 3.11Å; K73-F205 HydrophobicContact CB-CD2 3.8Å; K73-F205 HydrophobicContact CB-CE2 4.1Å; K73-F205 HydrophobicContact CB-CG 4.19Å; K73-F205 HydrophobicContact CD-CD1 4.49Å; K73-F205 HydrophobicContact CD-CG 4.5Å; K73-F205 WeakPolarHBondContact O-CD2 3.21Å; K73-F205 WeakPolarHBondContact O-CE2 3.48Å
74	W	61.1	Low	65.1	Low	21 Å²	21	54.8 Å²	54.8	8%	0.08	28%	0.282	C	S	.	.	H	α-helix	trans	-58.2	-48.9	174.6	173.9	86.3	0	0	0	111.7	M63 D72 K76 Q77 S78 L198 R200 M203	M63-W74 HydrophobicContact CE-CH2 4.48Å; M63-W74 HydrophobicContact CE-CZ3 4.16Å; M63-W74 HydrophobicContact SD-CE3 4.39Å; M63-W74 HydrophobicContact SD-CH2 3.32Å; M63-W74 WeakPolarHBondContact SD-CH2 3.44Å; M63-W74 HydrophobicContact SD-CZ2 4.32Å; M63-W74 HydrophobicContact SD-CZ3 3.36Å; M63-W74 WeakPolarHBondContact SD-CZ3 3.27Å; D72-W74 PolarHBondContact O-N 3.1Å; W74-K76 PolarHBondContact O-N 3.21Å; W74-Q77 PolarHBondContact O-N 2.88Å; W74-S78 PolarHBondContact NE1-OG 2.88Å; W74-S78 PolarHBondContact O-N 3.34Å; W74-L198 HydrophobicContact CH2-CD2 3.78Å; W74-L198 HydrophobicContact CH2-CG 4.37Å; W74-L198 HydrophobicContact CZ2-CD2 3.92Å; W74-L198 HydrophobicContact CZ2-CG 4.08Å; W74-R200 HydrophobicContact CD2-CB 4.45Å; W74-R200 HydrophobicContact CD2-CG 3.76Å; W74-R200 HydrophobicContact CE3-CG 4.07Å; W74-R200 HydrophobicContact CG-CG 3.92Å; W74-R200 HydrophobicContact CZ2-CB 4.49Å; W74-M203 VanDerWaalsContact CD1-CE 3.5Å
75	L	61.8	Low	64.7	Low	19 Å²	19	53 Å²	53	10%	0.099	27%	0.271	C	S	.	.	H	α-helix	trans	-58.8	-38.2	-179.6	-123.9	122.8	0	0	0	110.3	I48 D72 Q77 L79 F80	I48-L75 HydrophobicContact CD1-CD1 3.99Å; I48-L75 HydrophobicContact CD1-CD2 3.88Å; D72-L75 WeakPolarHBondContact O-CB 3.29Å; D72-L75 PolarHBondContact O-N 3.14Å; D72-L75 VanDerWaalsContact O-N 3.08Å; L75-Q77 PolarHBondContact O-N 3.12Å; L75-L79 HydrophobicContact CB-CD1 4.35Å; L75-L79 HydrophobicContact CD2-CD1 3.4Å; L75-L79 HydrophobicContact CG-CD1 3.61Å; L75-L79 WeakPolarHBondContact O-CB 3.47Å; L75-F80 WeakPolarHBondContact O-CD2 3.45Å; L75-F80 VanDerWaalsContact O-CE2 3.23Å; L75-F80 WeakPolarHBondContact O-CE2 3.22Å
76	K	61.7	Low	64.4	Low	81 Å²	81	51.5 Å²	51.5	35%	0.352	26%	0.263	S	S	.	.	H	α-helix	trans	-67	-29.6	177	-69.2	-175.5	-178.2	-174.2	0	114	K73 W74 F80 I100	K73-K76 WeakPolarHBondContact O-CB 3.42Å; K73-K76 PolarHBondContact O-N 3.19Å; W74-K76 PolarHBondContact O-N 3.21Å; K76-F80 WeakPolarHBondContact O-CB 3.5Å; K76-F80 VanDerWaalsContact O-CD2 3.28Å; K76-F80 WeakPolarHBondContact O-CD2 3.44Å; K76-I100 VanDerWaalsContact CE-O 3.25Å; K76-I100 WeakPolarHBondContact CE-O 3.46Å; K76-I100 PolarHBondContact NZ-O 2.9Å
77	Q	59.3	Low	64.6	Low	13 Å²	13	51.2 Å²	51.2	6%	0.061	26%	0.261	C	S	.	.	H	α-helix	trans	-97.6	-51.4	-176.9	-172.6	-166.8	8.8	0	0	112.5	K73 W74 L75 L79 S81 L204 F205 V206	K73-Q77 PolarHBondContact O-N 3.11Å; W74-Q77 PolarHBondContact O-N 2.88Å; L75-Q77 PolarHBondContact O-N 3.12Å; Q77-L79 VanDerWaalsContact C-N 3.27Å; Q77-L79 PolarHBondContact O-N 2.82Å; Q77-S81 WeakPolarHBondContact O-CB 3.2Å; Q77-S81 PolarHBondContact O-N 2.91Å; Q77-S81 PolarHBondContact O-OG 2.98Å; Q77-L204 PolarHBondContact NE2-O 3.49Å; Q77-L204 PolarHBondContact OE1-O 2.88Å; Q77-F205 HydrophobicContact CB-CD2 3.79Å; Q77-F205 HydrophobicContact CB-CE2 3.84Å; Q77-F205 HydrophobicContact CG-CD2 4.35Å; Q77-F205 VanDerWaalsContact OE1-CA 3.23Å; Q77-V206 VanDerWaalsContact CD-N 3.34Å; Q77-V206 WeakPolarHBondContact CG-O 3.42Å; Q77-V206 PolarHBondContact NE2-O 3.04Å
78	S	56.7	Low	65	Low	20 Å²	20	46.6 Å²	46.6	14%	0.14	23%	0.231	C	C	.	.	H	α-helix	trans	-67.6	-30.4	-172.7	-63.6	0	0	0	0	112.5	W74 M203	W74-S78 PolarHBondContact NE1-OG 2.88Å; W74-S78 PolarHBondContact O-N 3.34Å; S78-M203 WeakPolarHBondContact OG-CE 3.35Å
79	L	58.2	Low	65.8	Low	5 Å²	5	44.5 Å²	44.5	3%	0.026	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-43.2	178.3	-59.3	168.2	0	0	0	111	L39 L50 L75 Q77 L85	L39-L79 HydrophobicContact CD1-CD2 3.54Å; L39-L79 HydrophobicContact CD2-CB 3.9Å; L39-L79 HydrophobicContact CD2-CD1 3.79Å; L39-L79 HydrophobicContact CD2-CD2 3.51Å; L39-L79 HydrophobicContact CD2-CG 3.9Å; L39-L79 HydrophobicContact CG-CD2 4.16Å; L50-L79 HydrophobicContact CD2-CD1 4.11Å; L50-L79 HydrophobicContact CD2-CD2 4.25Å; L75-L79 HydrophobicContact CB-CD1 4.35Å; L75-L79 HydrophobicContact CD2-CD1 3.4Å; L75-L79 HydrophobicContact CG-CD1 3.61Å; L75-L79 WeakPolarHBondContact O-CB 3.47Å; Q77-L79 VanDerWaalsContact C-N 3.27Å; Q77-L79 PolarHBondContact O-N 2.82Å; L79-L85 WeakPolarHBondContact O-CD2 3.32Å
80	F	56.9	Low	66.9	Low	34 Å²	34	41.8 Å²	41.8	15%	0.149	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	8.8	-169.1	-49.4	-95.7	0	0	0	114.8	L75 K76 N82 I87 V101 F106 I112	L75-F80 WeakPolarHBondContact O-CD2 3.45Å; L75-F80 VanDerWaalsContact O-CE2 3.23Å; L75-F80 WeakPolarHBondContact O-CE2 3.22Å; K76-F80 WeakPolarHBondContact O-CB 3.5Å; K76-F80 VanDerWaalsContact O-CD2 3.28Å; K76-F80 WeakPolarHBondContact O-CD2 3.44Å; F80-N82 PolarHBondContact O-N 2.96Å; F80-I87 HydrophobicContact CD1-CD1 4.17Å; F80-I87 HydrophobicContact CE1-CD1 3.39Å; F80-I87 HydrophobicContact CZ-CD1 4.07Å; F80-V101 HydrophobicContact CZ-CG2 4.5Å; F80-F106 HydrophobicContact CD1-CE1 4.48Å; F80-F106 HydrophobicContact CD1-CZ 4.46Å; F80-F106 AromaticContact CE1-CE1 3.6Å; F80-F106 HydrophobicContact CE1-CE1 3.6Å; F80-F106 HydrophobicContact CE1-CE2 4.34Å; F80-F106 AromaticContact CE1-CZ 3.36Å; F80-F106 HydrophobicContact CE1-CZ 3.36Å; F80-F106 HydrophobicContact CZ-CE1 4.33Å; F80-F106 HydrophobicContact CZ-CE2 4.46Å; F80-F106 AromaticContact CZ-CZ 3.66Å; F80-F106 HydrophobicContact CZ-CZ 3.66Å; F80-I112 HydrophobicContact CB-CD1 3.78Å; F80-I112 HydrophobicContact CD1-CD1 3.53Å; F80-I112 HydrophobicContact CG-CD1 4.13Å
81	S	53.6	Low	68.4	Low	40 Å²	40	41.6 Å²	41.6	28%	0.28	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-22.1	171	53.9	0	0	0	0	112.8	Q77	Q77-S81 WeakPolarHBondContact O-CB 3.2Å; Q77-S81 PolarHBondContact O-N 2.91Å; Q77-S81 PolarHBondContact O-OG 2.98Å
82	N	60.6	Low	69.8	Low	61 Å²	61	36.6 Å²	36.6	33%	0.326	18%	0.179	S	C	.	.			trans	-91.5	118.4	177.9	-86.2	-55.9	0	0	0	111.9	L37 F80 R84	L37-N82 HydrophobicContact CD1-CB 4.2Å; L37-N82 VanDerWaalsContact CD1-ND2 3.28Å; L37-N82 WeakPolarHBondContact CD1-ND2 3.35Å; F80-N82 PolarHBondContact O-N 2.96Å; N82-R84 PolarHBondContact O-N 3.3Å; N82-R84 VanDerWaalsContact O-N 3.09Å
83	D	56.6	Low	70.8	Confident	39 Å²	39	35.4 Å²	35.4	21%	0.209	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	1.7	-179.7	-76.5	-8	0	0	0	114	S110 G111 K208	D83-S110 WeakPolarHBondContact CA-O 3.48Å; D83-G111 CarbonylContact O-C 3.59Å; D83-G111 VanDerWaalsContact O-C 3.3Å; D83-G111 WeakPolarHBondContact O-CA 3.43Å; D83-K208 WeakPolarHBondContact OD1-CE 3.39Å; D83-K208 IonicContact OD1-NZ 3.52Å; D83-K208 PolarHBondContact OD1-NZ 3.05Å; D83-K208 IonicContact OD2-NZ 3.54Å; D83-K208 PolarHBondContact OD2-NZ 3.36Å
84	R	69.5	Low	71.7	Confident	89 Å²	89	31.3 Å²	31.3	34%	0.336	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.8	43.3	178	-56.2	-168.3	90.3	175.8	9.5	112.4	C33 E34 Q36 L37 N82	C33-R84 PolarHBondContact SG-NH1 3.09Å; C33-R84 VanDerWaalsContact SG-NH1 3.41Å; E34-R84 VanDerWaalsContact O-CD 3.25Å; E34-R84 WeakPolarHBondContact O-CD 3.39Å; E34-R84 PolarHBondContact O-NH1 2.64Å; Q36-R84 CarbonylContact C-O 3.51Å; Q36-R84 VanDerWaalsContact CA-O 3.24Å; Q36-R84 WeakPolarHBondContact CA-O 3.26Å; Q36-R84 HydrophobicContact CG-CB 4.12Å; L37-R84 PolarHBondContact N-O 2.97Å; N82-R84 PolarHBondContact O-N 3.3Å; N82-R84 VanDerWaalsContact O-N 3.09Å
85	L	76.8	Confident	72.3	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	132.9	175.9	-168	76.1	0	0	0	111.4	L37 L39 L52 L79 I87 I112 Q113	L37-L85 HydrophobicContact CB-CD1 3.83Å; L39-L85 HydrophobicContact CB-CD1 3.9Å; L39-L85 HydrophobicContact CB-CD2 4.26Å; L39-L85 HydrophobicContact CB-CG 4.21Å; L39-L85 HydrophobicContact CD2-CD2 4.07Å; L52-L85 HydrophobicContact CD1-CD1 3.9Å; L79-L85 WeakPolarHBondContact O-CD2 3.32Å; L85-I87 HydrophobicContact CD2-CD1 3.91Å; L85-I87 HydrophobicContact CD2-CG1 3.59Å; L85-I87 HydrophobicContact CG-CG1 4.07Å; L85-I112 HydrophobicContact CB-CG1 4.28Å; L85-I112 HydrophobicContact CB-CG2 4.34Å; L85-I112 WeakPolarHBondContact O-CA 3.36Å; L85-Q113 PolarHBondContact O-N 3.13Å
86	V	83.3	Confident	72.8	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	115	166.8	-175.8	0	0	0	0	108.3	Q36 L37 Y38 L39 L88 Q113 E115	Q36-V86 HydrophobicContact CB-CG2 4.31Å; Q36-V86 HydrophobicContact CG-CG2 4.33Å; L37-V86 PolarHBondContact O-N 3.41Å; Y38-V86 WeakPolarHBondContact CA-O 3.37Å; Y38-V86 HydrophobicContact CD1-CB 3.76Å; Y38-V86 HydrophobicContact CD1-CG1 3.96Å; Y38-V86 HydrophobicContact CD1-CG2 4.39Å; Y38-V86 HydrophobicContact CE1-CB 3.9Å; Y38-V86 HydrophobicContact CE1-CG1 3.95Å; Y38-V86 HydrophobicContact CE1-CG2 4.08Å; L39-V86 PolarHBondContact N-O 3.35Å; V86-L88 HydrophobicContact CG1-CD2 3.97Å; V86-Q113 CarbonylContact C-O 3.5Å; V86-Q113 WeakPolarHBondContact CA-O 3.38Å; V86-Q113 HydrophobicContact CG2-CB 4.35Å; V86-E115 HydrophobicContact CG1-CG 4.25Å
87	I	85.4	Confident	73.2	Confident	6 Å²	6	38.6 Å²	38.6	3%	0.031	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	118.2	179.3	-58.7	176.2	0	0	0	109.2	L39 F80 L85 I89 F106 I112 Q113 T114 E115	L39-I87 HydrophobicContact CD2-CG1 4.31Å; L39-I87 CarbonylContact O-C 3.53Å; L39-I87 WeakPolarHBondContact O-CA 3.48Å; F80-I87 HydrophobicContact CD1-CD1 4.17Å; F80-I87 HydrophobicContact CE1-CD1 3.39Å; F80-I87 HydrophobicContact CZ-CD1 4.07Å; L85-I87 HydrophobicContact CD2-CD1 3.91Å; L85-I87 HydrophobicContact CD2-CG1 3.59Å; L85-I87 HydrophobicContact CG-CG1 4.07Å; I87-I89 HydrophobicContact CG2-CB 4.44Å; I87-F106 HydrophobicContact CD1-CE1 3.87Å; I87-F106 HydrophobicContact CD1-CZ 4.34Å; I87-I112 HydrophobicContact CD1-CG2 3.73Å; I87-I112 HydrophobicContact CG1-CG2 4.08Å; I87-Q113 PolarHBondContact N-O 2.88Å; I87-T114 HydrophobicContact CB-CG2 4.39Å; I87-T114 CarbonylContact O-C 3.45Å; I87-T114 WeakPolarHBondContact O-CA 3.49Å; I87-E115 PolarHBondContact O-N 3.08Å
88	L	89.8	Confident	73.6	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	125.1	173.2	-46.7	177.8	0	0	0	107.9	Y38 L39 S40 V41 V86 E115 I117 Y122 L170 R173	Y38-L88 HydrophobicContact CD1-CD1 4.39Å; Y38-L88 HydrophobicContact CD1-CD2 4.46Å; L39-L88 PolarHBondContact O-N 3.23Å; S40-L88 WeakPolarHBondContact CA-O 3.28Å; V41-L88 PolarHBondContact N-O 3.42Å; V86-L88 HydrophobicContact CG1-CD2 3.97Å; L88-E115 HydrophobicContact CD2-CB 3.97Å; L88-I117 HydrophobicContact CB-CG1 4.21Å; L88-Y122 PolarHBondContact O-OH 3.03Å; L88-L170 HydrophobicContact CD1-CB 4.31Å; L88-L170 HydrophobicContact CD1-CD1 3.84Å; L88-R173 HydrophobicContact CD1-CB 3.59Å; L88-R173 HydrophobicContact CD1-CG 3.77Å; L88-R173 HydrophobicContact CD2-CB 4.16Å; L88-R173 HydrophobicContact CD2-CG 3.67Å; L88-R173 HydrophobicContact CG-CB 4.5Å; L88-R173 HydrophobicContact CG-CG 4.38Å
89	I	89.9	Confident	74	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	156.8	-176.5	-168	158	0	0	0	111.6	V41 I87 L94 I97 T114 E115 I116 I117 Y122	V41-I89 HydrophobicContact CB-CD1 4.48Å; I87-I89 HydrophobicContact CG2-CB 4.44Å; I89-L94 HydrophobicContact CG2-CB 4.11Å; I89-L94 HydrophobicContact CG2-CD1 4.03Å; I89-I97 HydrophobicContact CD1-CB 4.33Å; I89-I97 HydrophobicContact CD1-CD1 3.22Å; I89-I97 HydrophobicContact CD1-CG1 3.75Å; I89-T114 HydrophobicContact CG2-CG2 3.93Å; I89-E115 PolarHBondContact N-O 3.33Å; I89-E115 VanDerWaalsContact N-O 3.12Å; I89-I116 CarbonylContact O-C 3.49Å; I89-I116 WeakPolarHBondContact O-CA 3.25Å; I89-I117 PolarHBondContact O-N 3.15Å; I89-Y122 PolarHBondContact N-OH 3.24Å
90	T	90.4	Very high	74.1	Confident	5 Å²	5	42.8 Å²	42.8	3%	0.031	22%	0.219	C	C	.	.			trans	-83.7	151	170.9	61.3	0	0	0	0	110.9	P92 S93 L94 Q119 Y122	T90-P92 VanDerWaalsContact C-CD 3.49Å; T90-S93 PolarHBondContact O-N 3.4Å; T90-S93 WeakPolarHBondContact OG1-CB 3.47Å; T90-S93 PolarHBondContact OG1-OG 2.83Å; T90-L94 PolarHBondContact O-N 3.35Å; T90-Q119 HydrophobicContact CG2-CB 4.38Å; T90-Q119 HydrophobicContact CG2-CG 4.49Å; T90-Y122 HydrophobicContact CG2-CD1 4.06Å; T90-Y122 HydrophobicContact CG2-CD2 3.46Å; T90-Y122 VanDerWaalsContact CG2-CD2 3.46Å; T90-Y122 HydrophobicContact CG2-CE1 4.49Å; T90-Y122 HydrophobicContact CG2-CE2 3.97Å; T90-Y122 HydrophobicContact CG2-CG 3.5Å
91	E	86	Confident	74.1	Confident	115 Å²	115	43.3 Å²	43.3	54%	0.537	22%	0.224	S	C	.	.	H	α-helix	trans	-55.2	-42.4	180	-165.8	-176.4	165.9	0	0	114.1	S93 L94 K95 I116	E91-S93 VanDerWaalsContact C-N 3.35Å; E91-S93 PolarHBondContact O-N 3.4Å; E91-L94 PolarHBondContact O-N 2.85Å; E91-K95 PolarHBondContact O-N 2.87Å; E91-I116 HydrophobicContact CB-CG2 3.96Å
92	P	84.2	Confident	74.2	Confident	56 Å²	56	43.6 Å²	43.6	36%	0.364	23%	0.234	S	C	.	.	H	α-helix	trans	-61.6	-43.9	174.7	-21.9	34.1	0	0	0	111.8	T90 L94 K95 F96	T90-P92 VanDerWaalsContact C-CD 3.49Å; P92-L94 VanDerWaalsContact C-N 3.31Å; P92-L94 PolarHBondContact O-N 3.39Å; P92-K95 PolarHBondContact O-N 3.27Å; P92-F96 WeakPolarHBondContact O-CD2 2.94Å
93	S	83	Confident	73.5	Confident	5 Å²	5	45.1 Å²	45.1	4%	0.035	25%	0.245	C	C	.	.	H	α-helix	trans	-67.8	-31.1	-179.4	-60.8	0	0	0	0	112.2	T90 E91 K95 F96 I97	T90-S93 PolarHBondContact O-N 3.4Å; T90-S93 WeakPolarHBondContact OG1-CB 3.47Å; T90-S93 PolarHBondContact OG1-OG 2.83Å; E91-S93 VanDerWaalsContact C-N 3.35Å; E91-S93 PolarHBondContact O-N 3.4Å; S93-K95 VanDerWaalsContact C-N 3.33Å; S93-K95 PolarHBondContact O-N 2.8Å; S93-F96 WeakPolarHBondContact O-CB 3.39Å; S93-F96 PolarHBondContact O-N 3.19Å; S93-F96 VanDerWaalsContact O-N 3.13Å; S93-I97 PolarHBondContact O-N 3.48Å
94	L	80.4	Confident	73	Confident	44 Å²	44	50.2 Å²	50.2	23%	0.23	27%	0.273	C	S	.	.	H	α-helix	trans	-60.9	-42.3	176.5	-178.1	64.9	0	0	0	111.5	I89 T90 E91 P92 F96 I97 S98 T114 I116	I89-L94 HydrophobicContact CG2-CB 4.11Å; I89-L94 HydrophobicContact CG2-CD1 4.03Å; T90-L94 PolarHBondContact O-N 3.35Å; E91-L94 PolarHBondContact O-N 2.85Å; P92-L94 VanDerWaalsContact C-N 3.31Å; P92-L94 PolarHBondContact O-N 3.39Å; L94-F96 PolarHBondContact O-N 3.21Å; L94-I97 PolarHBondContact O-N 3.4Å; L94-S98 WeakPolarHBondContact O-CB 3.49Å; L94-S98 PolarHBondContact O-N 3.02Å; L94-S98 PolarHBondContact O-OG 3.32Å; L94-T114 HydrophobicContact CD1-CG2 3.96Å; L94-I116 HydrophobicContact CD2-CD1 3.81Å; L94-I116 HydrophobicContact CD2-CG1 4.1Å
95	K	74.9	Confident	71.9	Confident	145 Å²	145	53.6 Å²	53.6	63%	0.63	29%	0.29	S	S	*	.	H	α-helix	trans	-62.1	-32.7	175.9	-66.2	-178.9	-177.9	175.4	0	112.4	E91 P92 S93 S98 S99	E91-K95 PolarHBondContact O-N 2.87Å; P92-K95 PolarHBondContact O-N 3.27Å; S93-K95 VanDerWaalsContact C-N 3.33Å; S93-K95 PolarHBondContact O-N 2.8Å; K95-S98 PolarHBondContact O-OG 3.02Å; K95-S98 VanDerWaalsContact O-OG 3.06Å; K95-S99 PolarHBondContact O-N 3.37Å; K95-S99 PolarHBondContact O-OG 3.46Å
96	F	72.4	Confident	70.4	Confident	117 Å²	117	54.7 Å²	54.7	51%	0.513	29%	0.294	S	S	.	.	H	α-helix	trans	-75.2	-41.1	175.5	-72.5	-75.6	0	0	0	112.6	I43 P92 S93 L94 S98 S99 I100	I43-F96 HydrophobicContact CD1-CB 4.41Å; P92-F96 WeakPolarHBondContact O-CD2 2.94Å; S93-F96 WeakPolarHBondContact O-CB 3.39Å; S93-F96 PolarHBondContact O-N 3.19Å; S93-F96 VanDerWaalsContact O-N 3.13Å; L94-F96 PolarHBondContact O-N 3.21Å; F96-S98 VanDerWaalsContact C-N 3.34Å; F96-S99 PolarHBondContact O-OG 3.49Å; F96-I100 WeakPolarHBondContact O-CD1 3.37Å; F96-I100 VanDerWaalsContact O-CG1 3.26Å; F96-I100 WeakPolarHBondContact O-CG1 3.45Å; F96-I100 PolarHBondContact O-N 2.92Å
97	I	69.1	Low	68.5	Low	12 Å²	12	61.4 Å²	61.4	6%	0.062	33%	0.326	C	S	.	.	H	α-helix	trans	-69	-38.1	176.4	-65.5	-165.7	0	0	0	111.1	V41 I43 I89 S93 L94 S99 I100 V101 F106	V41-I97 HydrophobicContact CB-CD1 4.38Å; V41-I97 HydrophobicContact CG1-CD1 3.95Å; I43-I97 HydrophobicContact CD1-CD1 3.97Å; I43-I97 HydrophobicContact CD1-CG1 3.51Å; I89-I97 HydrophobicContact CD1-CB 4.33Å; I89-I97 HydrophobicContact CD1-CD1 3.22Å; I89-I97 HydrophobicContact CD1-CG1 3.75Å; S93-I97 PolarHBondContact O-N 3.48Å; L94-I97 PolarHBondContact O-N 3.4Å; I97-S99 VanDerWaalsContact C-N 3.29Å; I97-S99 PolarHBondContact O-N 3.27Å; I97-I100 WeakPolarHBondContact O-CB 3.48Å; I97-I100 PolarHBondContact O-N 3.23Å; I97-I100 VanDerWaalsContact O-N 3.09Å; I97-V101 HydrophobicContact CG2-CG2 3.89Å; I97-V101 WeakPolarHBondContact O-CG2 3.44Å; I97-V101 PolarHBondContact O-N 3.41Å; I97-F106 HydrophobicContact CG2-CE2 3.94Å; I97-F106 HydrophobicContact CG2-CZ 3.93Å
98	S	68.1	Low	66.3	Low	28 Å²	28	68.2 Å²	68.2	20%	0.196	36%	0.361	C	S	.	.	H	α-helix	trans	-64	-37.3	-178	76.8	0	0	0	0	111.6	L94 K95 F96 I100 V101 G102	L94-S98 WeakPolarHBondContact O-CB 3.49Å; L94-S98 PolarHBondContact O-N 3.02Å; L94-S98 PolarHBondContact O-OG 3.32Å; K95-S98 PolarHBondContact O-OG 3.02Å; K95-S98 VanDerWaalsContact O-OG 3.06Å; F96-S98 VanDerWaalsContact C-N 3.34Å; S98-I100 VanDerWaalsContact C-N 3.34Å; S98-I100 PolarHBondContact O-N 3.48Å; S98-V101 PolarHBondContact O-N 3.08Å; S98-G102 PolarHBondContact O-N 3.43Å; S98-G102 VanDerWaalsContact O-N 3.11Å
99	S	65.7	Low	64.1	Low	74 Å²	74	72.5 Å²	72.5	52%	0.517	39%	0.39	S	S	.	.	H	α-helix	trans	-67.6	-29.9	172.8	66.2	0	0	0	0	113.6	K95 F96 I97	K95-S99 PolarHBondContact O-N 3.37Å; K95-S99 PolarHBondContact O-OG 3.46Å; F96-S99 PolarHBondContact O-OG 3.49Å; I97-S99 VanDerWaalsContact C-N 3.29Å; I97-S99 PolarHBondContact O-N 3.27Å
100	I	58.9	Low	62.3	Low	25 Å²	25	73.4 Å²	73.4	13%	0.128	40%	0.397	C	S	.	.	H	α-helix	trans	-75.5	-41.7	175.8	-63.7	162	0	0	0	111.7	F68 L70 K76 F96 I97 S98	F68-I100 HydrophobicContact CD2-CD1 3.78Å; F68-I100 HydrophobicContact CE2-CD1 3.56Å; L70-I100 HydrophobicContact CD2-CB 4.45Å; L70-I100 HydrophobicContact CD2-CG1 3.74Å; K76-I100 VanDerWaalsContact CE-O 3.25Å; K76-I100 WeakPolarHBondContact CE-O 3.46Å; K76-I100 PolarHBondContact NZ-O 2.9Å; F96-I100 WeakPolarHBondContact O-CD1 3.37Å; F96-I100 VanDerWaalsContact O-CG1 3.26Å; F96-I100 WeakPolarHBondContact O-CG1 3.45Å; F96-I100 PolarHBondContact O-N 2.92Å; I97-I100 WeakPolarHBondContact O-CB 3.48Å; I97-I100 PolarHBondContact O-N 3.23Å; I97-I100 VanDerWaalsContact O-N 3.09Å; S98-I100 VanDerWaalsContact C-N 3.34Å; S98-I100 PolarHBondContact O-N 3.48Å
101	V	58.3	Low	60.8	Low	44 Å²	44	75.9 Å²	75.9	27%	0.267	42%	0.423	S	S	.	.	H	α-helix	trans	-84.6	-20.6	-171.5	-179.5	0	0	0	0	112.8	F80 I97 S98 F106	F80-V101 HydrophobicContact CZ-CG2 4.5Å; I97-V101 HydrophobicContact CG2-CG2 3.89Å; I97-V101 WeakPolarHBondContact O-CG2 3.44Å; I97-V101 PolarHBondContact O-N 3.41Å; S98-V101 PolarHBondContact O-N 3.08Å; V101-F106 HydrophobicContact CB-CD2 3.88Å; V101-F106 HydrophobicContact CB-CE2 3.43Å; V101-F106 VanDerWaalsContact CB-CE2 3.43Å; V101-F106 HydrophobicContact CG1-CD2 3.63Å; V101-F106 HydrophobicContact CG1-CE2 3.42Å; V101-F106 VanDerWaalsContact CG1-CE2 3.42Å; V101-F106 HydrophobicContact CG1-CZ 4.41Å; V101-F106 HydrophobicContact CG2-CE2 3.59Å; V101-F106 HydrophobicContact CG2-CZ 4.3Å
102	G	55.9	Low	59.9	Low	46 Å²	46	70.9 Å²	70.9	47%	0.474	40%	0.4	S	S	.	.			trans	82.4	106.5	-175.1	0	0	0	0	0	109.4	S98 D104	S98-G102 PolarHBondContact O-N 3.43Å; S98-G102 VanDerWaalsContact O-N 3.11Å; G102-D104 VanDerWaalsContact C-N 3.31Å; G102-D104 PolarHBondContact O-N 3.39Å
103	T	45.7	Very low	59.5	Low	93 Å²	93	72.8 Å²	72.8	57%	0.571	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-3.4	-156.8	18.9	0	0	0	0	118.4
104	D	45.7	Very low	59.4	Low	147 Å²	147	74 Å²	74	79%	0.786	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-0.5	-171.5	-69.8	-20.8	0	0	0	115.4	G102	G102-D104 VanDerWaalsContact C-N 3.31Å; G102-D104 PolarHBondContact O-N 3.39Å
105	K	45.2	Very low	59.7	Low	159 Å²	159	73.7 Å²	73.7	69%	0.691	41%	0.409	S	S	*	.	S	Bend	trans	-130.6	1.5	-174.1	-71.4	-172.6	179.1	178.6	0	117.1	H107	K105-H107 VanDerWaalsContact C-N 3.28Å; K105-H107 PolarHBondContact O-N 3.17Å
106	F	46.4	Very low	60.4	Low	25 Å²	25	71 Å²	71	11%	0.11	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-31.2	-174.3	-127.6	-74.4	0	0	0	113.9	F80 I87 I97 V101	F80-F106 HydrophobicContact CD1-CE1 4.48Å; F80-F106 HydrophobicContact CD1-CZ 4.46Å; F80-F106 AromaticContact CE1-CE1 3.6Å; F80-F106 HydrophobicContact CE1-CE1 3.6Å; F80-F106 HydrophobicContact CE1-CE2 4.34Å; F80-F106 AromaticContact CE1-CZ 3.36Å; F80-F106 HydrophobicContact CE1-CZ 3.36Å; F80-F106 HydrophobicContact CZ-CE1 4.33Å; F80-F106 HydrophobicContact CZ-CE2 4.46Å; F80-F106 AromaticContact CZ-CZ 3.66Å; F80-F106 HydrophobicContact CZ-CZ 3.66Å; I87-F106 HydrophobicContact CD1-CE1 3.87Å; I87-F106 HydrophobicContact CD1-CZ 4.34Å; I97-F106 HydrophobicContact CG2-CE2 3.94Å; I97-F106 HydrophobicContact CG2-CZ 3.93Å; V101-F106 HydrophobicContact CB-CD2 3.88Å; V101-F106 HydrophobicContact CB-CE2 3.43Å; V101-F106 VanDerWaalsContact CB-CE2 3.43Å; V101-F106 HydrophobicContact CG1-CD2 3.63Å; V101-F106 HydrophobicContact CG1-CE2 3.42Å; V101-F106 VanDerWaalsContact CG1-CE2 3.42Å; V101-F106 HydrophobicContact CG1-CZ 4.41Å; V101-F106 HydrophobicContact CG2-CE2 3.59Å; V101-F106 HydrophobicContact CG2-CZ 4.3Å
107	H	43.4	Very low	61.3	Low	143 Å²	143	65.5 Å²	65.5	66%	0.662	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-13.9	-173.7	-75.1	-60.1	0	0	0	115.7	K105	K105-H107 VanDerWaalsContact C-N 3.28Å; K105-H107 PolarHBondContact O-N 3.17Å
108	I	39.9	Very low	62.3	Low	149 Å²	149	67.8 Å²	67.8	76%	0.764	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	-3.8	-156.6	-53.6	179.3	0	0	0	114
109	S	41.7	Very low	63.3	Low	89 Å²	89	72.8 Å²	72.8	62%	0.622	41%	0.412	S	S	*	.	S	Bend	trans	-145.5	-0.2	-176.1	61.7	0	0	0	0	119.3
110	S	52.5	Low	64.5	Low	21 Å²	21	73 Å²	73	15%	0.147	41%	0.413	C	S	.	.	S	Bend	trans	-121.7	-2.3	-170.6	55.2	0	0	0	0	117.2	D83 I112	D83-S110 WeakPolarHBondContact CA-O 3.48Å; S110-I112 PolarHBondContact O-N 2.72Å; S110-I112 WeakPolarHBondContact OG-CG1 3.44Å
111	G	58.7	Low	66.1	Low	56 Å²	56	75.1 Å²	75.1	58%	0.577	42%	0.42	S	S	*	.			trans	70.6	4.8	-175.9	0	0	0	0	0	114.4	D83	D83-G111 CarbonylContact O-C 3.59Å; D83-G111 VanDerWaalsContact O-C 3.3Å; D83-G111 WeakPolarHBondContact O-CA 3.43Å
112	I	67.6	Low	67.8	Low	10 Å²	10	73.6 Å²	73.6	5%	0.051	41%	0.41	C	S	.	.			trans	-81.2	127.6	179.2	-60.2	179.4	0	0	0	109.2	F80 L85 I87 S110	F80-I112 HydrophobicContact CB-CD1 3.78Å; F80-I112 HydrophobicContact CD1-CD1 3.53Å; F80-I112 HydrophobicContact CG-CD1 4.13Å; L85-I112 HydrophobicContact CB-CG1 4.28Å; L85-I112 HydrophobicContact CB-CG2 4.34Å; L85-I112 WeakPolarHBondContact O-CA 3.36Å; I87-I112 HydrophobicContact CD1-CG2 3.73Å; I87-I112 HydrophobicContact CG1-CG2 4.08Å; S110-I112 PolarHBondContact O-N 2.72Å; S110-I112 WeakPolarHBondContact OG-CG1 3.44Å
113	Q	77.1	Confident	69.6	Low	97 Å²	97	73 Å²	73	45%	0.453	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	140.5	176.9	-66.7	178.8	-21.7	0	0	109.2	L85 V86 I87	L85-Q113 PolarHBondContact O-N 3.13Å; V86-Q113 CarbonylContact C-O 3.5Å; V86-Q113 WeakPolarHBondContact CA-O 3.38Å; V86-Q113 HydrophobicContact CG2-CB 4.35Å; I87-Q113 PolarHBondContact N-O 2.88Å
114	T	80	Confident	71.8	Confident	31 Å²	31	70.9 Å²	70.9	19%	0.19	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	127.2	175.9	-45.9	0	0	0	0	108.6	I87 I89 L94	I87-T114 HydrophobicContact CB-CG2 4.39Å; I87-T114 CarbonylContact O-C 3.45Å; I87-T114 WeakPolarHBondContact O-CA 3.49Å; I89-T114 HydrophobicContact CG2-CG2 3.93Å; L94-T114 HydrophobicContact CD1-CG2 3.96Å
115	E	87.1	Confident	74.1	Confident	37 Å²	37	69.8 Å²	69.8	17%	0.173	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	127.2	175.9	-68.1	-166.5	-146.5	0	0	110.6	V86 I87 L88 I89 R173 R176	V86-E115 HydrophobicContact CG1-CG 4.25Å; I87-E115 PolarHBondContact O-N 3.08Å; L88-E115 HydrophobicContact CD2-CB 3.97Å; I89-E115 PolarHBondContact N-O 3.33Å; I89-E115 VanDerWaalsContact N-O 3.12Å; E115-R173 IonicContact OE1-CZ 3Å; E115-R173 IonicContact OE1-NE 2.66Å; E115-R173 PolarHBondContact OE1-NE 3.45Å; E115-R173 IonicContact OE1-NH2 3.87Å; E115-R173 PolarHBondContact OE1-NH2 2.87Å; E115-R173 WeakPolarHBondContact OE2-CD 3.43Å; E115-R173 IonicContact OE2-CZ 3.59Å; E115-R173 IonicContact OE2-NE 3.59Å; E115-R173 PolarHBondContact OE2-NE 3.4Å; E115-R173 IonicContact OE2-NH2 2.76Å; E115-R176 IonicContact OE2-NH2 2.68Å
116	I	89	Confident	76.3	Confident	88 Å²	88	64.1 Å²	64.1	45%	0.451	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	123	176.7	-59.3	176	0	0	0	108.8	I89 E91 L94	I89-I116 CarbonylContact O-C 3.49Å; I89-I116 WeakPolarHBondContact O-CA 3.25Å; E91-I116 HydrophobicContact CB-CG2 3.96Å; L94-I116 HydrophobicContact CD2-CD1 3.81Å; L94-I116 HydrophobicContact CD2-CG1 4.1Å
117	I	90.5	Very high	78.5	Confident	1 Å²	1	63 Å²	63	1%	0.005	34%	0.343	C	S	.	.			trans	-107.4	135.7	177	-56.5	-58.8	0	0	0	109	L88 I89 Q119 Y122 Y172 R173	L88-I117 HydrophobicContact CB-CG1 4.21Å; I89-I117 PolarHBondContact O-N 3.15Å; I117-Q119 PolarHBondContact O-N 3.27Å; I117-Y122 HydrophobicContact CB-CD2 4.23Å; I117-Y122 HydrophobicContact CB-CE2 3.65Å; I117-Y122 HydrophobicContact CG1-CE2 4.19Å; I117-Y122 HydrophobicContact CG2-CD2 3.94Å; I117-Y122 HydrophobicContact CG2-CE2 3.71Å; I117-Y172 HydrophobicContact CD1-CD1 4.15Å; I117-Y172 HydrophobicContact CD1-CE1 4.3Å; I117-Y172 HydrophobicContact CG2-CD1 3.57Å; I117-Y172 HydrophobicContact CG2-CE1 4.01Å; I117-Y172 HydrophobicContact CG2-CG 4.49Å; I117-R173 HydrophobicContact CD1-CB 4.32Å
118	P	90.8	Very high	80.9	Confident	60 Å²	60	56.7 Å²	56.7	39%	0.39	31%	0.314	S	S	.	.			trans	-57.8	138.8	177.5	-22.3	31.2	0	0	0	112.1	S120 Y121	P118-S120 PolarHBondContact O-N 3.5Å; P118-S120 VanDerWaalsContact O-N 3.14Å; P118-Y121 HydrophobicContact CB-CD2 3.7Å; P118-Y121 HydrophobicContact CB-CE2 3.95Å; P118-Y121 HydrophobicContact CG-CD2 3.87Å; P118-Y121 HydrophobicContact CG-CE2 3.9Å; P118-Y121 PolarHBondContact O-N 3.08Å
119	Q	90.3	Very high	83.3	Confident	134 Å²	134	53.9 Å²	53.9	63%	0.626	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-60.9	-27.1	-174	-172.2	174.7	4.4	0	0	113.4	T90 I117 Y121 Y122	T90-Q119 HydrophobicContact CG2-CB 4.38Å; T90-Q119 HydrophobicContact CG2-CG 4.49Å; I117-Q119 PolarHBondContact O-N 3.27Å; Q119-Y121 PolarHBondContact O-N 3.25Å; Q119-Y122 PolarHBondContact O-N 3.29Å; Q119-Y122 VanDerWaalsContact O-N 3.09Å
120	S	90.5	Very high	85.5	Confident	77 Å²	77	51 Å²	51	54%	0.538	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-56.6	-32	174.4	49.1	0	0	0	0	113.2	P118 S123	P118-S120 PolarHBondContact O-N 3.5Å; P118-S120 VanDerWaalsContact O-N 3.14Å; S120-S123 WeakPolarHBondContact O-CB 3.4Å; S120-S123 PolarHBondContact O-OG 3.03Å
121	Y	92.4	Very high	87.2	Confident	71 Å²	71	50.2 Å²	50.2	28%	0.278	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-86.9	-10.1	-179.9	-58.8	-68.4	0	0	0	113.5	P118 Q119 S123 F126 S168 Y172	P118-Y121 HydrophobicContact CB-CD2 3.7Å; P118-Y121 HydrophobicContact CB-CE2 3.95Å; P118-Y121 HydrophobicContact CG-CD2 3.87Å; P118-Y121 HydrophobicContact CG-CE2 3.9Å; P118-Y121 PolarHBondContact O-N 3.08Å; Q119-Y121 PolarHBondContact O-N 3.25Å; Y121-S123 PolarHBondContact O-N 3Å; Y121-F126 HydrophobicContact CD1-CD1 4.39Å; Y121-F126 AromaticContact CD1-CD2 3.66Å; Y121-F126 HydrophobicContact CD1-CD2 3.66Å; Y121-F126 HydrophobicContact CD1-CE1 4.29Å; Y121-F126 AromaticContact CD1-CE2 3.54Å; Y121-F126 HydrophobicContact CD1-CE2 3.54Å; Y121-F126 HydrophobicContact CD1-CG 4.09Å; Y121-F126 AromaticContact CD1-CZ 3.87Å; Y121-F126 HydrophobicContact CD1-CZ 3.87Å; Y121-F126 HydrophobicContact CE1-CD2 4.09Å; Y121-F126 AromaticContact CE1-CE2 3.75Å; Y121-F126 HydrophobicContact CE1-CE2 3.75Å; Y121-F126 HydrophobicContact CE1-CZ 4.31Å; Y121-S168 CarbonylContact O-C 3.42Å; Y121-S168 VanDerWaalsContact O-CB 3.23Å; Y121-S168 WeakPolarHBondContact O-CB 3.5Å; Y121-S168 PolarHBondContact O-OG 2.83Å; Y121-Y172 AromaticContact CD1-CD2 3.34Å; Y121-Y172 HydrophobicContact CD1-CD2 3.34Å; Y121-Y172 AromaticContact CD1-CE2 3.7Å; Y121-Y172 HydrophobicContact CD1-CE2 3.7Å; Y121-Y172 AromaticContact CD1-CG 3.88Å; Y121-Y172 HydrophobicContact CD1-CG 3.88Å; Y121-Y172 HydrophobicContact CD2-CD1 4.05Å; Y121-Y172 AromaticContact CD2-CD2 3.89Å; Y121-Y172 HydrophobicContact CD2-CD2 3.89Å; Y121-Y172 AromaticContact CD2-CE1 3.85Å; Y121-Y172 HydrophobicContact CD2-CE1 3.85Å; Y121-Y172 AromaticContact CD2-CE2 3.69Å; Y121-Y172 HydrophobicContact CD2-CE2 3.69Å; Y121-Y172 HydrophobicContact CD2-CG 4.05Å; Y121-Y172 AromaticContact CD2-CZ 3.64Å; Y121-Y172 AromaticContact CE1-CD2 3.55Å; Y121-Y172 HydrophobicContact CE1-CD2 3.55Å; Y121-Y172 AromaticContact CE1-CE2 3.46Å; Y121-Y172 HydrophobicContact CE1-CE2 3.46Å; Y121-Y172 VanDerWaalsContact CE1-CE2 3.46Å; Y121-Y172 HydrophobicContact CE1-CG 4.48Å; Y121-Y172 HydrophobicContact CE2-CD2 4.08Å; Y121-Y172 HydrophobicContact CE2-CE1 4.13Å; Y121-Y172 AromaticContact CE2-CE2 3.46Å; Y121-Y172 HydrophobicContact CE2-CE2 3.46Å; Y121-Y172 VanDerWaalsContact CE2-CE2 3.46Å; Y121-Y172 AromaticContact CE2-CZ 3.46Å; Y121-Y172 VanDerWaalsContact CE2-CZ 3.46Å; Y121-Y172 HydrophobicContact CG-CD1 4.05Å; Y121-Y172 AromaticContact CG-CD2 3.51Å; Y121-Y172 HydrophobicContact CG-CD2 3.51Å; Y121-Y172 HydrophobicContact CG-CE1 4.29Å; Y121-Y172 AromaticContact CG-CE2 3.8Å; Y121-Y172 HydrophobicContact CG-CE2 3.8Å; Y121-Y172 AromaticContact CG-CG 3.64Å; Y121-Y172 HydrophobicContact CG-CG 3.64Å; Y121-Y172 AromaticContact CZ-CD2 3.91Å; Y121-Y172 AromaticContact CZ-CE2 3.32Å; Y121-Y172 AromaticContact CZ-CZ 3.83Å
122	Y	94	Very high	88.5	Confident	12 Å²	12	53.2 Å²	53.2	5%	0.047	27%	0.273	C	S	.	.	S	Bend	trans	-88.1	54.4	167.1	-87.4	-107.7	0	0	0	110.1	S40 V41 C42 L88 I89 T90 I117 Q119 R165 G169	S40-Y122 WeakPolarHBondContact OG-CE1 3.35Å; S40-Y122 VanDerWaalsContact OG-CZ 3.29Å; S40-Y122 PolarHBondContact OG-OH 3.39Å; V41-Y122 WeakPolarHBondContact O-CE1 3.31Å; C42-Y122 HydrophobicContact CB-CD1 3.83Å; C42-Y122 HydrophobicContact CB-CE1 4.08Å; L88-Y122 PolarHBondContact O-OH 3.03Å; I89-Y122 PolarHBondContact N-OH 3.24Å; T90-Y122 HydrophobicContact CG2-CD1 4.06Å; T90-Y122 HydrophobicContact CG2-CD2 3.46Å; T90-Y122 VanDerWaalsContact CG2-CD2 3.46Å; T90-Y122 HydrophobicContact CG2-CE1 4.49Å; T90-Y122 HydrophobicContact CG2-CE2 3.97Å; T90-Y122 HydrophobicContact CG2-CG 3.5Å; I117-Y122 HydrophobicContact CB-CD2 4.23Å; I117-Y122 HydrophobicContact CB-CE2 3.65Å; I117-Y122 HydrophobicContact CG1-CE2 4.19Å; I117-Y122 HydrophobicContact CG2-CD2 3.94Å; I117-Y122 HydrophobicContact CG2-CE2 3.71Å; Q119-Y122 PolarHBondContact O-N 3.29Å; Q119-Y122 VanDerWaalsContact O-N 3.09Å; Y122-R165 HydrophobicContact CD1-CB 4.43Å; Y122-R165 VanDerWaalsContact CD1-O 3.27Å; Y122-R165 WeakPolarHBondContact CD1-O 3.49Å; Y122-R165 WeakPolarHBondContact O-CG 3.36Å; Y122-G169 VanDerWaalsContact CE2-CA 3.44Å
123	S	92.8	Very high	89.4	Confident	34 Å²	34	54.7 Å²	54.7	24%	0.238	28%	0.282	C	S	.	.	S	Bend	trans	-129.1	140.7	-177.3	69.8	0	0	0	0	111.7	S120 Y121 Q125 F126 L127 S168	S120-S123 WeakPolarHBondContact O-CB 3.4Å; S120-S123 PolarHBondContact O-OG 3.03Å; Y121-S123 PolarHBondContact O-N 3Å; S123-Q125 PolarHBondContact O-N 3.39Å; S123-F126 PolarHBondContact O-N 2.96Å; S123-F126 VanDerWaalsContact OG-CB 3.28Å; S123-F126 WeakPolarHBondContact OG-CB 3.26Å; S123-F126 PolarHBondContact OG-N 2.86Å; S123-L127 PolarHBondContact O-N 3.32Å; S123-S168 WeakPolarHBondContact O-CB 3.33Å; S123-S168 PolarHBondContact O-OG 3.39Å
124	E	93.1	Very high	89.9	Confident	48 Å²	48	50.1 Å²	50.1	22%	0.224	26%	0.261	C	S	.	.	H	α-helix	trans	-61.6	-32	174.9	-67.2	167.6	-118.3	0	0	111.1	M128 K161 L164 R165	E124-M128 WeakPolarHBondContact O-CG 3.1Å; E124-M128 PolarHBondContact O-N 2.9Å; E124-M128 VanDerWaalsContact O-N 3.1Å; E124-K161 WeakPolarHBondContact OE1-CB 3.42Å; E124-L164 HydrophobicContact CG-CB 4.05Å; E124-L164 HydrophobicContact CG-CD1 4.42Å; E124-R165 HydrophobicContact CG-CG 4.15Å; E124-R165 IonicContact OE1-CZ 3.73Å; E124-R165 IonicContact OE1-NE 3.65Å; E124-R165 PolarHBondContact OE1-NE 2.88Å; E124-R165 IonicContact OE1-NH2 3.57Å; E124-R165 PolarHBondContact OE1-NH2 2.92Å
125	Q	92.6	Very high	90.2	Very high	123 Å²	123	49.6 Å²	49.6	58%	0.575	26%	0.259	S	S	*	.	H	α-helix	trans	-63	-49.4	178.1	-172.9	60.8	34	0	0	111.5	S123 L127 M128 D129	S123-Q125 PolarHBondContact O-N 3.39Å; Q125-L127 PolarHBondContact O-N 3.32Å; Q125-M128 PolarHBondContact O-N 3.27Å; Q125-M128 VanDerWaalsContact O-N 3.15Å; Q125-D129 VanDerWaalsContact NE2-CG 3.33Å; Q125-D129 PolarHBondContact NE2-OD1 3.14Å; Q125-D129 VanDerWaalsContact NE2-OD1 3.11Å; Q125-D129 PolarHBondContact NE2-OD2 2.81Å; Q125-D129 VanDerWaalsContact O-CG 3.29Å; Q125-D129 PolarHBondContact O-N 3.2Å
126	F	92.5	Very high	90.3	Very high	41 Å²	41	48.1 Å²	48.1	18%	0.18	25%	0.252	C	S	.	.	H	α-helix	trans	-59	-46.3	178.1	179	-93.4	0	0	0	111.7	Y121 S123 M128 D129 S130 S168 Y172	Y121-F126 HydrophobicContact CD1-CD1 4.39Å; Y121-F126 AromaticContact CD1-CD2 3.66Å; Y121-F126 HydrophobicContact CD1-CD2 3.66Å; Y121-F126 HydrophobicContact CD1-CE1 4.29Å; Y121-F126 AromaticContact CD1-CE2 3.54Å; Y121-F126 HydrophobicContact CD1-CE2 3.54Å; Y121-F126 HydrophobicContact CD1-CG 4.09Å; Y121-F126 AromaticContact CD1-CZ 3.87Å; Y121-F126 HydrophobicContact CD1-CZ 3.87Å; Y121-F126 HydrophobicContact CE1-CD2 4.09Å; Y121-F126 AromaticContact CE1-CE2 3.75Å; Y121-F126 HydrophobicContact CE1-CE2 3.75Å; Y121-F126 HydrophobicContact CE1-CZ 4.31Å; S123-F126 PolarHBondContact O-N 2.96Å; S123-F126 VanDerWaalsContact OG-CB 3.28Å; S123-F126 WeakPolarHBondContact OG-CB 3.26Å; S123-F126 PolarHBondContact OG-N 2.86Å; F126-M128 VanDerWaalsContact C-N 3.27Å; F126-M128 PolarHBondContact O-N 3.06Å; F126-D129 PolarHBondContact O-N 3.5Å; F126-D129 VanDerWaalsContact O-N 3.16Å; F126-S130 WeakPolarHBondContact CZ-OG 3.48Å; F126-S130 WeakPolarHBondContact O-CB 3.45Å; F126-S130 PolarHBondContact O-N 3.22Å; F126-S130 PolarHBondContact O-OG 3.38Å; F126-S168 VanDerWaalsContact CD1-OG 3.31Å; F126-S168 WeakPolarHBondContact CD1-OG 3.49Å; F126-Y172 HydrophobicContact CE1-CD2 4.45Å; F126-Y172 AromaticContact CZ-CD2 3.93Å; F126-Y172 HydrophobicContact CZ-CD2 3.93Å; F126-Y172 HydrophobicContact CZ-CG 4.49Å
127	L	92.9	Very high	90	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-55.2	-44.4	176.3	178.8	63.3	0	0	0	112.2	S123 Q125 H131 M134 I152 L164 L167 S168 L171	S123-L127 PolarHBondContact O-N 3.32Å; Q125-L127 PolarHBondContact O-N 3.32Å; L127-H131 PolarHBondContact O-N 3.17Å; L127-H131 VanDerWaalsContact O-N 3.14Å; L127-M134 HydrophobicContact CD1-CE 3.53Å; L127-M134 HydrophobicContact CD1-SD 4.03Å; L127-M134 HydrophobicContact CG-CE 4.36Å; L127-I152 HydrophobicContact CD2-CG2 4.4Å; L127-L164 HydrophobicContact CD2-CB 4.22Å; L127-L164 HydrophobicContact CD2-CD2 3.87Å; L127-L164 WeakPolarHBondContact CD2-O 3.29Å; L127-L167 HydrophobicContact CD1-CD2 4.11Å; L127-L167 HydrophobicContact CD1-CG 3.92Å; L127-L167 HydrophobicContact CD2-CB 4.32Å; L127-L167 HydrophobicContact CD2-CD2 4.01Å; L127-L167 HydrophobicContact CD2-CG 4.28Å; L127-S168 PolarHBondContact N-OG 3.45Å; L127-L171 HydrophobicContact CD1-CD2 3.87Å
128	M	93	Very high	89.7	Confident	12 Å²	12	46.4 Å²	46.4	6%	0.059	24%	0.243	C	C	.	.	H	α-helix	trans	-71.9	-32.4	-179	-64.9	-60.4	134.8	0	0	112.2	E124 Q125 F126 H131 K149 I152 K153	E124-M128 WeakPolarHBondContact O-CG 3.1Å; E124-M128 PolarHBondContact O-N 2.9Å; E124-M128 VanDerWaalsContact O-N 3.1Å; Q125-M128 PolarHBondContact O-N 3.27Å; Q125-M128 VanDerWaalsContact O-N 3.15Å; F126-M128 VanDerWaalsContact C-N 3.27Å; F126-M128 PolarHBondContact O-N 3.06Å; M128-H131 PolarHBondContact O-ND1 3.27Å; M128-K149 HydrophobicContact CB-CD 4.18Å; M128-K149 HydrophobicContact CB-CG 4.41Å; M128-K149 WeakPolarHBondContact O-CE 3.48Å; M128-K149 PolarHBondContact O-NZ 3.3Å; M128-K149 HydrophobicContact SD-CB 3.81Å; M128-K149 HydrophobicContact SD-CG 4.02Å; M128-I152 HydrophobicContact CE-CG2 4.23Å; M128-K153 HydrophobicContact CE-CD 4.26Å; M128-K153 HydrophobicContact CE-CG 3.61Å; M128-K153 HydrophobicContact SD-CD 4.42Å; M128-K153 HydrophobicContact SD-CG 4.22Å
129	D	89.4	Confident	89.5	Confident	89 Å²	89	43.9 Å²	43.9	48%	0.476	23%	0.226	S	C	.	.	H	α-helix	trans	-75.3	-33.8	177.3	-66.5	-21.3	0	0	0	111.3	Q125 F126 K149	Q125-D129 VanDerWaalsContact NE2-CG 3.33Å; Q125-D129 PolarHBondContact NE2-OD1 3.14Å; Q125-D129 VanDerWaalsContact NE2-OD1 3.11Å; Q125-D129 PolarHBondContact NE2-OD2 2.81Å; Q125-D129 VanDerWaalsContact O-CG 3.29Å; Q125-D129 PolarHBondContact O-N 3.2Å; F126-D129 PolarHBondContact O-N 3.5Å; F126-D129 VanDerWaalsContact O-N 3.16Å; D129-K149 IonicContact OD1-NZ 2.86Å
130	S	89.2	Confident	89.2	Confident	30 Å²	30	40.5 Å²	40.5	21%	0.21	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	11.3	177.6	-58.2	0	0	0	0	114.6	F126 Q132 V133	F126-S130 WeakPolarHBondContact CZ-OG 3.48Å; F126-S130 WeakPolarHBondContact O-CB 3.45Å; F126-S130 PolarHBondContact O-N 3.22Å; F126-S130 PolarHBondContact O-OG 3.38Å; S130-Q132 PolarHBondContact O-N 3.07Å; S130-V133 WeakPolarHBondContact O-CG2 3.29Å; S130-V133 PolarHBondContact O-N 3.27Å
131	H	87.9	Confident	88.5	Confident	4 Å²	4	42.5 Å²	42.5	2%	0.019	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-60.6	-18.3	-173.3	77	-72.3	0	0	0	115.8	L127 M128 V133 M134 D145 R148 I152	L127-H131 PolarHBondContact O-N 3.17Å; L127-H131 VanDerWaalsContact O-N 3.14Å; M128-H131 PolarHBondContact O-ND1 3.27Å; H131-V133 VanDerWaalsContact C-N 3.29Å; H131-V133 PolarHBondContact O-N 3.45Å; H131-M134 HydrophobicContact CB-CE 4.18Å; H131-M134 PolarHBondContact O-N 3.13Å; H131-D145 IonicContact CE1-OD1 2.99Å; H131-D145 IonicContact NE2-OD1 3.33Å; H131-R148 PolarHBondContact O-NH2 3.31Å; H131-I152 HydrophobicContact CB-CD1 3.69Å
132	Q	85.2	Confident	87.9	Confident	119 Å²	119	45.4 Å²	45.4	56%	0.556	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-70.3	-25.9	-179.5	-68.2	178.5	-13.3	0	0	112.6	S130 M134	S130-Q132 PolarHBondContact O-N 3.07Å; Q132-M134 PolarHBondContact O-N 3.19Å
133	V	86.3	Confident	87.6	Confident	40 Å²	40	47.5 Å²	47.5	24%	0.242	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-81	1	179.8	-58.2	0	0	0	0	113.4	S130 H131 L171 T175 I189 L190	S130-V133 WeakPolarHBondContact O-CG2 3.29Å; S130-V133 PolarHBondContact O-N 3.27Å; H131-V133 VanDerWaalsContact C-N 3.29Å; H131-V133 PolarHBondContact O-N 3.45Å; V133-L171 HydrophobicContact CG2-CD1 3.61Å; V133-L171 HydrophobicContact CG2-CD2 3.98Å; V133-L171 HydrophobicContact CG2-CG 3.96Å; V133-T175 HydrophobicContact CG2-CG2 3.9Å; V133-I189 HydrophobicContact CB-CB 4.15Å; V133-I189 HydrophobicContact CB-CD1 3.96Å; V133-I189 HydrophobicContact CB-CG1 4.15Å; V133-I189 HydrophobicContact CG1-CD1 3.87Å; V133-I189 HydrophobicContact CG1-CG1 4.46Å; V133-I189 PolarHBondContact O-N 2.9Å; V133-L190 PolarHBondContact O-N 2.81Å; V133-L190 VanDerWaalsContact O-N 3.11Å
134	M	88	Confident	87.4	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	128.3	175.7	-66.1	-172	-76.6	0	0	111.2	L127 H131 Q132 R148 I152 L167 L171 L190	L127-M134 HydrophobicContact CD1-CE 3.53Å; L127-M134 HydrophobicContact CD1-SD 4.03Å; L127-M134 HydrophobicContact CG-CE 4.36Å; H131-M134 HydrophobicContact CB-CE 4.18Å; H131-M134 PolarHBondContact O-N 3.13Å; Q132-M134 PolarHBondContact O-N 3.19Å; M134-R148 PolarHBondContact O-NH2 3.45Å; M134-I152 HydrophobicContact CE-CD1 3.51Å; M134-I152 HydrophobicContact CE-CG1 4.23Å; M134-I152 HydrophobicContact CE-CG2 4.27Å; M134-L167 HydrophobicContact SD-CD2 4.46Å; M134-L171 HydrophobicContact CE-CD2 4.16Å; M134-L171 HydrophobicContact CG-CD1 3.6Å; M134-L171 HydrophobicContact CG-CD2 4.17Å; M134-L171 HydrophobicContact SD-CD1 4.21Å; M134-L171 HydrophobicContact SD-CD2 4.19Å; M134-L190 WeakPolarHBondContact CA-O 3.17Å; M134-L190 HydrophobicContact CG-CB 4.2Å; M134-L190 HydrophobicContact CG-CD2 4.08Å; M134-L190 HydrophobicContact CG-CG 4.42Å; M134-L190 HydrophobicContact SD-CD2 4.1Å
135	S	87	Confident	87.2	Confident	21 Å²	21	50.2 Å²	50.2	15%	0.147	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	130.6	166.7	-163.6	0	0	0	0	109.5	N188 L190 D191 I192	S135-N188 VanDerWaalsContact CB-ND2 3.33Å; S135-N188 WeakPolarHBondContact CB-ND2 3.27Å; S135-N188 PolarHBondContact OG-ND2 3.19Å; S135-L190 PolarHBondContact N-O 2.86Å; S135-D191 WeakPolarHBondContact CB-OD1 3.26Å; S135-I192 PolarHBondContact O-N 3.18Å
136	I	89	Confident	87.2	Confident	5 Å²	5	52.4 Å²	52.4	3%	0.026	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	120.5	176	-55.7	166.5	0	0	0	106.4	F138 M139 F151 I152 L155 I192	I136-F138 HydrophobicContact CG2-CD1 3.81Å; I136-F138 HydrophobicContact CG2-CD2 4.19Å; I136-F138 HydrophobicContact CG2-CE1 3.43Å; I136-F138 VanDerWaalsContact CG2-CE1 3.43Å; I136-F138 HydrophobicContact CG2-CE2 3.84Å; I136-F138 HydrophobicContact CG2-CG 4.17Å; I136-F138 HydrophobicContact CG2-CZ 3.45Å; I136-F138 VanDerWaalsContact CG2-CZ 3.45Å; I136-F138 PolarHBondContact O-N 2.91Å; I136-F138 VanDerWaalsContact O-N 3.12Å; I136-M139 HydrophobicContact CB-CB 3.9Å; I136-M139 HydrophobicContact CB-CE 4.25Å; I136-M139 HydrophobicContact CD1-CE 4.26Å; I136-M139 HydrophobicContact CD1-SD 4.46Å; I136-M139 HydrophobicContact CG1-CE 4.37Å; I136-M139 HydrophobicContact CG2-CB 4.36Å; I136-M139 WeakPolarHBondContact O-CB 3.45Å; I136-M139 PolarHBondContact O-N 3.11Å; I136-F151 HydrophobicContact CD1-CD1 4.39Å; I136-F151 HydrophobicContact CD1-CE1 4.28Å; I136-F151 HydrophobicContact CG2-CE1 4.15Å; I136-I152 HydrophobicContact CD1-CG1 4Å; I136-L155 HydrophobicContact CD1-CD1 3.76Å; I136-I192 WeakPolarHBondContact CA-O 3.35Å; I136-I192 HydrophobicContact CG1-CB 4.18Å; I136-I192 HydrophobicContact CG1-CD1 4.18Å
137	S	83.8	Confident	87.2	Confident	11 Å²	11	51.4 Å²	51.4	8%	0.077	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-32.7	-165.3	-19.8	0	0	0	0	113.7	I192 V193 Q310	S137-I192 PolarHBondContact N-O 3.47Å; S137-I192 VanDerWaalsContact N-O 3.08Å; S137-I192 PolarHBondContact OG-O 2.76Å; S137-V193 VanDerWaalsContact OG-CA 3.25Å; S137-V193 WeakPolarHBondContact OG-CA 3.34Å; S137-V193 PolarHBondContact OG-O 3.01Å; S137-Q310 PolarHBondContact OG-NE2 3.22Å; S137-Q310 PolarHBondContact OG-OE1 3.42Å
138	F	83.2	Confident	87.2	Confident	43 Å²	43	53.5 Å²	53.5	19%	0.189	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	8.8	-176.6	57.7	-88.7	0	0	0	112.1	I136 F151 L155 V195 Q503	I136-F138 HydrophobicContact CG2-CD1 3.81Å; I136-F138 HydrophobicContact CG2-CD2 4.19Å; I136-F138 HydrophobicContact CG2-CE1 3.43Å; I136-F138 VanDerWaalsContact CG2-CE1 3.43Å; I136-F138 HydrophobicContact CG2-CE2 3.84Å; I136-F138 HydrophobicContact CG2-CG 4.17Å; I136-F138 HydrophobicContact CG2-CZ 3.45Å; I136-F138 VanDerWaalsContact CG2-CZ 3.45Å; I136-F138 PolarHBondContact O-N 2.91Å; I136-F138 VanDerWaalsContact O-N 3.12Å; F138-F151 HydrophobicContact CD2-CE1 4.31Å; F138-F151 AromaticContact CD2-CZ 3.67Å; F138-F151 HydrophobicContact CD2-CZ 3.67Å; F138-F151 HydrophobicContact CE2-CE1 4.1Å; F138-F151 AromaticContact CE2-CZ 3.79Å; F138-F151 HydrophobicContact CE2-CZ 3.79Å; F138-L155 HydrophobicContact CE2-CD2 3.62Å; F138-L155 HydrophobicContact CZ-CD2 3.92Å; F138-V195 HydrophobicContact CE1-CG2 4.46Å; F138-V195 HydrophobicContact CZ-CB 4.37Å; F138-V195 HydrophobicContact CZ-CG2 3.91Å; F138-Q503 HydrophobicContact CB-CG 3.75Å; F138-Q503 HydrophobicContact CD1-CG 4.22Å; F138-Q503 HydrophobicContact CD2-CG 4.3Å; F138-Q503 HydrophobicContact CG-CG 3.84Å
139	M	87.4	Confident	87.2	Confident	7 Å²	7	55.8 Å²	55.8	3%	0.034	31%	0.309	C	S	.	.	S	Bend	trans	-82.1	126.9	168.5	-176.6	168	50.6	0	0	109.3	I136 N141 L143 R148 F151	I136-M139 HydrophobicContact CB-CB 3.9Å; I136-M139 HydrophobicContact CB-CE 4.25Å; I136-M139 HydrophobicContact CD1-CE 4.26Å; I136-M139 HydrophobicContact CD1-SD 4.46Å; I136-M139 HydrophobicContact CG1-CE 4.37Å; I136-M139 HydrophobicContact CG2-CB 4.36Å; I136-M139 WeakPolarHBondContact O-CB 3.45Å; I136-M139 PolarHBondContact O-N 3.11Å; M139-N141 PolarHBondContact O-N 3.21Å; M139-L143 HydrophobicContact CG-CD1 3.97Å; M139-R148 VanDerWaalsContact CE-CZ 3.45Å; M139-R148 HydrophobicContact SD-CB 4.16Å; M139-R148 HydrophobicContact SD-CG 4.06Å; M139-F151 HydrophobicContact CB-CD1 3.82Å; M139-F151 HydrophobicContact CB-CE1 3.49Å; M139-F151 VanDerWaalsContact CB-CE1 3.49Å; M139-F151 HydrophobicContact CB-CG 4.46Å; M139-F151 HydrophobicContact CB-CZ 3.87Å; M139-F151 HydrophobicContact CG-CB 4.46Å; M139-F151 HydrophobicContact CG-CD1 3.57Å; M139-F151 HydrophobicContact CG-CD2 4.37Å; M139-F151 HydrophobicContact CG-CE1 3.8Å; M139-F151 HydrophobicContact CG-CG 3.88Å; M139-F151 HydrophobicContact CG-CZ 4.28Å; M139-F151 HydrophobicContact SD-CB 4.26Å; M139-F151 HydrophobicContact SD-CD1 3.61Å; M139-F151 HydrophobicContact SD-CE1 4.25Å; M139-F151 HydrophobicContact SD-CG 4.11Å
140	P	82.3	Confident	87.3	Confident	62 Å²	62	54.9 Å²	54.9	40%	0.403	31%	0.307	S	S	.	.			trans	-62.6	128.7	178.2	-19.2	28.2	0	0	0	112.1	T142 L143	P140-T142 PolarHBondContact O-N 3.08Å; P140-T142 VanDerWaalsContact O-N 3.16Å; P140-L143 HydrophobicContact CB-CD1 4.39Å; P140-L143 HydrophobicContact CB-CG 4.12Å; P140-L143 HydrophobicContact CG-CD1 4.23Å; P140-L143 HydrophobicContact CG-CG 4.4Å; P140-L143 WeakPolarHBondContact O-CG 3.44Å; P140-L143 PolarHBondContact O-N 3.17Å
141	N	76.7	Confident	87.5	Confident	119 Å²	119	55.3 Å²	55.3	64%	0.636	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-17.5	179.1	-64.5	-12.7	0	0	0	113.1	M139 L143	M139-N141 PolarHBondContact O-N 3.21Å; N141-L143 VanDerWaalsContact C-N 3.29Å; N141-L143 PolarHBondContact O-N 2.64Å
142	T	80.5	Confident	87.7	Confident	133 Å²	133	55.1 Å²	55.1	82%	0.816	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-6.2	-179.8	58.7	0	0	0	0	113.8	P140 G144	P140-T142 PolarHBondContact O-N 3.08Å; P140-T142 VanDerWaalsContact O-N 3.16Å; T142-G144 PolarHBondContact O-N 2.89Å
143	L	86	Confident	88	Confident	55 Å²	55	54.3 Å²	54.3	29%	0.288	30%	0.299	S	S	.	.			trans	-73.3	123.4	-179.7	-66.4	177	0	0	0	110.7	M139 P140 N141 R148 F151	M139-L143 HydrophobicContact CG-CD1 3.97Å; P140-L143 HydrophobicContact CB-CD1 4.39Å; P140-L143 HydrophobicContact CB-CG 4.12Å; P140-L143 HydrophobicContact CG-CD1 4.23Å; P140-L143 HydrophobicContact CG-CG 4.4Å; P140-L143 WeakPolarHBondContact O-CG 3.44Å; P140-L143 PolarHBondContact O-N 3.17Å; N141-L143 VanDerWaalsContact C-N 3.29Å; N141-L143 PolarHBondContact O-N 2.64Å; L143-R148 HydrophobicContact CB-CG 3.88Å; L143-F151 HydrophobicContact CD1-CB 4.01Å; L143-F151 HydrophobicContact CD1-CD2 4.25Å; L143-F151 HydrophobicContact CD1-CG 4.29Å
144	G	89.3	Confident	88.3	Confident	50 Å²	50	56.3 Å²	56.3	52%	0.515	32%	0.315	S	S	.	.			trans	-67.3	174	164.5	0	0	0	0	0	112.2	T142 F146 G147 R148	T142-G144 PolarHBondContact O-N 2.89Å; G144-F146 VanDerWaalsContact C-N 3.31Å; G144-F146 PolarHBondContact O-N 3.31Å; G144-F146 VanDerWaalsContact O-N 3.16Å; G144-G147 WeakPolarHBondContact O-CA 3.24Å; G144-G147 PolarHBondContact O-N 3.35Å; G144-R148 PolarHBondContact O-N 2.99Å
145	D	89.4	Confident	88.3	Confident	89 Å²	89	57.5 Å²	57.5	48%	0.476	32%	0.321	S	S	.	.	H	α-helix	trans	-50.1	-46.2	-174.1	-72.4	-15.5	0	0	0	113.7	H131 G147 R148 K149	H131-D145 IonicContact CE1-OD1 2.99Å; H131-D145 IonicContact NE2-OD1 3.33Å; D145-G147 VanDerWaalsContact C-N 3.34Å; D145-G147 PolarHBondContact O-N 3.28Å; D145-R148 PolarHBondContact O-N 3.21Å; D145-K149 WeakPolarHBondContact O-CG 3.47Å; D145-K149 PolarHBondContact O-N 2.97Å
146	F	91.9	Very high	88.6	Confident	169 Å²	169	57 Å²	57	74%	0.741	32%	0.317	S	S	*	.	H	α-helix	trans	-62.9	-40.7	177.6	179.9	-95.1	0	0	0	112.5	G144 T150	G144-F146 VanDerWaalsContact C-N 3.31Å; G144-F146 PolarHBondContact O-N 3.31Å; G144-F146 VanDerWaalsContact O-N 3.16Å; F146-T150 WeakPolarHBondContact O-CB 3.38Å; F146-T150 PolarHBondContact O-N 3.3Å; F146-T150 PolarHBondContact O-OG1 3.4Å
147	G	92.5	Very high	88.4	Confident	21 Å²	21	59.6 Å²	59.6	22%	0.216	33%	0.334	C	S	.	.	H	α-helix	trans	-63.5	-45.2	177	0	0	0	0	0	111.4	G144 D145 T150 F151	G144-G147 WeakPolarHBondContact O-CA 3.24Å; G144-G147 PolarHBondContact O-N 3.35Å; D145-G147 VanDerWaalsContact C-N 3.34Å; D145-G147 PolarHBondContact O-N 3.28Å; G147-T150 PolarHBondContact O-N 3.29Å; G147-F151 WeakPolarHBondContact O-CB 3.5Å; G147-F151 PolarHBondContact O-N 3.48Å
148	R	93	Very high	88.2	Confident	44 Å²	44	64 Å²	64	17%	0.166	37%	0.37	C	S	.	.	H	α-helix	trans	-61.1	-47.1	177.1	-67.3	175.5	60.5	87.1	3.3	112.1	H131 M134 M139 L143 G144 D145 T150 F151 I152	H131-R148 PolarHBondContact O-NH2 3.31Å; M134-R148 PolarHBondContact O-NH2 3.45Å; M139-R148 VanDerWaalsContact CE-CZ 3.45Å; M139-R148 HydrophobicContact SD-CB 4.16Å; M139-R148 HydrophobicContact SD-CG 4.06Å; L143-R148 HydrophobicContact CB-CG 3.88Å; G144-R148 PolarHBondContact O-N 2.99Å; D145-R148 PolarHBondContact O-N 3.21Å; R148-T150 VanDerWaalsContact C-N 3.33Å; R148-T150 PolarHBondContact O-N 2.85Å; R148-F151 WeakPolarHBondContact O-CB 3.39Å; R148-F151 PolarHBondContact O-N 3.01Å; R148-I152 WeakPolarHBondContact O-CD1 3.4Å; R148-I152 WeakPolarHBondContact O-CG1 3.3Å; R148-I152 PolarHBondContact O-N 2.99Å
149	K	92.5	Very high	88.2	Confident	59 Å²	59	68.7 Å²	68.7	26%	0.257	40%	0.397	S	S	.	.	H	α-helix	trans	-59.1	-44.2	176.7	-70.1	178.3	-169.4	-154	0	111.8	M128 D129 D145 K153	M128-K149 HydrophobicContact CB-CD 4.18Å; M128-K149 HydrophobicContact CB-CG 4.41Å; M128-K149 WeakPolarHBondContact O-CE 3.48Å; M128-K149 PolarHBondContact O-NZ 3.3Å; M128-K149 HydrophobicContact SD-CB 3.81Å; M128-K149 HydrophobicContact SD-CG 4.02Å; D129-K149 IonicContact OD1-NZ 2.86Å; D145-K149 WeakPolarHBondContact O-CG 3.47Å; D145-K149 PolarHBondContact O-N 2.97Å; K149-K153 WeakPolarHBondContact O-CG 3.15Å; K149-K153 PolarHBondContact O-N 2.84Å
150	T	92.2	Very high	88.2	Confident	70 Å²	70	68.6 Å²	68.6	43%	0.429	40%	0.397	S	S	.	.	H	α-helix	trans	-64	-42.4	176.4	-58.6	0	0	0	0	111.4	F146 G147 R148 K153 S154	F146-T150 WeakPolarHBondContact O-CB 3.38Å; F146-T150 PolarHBondContact O-N 3.3Å; F146-T150 PolarHBondContact O-OG1 3.4Å; G147-T150 PolarHBondContact O-N 3.29Å; R148-T150 VanDerWaalsContact C-N 3.33Å; R148-T150 PolarHBondContact O-N 2.85Å; T150-K153 PolarHBondContact O-N 3.18Å; T150-S154 PolarHBondContact O-N 3.36Å
151	F	92.9	Very high	88.8	Confident	39 Å²	39	71 Å²	71	17%	0.171	40%	0.402	C	S	.	.	H	α-helix	trans	-59.9	-49.8	176.9	-175.4	-88.1	0	0	0	111.6	I136 F138 M139 L143 G147 R148 K153 S154 L155	I136-F151 HydrophobicContact CD1-CD1 4.39Å; I136-F151 HydrophobicContact CD1-CE1 4.28Å; I136-F151 HydrophobicContact CG2-CE1 4.15Å; F138-F151 HydrophobicContact CD2-CE1 4.31Å; F138-F151 AromaticContact CD2-CZ 3.67Å; F138-F151 HydrophobicContact CD2-CZ 3.67Å; F138-F151 HydrophobicContact CE2-CE1 4.1Å; F138-F151 AromaticContact CE2-CZ 3.79Å; F138-F151 HydrophobicContact CE2-CZ 3.79Å; M139-F151 HydrophobicContact CB-CD1 3.82Å; M139-F151 HydrophobicContact CB-CE1 3.49Å; M139-F151 VanDerWaalsContact CB-CE1 3.49Å; M139-F151 HydrophobicContact CB-CG 4.46Å; M139-F151 HydrophobicContact CB-CZ 3.87Å; M139-F151 HydrophobicContact CG-CB 4.46Å; M139-F151 HydrophobicContact CG-CD1 3.57Å; M139-F151 HydrophobicContact CG-CD2 4.37Å; M139-F151 HydrophobicContact CG-CE1 3.8Å; M139-F151 HydrophobicContact CG-CG 3.88Å; M139-F151 HydrophobicContact CG-CZ 4.28Å; M139-F151 HydrophobicContact SD-CB 4.26Å; M139-F151 HydrophobicContact SD-CD1 3.61Å; M139-F151 HydrophobicContact SD-CE1 4.25Å; M139-F151 HydrophobicContact SD-CG 4.11Å; L143-F151 HydrophobicContact CD1-CB 4.01Å; L143-F151 HydrophobicContact CD1-CD2 4.25Å; L143-F151 HydrophobicContact CD1-CG 4.29Å; G147-F151 WeakPolarHBondContact O-CB 3.5Å; G147-F151 PolarHBondContact O-N 3.48Å; R148-F151 WeakPolarHBondContact O-CB 3.39Å; R148-F151 PolarHBondContact O-N 3.01Å; F151-K153 VanDerWaalsContact C-N 3.29Å; F151-K153 PolarHBondContact O-N 3.24Å; F151-S154 WeakPolarHBondContact O-CA 3.42Å; F151-S154 WeakPolarHBondContact O-CB 3.41Å; F151-S154 PolarHBondContact O-N 3.16Å; F151-S154 PolarHBondContact O-OG 3.04Å; F151-L155 HydrophobicContact CD1-CD2 4.39Å; F151-L155 HydrophobicContact CE1-CD2 3.81Å; F151-L155 HydrophobicContact CE1-CG 4.45Å; F151-L155 HydrophobicContact CZ-CD2 4.27Å; F151-L155 PolarHBondContact O-N 3.38Å
152	I	92.5	Very high	89.6	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.005	37%	0.374	C	S	.	.	H	α-helix	trans	-57.2	-42.6	178	-69.2	156.6	0	0	0	111.5	L127 M128 H131 M134 I136 R148 S154 L155 L167	L127-I152 HydrophobicContact CD2-CG2 4.4Å; M128-I152 HydrophobicContact CE-CG2 4.23Å; H131-I152 HydrophobicContact CB-CD1 3.69Å; M134-I152 HydrophobicContact CE-CD1 3.51Å; M134-I152 HydrophobicContact CE-CG1 4.23Å; M134-I152 HydrophobicContact CE-CG2 4.27Å; I136-I152 HydrophobicContact CD1-CG1 4Å; R148-I152 WeakPolarHBondContact O-CD1 3.4Å; R148-I152 WeakPolarHBondContact O-CG1 3.3Å; R148-I152 PolarHBondContact O-N 2.99Å; I152-S154 VanDerWaalsContact C-N 3.3Å; I152-S154 PolarHBondContact O-N 2.88Å; I152-L155 WeakPolarHBondContact O-CB 3.47Å; I152-L155 WeakPolarHBondContact O-CG 3.46Å; I152-L155 PolarHBondContact O-N 3.48Å; I152-L167 HydrophobicContact CG2-CD2 4.49Å
153	K	92	Very high	90.2	Very high	101 Å²	101	59.4 Å²	59.4	44%	0.439	34%	0.335	S	S	.	.	H	α-helix	trans	-64	-36.5	175.7	-71.9	-178.2	178.2	-176.9	0	112.3	M128 K149 T150 F151 L155 F156 L164	M128-K153 HydrophobicContact CE-CD 4.26Å; M128-K153 HydrophobicContact CE-CG 3.61Å; M128-K153 HydrophobicContact SD-CD 4.42Å; M128-K153 HydrophobicContact SD-CG 4.22Å; K149-K153 WeakPolarHBondContact O-CG 3.15Å; K149-K153 PolarHBondContact O-N 2.84Å; T150-K153 PolarHBondContact O-N 3.18Å; F151-K153 VanDerWaalsContact C-N 3.29Å; F151-K153 PolarHBondContact O-N 3.24Å; K153-L155 PolarHBondContact O-N 2.84Å; K153-F156 PolarHBondContact O-N 3.49Å; K153-L164 HydrophobicContact CG-CD1 4.41Å
154	S	91.3	Very high	90.7	Very high	82 Å²	82	57.4 Å²	57.4	57%	0.573	32%	0.324	S	S	*	.	H	α-helix	trans	-69.5	-15.5	-179.2	76.3	0	0	0	0	114.3	T150 F151 I152 F156	T150-S154 PolarHBondContact O-N 3.36Å; F151-S154 WeakPolarHBondContact O-CA 3.42Å; F151-S154 WeakPolarHBondContact O-CB 3.41Å; F151-S154 PolarHBondContact O-N 3.16Å; F151-S154 PolarHBondContact O-OG 3.04Å; I152-S154 VanDerWaalsContact C-N 3.3Å; I152-S154 PolarHBondContact O-N 2.88Å; S154-F156 PolarHBondContact O-N 2.93Å
155	L	89.9	Confident	91	Very high	27 Å²	27	58.7 Å²	58.7	14%	0.141	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-21.7	174.3	-59.4	172.1	0	0	0	112.7	I136 F138 F151 I152 K153 V195	I136-L155 HydrophobicContact CD1-CD1 3.76Å; F138-L155 HydrophobicContact CE2-CD2 3.62Å; F138-L155 HydrophobicContact CZ-CD2 3.92Å; F151-L155 HydrophobicContact CD1-CD2 4.39Å; F151-L155 HydrophobicContact CE1-CD2 3.81Å; F151-L155 HydrophobicContact CE1-CG 4.45Å; F151-L155 HydrophobicContact CZ-CD2 4.27Å; F151-L155 PolarHBondContact O-N 3.38Å; I152-L155 WeakPolarHBondContact O-CB 3.47Å; I152-L155 WeakPolarHBondContact O-CG 3.46Å; I152-L155 PolarHBondContact O-N 3.48Å; K153-L155 PolarHBondContact O-N 2.84Å; L155-V195 HydrophobicContact CD1-CG2 4.37Å; L155-V195 HydrophobicContact CD2-CG2 4.49Å
156	F	91.7	Very high	91.2	Very high	11 Å²	11	54.4 Å²	54.4	5%	0.048	29%	0.291	C	S	.	.	S	Bend	trans	-121.8	156.3	-174.7	-49.8	-70.9	0	0	0	110.5	L60 Y62 K153 S154 V163 L164 L167 V195	L60-F156 HydrophobicContact CD2-CE1 4.4Å; L60-F156 HydrophobicContact CD2-CZ 3.96Å; Y62-F156 HydrophobicContact CD1-CD1 4.01Å; Y62-F156 AromaticContact CD1-CE1 3.94Å; Y62-F156 HydrophobicContact CD1-CE1 3.94Å; Y62-F156 AromaticContact CD2-CD1 3.72Å; Y62-F156 HydrophobicContact CD2-CD1 3.72Å; Y62-F156 HydrophobicContact CD2-CE1 4.27Å; Y62-F156 HydrophobicContact CE1-CD1 4.33Å; Y62-F156 HydrophobicContact CE2-CD1 4.04Å; Y62-F156 AromaticContact CG-CD1 3.7Å; Y62-F156 HydrophobicContact CG-CD1 3.7Å; Y62-F156 AromaticContact CG-CE1 3.77Å; Y62-F156 HydrophobicContact CG-CE1 3.77Å; K153-F156 PolarHBondContact O-N 3.49Å; S154-F156 PolarHBondContact O-N 2.93Å; F156-V163 HydrophobicContact CD1-CG1 3.5Å; F156-V163 VanDerWaalsContact CD1-CG1 3.5Å; F156-V163 HydrophobicContact CD2-CG1 4.49Å; F156-V163 HydrophobicContact CE1-CG1 3.74Å; F156-V163 HydrophobicContact CG-CG1 3.9Å; F156-V163 HydrophobicContact CZ-CG1 4.33Å; F156-L164 HydrophobicContact CD2-CD2 3.53Å; F156-L164 HydrophobicContact CD2-CG 4.37Å; F156-L164 HydrophobicContact CE2-CD2 3.92Å; F156-L167 HydrophobicContact CE2-CD2 3.73Å; F156-L167 HydrophobicContact CZ-CD2 3.83Å; F156-V195 HydrophobicContact CE1-CG1 4.22Å
157	P	86	Confident	91.4	Very high	59 Å²	59	46.4 Å²	46.4	38%	0.383	26%	0.256	S	S	.	.			trans	-56.4	143.4	175	-22.9	32.8	0	0	0	111.7	Y62 P64 N159 S160	Y62-P157 HydrophobicContact CE2-CG 4.41Å; P64-P157 HydrophobicContact CB-CG 4.32Å; P64-P157 HydrophobicContact CG-CG 4.27Å; P157-N159 PolarHBondContact O-N 3.04Å; P157-S160 WeakPolarHBondContact O-CB 3.33Å; P157-S160 PolarHBondContact O-N 2.91Å
158	A	80.1	Confident	91.5	Very high	103 Å²	103	45.4 Å²	45.4	85%	0.851	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-22.1	-171.5	0	0	0	0	0	115.3
159	N	81.4	Confident	91.6	Very high	141 Å²	141	43.3 Å²	43.3	75%	0.754	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.9	6.5	-179.6	-67.3	-28.6	0	0	0	113.9	P157 K161	P157-N159 PolarHBondContact O-N 3.04Å; N159-K161 VanDerWaalsContact C-N 3.33Å; N159-K161 PolarHBondContact O-N 3.47Å; N159-K161 VanDerWaalsContact O-N 3.12Å
160	S	89	Confident	91.6	Very high	5 Å²	5	40.5 Å²	40.5	4%	0.035	23%	0.225	C	C	.	.			trans	-88.8	62.9	-176.5	-63.2	0	0	0	0	113	D65 P157 V163 L164	D65-S160 VanDerWaalsContact OD1-C 3.31Å; D65-S160 VanDerWaalsContact OD1-CA 3.27Å; D65-S160 WeakPolarHBondContact OD1-CA 3.46Å; D65-S160 WeakPolarHBondContact OD2-CA 3.34Å; P157-S160 WeakPolarHBondContact O-CB 3.33Å; P157-S160 PolarHBondContact O-N 2.91Å; S160-V163 PolarHBondContact O-N 3.02Å; S160-L164 PolarHBondContact O-N 3.27Å
161	K	93.2	Very high	91.6	Very high	113 Å²	113	37.2 Å²	37.2	49%	0.491	21%	0.205	S	C	.	.	H	α-helix	trans	-67.1	-34.6	-179.4	-67.2	-174.5	-179	-178.4	0	112.4	D65 E124 N159 L164 R165	D65-K161 PolarHBondContact OD2-N 2.75Å; E124-K161 WeakPolarHBondContact OE1-CB 3.42Å; N159-K161 VanDerWaalsContact C-N 3.33Å; N159-K161 PolarHBondContact O-N 3.47Å; N159-K161 VanDerWaalsContact O-N 3.12Å; K161-L164 PolarHBondContact O-N 3.26Å; K161-R165 VanDerWaalsContact O-CG 3.29Å; K161-R165 WeakPolarHBondContact O-CG 3.25Å; K161-R165 PolarHBondContact O-N 3.08Å; K161-R165 VanDerWaalsContact O-N 3.08Å
162	L	93.7	Very high	91.5	Very high	9 Å²	9	36.9 Å²	36.9	5%	0.047	20%	0.203	C	C	.	.	H	α-helix	trans	-70.2	-36.7	179.5	-55.7	179.2	0	0	0	111.4	C42 A44 K47 D65 R165 A166	C42-L162 HydrophobicContact CB-CB 4.2Å; C42-L162 WeakPolarHBondContact CB-O 3.2Å; A44-L162 HydrophobicContact CB-CD2 3.74Å; K47-L162 HydrophobicContact CB-CD1 3.63Å; K47-L162 VanDerWaalsContact O-CD1 3.31Å; K47-L162 WeakPolarHBondContact O-CD1 3.36Å; D65-L162 WeakPolarHBondContact OD1-CB 3.41Å; D65-L162 PolarHBondContact OD1-N 2.94Å; D65-L162 VanDerWaalsContact OD1-N 3.16Å; D65-L162 WeakPolarHBondContact OD2-CB 3.3Å; D65-L162 WeakPolarHBondContact OD2-CG 3.04Å; D65-L162 PolarHBondContact OD2-N 3.46Å; L162-R165 PolarHBondContact O-N 3.29Å; L162-A166 WeakPolarHBondContact O-CB 3.31Å; L162-A166 PolarHBondContact O-N 2.62Å
163	V	94.4	Very high	91.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.5	-47	171.2	174.7	0	0	0	0	111.5	V51 Y62 M63 D65 F156 S160 R165 A166 L167	V51-V163 HydrophobicContact CG1-CG1 3.78Å; Y62-V163 HydrophobicContact CD2-CG1 4.21Å; Y62-V163 HydrophobicContact CD2-CG2 4.49Å; Y62-V163 HydrophobicContact CG-CG1 4.43Å; M63-V163 WeakPolarHBondContact O-CG2 3.48Å; D65-V163 WeakPolarHBondContact OD1-CG2 3.22Å; D65-V163 PolarHBondContact OD1-N 3.15Å; F156-V163 HydrophobicContact CD1-CG1 3.5Å; F156-V163 VanDerWaalsContact CD1-CG1 3.5Å; F156-V163 HydrophobicContact CD2-CG1 4.49Å; F156-V163 HydrophobicContact CE1-CG1 3.74Å; F156-V163 HydrophobicContact CG-CG1 3.9Å; F156-V163 HydrophobicContact CZ-CG1 4.33Å; S160-V163 PolarHBondContact O-N 3.02Å; V163-R165 VanDerWaalsContact C-N 3.29Å; V163-R165 PolarHBondContact O-N 3.03Å; V163-A166 WeakPolarHBondContact O-CB 3.42Å; V163-A166 PolarHBondContact O-N 3.4Å; V163-L167 PolarHBondContact O-N 3.18Å
164	L	95.4	Very high	91.1	Very high	13 Å²	13	33.8 Å²	33.8	7%	0.068	19%	0.189	C	C	.	.	H	α-helix	trans	-60.8	-39	176.9	-70.4	172.7	0	0	0	111.9	E124 L127 K153 F156 S160 K161 L167 S168	E124-L164 HydrophobicContact CG-CB 4.05Å; E124-L164 HydrophobicContact CG-CD1 4.42Å; L127-L164 HydrophobicContact CD2-CB 4.22Å; L127-L164 HydrophobicContact CD2-CD2 3.87Å; L127-L164 WeakPolarHBondContact CD2-O 3.29Å; K153-L164 HydrophobicContact CG-CD1 4.41Å; F156-L164 HydrophobicContact CD2-CD2 3.53Å; F156-L164 HydrophobicContact CD2-CG 4.37Å; F156-L164 HydrophobicContact CE2-CD2 3.92Å; S160-L164 PolarHBondContact O-N 3.27Å; K161-L164 PolarHBondContact O-N 3.26Å; L164-L167 PolarHBondContact O-N 3.21Å; L164-S168 WeakPolarHBondContact O-CB 3.35Å; L164-S168 PolarHBondContact O-N 3.36Å
165	R	95.5	Very high	90.6	Very high	76 Å²	76	31.1 Å²	31.1	29%	0.287	17%	0.169	S	C	.	.	H	α-helix	trans	-69.6	-35.8	176.2	-67.6	171.2	-165.8	-174.4	-1.4	112.6	C42 Y122 E124 K161 L162 V163 S168 G169	C42-R165 HydrophobicContact CB-CB 4.19Å; Y122-R165 HydrophobicContact CD1-CB 4.43Å; Y122-R165 VanDerWaalsContact CD1-O 3.27Å; Y122-R165 WeakPolarHBondContact CD1-O 3.49Å; Y122-R165 WeakPolarHBondContact O-CG 3.36Å; E124-R165 HydrophobicContact CG-CG 4.15Å; E124-R165 IonicContact OE1-CZ 3.73Å; E124-R165 IonicContact OE1-NE 3.65Å; E124-R165 PolarHBondContact OE1-NE 2.88Å; E124-R165 IonicContact OE1-NH2 3.57Å; E124-R165 PolarHBondContact OE1-NH2 2.92Å; K161-R165 VanDerWaalsContact O-CG 3.29Å; K161-R165 WeakPolarHBondContact O-CG 3.25Å; K161-R165 PolarHBondContact O-N 3.08Å; K161-R165 VanDerWaalsContact O-N 3.08Å; L162-R165 PolarHBondContact O-N 3.29Å; V163-R165 VanDerWaalsContact C-N 3.29Å; V163-R165 PolarHBondContact O-N 3.03Å; R165-S168 VanDerWaalsContact O-CB 3.25Å; R165-S168 WeakPolarHBondContact O-CB 3.42Å; R165-S168 PolarHBondContact O-N 3.11Å; R165-G169 PolarHBondContact O-N 2.83Å
166	A	94.9	Very high	90	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.2	-45.7	172.1	0	0	0	0	0	110.7	S40 C42 V51 L162 V163 S168 G169 L170	S40-A166 VanDerWaalsContact CB-O 3.23Å; S40-A166 WeakPolarHBondContact CB-O 3.5Å; S40-A166 VanDerWaalsContact OG-C 3.32Å; S40-A166 VanDerWaalsContact OG-CA 3.29Å; S40-A166 WeakPolarHBondContact OG-CA 3.48Å; S40-A166 PolarHBondContact OG-O 3.46Å; C42-A166 HydrophobicContact CB-CB 4.17Å; V51-A166 HydrophobicContact CG2-CB 4.05Å; L162-A166 WeakPolarHBondContact O-CB 3.31Å; L162-A166 PolarHBondContact O-N 2.62Å; V163-A166 WeakPolarHBondContact O-CB 3.42Å; V163-A166 PolarHBondContact O-N 3.4Å; A166-S168 PolarHBondContact O-N 2.69Å; A166-G169 PolarHBondContact O-N 3.11Å; A166-L170 PolarHBondContact O-N 2.86Å
167	L	95.9	Very high	88.7	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-57	-40	173	-177.2	59.8	0	0	0	112.2	V51 L60 L127 M134 I152 F156 V163 L164 L170 L171 L190	V51-L167 HydrophobicContact CG1-CB 4.27Å; V51-L167 HydrophobicContact CG2-CB 4.45Å; L60-L167 HydrophobicContact CD1-CD1 4.18Å; L60-L167 HydrophobicContact CD2-CD1 3.85Å; L60-L167 HydrophobicContact CD2-CD2 4.5Å; L127-L167 HydrophobicContact CD1-CD2 4.11Å; L127-L167 HydrophobicContact CD1-CG 3.92Å; L127-L167 HydrophobicContact CD2-CB 4.32Å; L127-L167 HydrophobicContact CD2-CD2 4.01Å; L127-L167 HydrophobicContact CD2-CG 4.28Å; M134-L167 HydrophobicContact SD-CD2 4.46Å; I152-L167 HydrophobicContact CG2-CD2 4.49Å; F156-L167 HydrophobicContact CE2-CD2 3.73Å; F156-L167 HydrophobicContact CZ-CD2 3.83Å; V163-L167 PolarHBondContact O-N 3.18Å; L164-L167 PolarHBondContact O-N 3.21Å; L167-L170 HydrophobicContact CD1-CD2 4.28Å; L167-L170 WeakPolarHBondContact O-CB 3.01Å; L167-L170 PolarHBondContact O-N 2.78Å; L167-L171 WeakPolarHBondContact O-CB 3.42Å; L167-L171 PolarHBondContact O-N 3.03Å; L167-L190 HydrophobicContact CD1-CD2 4.11Å
168	S	94.9	Very high	87.1	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58.7	-46.4	173.5	-167	0	0	0	0	112.8	Y121 S123 F126 L127 L164 R165 A166 L170 L171 Y172	Y121-S168 CarbonylContact O-C 3.42Å; Y121-S168 VanDerWaalsContact O-CB 3.23Å; Y121-S168 WeakPolarHBondContact O-CB 3.5Å; Y121-S168 PolarHBondContact O-OG 2.83Å; S123-S168 WeakPolarHBondContact O-CB 3.33Å; S123-S168 PolarHBondContact O-OG 3.39Å; F126-S168 VanDerWaalsContact CD1-OG 3.31Å; F126-S168 WeakPolarHBondContact CD1-OG 3.49Å; L127-S168 PolarHBondContact N-OG 3.45Å; L164-S168 WeakPolarHBondContact O-CB 3.35Å; L164-S168 PolarHBondContact O-N 3.36Å; R165-S168 VanDerWaalsContact O-CB 3.25Å; R165-S168 WeakPolarHBondContact O-CB 3.42Å; R165-S168 PolarHBondContact O-N 3.11Å; A166-S168 PolarHBondContact O-N 2.69Å; S168-L170 PolarHBondContact O-N 3.03Å; S168-L171 PolarHBondContact O-N 2.63Å; S168-Y172 PolarHBondContact O-N 3.39Å
169	G	93.7	Very high	85.5	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.3	-39.7	177.4	0	0	0	0	0	113.1	Y122 R165 A166 R173	Y122-G169 VanDerWaalsContact CE2-CA 3.44Å; R165-G169 PolarHBondContact O-N 2.83Å; A166-G169 PolarHBondContact O-N 3.11Å; G169-R173 PolarHBondContact O-N 3.21Å; G169-R173 VanDerWaalsContact O-N 3.15Å
170	L	93.6	Very high	83.7	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.4	-49.7	171.3	175.7	66.2	0	0	0	111.2	Y38 V51 W53 L60 L88 A166 L167 S168 Y172 R173 L174	Y38-L170 HydrophobicContact CG-CD1 4.26Å; V51-L170 HydrophobicContact CG2-CB 4.3Å; V51-L170 HydrophobicContact CG2-CD2 4.17Å; W53-L170 HydrophobicContact CB-CD1 4.29Å; W53-L170 HydrophobicContact CB-CD2 3.5Å; W53-L170 VanDerWaalsContact CB-CD2 3.5Å; W53-L170 HydrophobicContact CE3-CD1 4.28Å; W53-L170 HydrophobicContact CG-CD2 4.05Å; L60-L170 HydrophobicContact CD1-CD2 3.93Å; L88-L170 HydrophobicContact CD1-CB 4.31Å; L88-L170 HydrophobicContact CD1-CD1 3.84Å; A166-L170 PolarHBondContact O-N 2.86Å; L167-L170 HydrophobicContact CD1-CD2 4.28Å; L167-L170 WeakPolarHBondContact O-CB 3.01Å; L167-L170 PolarHBondContact O-N 2.78Å; S168-L170 PolarHBondContact O-N 3.03Å; L170-Y172 VanDerWaalsContact C-N 3.33Å; L170-Y172 PolarHBondContact O-N 2.86Å; L170-R173 WeakPolarHBondContact O-CB 3.26Å; L170-R173 PolarHBondContact O-N 3.44Å; L170-R173 VanDerWaalsContact O-N 3.11Å; L170-L174 HydrophobicContact CD1-CD1 4.13Å; L170-L174 HydrophobicContact CD1-CG 4.25Å; L170-L174 HydrophobicContact CG-CD1 4.13Å; L170-L174 WeakPolarHBondContact O-CG 3.47Å; L170-L174 PolarHBondContact O-N 3.34Å
171	L	92.3	Very high	81.4	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58.4	-46.5	-178.3	-169.6	64.2	0	0	0	111.4	L127 V133 M134 L167 S168 R173 L174 T175 L190	L127-L171 HydrophobicContact CD1-CD2 3.87Å; V133-L171 HydrophobicContact CG2-CD1 3.61Å; V133-L171 HydrophobicContact CG2-CD2 3.98Å; V133-L171 HydrophobicContact CG2-CG 3.96Å; M134-L171 HydrophobicContact CE-CD2 4.16Å; M134-L171 HydrophobicContact CG-CD1 3.6Å; M134-L171 HydrophobicContact CG-CD2 4.17Å; M134-L171 HydrophobicContact SD-CD1 4.21Å; M134-L171 HydrophobicContact SD-CD2 4.19Å; L167-L171 WeakPolarHBondContact O-CB 3.42Å; L167-L171 PolarHBondContact O-N 3.03Å; S168-L171 PolarHBondContact O-N 2.63Å; L171-R173 VanDerWaalsContact C-N 3.32Å; L171-R173 PolarHBondContact O-N 3.47Å; L171-L174 PolarHBondContact O-N 2.95Å; L171-T175 HydrophobicContact CG-CG2 4.39Å; L171-T175 VanDerWaalsContact O-CG2 3.24Å; L171-T175 WeakPolarHBondContact O-CG2 3.26Å; L171-T175 PolarHBondContact O-N 2.94Å; L171-T175 PolarHBondContact O-OG1 3.26Å; L171-L190 HydrophobicContact CD1-CB 3.85Å; L171-L190 HydrophobicContact CD1-CD2 3.93Å
172	Y	91.1	Very high	78.9	Confident	32 Å²	32	45.8 Å²	45.8	13%	0.125	22%	0.224	C	C	.	.	H	α-helix	trans	-58.3	-43.2	175.8	172.3	-100.9	0	0	0	112.4	I117 Y121 F126 S168 L170 L174 T175 R176	I117-Y172 HydrophobicContact CD1-CD1 4.15Å; I117-Y172 HydrophobicContact CD1-CE1 4.3Å; I117-Y172 HydrophobicContact CG2-CD1 3.57Å; I117-Y172 HydrophobicContact CG2-CE1 4.01Å; I117-Y172 HydrophobicContact CG2-CG 4.49Å; Y121-Y172 AromaticContact CD1-CD2 3.34Å; Y121-Y172 HydrophobicContact CD1-CD2 3.34Å; Y121-Y172 AromaticContact CD1-CE2 3.7Å; Y121-Y172 HydrophobicContact CD1-CE2 3.7Å; Y121-Y172 AromaticContact CD1-CG 3.88Å; Y121-Y172 HydrophobicContact CD1-CG 3.88Å; Y121-Y172 HydrophobicContact CD2-CD1 4.05Å; Y121-Y172 AromaticContact CD2-CD2 3.89Å; Y121-Y172 HydrophobicContact CD2-CD2 3.89Å; Y121-Y172 AromaticContact CD2-CE1 3.85Å; Y121-Y172 HydrophobicContact CD2-CE1 3.85Å; Y121-Y172 AromaticContact CD2-CE2 3.69Å; Y121-Y172 HydrophobicContact CD2-CE2 3.69Å; Y121-Y172 HydrophobicContact CD2-CG 4.05Å; Y121-Y172 AromaticContact CD2-CZ 3.64Å; Y121-Y172 AromaticContact CE1-CD2 3.55Å; Y121-Y172 HydrophobicContact CE1-CD2 3.55Å; Y121-Y172 AromaticContact CE1-CE2 3.46Å; Y121-Y172 HydrophobicContact CE1-CE2 3.46Å; Y121-Y172 VanDerWaalsContact CE1-CE2 3.46Å; Y121-Y172 HydrophobicContact CE1-CG 4.48Å; Y121-Y172 HydrophobicContact CE2-CD2 4.08Å; Y121-Y172 HydrophobicContact CE2-CE1 4.13Å; Y121-Y172 AromaticContact CE2-CE2 3.46Å; Y121-Y172 HydrophobicContact CE2-CE2 3.46Å; Y121-Y172 VanDerWaalsContact CE2-CE2 3.46Å; Y121-Y172 AromaticContact CE2-CZ 3.46Å; Y121-Y172 VanDerWaalsContact CE2-CZ 3.46Å; Y121-Y172 HydrophobicContact CG-CD1 4.05Å; Y121-Y172 AromaticContact CG-CD2 3.51Å; Y121-Y172 HydrophobicContact CG-CD2 3.51Å; Y121-Y172 HydrophobicContact CG-CE1 4.29Å; Y121-Y172 AromaticContact CG-CE2 3.8Å; Y121-Y172 HydrophobicContact CG-CE2 3.8Å; Y121-Y172 AromaticContact CG-CG 3.64Å; Y121-Y172 HydrophobicContact CG-CG 3.64Å; Y121-Y172 AromaticContact CZ-CD2 3.91Å; Y121-Y172 AromaticContact CZ-CE2 3.32Å; Y121-Y172 AromaticContact CZ-CZ 3.83Å; F126-Y172 HydrophobicContact CE1-CD2 4.45Å; F126-Y172 AromaticContact CZ-CD2 3.93Å; F126-Y172 HydrophobicContact CZ-CD2 3.93Å; F126-Y172 HydrophobicContact CZ-CG 4.49Å; S168-Y172 PolarHBondContact O-N 3.39Å; L170-Y172 VanDerWaalsContact C-N 3.33Å; L170-Y172 PolarHBondContact O-N 2.86Å; Y172-L174 VanDerWaalsContact C-N 3.27Å; Y172-L174 PolarHBondContact O-N 3.44Å; Y172-T175 WeakPolarHBondContact CA-OG1 3.17Å; Y172-T175 PolarHBondContact O-N 3.36Å; Y172-T175 PolarHBondContact O-OG1 2.95Å; Y172-R176 WeakPolarHBondContact O-CB 3.35Å; Y172-R176 PolarHBondContact O-N 3.26Å
173	R	88.8	Confident	76.3	Confident	22 Å²	22	48.8 Å²	48.8	8%	0.083	24%	0.239	C	C	.	.	H	α-helix	trans	-61.3	-39.7	178.8	173	62.1	-177.6	86	-9.1	111.8	L88 E115 I117 G169 L170 L171 N177	L88-R173 HydrophobicContact CD1-CB 3.59Å; L88-R173 HydrophobicContact CD1-CG 3.77Å; L88-R173 HydrophobicContact CD2-CB 4.16Å; L88-R173 HydrophobicContact CD2-CG 3.67Å; L88-R173 HydrophobicContact CG-CB 4.5Å; L88-R173 HydrophobicContact CG-CG 4.38Å; E115-R173 IonicContact OE1-CZ 3Å; E115-R173 IonicContact OE1-NE 2.66Å; E115-R173 PolarHBondContact OE1-NE 3.45Å; E115-R173 IonicContact OE1-NH2 3.87Å; E115-R173 PolarHBondContact OE1-NH2 2.87Å; E115-R173 WeakPolarHBondContact OE2-CD 3.43Å; E115-R173 IonicContact OE2-CZ 3.59Å; E115-R173 IonicContact OE2-NE 3.59Å; E115-R173 PolarHBondContact OE2-NE 3.4Å; E115-R173 IonicContact OE2-NH2 2.76Å; I117-R173 HydrophobicContact CD1-CB 4.32Å; G169-R173 PolarHBondContact O-N 3.21Å; G169-R173 VanDerWaalsContact O-N 3.15Å; L170-R173 WeakPolarHBondContact O-CB 3.26Å; L170-R173 PolarHBondContact O-N 3.44Å; L170-R173 VanDerWaalsContact O-N 3.11Å; L171-R173 VanDerWaalsContact C-N 3.32Å; L171-R173 PolarHBondContact O-N 3.47Å; R173-N177 PolarHBondContact NH1-ND2 3.45Å; R173-N177 PolarHBondContact NH1-OD1 2.9Å
174	L	86.5	Confident	73.6	Confident	16 Å²	16	53.8 Å²	53.8	8%	0.084	27%	0.27	C	S	.	.	H	α-helix	trans	-73.8	-37.6	179.2	-60.2	177.1	0	0	0	111.2	W53 L170 L171 Y172 N177 I189 L190	W53-L174 HydrophobicContact CD2-CD1 4.34Å; W53-L174 HydrophobicContact CE3-CD1 3.88Å; W53-L174 HydrophobicContact CE3-CD2 4.09Å; W53-L174 HydrophobicContact CH2-CD1 3.94Å; W53-L174 HydrophobicContact CH2-CD2 4.09Å; W53-L174 HydrophobicContact CZ2-CD1 4.39Å; W53-L174 HydrophobicContact CZ3-CD1 3.67Å; W53-L174 HydrophobicContact CZ3-CD2 3.43Å; W53-L174 VanDerWaalsContact CZ3-CD2 3.43Å; W53-L174 HydrophobicContact CZ3-CG 4.2Å; L170-L174 HydrophobicContact CD1-CD1 4.13Å; L170-L174 HydrophobicContact CD1-CG 4.25Å; L170-L174 HydrophobicContact CG-CD1 4.13Å; L170-L174 WeakPolarHBondContact O-CG 3.47Å; L170-L174 PolarHBondContact O-N 3.34Å; L171-L174 PolarHBondContact O-N 2.95Å; Y172-L174 VanDerWaalsContact C-N 3.27Å; Y172-L174 PolarHBondContact O-N 3.44Å; L174-N177 PolarHBondContact O-N 3.21Å; L174-I189 VanDerWaalsContact C-CG2 3.48Å; L174-I189 HydrophobicContact CB-CG2 3.67Å; L174-I189 WeakPolarHBondContact O-CG2 3.35Å; L174-L190 HydrophobicContact CD1-CB 4.14Å; L174-L190 HydrophobicContact CD1-CD1 3.73Å; L174-L190 HydrophobicContact CD1-CG 4.34Å
175	T	81.2	Confident	71.1	Confident	25 Å²	25	61.8 Å²	61.8	15%	0.153	31%	0.312	C	S	.	.	H	α-helix	trans	-69.3	-35	177.1	60.9	0	0	0	0	112.6	V133 L171 Y172 N177 A178 D179 I189	V133-T175 HydrophobicContact CG2-CG2 3.9Å; L171-T175 HydrophobicContact CG-CG2 4.39Å; L171-T175 VanDerWaalsContact O-CG2 3.24Å; L171-T175 WeakPolarHBondContact O-CG2 3.26Å; L171-T175 PolarHBondContact O-N 2.94Å; L171-T175 PolarHBondContact O-OG1 3.26Å; Y172-T175 WeakPolarHBondContact CA-OG1 3.17Å; Y172-T175 PolarHBondContact O-N 3.36Å; Y172-T175 PolarHBondContact O-OG1 2.95Å; T175-N177 PolarHBondContact O-N 2.84Å; T175-A178 WeakPolarHBondContact O-CA 3.46Å; T175-A178 VanDerWaalsContact O-CB 3.22Å; T175-A178 WeakPolarHBondContact O-CB 3.28Å; T175-A178 PolarHBondContact O-N 3.21Å; T175-D179 PolarHBondContact O-N 2.91Å; T175-I189 HydrophobicContact CG2-CD1 3.65Å; T175-I189 HydrophobicContact CG2-CG2 4.14Å
176	R	77.3	Confident	68.6	Low	102 Å²	102	65.4 Å²	65.4	39%	0.385	34%	0.337	S	S	.	.	H	α-helix	trans	-62	-30.6	178.1	-163.7	-179	76.6	-175	-4.4	112.8	E115 Y172 A178	E115-R176 IonicContact OE2-NH2 2.68Å; Y172-R176 WeakPolarHBondContact O-CB 3.35Å; Y172-R176 PolarHBondContact O-N 3.26Å; R176-A178 VanDerWaalsContact C-N 3.26Å; R176-A178 PolarHBondContact O-N 3.32Å
177	N	63.3	Low	66.8	Low	71 Å²	71	71.4 Å²	71.4	38%	0.38	37%	0.365	S	S	.	.	H	α-helix	trans	-73	-19.3	173.2	-84	7.2	0	0	0	113	R173 L174 T175	R173-N177 PolarHBondContact NH1-ND2 3.45Å; R173-N177 PolarHBondContact NH1-OD1 2.9Å; L174-N177 PolarHBondContact O-N 3.21Å; T175-N177 PolarHBondContact O-N 2.84Å
178	A	53.8	Low	65.3	Low	13 Å²	13	74.4 Å²	74.4	11%	0.107	38%	0.381	C	S	.	.	H	α-helix	trans	-78.5	-31.2	180	0	0	0	0	0	112.6	T175 R176 D180 L181 L183 I189	T175-A178 WeakPolarHBondContact O-CA 3.46Å; T175-A178 VanDerWaalsContact O-CB 3.22Å; T175-A178 WeakPolarHBondContact O-CB 3.28Å; T175-A178 PolarHBondContact O-N 3.21Å; R176-A178 VanDerWaalsContact C-N 3.26Å; R176-A178 PolarHBondContact O-N 3.32Å; A178-D180 VanDerWaalsContact C-N 3.27Å; A178-D180 PolarHBondContact O-N 2.81Å; A178-L181 PolarHBondContact O-N 3.14Å; A178-L183 HydrophobicContact CB-CD1 3.74Å; A178-I189 HydrophobicContact CB-CD1 3.88Å; A178-I189 HydrophobicContact CB-CG1 4.38Å
179	D	46.2	Very low	64.5	Low	138 Å²	138	76.6 Å²	76.6	74%	0.738	39%	0.392	S	S	*	.	H	α-helix	trans	-64.2	-30.7	177.3	-72.8	-30	0	0	0	112.4	T175 L181	T175-D179 PolarHBondContact O-N 2.91Å; D179-L181 VanDerWaalsContact C-N 3.26Å; D179-L181 PolarHBondContact O-N 2.82Å
180	D	43.8	Very low	64.1	Low	144 Å²	144	76.6 Å²	76.6	77%	0.77	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-12.1	172.8	-80.4	-22.6	0	0	0	113.3	A178	A178-D180 VanDerWaalsContact C-N 3.27Å; A178-D180 PolarHBondContact O-N 2.81Å
181	L	39.2	Very low	63.7	Low	120 Å²	120	77.5 Å²	77.5	63%	0.628	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	3.4	-169.5	-114.8	86.3	0	0	0	115.5	A178 D179 L183	A178-L181 PolarHBondContact O-N 3.14Å; D179-L181 VanDerWaalsContact C-N 3.26Å; D179-L181 PolarHBondContact O-N 2.82Å; L181-L183 HydrophobicContact CB-CD1 4.32Å; L181-L183 HydrophobicContact CB-CG 4.03Å; L181-L183 HydrophobicContact CD2-CD2 4.48Å; L181-L183 PolarHBondContact O-N 2.54Å; L181-L183 VanDerWaalsContact O-N 3.11Å
182	H	40.8	Very low	63.6	Low	180 Å²	180	77.6 Å²	77.6	83%	0.833	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.1	42	-175	-75.2	-64	0	0	0	112.8	T184	H182-T184 PolarHBondContact O-N 2.66Å
183	L	40.3	Very low	63.4	Low	71 Å²	71	76 Å²	76	37%	0.372	39%	0.391	S	S	.	.			trans	-65.3	111.8	177.8	-72.2	167.5	0	0	0	108.5	A178 L181 L185	A178-L183 HydrophobicContact CB-CD1 3.74Å; L181-L183 HydrophobicContact CB-CD1 4.32Å; L181-L183 HydrophobicContact CB-CG 4.03Å; L181-L183 HydrophobicContact CD2-CD2 4.48Å; L181-L183 PolarHBondContact O-N 2.54Å; L181-L183 VanDerWaalsContact O-N 3.11Å; L183-L185 PolarHBondContact O-N 3.06Å
184	T	37.7	Very low	63.3	Low	106 Å²	106	75.9 Å²	75.9	65%	0.65	39%	0.392	S	S	*	.			trans	-51.8	137.8	171.1	47.1	0	0	0	0	109.2	H182 N186 Q187	H182-T184 PolarHBondContact O-N 2.66Å; T184-N186 PolarHBondContact O-N 3.36Å; T184-Q187 PolarHBondContact O-N 2.89Å
185	L	41.5	Very low	63.4	Low	180 Å²	180	76.3 Å²	76.3	94%	0.942	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.8	-1.1	-174.5	-75.6	151.1	0	0	0	118.8	L183	L183-L185 PolarHBondContact O-N 3.06Å
186	N	44.1	Very low	63.7	Low	153 Å²	153	77.2 Å²	77.2	82%	0.818	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	9.7	-172.1	-73.2	-3.9	0	0	0	115.3	T184	T184-N186 PolarHBondContact O-N 3.36Å
187	Q	55.7	Low	64	Low	125 Å²	125	76.4 Å²	76.4	58%	0.584	40%	0.401	S	S	*	.	S	Bend	trans	-107.4	120.9	172.9	-69.7	-172.3	-7.2	0	0	110.7	T184 I189	T184-Q187 PolarHBondContact O-N 2.89Å; Q187-I189 PolarHBondContact O-N 3.11Å
188	N	66.1	Low	64.7	Low	65 Å²	65	74.4 Å²	74.4	35%	0.348	39%	0.39	S	S	.	.			trans	-59.7	134.6	171.1	-60.8	-50.9	0	0	0	108.9	S135 D191	S135-N188 VanDerWaalsContact CB-ND2 3.33Å; S135-N188 WeakPolarHBondContact CB-ND2 3.27Å; S135-N188 PolarHBondContact OG-ND2 3.19Å; N188-D191 VanDerWaalsContact CB-OD1 3.31Å; N188-D191 WeakPolarHBondContact CB-OD1 3.32Å
189	I	77.9	Confident	65.4	Low	45 Å²	45	79.9 Å²	79.9	23%	0.231	41%	0.413	C	S	.	.	S	Bend	trans	-89.2	-32.3	-176.3	-62.9	173.6	0	0	0	110.1	V133 L174 T175 A178 Q187	V133-I189 HydrophobicContact CB-CB 4.15Å; V133-I189 HydrophobicContact CB-CD1 3.96Å; V133-I189 HydrophobicContact CB-CG1 4.15Å; V133-I189 HydrophobicContact CG1-CD1 3.87Å; V133-I189 HydrophobicContact CG1-CG1 4.46Å; V133-I189 PolarHBondContact O-N 2.9Å; L174-I189 VanDerWaalsContact C-CG2 3.48Å; L174-I189 HydrophobicContact CB-CG2 3.67Å; L174-I189 WeakPolarHBondContact O-CG2 3.35Å; T175-I189 HydrophobicContact CG2-CD1 3.65Å; T175-I189 HydrophobicContact CG2-CG2 4.14Å; A178-I189 HydrophobicContact CB-CD1 3.88Å; A178-I189 HydrophobicContact CB-CG1 4.38Å; Q187-I189 PolarHBondContact O-N 3.11Å
190	L	85.4	Confident	66.1	Low	0 Å²	0	76.6 Å²	76.6	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	100.1	176.1	175.9	57.5	0	0	0	109.3	W53 V133 M134 S135 L167 L171 L174 I192	W53-L190 HydrophobicContact CD2-CD1 3.93Å; W53-L190 VanDerWaalsContact CE2-CD1 3.41Å; W53-L190 HydrophobicContact CG-CD1 4.16Å; W53-L190 HydrophobicContact CZ2-CD1 3.79Å; W53-L190 VanDerWaalsContact NE1-CD1 3.32Å; V133-L190 PolarHBondContact O-N 2.81Å; V133-L190 VanDerWaalsContact O-N 3.11Å; M134-L190 WeakPolarHBondContact CA-O 3.17Å; M134-L190 HydrophobicContact CG-CB 4.2Å; M134-L190 HydrophobicContact CG-CD2 4.08Å; M134-L190 HydrophobicContact CG-CG 4.42Å; M134-L190 HydrophobicContact SD-CD2 4.1Å; S135-L190 PolarHBondContact N-O 2.86Å; L167-L190 HydrophobicContact CD1-CD2 4.11Å; L171-L190 HydrophobicContact CD1-CB 3.85Å; L171-L190 HydrophobicContact CD1-CD2 3.93Å; L174-L190 HydrophobicContact CD1-CB 4.14Å; L174-L190 HydrophobicContact CD1-CD1 3.73Å; L174-L190 HydrophobicContact CD1-CG 4.34Å; L190-I192 HydrophobicContact CD1-CG1 4.11Å; L190-I192 HydrophobicContact CD2-CD1 4.05Å; L190-I192 HydrophobicContact CD2-CG1 4.42Å; L190-I192 HydrophobicContact CG-CD1 4.1Å; L190-I192 HydrophobicContact CG-CG1 3.95Å
191	D	85.6	Confident	66.6	Low	20 Å²	20	76.7 Å²	76.7	11%	0.107	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	125.6	168.5	-62.9	-56.2	0	0	0	110	H58 S135 N188 L307 T311	H58-D191 WeakPolarHBondContact CB-O 3.28Å; H58-D191 WeakPolarHBondContact ND1-CB 3.38Å; H58-D191 PolarHBondContact ND1-O 2.9Å; S135-D191 WeakPolarHBondContact CB-OD1 3.26Å; N188-D191 VanDerWaalsContact CB-OD1 3.31Å; N188-D191 WeakPolarHBondContact CB-OD1 3.32Å; D191-L307 HydrophobicContact CB-CD1 3.85Å; D191-T311 WeakPolarHBondContact OD2-CG2 3.28Å
192	I	89.5	Confident	67.6	Low	1 Å²	1	75.2 Å²	75.2	1%	0.005	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	115.1	177.7	-60.7	170.5	0	0	0	107.9	H58 L60 S135 I136 S137 L190 D194 V195	H58-I192 CarbonylContact O-C 3.43Å; H58-I192 WeakPolarHBondContact O-CA 3.4Å; L60-I192 HydrophobicContact CB-CD1 4.41Å; L60-I192 HydrophobicContact CB-CG1 4.44Å; L60-I192 HydrophobicContact CB-CG2 4.08Å; L60-I192 HydrophobicContact CD2-CD1 3.98Å; S135-I192 PolarHBondContact O-N 3.18Å; I136-I192 WeakPolarHBondContact CA-O 3.35Å; I136-I192 HydrophobicContact CG1-CB 4.18Å; I136-I192 HydrophobicContact CG1-CD1 4.18Å; S137-I192 PolarHBondContact N-O 3.47Å; S137-I192 VanDerWaalsContact N-O 3.08Å; S137-I192 PolarHBondContact OG-O 2.76Å; L190-I192 HydrophobicContact CD1-CG1 4.11Å; L190-I192 HydrophobicContact CD2-CD1 4.05Å; L190-I192 HydrophobicContact CD2-CG1 4.42Å; L190-I192 HydrophobicContact CG-CD1 4.1Å; L190-I192 HydrophobicContact CG-CG1 3.95Å; I192-D194 WeakPolarHBondContact CG2-O 3.23Å; I192-V195 HydrophobicContact CG2-CG2 3.69Å
193	V	86.6	Confident	68.7	Low	0 Å²	0	69.2 Å²	69.2	0%	0	35%	0.349	C	S	.	.	S	Bend	trans	-80.6	-41.5	174	170.6	0	0	0	0	110.7	H58 S137 Q303 I306 L307 L506	H58-V193 HydrophobicContact CB-CB 4.09Å; H58-V193 HydrophobicContact CB-CG2 3.6Å; H58-V193 PolarHBondContact O-N 3.44Å; S137-V193 VanDerWaalsContact OG-CA 3.25Å; S137-V193 WeakPolarHBondContact OG-CA 3.34Å; S137-V193 PolarHBondContact OG-O 3.01Å; V193-Q303 HydrophobicContact CG1-CG 4.4Å; V193-I306 HydrophobicContact CG1-CG2 4.27Å; V193-L307 HydrophobicContact CG2-CB 3.96Å; V193-L307 HydrophobicContact CG2-CD1 4.15Å; V193-L506 HydrophobicContact CG1-CD1 3.81Å; V193-L506 HydrophobicContact CG1-CD2 4.14Å
194	D	86.1	Confident	70	Confident	18 Å²	18	70.3 Å²	70.3	10%	0.096	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	155.2	-176.5	-162.3	19.2	0	0	0	111.7	I59 L60 I192 Q196 Q503 L506	I59-D194 HydrophobicContact CG1-CB 4.25Å; I59-D194 HydrophobicContact CG2-CB 4.46Å; L60-D194 PolarHBondContact N-O 3.4Å; I192-D194 WeakPolarHBondContact CG2-O 3.23Å; D194-Q196 WeakPolarHBondContact OD2-CG 3.19Å; D194-Q196 PolarHBondContact OD2-NE2 3.39Å; D194-Q503 PolarHBondContact OD1-NE2 2.72Å; D194-L506 HydrophobicContact CB-CD1 3.88Å
195	V	89	Confident	71.3	Confident	25 Å²	25	69.5 Å²	69.5	15%	0.152	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	119.9	174.9	-179.2	0	0	0	0	109	L60 Y62 F138 L155 F156 I192	L60-V195 HydrophobicContact CB-CG2 4.36Å; L60-V195 HydrophobicContact CD2-CG2 4.47Å; L60-V195 CarbonylContact O-C 3.53Å; L60-V195 VanDerWaalsContact O-CA 3.26Å; L60-V195 WeakPolarHBondContact O-CA 3.46Å; Y62-V195 HydrophobicContact CD1-CG1 3.73Å; Y62-V195 HydrophobicContact CE1-CG1 3.89Å; F138-V195 HydrophobicContact CE1-CG2 4.46Å; F138-V195 HydrophobicContact CZ-CB 4.37Å; F138-V195 HydrophobicContact CZ-CG2 3.91Å; L155-V195 HydrophobicContact CD1-CG2 4.37Å; L155-V195 HydrophobicContact CD2-CG2 4.49Å; F156-V195 HydrophobicContact CE1-CG1 4.22Å; I192-V195 HydrophobicContact CG2-CG2 3.69Å
196	Q	87.1	Confident	72.6	Confident	44 Å²	44	61.7 Å²	61.7	21%	0.206	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	143.1	-171.8	-66.7	-177.3	-2.8	0	0	112.1	I59 L60 Q61 Y62 D194 L198	I59-Q196 HydrophobicContact CG2-CB 4.27Å; I59-Q196 HydrophobicContact CG2-CG 3.88Å; L60-Q196 PolarHBondContact O-N 2.95Å; Q61-Q196 CarbonylContact C-O 3.53Å; Q61-Q196 WeakPolarHBondContact CA-O 3.35Å; Q61-Q196 HydrophobicContact CG-CB 3.97Å; Y62-Q196 VanDerWaalsContact CD1-O 3.22Å; Y62-Q196 WeakPolarHBondContact CD1-O 3.26Å; Y62-Q196 PolarHBondContact N-O 3.43Å; D194-Q196 WeakPolarHBondContact OD2-CG 3.19Å; D194-Q196 PolarHBondContact OD2-NE2 3.39Å; Q196-L198 PolarHBondContact O-N 2.9Å
197	L	83.4	Confident	73.6	Confident	86 Å²	86	57.8 Å²	57.8	45%	0.45	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	124.7	173.9	-178.2	68.1	0	0	0	110.2	Y62 P64 Q199	Y62-L197 HydrophobicContact CD2-CD1 4.45Å; Y62-L197 HydrophobicContact CE1-CB 4.46Å; Y62-L197 HydrophobicContact CE1-CD1 4.47Å; Y62-L197 HydrophobicContact CE2-CD1 3.87Å; P64-L197 HydrophobicContact CG-CD1 3.68Å; L197-Q199 HydrophobicContact CD2-CG 4.16Å; L197-Q199 HydrophobicContact CG-CG 4.34Å; L197-Q199 PolarHBondContact O-N 3.17Å
198	L	79.5	Confident	74	Confident	29 Å²	29	55.8 Å²	55.8	15%	0.152	27%	0.27	C	S	.	.			trans	-81.4	97.7	169.2	-167.8	72.5	0	0	0	108.8	L50 Q61 Y62 M63 W74 Q196	L50-L198 HydrophobicContact CD1-CD2 3.67Å; Q61-L198 HydrophobicContact CB-CB 4.46Å; Q61-L198 HydrophobicContact CB-CD1 4.48Å; Y62-L198 WeakPolarHBondContact O-CB 3.43Å; Y62-L198 PolarHBondContact O-N 3.38Å; M63-L198 HydrophobicContact CB-CB 4.47Å; W74-L198 HydrophobicContact CH2-CD2 3.78Å; W74-L198 HydrophobicContact CH2-CG 4.37Å; W74-L198 HydrophobicContact CZ2-CD2 3.92Å; W74-L198 HydrophobicContact CZ2-CG 4.08Å; Q196-L198 PolarHBondContact O-N 2.9Å
199	Q	67.5	Low	74.1	Confident	127 Å²	127	56 Å²	56	59%	0.593	28%	0.277	S	S	*	.			trans	-71.8	130.6	-178.3	-68.8	-173.3	-11.8	0	0	111.7	L197 M203	L197-Q199 HydrophobicContact CD2-CG 4.16Å; L197-Q199 HydrophobicContact CG-CG 4.34Å; L197-Q199 PolarHBondContact O-N 3.17Å; Q199-M203 WeakPolarHBondContact O-CE 3.46Å
200	R	61.4	Low	74.1	Confident	69 Å²	69	55.2 Å²	55.2	26%	0.26	28%	0.277	S	S	.	.			trans	-85.8	-32.1	176	-170.8	-178.7	-47	165.9	21.4	113.1	M63 S66 P67 W74	M63-R200 PolarHBondContact SD-NH2 2.95Å; S66-R200 VanDerWaalsContact OG-CZ 3.26Å; S66-R200 PolarHBondContact OG-NH1 2.76Å; S66-R200 PolarHBondContact OG-NH2 3.31Å; P67-R200 PolarHBondContact O-NH1 3.1Å; P67-R200 VanDerWaalsContact O-NH1 3.1Å; W74-R200 HydrophobicContact CD2-CB 4.45Å; W74-R200 HydrophobicContact CD2-CG 3.76Å; W74-R200 HydrophobicContact CE3-CG 4.07Å; W74-R200 HydrophobicContact CG-CG 3.92Å; W74-R200 HydrophobicContact CZ2-CB 4.49Å
201	Q	54.6	Low	73.4	Confident	146 Å²	146	55.6 Å²	55.6	68%	0.682	28%	0.279	S	S	*	.	S	Bend	trans	-87.6	149	-165	-65.2	173.4	-12.9	0	0	110.1
202	H	60.9	Low	72.8	Confident	89 Å²	89	59.8 Å²	59.8	41%	0.412	30%	0.297	S	S	.	.	S	Bend	trans	69.7	36.1	174	-46.6	-69.7	0	0	0	116.7	I264 S265	H202-I264 HydrophobicContact CB-CG2 4.45Å; H202-I264 CarbonylContact O-C 3.59Å; H202-I264 VanDerWaalsContact O-CA 3.24Å; H202-I264 WeakPolarHBondContact O-CA 3.47Å; H202-I264 WeakPolarHBondContact O-CG2 3.18Å; H202-S265 WeakPolarHBondContact CA-OG 3.15Å; H202-S265 PolarHBondContact O-N 3.11Å; H202-S265 PolarHBondContact O-OG 3.45Å
203	M	63.7	Low	72.4	Confident	55 Å²	55	68.9 Å²	68.9	27%	0.271	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-118.1	142.6	169.8	-63	-170.6	-63.3	0	0	111.9	W74 S78 Q199 S262 P263 S265	W74-M203 VanDerWaalsContact CD1-CE 3.5Å; S78-M203 WeakPolarHBondContact OG-CE 3.35Å; Q199-M203 WeakPolarHBondContact O-CE 3.46Å; M203-S262 VanDerWaalsContact SD-CB 3.6Å; M203-P263 CarbonylContact C-O 3.48Å; M203-P263 VanDerWaalsContact CA-O 3.26Å; M203-P263 WeakPolarHBondContact CA-O 3.2Å; M203-S265 PolarHBondContact N-OG 3.37Å
204	L	66.4	Low	72.2	Confident	93 Å²	93	74.3 Å²	74.3	49%	0.487	36%	0.36	S	S	.	.			trans	-81	130.1	175.3	-171.6	86.1	0	0	0	109.8	Q77 V206 P263	Q77-L204 PolarHBondContact NE2-O 3.49Å; Q77-L204 PolarHBondContact OE1-O 2.88Å; L204-V206 HydrophobicContact CD2-CG2 3.91Å; L204-V206 HydrophobicContact CG-CG2 4.48Å; L204-V206 PolarHBondContact O-N 3.29Å; L204-P263 HydrophobicContact CB-CB 4.1Å; L204-P263 HydrophobicContact CD2-CB 4.5Å; L204-P263 PolarHBondContact N-O 2.86Å
205	F	66.1	Low	72.1	Confident	90 Å²	90	77.5 Å²	77.5	40%	0.395	38%	0.375	S	S	.	.			trans	-71.7	116.4	171.4	-178.3	-98.8	0	0	0	112.1	K73 Q77 D207	K73-F205 HydrophobicContact CB-CD2 3.8Å; K73-F205 HydrophobicContact CB-CE2 4.1Å; K73-F205 HydrophobicContact CB-CG 4.19Å; K73-F205 HydrophobicContact CD-CD1 4.49Å; K73-F205 HydrophobicContact CD-CG 4.5Å; K73-F205 WeakPolarHBondContact O-CD2 3.21Å; K73-F205 WeakPolarHBondContact O-CE2 3.48Å; Q77-F205 HydrophobicContact CB-CD2 3.79Å; Q77-F205 HydrophobicContact CB-CE2 3.84Å; Q77-F205 HydrophobicContact CG-CD2 4.35Å; Q77-F205 VanDerWaalsContact OE1-CA 3.23Å; F205-D207 HydrophobicContact CE1-CB 3.8Å; F205-D207 HydrophobicContact CZ-CB 3.84Å
206	V	68.5	Low	71.6	Confident	16 Å²	16	77.1 Å²	77.1	10%	0.097	37%	0.372	C	S	.	.			trans	-123.6	110.9	171.6	-168.9	0	0	0	0	107.5	Q77 L204 A210 M211 P263	Q77-V206 VanDerWaalsContact CD-N 3.34Å; Q77-V206 WeakPolarHBondContact CG-O 3.42Å; Q77-V206 PolarHBondContact NE2-O 3.04Å; L204-V206 HydrophobicContact CD2-CG2 3.91Å; L204-V206 HydrophobicContact CG-CG2 4.48Å; L204-V206 PolarHBondContact O-N 3.29Å; V206-A210 HydrophobicContact CG1-CB 3.69Å; V206-M211 HydrophobicContact CB-CG 4.17Å; V206-M211 HydrophobicContact CB-SD 3.98Å; V206-M211 HydrophobicContact CG1-CG 3.7Å; V206-M211 HydrophobicContact CG1-SD 3.67Å; V206-P263 HydrophobicContact CG2-CG 4.09Å
207	D	65.6	Low	70.9	Confident	70 Å²	70	76.2 Å²	76.2	37%	0.374	37%	0.368	S	S	.	.			trans	-68.1	162.1	179.1	72.1	63.6	0	0	0	111.9	F205 S209 A210 M211	F205-D207 HydrophobicContact CE1-CB 3.8Å; F205-D207 HydrophobicContact CZ-CB 3.84Å; D207-S209 PolarHBondContact O-N 3.28Å; D207-S209 VanDerWaalsContact OD1-CA 3.26Å; D207-S209 WeakPolarHBondContact OD1-CA 3.43Å; D207-S209 WeakPolarHBondContact OD1-CB 3.48Å; D207-S209 PolarHBondContact OD1-N 2.8Å; D207-A210 WeakPolarHBondContact O-CB 3.49Å; D207-A210 PolarHBondContact O-N 3.21Å; D207-A210 VanDerWaalsContact O-N 3.15Å; D207-A210 PolarHBondContact OD1-N 2.99Å; D207-M211 WeakPolarHBondContact O-CG 3.43Å; D207-M211 PolarHBondContact O-N 2.81Å
208	K	63.5	Low	70	Confident	83 Å²	83	73.4 Å²	73.4	36%	0.361	35%	0.354	S	S	.	.	H	α-helix	trans	-59.3	-33	-177.8	-171.6	174	-175.6	170.2	0	113	D83 K212 F219	D83-K208 WeakPolarHBondContact OD1-CE 3.39Å; D83-K208 IonicContact OD1-NZ 3.52Å; D83-K208 PolarHBondContact OD1-NZ 3.05Å; D83-K208 IonicContact OD2-NZ 3.54Å; D83-K208 PolarHBondContact OD2-NZ 3.36Å; K208-K212 VanDerWaalsContact O-CB 3.32Å; K208-K212 WeakPolarHBondContact O-CB 3.21Å; K208-K212 PolarHBondContact O-N 3.22Å; K208-F219 HydrophobicContact CG-CE1 4.35Å
209	S	69	Low	68.8	Low	69 Å²	69	73.7 Å²	73.7	48%	0.483	35%	0.354	S	S	.	.	H	α-helix	trans	-68.7	-47.8	177.9	-49.7	0	0	0	0	109.6	D207 K212 Y213	D207-S209 PolarHBondContact O-N 3.28Å; D207-S209 VanDerWaalsContact OD1-CA 3.26Å; D207-S209 WeakPolarHBondContact OD1-CA 3.43Å; D207-S209 WeakPolarHBondContact OD1-CB 3.48Å; D207-S209 PolarHBondContact OD1-N 2.8Å; S209-K212 PolarHBondContact O-N 3.21Å; S209-Y213 WeakPolarHBondContact O-CB 3.29Å; S209-Y213 WeakPolarHBondContact O-CD2 3.48Å; S209-Y213 PolarHBondContact O-N 2.84Å
210	A	76.1	Confident	67.8	Low	29 Å²	29	72.5 Å²	72.5	24%	0.24	35%	0.348	C	S	.	.	H	α-helix	trans	-58.5	-48	174.8	0	0	0	0	0	111.3	V206 D207 K212 Y213 L214	V206-A210 HydrophobicContact CG1-CB 3.69Å; D207-A210 WeakPolarHBondContact O-CB 3.49Å; D207-A210 PolarHBondContact O-N 3.21Å; D207-A210 VanDerWaalsContact O-N 3.15Å; D207-A210 PolarHBondContact OD1-N 2.99Å; A210-K212 VanDerWaalsContact C-N 3.27Å; A210-K212 PolarHBondContact O-N 2.79Å; A210-Y213 PolarHBondContact O-N 3.15Å; A210-L214 WeakPolarHBondContact O-CB 3.2Å; A210-L214 VanDerWaalsContact O-CG 3.25Å; A210-L214 WeakPolarHBondContact O-CG 3.48Å; A210-L214 PolarHBondContact O-N 3.05Å
211	M	72.3	Confident	66.8	Low	9 Å²	9	73.2 Å²	73.2	4%	0.044	35%	0.354	C	S	.	.	H	α-helix	trans	-55.5	-41.4	175.7	-73.3	-65.5	-67	0	0	112.5	V206 D207 Q215 I216 I217 F219	V206-M211 HydrophobicContact CB-CG 4.17Å; V206-M211 HydrophobicContact CB-SD 3.98Å; V206-M211 HydrophobicContact CG1-CG 3.7Å; V206-M211 HydrophobicContact CG1-SD 3.67Å; D207-M211 WeakPolarHBondContact O-CG 3.43Å; D207-M211 PolarHBondContact O-N 2.81Å; M211-Q215 PolarHBondContact O-N 3.21Å; M211-I216 HydrophobicContact CE-CB 3.82Å; M211-I216 HydrophobicContact CE-CD1 4.29Å; M211-I216 HydrophobicContact CE-CG2 3.87Å; M211-I216 PolarHBondContact O-N 3.39Å; M211-I216 VanDerWaalsContact O-N 3.1Å; M211-I216 HydrophobicContact SD-CB 4.22Å; M211-I216 HydrophobicContact SD-CD1 3.53Å; M211-I216 VanDerWaalsContact SD-CD1 3.53Å; M211-I216 HydrophobicContact SD-CG1 4.34Å; M211-I216 HydrophobicContact SD-CG2 4.45Å; M211-I217 HydrophobicContact CE-CD1 4.14Å; M211-I217 HydrophobicContact CE-CG1 4.21Å; M211-F219 HydrophobicContact CB-CE2 3.62Å; M211-F219 HydrophobicContact CB-CZ 3.72Å; M211-F219 HydrophobicContact CE-CE2 4.46Å; M211-F219 HydrophobicContact CE-CZ 4.45Å; M211-F219 HydrophobicContact CG-CZ 4.41Å
212	K	72.5	Confident	66	Low	108 Å²	108	68 Å²	68	47%	0.47	33%	0.332	S	S	.	.	H	α-helix	trans	-71.6	-47.1	178	-178.4	179	179.5	174.5	0	112.5	K208 S209 A210 Q215	K208-K212 VanDerWaalsContact O-CB 3.32Å; K208-K212 WeakPolarHBondContact O-CB 3.21Å; K208-K212 PolarHBondContact O-N 3.22Å; S209-K212 PolarHBondContact O-N 3.21Å; A210-K212 VanDerWaalsContact C-N 3.27Å; A210-K212 PolarHBondContact O-N 2.79Å; K212-Q215 PolarHBondContact O-N 2.91Å; K212-Q215 VanDerWaalsContact O-N 3.1Å
213	Y	80.7	Confident	64.9	Low	191 Å²	191	71.7 Å²	71.7	75%	0.749	34%	0.344	S	S	*	.	H	α-helix	trans	-71.3	-32.9	-177.4	-74.2	-60	0	0	0	112.5	S209 A210 Q215	S209-Y213 WeakPolarHBondContact O-CB 3.29Å; S209-Y213 WeakPolarHBondContact O-CD2 3.48Å; S209-Y213 PolarHBondContact O-N 2.84Å; A210-Y213 PolarHBondContact O-N 3.15Å; Y213-Q215 PolarHBondContact O-N 3.23Å
214	L	83.3	Confident	63.6	Low	114 Å²	114	72.6 Å²	72.6	60%	0.597	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-4.5	170.5	-65.3	173.5	0	0	0	112.7	A210 I216	A210-L214 WeakPolarHBondContact O-CB 3.2Å; A210-L214 VanDerWaalsContact O-CG 3.25Å; A210-L214 WeakPolarHBondContact O-CG 3.48Å; A210-L214 PolarHBondContact O-N 3.05Å; L214-I216 HydrophobicContact CB-CD1 3.97Å; L214-I216 HydrophobicContact CB-CG1 3.66Å; L214-I216 HydrophobicContact CD1-CD1 3.97Å; L214-I216 PolarHBondContact O-N 3.19Å
215	Q	82.6	Confident	62.2	Low	85 Å²	85	71 Å²	71	40%	0.397	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	41.9	179.7	-59.6	-178.4	-23.1	0	0	112.6	M211 K212 Y213 T239 L240	M211-Q215 PolarHBondContact O-N 3.21Å; K212-Q215 PolarHBondContact O-N 2.91Å; K212-Q215 VanDerWaalsContact O-N 3.1Å; Y213-Q215 PolarHBondContact O-N 3.23Å; Q215-T239 CarbonylContact O-C 3.52Å; Q215-T239 WeakPolarHBondContact O-CA 3.33Å; Q215-T239 WeakPolarHBondContact O-CB 3.18Å; Q215-L240 PolarHBondContact O-N 2.9Å
216	I	78.3	Confident	61.1	Low	17 Å²	17	71.2 Å²	71.2	9%	0.087	35%	0.353	C	S	.	.			trans	-67.7	-50.1	-171.1	-60.4	178.9	0	0	0	110.7	M211 L214 F241 M260	M211-I216 HydrophobicContact CE-CB 3.82Å; M211-I216 HydrophobicContact CE-CD1 4.29Å; M211-I216 HydrophobicContact CE-CG2 3.87Å; M211-I216 PolarHBondContact O-N 3.39Å; M211-I216 VanDerWaalsContact O-N 3.1Å; M211-I216 HydrophobicContact SD-CB 4.22Å; M211-I216 HydrophobicContact SD-CD1 3.53Å; M211-I216 VanDerWaalsContact SD-CD1 3.53Å; M211-I216 HydrophobicContact SD-CG1 4.34Å; M211-I216 HydrophobicContact SD-CG2 4.45Å; L214-I216 HydrophobicContact CB-CD1 3.97Å; L214-I216 HydrophobicContact CB-CG1 3.66Å; L214-I216 HydrophobicContact CD1-CD1 3.97Å; L214-I216 PolarHBondContact O-N 3.19Å; I216-F241 WeakPolarHBondContact O-CB 3.43Å; I216-F241 PolarHBondContact O-N 3.4Å; I216-M260 HydrophobicContact CG2-CB 4.08Å; I216-M260 HydrophobicContact CG2-CE 3.73Å
217	I	72.6	Confident	59.6	Low	26 Å²	26	78 Å²	78	13%	0.133	38%	0.381	C	S	.	.	S	Bend	trans	-133.2	150.3	-179.6	-49.4	178.8	0	0	0	108.4	M211 F219 R257	M211-I217 HydrophobicContact CE-CD1 4.14Å; M211-I217 HydrophobicContact CE-CG1 4.21Å; I217-F219 WeakPolarHBondContact O-CD2 3.39Å; I217-F219 PolarHBondContact O-N 2.69Å; I217-R257 HydrophobicContact CD1-CG 4.04Å; I217-R257 HydrophobicContact CG2-CG 4.42Å
218	D	64.7	Low	58.4	Low	27 Å²	27	77.9 Å²	77.9	14%	0.144	40%	0.397	C	S	.	.			trans	-64.6	100	178.9	-84.5	-59.6	0	0	0	111.6	H220 E221 T239 K242	D218-H220 VanDerWaalsContact C-N 3.32Å; D218-E221 HydrophobicContact CB-CG 4.25Å; D218-T239 HydrophobicContact CB-CG2 4.32Å; D218-T239 VanDerWaalsContact OD1-CG2 3.27Å; D218-T239 WeakPolarHBondContact OD1-CG2 3.25Å; D218-T239 PolarHBondContact OD2-OG1 3Å; D218-K242 IonicContact OD1-NZ 3.84Å; D218-K242 WeakPolarHBondContact OD2-CD 3.34Å; D218-K242 WeakPolarHBondContact OD2-CE 3.4Å; D218-K242 IonicContact OD2-NZ 3.27Å; D218-K242 PolarHBondContact OD2-NZ 3.07Å
219	F	54.7	Low	57.3	Low	35 Å²	35	78.7 Å²	78.7	15%	0.154	40%	0.404	C	S	.	.	S	Bend	trans	-79.6	-15.2	168.8	-75.3	-85.9	0	0	0	112.8	K208 M211 I217	K208-F219 HydrophobicContact CG-CE1 4.35Å; M211-F219 HydrophobicContact CB-CE2 3.62Å; M211-F219 HydrophobicContact CB-CZ 3.72Å; M211-F219 HydrophobicContact CE-CE2 4.46Å; M211-F219 HydrophobicContact CE-CZ 4.45Å; M211-F219 HydrophobicContact CG-CZ 4.41Å; I217-F219 WeakPolarHBondContact O-CD2 3.39Å; I217-F219 PolarHBondContact O-N 2.69Å
220	H	46.2	Very low	56	Low	102 Å²	102	83 Å²	83	47%	0.472	42%	0.42	S	S	.	.	S	Bend	trans	-110.3	-8.5	-163.1	-102.1	-70.2	0	0	0	116.1	D218 T222	D218-H220 VanDerWaalsContact C-N 3.32Å; H220-T222 VanDerWaalsContact C-N 3.34Å; H220-T222 PolarHBondContact O-N 2.96Å
221	E	41.2	Very low	54.4	Low	84 Å²	84	84.4 Å²	84.4	39%	0.393	43%	0.428	S	S	.	.	H	α-helix	trans	-69.3	-31.3	179.6	-76.5	-170.6	164.7	0	0	112.7	D218 K242	D218-E221 HydrophobicContact CB-CG 4.25Å; E221-K242 IonicContact OE1-NZ 3.47Å; E221-K242 PolarHBondContact OE1-NZ 3.11Å
222	T	37.6	Very low	53.1	Low	35 Å²	35	87.8 Å²	87.8	22%	0.215	45%	0.452	C	S	.	.	H	α-helix	trans	-76.1	-27.4	-177.7	45.8	0	0	0	0	113.9	H220 S226	H220-T222 VanDerWaalsContact C-N 3.34Å; H220-T222 PolarHBondContact O-N 2.96Å; T222-S226 PolarHBondContact O-OG 3.01Å
223	Y	36.5	Very low	51.9	Low	167 Å²	167	92 Å²	92	66%	0.655	47%	0.473	S	S	*	.	H	α-helix	trans	-76.8	-23.3	-177.9	-143.5	-87.9	0	0	0	113.6	S226	Y223-S226 PolarHBondContact O-OG 3.48Å
224	K	36.3	Very low	50.1	Low	75 Å²	75	87.1 Å²	87.1	33%	0.326	47%	0.472	S	S	.	.	H	α-helix	trans	-88.3	-36.8	-178	-70.1	-175.6	178.8	177.6	0	112.9	S226 K227 G228 I229 P231	K224-S226 PolarHBondContact O-N 3.34Å; K224-K227 PolarHBondContact O-N 2.87Å; K224-G228 PolarHBondContact O-N 3.27Å; K224-I229 PolarHBondContact O-N 3Å; K224-I229 VanDerWaalsContact O-N 3.14Å; K224-P231 HydrophobicContact CD-CB 4.32Å
225	V	38.6	Very low	48.2	Very low	60 Å²	60	88.8 Å²	88.8	36%	0.364	48%	0.482	S	S	.	.	H	α-helix	trans	-66.7	-38.1	179.3	179.2	0	0	0	0	111.8	K227 G228	V225-K227 PolarHBondContact O-N 3.16Å; V225-K227 VanDerWaalsContact O-N 3.15Å; V225-G228 PolarHBondContact O-N 2.86Å; V225-G228 VanDerWaalsContact O-N 3.14Å
226	S	41.6	Very low	46.9	Very low	93 Å²	93	88 Å²	88	65%	0.65	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-12.2	178.5	46.1	0	0	0	0	114.6	T222 Y223 K224	T222-S226 PolarHBondContact O-OG 3.01Å; Y223-S226 PolarHBondContact O-OG 3.48Å; K224-S226 PolarHBondContact O-N 3.34Å
227	K	38.6	Very low	46.1	Very low	158 Å²	158	90.5 Å²	90.5	69%	0.687	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	9.6	173.3	-79.7	-167.1	173.6	-173.6	0	114.3	K224 V225 I229	K224-K227 PolarHBondContact O-N 2.87Å; V225-K227 PolarHBondContact O-N 3.16Å; V225-K227 VanDerWaalsContact O-N 3.15Å; K227-I229 HydrophobicContact CB-CD1 4.32Å; K227-I229 HydrophobicContact CB-CG1 4.3Å; K227-I229 PolarHBondContact O-N 3.12Å
228	G	39.4	Very low	46	Very low	69 Å²	69	93 Å²	93	71%	0.711	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	17.9	-179.1	0	0	0	0	0	114.3	K224 V225 L230	K224-G228 PolarHBondContact O-N 3.27Å; V225-G228 PolarHBondContact O-N 2.86Å; V225-G228 VanDerWaalsContact O-N 3.14Å; G228-L230 PolarHBondContact O-N 2.88Å
229	I	39.7	Very low	47	Very low	99 Å²	99	92 Å²	92	51%	0.508	51%	0.511	S	S	.	.			trans	-88.1	104.6	175.5	-58.5	174.2	0	0	0	106.8	K224 K227	K224-I229 PolarHBondContact O-N 3Å; K224-I229 VanDerWaalsContact O-N 3.14Å; K227-I229 HydrophobicContact CB-CD1 4.32Å; K227-I229 HydrophobicContact CB-CG1 4.3Å; K227-I229 PolarHBondContact O-N 3.12Å
230	L	43.3	Very low	48.5	Very low	159 Å²	159	94 Å²	94	83%	0.832	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-59.2	125.7	168.7	-73.8	162.1	0	0	0	108	G228 S232	G228-L230 PolarHBondContact O-N 2.88Å; L230-S232 PolarHBondContact O-N 2.77Å
231	P	42.5	Very low	50.4	Low	60 Å²	60	89.5 Å²	89.5	39%	0.39	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-62.8	125.1	176.4	25.9	-30.4	0	0	0	107.9	K224 E233 I236	K224-P231 HydrophobicContact CD-CB 4.32Å; P231-E233 PolarHBondContact O-N 2.77Å; P231-I236 HydrophobicContact CB-CD1 4.12Å
232	S	44	Very low	52.6	Low	79 Å²	79	89.7 Å²	89.7	55%	0.552	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-63.4	121.9	162.5	70	0	0	0	0	106.9	L230 A234	L230-S232 PolarHBondContact O-N 2.77Å; S232-A234 PolarHBondContact O-N 3.25Å
233	E	48	Very low	55	Low	198 Å²	198	92.4 Å²	92.4	93%	0.925	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-57.5	-14.1	-178.6	-67.4	178.9	154.2	0	0	112.7	P231 N235	P231-E233 PolarHBondContact O-N 2.77Å; E233-N235 PolarHBondContact O-N 3.16Å
234	A	41.9	Very low	57.6	Low	87 Å²	87	88.8 Å²	88.8	72%	0.719	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-83.2	-2.1	-167.5	0	0	0	0	0	116.6	S232	S232-A234 PolarHBondContact O-N 3.25Å
235	N	44.7	Very low	60.2	Low	149 Å²	149	87 Å²	87	80%	0.797	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-143	22.2	-171.9	-100.5	-25.8	0	0	0	117	E233	E233-N235 PolarHBondContact O-N 3.16Å
236	I	54.7	Low	62.8	Low	70 Å²	70	89.7 Å²	89.7	36%	0.359	51%	0.508	S	S	.	.			trans	-108.5	99.9	174.2	-53.1	174.4	0	0	0	107.8	P231	P231-I236 HydrophobicContact CB-CD1 4.12Å
237	S	60.9	Low	65.2	Low	69 Å²	69	86 Å²	86	48%	0.483	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-50	128.1	167.1	-49.9	0	0	0	0	108.5	T239	S237-T239 PolarHBondContact O-N 3.32Å
238	P	71.7	Confident	67.9	Low	78 Å²	78	81.4 Å²	81.4	51%	0.506	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-60.8	130.4	-178.1	24.6	-32.5	0	0	0	109.2	K242 I243	P238-K242 HydrophobicContact CB-CB 4.48Å; P238-I243 HydrophobicContact CB-CD1 4.47Å; P238-I243 HydrophobicContact CB-CG1 4.1Å; P238-I243 HydrophobicContact CG-CD1 4.26Å; P238-I243 HydrophobicContact CG-CG1 4.3Å
239	T	84	Confident	70.4	Confident	7 Å²	7	78.5 Å²	78.5	4%	0.043	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-63.9	154.1	174.6	52.4	0	0	0	0	110.3	Q215 D218 S237 F241 K242 I243	Q215-T239 CarbonylContact O-C 3.52Å; Q215-T239 WeakPolarHBondContact O-CA 3.33Å; Q215-T239 WeakPolarHBondContact O-CB 3.18Å; D218-T239 HydrophobicContact CB-CG2 4.32Å; D218-T239 VanDerWaalsContact OD1-CG2 3.27Å; D218-T239 WeakPolarHBondContact OD1-CG2 3.25Å; D218-T239 PolarHBondContact OD2-OG1 3Å; S237-T239 PolarHBondContact O-N 3.32Å; T239-F241 PolarHBondContact O-N 2.97Å; T239-K242 WeakPolarHBondContact O-CB 3.38Å; T239-K242 PolarHBondContact O-N 2.85Å; T239-K242 WeakPolarHBondContact OG1-CG 3.27Å; T239-K242 PolarHBondContact OG1-N 3.09Å; T239-I243 PolarHBondContact O-N 3.42Å; T239-I243 VanDerWaalsContact O-N 3.09Å
240	L	87.7	Confident	72.8	Confident	77 Å²	77	77.7 Å²	77.7	40%	0.403	43%	0.433	S	S	.	.	H	α-helix	trans	-54.8	-37.7	175.6	-172.7	64.7	0	0	0	110.6	Q215 K242 I243 L244 M260	Q215-L240 PolarHBondContact O-N 2.9Å; L240-K242 PolarHBondContact O-N 3.49Å; L240-I243 PolarHBondContact O-N 3.46Å; L240-L244 HydrophobicContact CD1-CD1 3.98Å; L240-L244 HydrophobicContact CD1-CG 4.17Å; L240-L244 HydrophobicContact CD2-CD1 4.3Å; L240-L244 HydrophobicContact CG-CD1 3.78Å; L240-L244 HydrophobicContact CG-CG 4.27Å; L240-L244 WeakPolarHBondContact O-CB 3.17Å; L240-L244 WeakPolarHBondContact O-CG 3.42Å; L240-L244 PolarHBondContact O-N 2.93Å; L240-M260 HydrophobicContact CB-CE 3.79Å; L240-M260 HydrophobicContact CD2-CE 3.79Å; L240-M260 HydrophobicContact CG-CE 3.65Å
241	F	85.7	Confident	74.8	Confident	7 Å²	7	71 Å²	71	3%	0.031	40%	0.397	C	S	.	.	H	α-helix	trans	-59	-46.1	174.2	176.7	-93.6	0	0	0	112.5	I216 T239 I243 L244 N245 T253 L256 R257 M260	I216-F241 WeakPolarHBondContact O-CB 3.43Å; I216-F241 PolarHBondContact O-N 3.4Å; T239-F241 PolarHBondContact O-N 2.97Å; F241-I243 VanDerWaalsContact C-N 3.25Å; F241-I243 PolarHBondContact O-N 3.43Å; F241-L244 PolarHBondContact O-N 3.36Å; F241-N245 HydrophobicContact CD1-CB 4.46Å; F241-N245 HydrophobicContact CE1-CB 4.03Å; F241-N245 HydrophobicContact CE2-CB 4.11Å; F241-N245 HydrophobicContact CZ-CB 3.88Å; F241-N245 WeakPolarHBondContact O-CB 3.38Å; F241-N245 PolarHBondContact O-N 3.32Å; F241-T253 HydrophobicContact CZ-CG2 3.9Å; F241-L256 HydrophobicContact CE2-CD2 4.5Å; F241-L256 HydrophobicContact CE2-CG 4.39Å; F241-R257 VanDerWaalsContact CD1-NH2 3.31Å; F241-R257 HydrophobicContact CD2-CB 4.08Å; F241-R257 HydrophobicContact CD2-CG 4.43Å; F241-R257 HydrophobicContact CE2-CB 3.5Å; F241-R257 VanDerWaalsContact CE2-CB 3.5Å; F241-R257 HydrophobicContact CE2-CG 4.19Å; F241-R257 HydrophobicContact CZ-CB 4.06Å; F241-M260 HydrophobicContact CB-CE 4.02Å; F241-M260 HydrophobicContact CB-SD 4.01Å; F241-M260 HydrophobicContact CD2-SD 3.84Å; F241-M260 HydrophobicContact CG-SD 4.42Å; F241-M260 VanDerWaalsContact N-CE 3.35Å
242	K	86.1	Confident	77.1	Confident	87 Å²	87	68.1 Å²	68.1	38%	0.378	38%	0.379	S	S	.	.	H	α-helix	trans	-63.3	-32.4	177.3	-82.4	174.1	170.1	154.3	0	112.7	D218 E221 P238 T239 L240	D218-K242 IonicContact OD1-NZ 3.84Å; D218-K242 WeakPolarHBondContact OD2-CD 3.34Å; D218-K242 WeakPolarHBondContact OD2-CE 3.4Å; D218-K242 IonicContact OD2-NZ 3.27Å; D218-K242 PolarHBondContact OD2-NZ 3.07Å; E221-K242 IonicContact OE1-NZ 3.47Å; E221-K242 PolarHBondContact OE1-NZ 3.11Å; P238-K242 HydrophobicContact CB-CB 4.48Å; T239-K242 WeakPolarHBondContact O-CB 3.38Å; T239-K242 PolarHBondContact O-N 2.85Å; T239-K242 WeakPolarHBondContact OG1-CG 3.27Å; T239-K242 PolarHBondContact OG1-N 3.09Å; L240-K242 PolarHBondContact O-N 3.49Å
243	I	89.4	Confident	79.3	Confident	92 Å²	92	66.2 Å²	66.2	47%	0.472	36%	0.364	S	S	.	.	H	α-helix	trans	-73.1	-43.4	177.7	-62.3	170.6	0	0	0	110.8	P238 T239 L240 F241 H246	P238-I243 HydrophobicContact CB-CD1 4.47Å; P238-I243 HydrophobicContact CB-CG1 4.1Å; P238-I243 HydrophobicContact CG-CD1 4.26Å; P238-I243 HydrophobicContact CG-CG1 4.3Å; T239-I243 PolarHBondContact O-N 3.42Å; T239-I243 VanDerWaalsContact O-N 3.09Å; L240-I243 PolarHBondContact O-N 3.46Å; F241-I243 VanDerWaalsContact C-N 3.25Å; F241-I243 PolarHBondContact O-N 3.43Å; I243-H246 PolarHBondContact O-NE2 3.41Å
244	L	90.8	Very high	80.9	Confident	91 Å²	91	59.5 Å²	59.5	48%	0.476	34%	0.342	S	S	.	.	H	α-helix	trans	-86.9	-21.7	-173.2	-64.2	179.6	0	0	0	114.1	L240 F241 H246 M260	L240-L244 HydrophobicContact CD1-CD1 3.98Å; L240-L244 HydrophobicContact CD1-CG 4.17Å; L240-L244 HydrophobicContact CD2-CD1 4.3Å; L240-L244 HydrophobicContact CG-CD1 3.78Å; L240-L244 HydrophobicContact CG-CG 4.27Å; L240-L244 WeakPolarHBondContact O-CB 3.17Å; L240-L244 WeakPolarHBondContact O-CG 3.42Å; L240-L244 PolarHBondContact O-N 2.93Å; F241-L244 PolarHBondContact O-N 3.36Å; L244-H246 PolarHBondContact O-N 2.94Å; L244-M260 HydrophobicContact CB-SD 4.48Å; L244-M260 HydrophobicContact CD1-CE 4.19Å; L244-M260 HydrophobicContact CD1-SD 4.18Å
245	N	90.5	Very high	82.9	Confident	39 Å²	39	56.3 Å²	56.3	21%	0.209	31%	0.313	C	S	.	.			trans	-77.1	95.6	-175.3	-177.5	34.2	0	0	0	112.4	F241 C247 T253 L256	F241-N245 HydrophobicContact CD1-CB 4.46Å; F241-N245 HydrophobicContact CE1-CB 4.03Å; F241-N245 HydrophobicContact CE2-CB 4.11Å; F241-N245 HydrophobicContact CZ-CB 3.88Å; F241-N245 WeakPolarHBondContact O-CB 3.38Å; F241-N245 PolarHBondContact O-N 3.32Å; N245-C247 VanDerWaalsContact OD1-CB 3.31Å; N245-C247 WeakPolarHBondContact OD1-CB 3.47Å; N245-C247 PolarHBondContact OD1-N 2.84Å; N245-C247 PolarHBondContact OD1-SG 3.19Å; N245-T253 WeakPolarHBondContact ND2-CG2 3.41Å; N245-L256 HydrophobicContact CB-CD2 3.95Å
246	H	92.8	Very high	85	Confident	115 Å²	115	50.1 Å²	50.1	53%	0.532	28%	0.28	S	S	.	.			trans	-109.9	12.2	170.1	-64.8	-61.4	0	0	0	113.6	I243 L244 R293	I243-H246 PolarHBondContact O-NE2 3.41Å; L244-H246 PolarHBondContact O-N 2.94Å; H246-R293 PolarHBondContact O-NH1 2.97Å; H246-R293 PolarHBondContact O-NH2 3.04Å
247	C	93.5	Very high	86.3	Confident	17 Å²	17	49.9 Å²	49.9	12%	0.115	27%	0.274	C	S	.	.			trans	-57.6	138.6	177.3	-60.6	0	0	0	0	110.8	N245 G252 D516	N245-C247 VanDerWaalsContact OD1-CB 3.31Å; N245-C247 WeakPolarHBondContact OD1-CB 3.47Å; N245-C247 PolarHBondContact OD1-N 2.84Å; N245-C247 PolarHBondContact OD1-SG 3.19Å; C247-G252 VanDerWaalsContact SG-C 3.58Å; C247-D516 WeakPolarHBondContact CA-OD1 3.38Å; C247-D516 WeakPolarHBondContact CB-OD2 3.44Å
248	L	94.5	Very high	87.1	Confident	61 Å²	61	51.2 Å²	51.2	32%	0.319	27%	0.271	S	S	.	.	S	Bend	trans	-93.4	-18.6	-178.5	-64.7	173.2	0	0	0	112.6	R293 L296 K297 D516	L248-R293 HydrophobicContact CD1-CB 3.79Å; L248-R293 HydrophobicContact CD1-CG 3.98Å; L248-R293 WeakPolarHBondContact CD1-O 3.46Å; L248-L296 HydrophobicContact CB-CB 4.17Å; L248-L296 HydrophobicContact CD1-CB 3.99Å; L248-K297 HydrophobicContact CD1-CG 4.2Å; L248-D516 PolarHBondContact N-OD1 2.98Å; L248-D516 PolarHBondContact N-OD2 2.93Å
249	T	92.6	Very high	87.7	Confident	7 Å²	7	49 Å²	49	4%	0.043	25%	0.252	C	S	.	.	S	Bend	trans	-108.6	152.1	-178.3	76.4	0	0	0	0	111.2	Q251 G252 T253 L296 V299 D516	T249-Q251 PolarHBondContact O-N 3.37Å; T249-G252 PolarHBondContact O-N 3.01Å; T249-G252 PolarHBondContact OG1-N 3.35Å; T249-T253 WeakPolarHBondContact O-CB 3.36Å; T249-T253 PolarHBondContact O-N 3.3Å; T249-T253 PolarHBondContact O-OG1 2.93Å; T249-L296 HydrophobicContact CG2-CB 4.33Å; T249-L296 HydrophobicContact CG2-CD2 3.99Å; T249-V299 HydrophobicContact CG2-CB 3.79Å; T249-V299 HydrophobicContact CG2-CG1 3.97Å; T249-D516 WeakPolarHBondContact CA-OD2 3.33Å; T249-D516 VanDerWaalsContact CB-OD2 3.25Å; T249-D516 WeakPolarHBondContact CB-OD2 2.99Å; T249-D516 WeakPolarHBondContact CG2-OD2 3.34Å; T249-D516 PolarHBondContact N-OD2 3.35Å; T249-D516 PolarHBondContact OG1-OD2 3.01Å
250	T	88.4	Confident	87.6	Confident	83 Å²	83	49.7 Å²	49.7	51%	0.509	26%	0.256	S	S	.	.	H	α-helix	trans	-64.7	-31.7	175.2	54.4	0	0	0	0	112	A254	T250-A254 WeakPolarHBondContact O-CB 3.25Å; T250-A254 PolarHBondContact O-N 3.24Å; T250-A254 VanDerWaalsContact O-N 3.17Å
251	Q	86.1	Confident	86.9	Confident	17 Å²	17	46.5 Å²	46.5	8%	0.079	24%	0.241	C	C	.	.	H	α-helix	trans	-76.2	-42.5	178.9	-72.1	178.5	2.3	0	0	111.8	T249 T253 A254 E255 S509 A513	T249-Q251 PolarHBondContact O-N 3.37Å; Q251-T253 VanDerWaalsContact C-N 3.31Å; Q251-T253 PolarHBondContact O-N 2.89Å; Q251-A254 PolarHBondContact O-N 2.87Å; Q251-A254 VanDerWaalsContact O-N 3.11Å; Q251-E255 WeakPolarHBondContact O-CB 3.44Å; Q251-E255 PolarHBondContact O-N 3.13Å; Q251-S509 PolarHBondContact NE2-OG 3.27Å; Q251-S509 PolarHBondContact OE1-O 3.27Å; Q251-S509 PolarHBondContact OE1-OG 3.25Å; Q251-A513 HydrophobicContact CB-CB 3.72Å
252	G	91.3	Very high	86.3	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.8	-40.8	173.6	0	0	0	0	0	112.1	C247 T249 A254 E255 L256 A513 C517	C247-G252 VanDerWaalsContact SG-C 3.58Å; T249-G252 PolarHBondContact O-N 3.01Å; T249-G252 PolarHBondContact OG1-N 3.35Å; G252-A254 VanDerWaalsContact C-N 3.32Å; G252-A254 PolarHBondContact O-N 3.45Å; G252-E255 PolarHBondContact O-N 3.38Å; G252-L256 WeakPolarHBondContact O-CB 3.25Å; G252-L256 PolarHBondContact O-N 3.06Å; G252-A513 WeakPolarHBondContact CA-O 3.25Å; G252-C517 PolarHBondContact O-SG 2.67Å
253	T	88.8	Confident	86.1	Confident	39 Å²	39	45 Å²	45	24%	0.239	24%	0.242	C	C	.	.	H	α-helix	trans	-57.3	-44.7	171.8	-65.3	0	0	0	0	112	F241 N245 T249 Q251 R257	F241-T253 HydrophobicContact CZ-CG2 3.9Å; N245-T253 WeakPolarHBondContact ND2-CG2 3.41Å; T249-T253 WeakPolarHBondContact O-CB 3.36Å; T249-T253 PolarHBondContact O-N 3.3Å; T249-T253 PolarHBondContact O-OG1 2.93Å; Q251-T253 VanDerWaalsContact C-N 3.31Å; Q251-T253 PolarHBondContact O-N 2.89Å; T253-R257 WeakPolarHBondContact O-CB 3.41Å; T253-R257 PolarHBondContact O-N 2.93Å; T253-R257 VanDerWaalsContact O-N 3.1Å
254	A	82	Confident	85.8	Confident	58 Å²	58	42.5 Å²	42.5	48%	0.479	23%	0.229	S	C	.	.	H	α-helix	trans	-69.7	-39.7	179.8	0	0	0	0	0	112.2	T250 Q251 G252 R257 K258	T250-A254 WeakPolarHBondContact O-CB 3.25Å; T250-A254 PolarHBondContact O-N 3.24Å; T250-A254 VanDerWaalsContact O-N 3.17Å; Q251-A254 PolarHBondContact O-N 2.87Å; Q251-A254 VanDerWaalsContact O-N 3.11Å; G252-A254 VanDerWaalsContact C-N 3.32Å; G252-A254 PolarHBondContact O-N 3.45Å; A254-R257 WeakPolarHBondContact O-CB 3.48Å; A254-R257 PolarHBondContact O-N 3.45Å; A254-K258 WeakPolarHBondContact O-CB 3.48Å; A254-K258 PolarHBondContact O-N 3.16Å
255	E	85	Confident	85.4	Confident	20 Å²	20	41.1 Å²	41.1	9%	0.093	23%	0.227	C	C	.	.	H	α-helix	trans	-69.4	-41.9	179.2	-168.1	60.3	-148	0	0	111.1	Q251 G252 R257 K258 W259 E514	Q251-E255 WeakPolarHBondContact O-CB 3.44Å; Q251-E255 PolarHBondContact O-N 3.13Å; G252-E255 PolarHBondContact O-N 3.38Å; E255-R257 VanDerWaalsContact C-N 3.33Å; E255-R257 PolarHBondContact O-N 3.01Å; E255-K258 WeakPolarHBondContact O-CB 3.31Å; E255-K258 PolarHBondContact O-N 3.1Å; E255-K258 IonicContact OE1-NZ 2.73Å; E255-K258 PolarHBondContact OE1-NZ 3.15Å; E255-K258 IonicContact OE2-NZ 3.64Å; E255-K258 PolarHBondContact OE2-NZ 3.2Å; E255-W259 HydrophobicContact CG-CZ2 4.05Å; E255-W259 PolarHBondContact O-N 3.3Å; E255-W259 PolarHBondContact OE1-NE1 3.35Å; E255-E514 HydrophobicContact CG-CG 4.46Å
256	L	87.8	Confident	85.2	Confident	19 Å²	19	39.9 Å²	39.9	10%	0.099	22%	0.221	C	C	.	.	H	α-helix	trans	-61.2	-43.2	173.2	-179.6	62.8	0	0	0	111.4	F241 N245 G252 K258 W259 M260	F241-L256 HydrophobicContact CE2-CD2 4.5Å; F241-L256 HydrophobicContact CE2-CG 4.39Å; N245-L256 HydrophobicContact CB-CD2 3.95Å; G252-L256 WeakPolarHBondContact O-CB 3.25Å; G252-L256 PolarHBondContact O-N 3.06Å; L256-K258 VanDerWaalsContact C-N 3.28Å; L256-K258 PolarHBondContact O-N 3.29Å; L256-W259 PolarHBondContact O-N 2.9Å; L256-M260 HydrophobicContact CD1-CG 4.42Å; L256-M260 HydrophobicContact CG-SD 4.46Å; L256-M260 WeakPolarHBondContact O-CG 3.09Å; L256-M260 PolarHBondContact O-N 3.48Å
257	R	83	Confident	85	Confident	64 Å²	64	41.8 Å²	41.8	24%	0.242	23%	0.231	C	C	.	.	H	α-helix	trans	-58	-44	175.7	-176.5	174	-70.8	-118.8	-12.8	111.1	E34 I217 F241 T253 A254 E255 M260 G261	E34-R257 IonicContact OE1-CZ 3.29Å; E34-R257 IonicContact OE1-NH1 2.83Å; E34-R257 PolarHBondContact OE1-NH1 3.34Å; I217-R257 HydrophobicContact CD1-CG 4.04Å; I217-R257 HydrophobicContact CG2-CG 4.42Å; F241-R257 VanDerWaalsContact CD1-NH2 3.31Å; F241-R257 HydrophobicContact CD2-CB 4.08Å; F241-R257 HydrophobicContact CD2-CG 4.43Å; F241-R257 HydrophobicContact CE2-CB 3.5Å; F241-R257 VanDerWaalsContact CE2-CB 3.5Å; F241-R257 HydrophobicContact CE2-CG 4.19Å; F241-R257 HydrophobicContact CZ-CB 4.06Å; T253-R257 WeakPolarHBondContact O-CB 3.41Å; T253-R257 PolarHBondContact O-N 2.93Å; T253-R257 VanDerWaalsContact O-N 3.1Å; A254-R257 WeakPolarHBondContact O-CB 3.48Å; A254-R257 PolarHBondContact O-N 3.45Å; E255-R257 VanDerWaalsContact C-N 3.33Å; E255-R257 PolarHBondContact O-N 3.01Å; R257-M260 PolarHBondContact O-N 3.44Å; R257-G261 PolarHBondContact O-N 3.31Å
258	K	77.9	Confident	84.9	Confident	97 Å²	97	47.4 Å²	47.4	42%	0.422	26%	0.255	S	S	.	.	H	α-helix	trans	-61.6	-44.7	175.7	172.6	-174.7	162	-148.7	0	111.5	A254 E255 L256 M260 G261 S262	A254-K258 WeakPolarHBondContact O-CB 3.48Å; A254-K258 PolarHBondContact O-N 3.16Å; E255-K258 WeakPolarHBondContact O-CB 3.31Å; E255-K258 PolarHBondContact O-N 3.1Å; E255-K258 IonicContact OE1-NZ 2.73Å; E255-K258 PolarHBondContact OE1-NZ 3.15Å; E255-K258 IonicContact OE2-NZ 3.64Å; E255-K258 PolarHBondContact OE2-NZ 3.2Å; L256-K258 VanDerWaalsContact C-N 3.28Å; L256-K258 PolarHBondContact O-N 3.29Å; K258-M260 VanDerWaalsContact C-N 3.33Å; K258-M260 PolarHBondContact O-N 3.33Å; K258-G261 PolarHBondContact O-N 3.46Å; K258-S262 PolarHBondContact O-N 3.06Å
259	W	83.7	Confident	84.6	Confident	31 Å²	31	46.7 Å²	46.7	12%	0.117	25%	0.251	C	S	.	.	H	α-helix	trans	-61.8	-40.8	177.5	-66.4	2.3	0	0	0	112.3	E255 L256 S262 R273 E514 C517 W518	E255-W259 HydrophobicContact CG-CZ2 4.05Å; E255-W259 PolarHBondContact O-N 3.3Å; E255-W259 PolarHBondContact OE1-NE1 3.35Å; L256-W259 PolarHBondContact O-N 2.9Å; W259-S262 CarbonylContact O-C 3.49Å; W259-R273 VanDerWaalsContact CD2-CZ 3.43Å; W259-R273 VanDerWaalsContact CE2-CZ 3.44Å; W259-R273 VanDerWaalsContact CZ2-NH2 3.34Å; W259-E514 HydrophobicContact CH2-CB 4.48Å; W259-E514 HydrophobicContact CZ2-CB 4.4Å; W259-E514 HydrophobicContact CZ2-CG 4.02Å; W259-C517 HydrophobicContact CE3-CB 4.03Å; W259-C517 HydrophobicContact CH2-CB 3.66Å; W259-C517 HydrophobicContact CZ2-CB 4.5Å; W259-C517 HydrophobicContact CZ3-CB 3.38Å; W259-W518 HydrophobicContact CH2-CH2 4.08Å; W259-W518 AromaticContact CH2-CZ2 3.52Å; W259-W518 HydrophobicContact CH2-CZ2 3.52Å; W259-W518 HydrophobicContact CZ3-CZ2 4.04Å
260	M	81	Confident	84.5	Confident	22 Å²	22	49.5 Å²	49.5	11%	0.108	27%	0.265	C	S	.	.	H	α-helix	trans	-72.1	-35	177.8	-70	-170.4	60.6	0	0	113.1	I216 L240 F241 L244 L256 R257 K258 S262	I216-M260 HydrophobicContact CG2-CB 4.08Å; I216-M260 HydrophobicContact CG2-CE 3.73Å; L240-M260 HydrophobicContact CB-CE 3.79Å; L240-M260 HydrophobicContact CD2-CE 3.79Å; L240-M260 HydrophobicContact CG-CE 3.65Å; F241-M260 HydrophobicContact CB-CE 4.02Å; F241-M260 HydrophobicContact CB-SD 4.01Å; F241-M260 HydrophobicContact CD2-SD 3.84Å; F241-M260 HydrophobicContact CG-SD 4.42Å; F241-M260 VanDerWaalsContact N-CE 3.35Å; L244-M260 HydrophobicContact CB-SD 4.48Å; L244-M260 HydrophobicContact CD1-CE 4.19Å; L244-M260 HydrophobicContact CD1-SD 4.18Å; L256-M260 HydrophobicContact CD1-CG 4.42Å; L256-M260 HydrophobicContact CG-SD 4.46Å; L256-M260 WeakPolarHBondContact O-CG 3.09Å; L256-M260 PolarHBondContact O-N 3.48Å; R257-M260 PolarHBondContact O-N 3.44Å; K258-M260 VanDerWaalsContact C-N 3.33Å; K258-M260 PolarHBondContact O-N 3.33Å; M260-S262 VanDerWaalsContact C-N 3.27Å; M260-S262 PolarHBondContact O-N 2.88Å
261	G	74.6	Confident	84.8	Confident	10 Å²	10	48.6 Å²	48.6	10%	0.103	26%	0.26	C	S	.	.	H	α-helix	trans	-75.5	-16.4	178.2	0	0	0	0	0	113.7	R257 K258	R257-G261 PolarHBondContact O-N 3.31Å; K258-G261 PolarHBondContact O-N 3.46Å
262	S	73.3	Confident	85.1	Confident	27 Å²	27	50.2 Å²	50.2	19%	0.189	27%	0.265	C	S	.	.	S	Bend	trans	-143.8	76.8	-178.7	-66.1	0	0	0	0	110.2	M203 K258 W259 M260	M203-S262 VanDerWaalsContact SD-CB 3.6Å; K258-S262 PolarHBondContact O-N 3.06Å; W259-S262 CarbonylContact O-C 3.49Å; M260-S262 VanDerWaalsContact C-N 3.27Å; M260-S262 PolarHBondContact O-N 2.88Å
263	P	80.1	Confident	85.2	Confident	36 Å²	36	52.5 Å²	52.5	23%	0.234	27%	0.274	C	S	.	.			trans	-60.1	142.1	-177.8	-19.6	31	0	0	0	110.9	M203 L204 V206	M203-P263 CarbonylContact C-O 3.48Å; M203-P263 VanDerWaalsContact CA-O 3.26Å; M203-P263 WeakPolarHBondContact CA-O 3.2Å; L204-P263 HydrophobicContact CB-CB 4.1Å; L204-P263 HydrophobicContact CD2-CB 4.5Å; L204-P263 PolarHBondContact N-O 2.86Å; V206-P263 HydrophobicContact CG2-CG 4.09Å
264	I	83.4	Confident	85.4	Confident	39 Å²	39	55.8 Å²	55.8	20%	0.2	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-83	147	-176.8	-59.3	178	0	0	0	109.7	H202 I269 I270 R273	H202-I264 HydrophobicContact CB-CG2 4.45Å; H202-I264 CarbonylContact O-C 3.59Å; H202-I264 VanDerWaalsContact O-CA 3.24Å; H202-I264 WeakPolarHBondContact O-CA 3.47Å; H202-I264 WeakPolarHBondContact O-CG2 3.18Å; I264-I269 HydrophobicContact CD1-CG2 3.65Å; I264-I269 HydrophobicContact CG2-CB 3.98Å; I264-I269 HydrophobicContact CG2-CD1 4.25Å; I264-I269 HydrophobicContact CG2-CG2 4.12Å; I264-I270 HydrophobicContact CG2-CG1 4.42Å; I264-R273 VanDerWaalsContact CD1-NH1 3.31Å
265	S	82.4	Confident	85.9	Confident	62 Å²	62	56.5 Å²	56.5	43%	0.434	29%	0.285	S	S	.	.			trans	-116.7	-2	174.9	62.6	0	0	0	0	114	H202 M203 E267	H202-S265 WeakPolarHBondContact CA-OG 3.15Å; H202-S265 PolarHBondContact O-N 3.11Å; H202-S265 PolarHBondContact O-OG 3.45Å; M203-S265 PolarHBondContact N-OG 3.37Å; S265-E267 PolarHBondContact O-N 2.79Å
266	S	86	Confident	86.3	Confident	13 Å²	13	55.6 Å²	55.6	9%	0.091	28%	0.281	C	S	.	.			trans	-73.6	117	169.5	178.8	0	0	0	0	109.9	E268 I269 I270	S266-E268 VanDerWaalsContact C-N 3.27Å; S266-E268 PolarHBondContact O-N 2.98Å; S266-E268 PolarHBondContact OG-N 3.07Å; S266-I269 PolarHBondContact O-N 3.18Å; S266-I269 PolarHBondContact OG-N 2.99Å; S266-I270 WeakPolarHBondContact O-CD1 3.3Å; S266-I270 WeakPolarHBondContact O-CG1 3.36Å; S266-I270 PolarHBondContact O-N 3.41Å
267	E	90.1	Very high	86.6	Confident	156 Å²	156	57.4 Å²	57.4	73%	0.729	29%	0.293	S	S	*	.	H	α-helix	trans	-55.9	-43.2	173.5	-174.5	177.6	175.3	0	0	111.4	S265 I269 I270 T271	S265-E267 PolarHBondContact O-N 2.79Å; E267-I269 PolarHBondContact O-N 3.17Å; E267-I270 PolarHBondContact O-N 2.89Å; E267-T271 WeakPolarHBondContact O-CB 3.22Å; E267-T271 PolarHBondContact O-N 2.94Å; E267-T271 PolarHBondContact O-OG1 3.21Å
268	E	90.6	Very high	87.1	Confident	135 Å²	135	61 Å²	61	63%	0.631	31%	0.312	S	S	*	.	H	α-helix	trans	-57.7	-47.5	179.4	-175.7	-173.5	167.2	0	0	112.2	S266 T271 R272	S266-E268 VanDerWaalsContact C-N 3.27Å; S266-E268 PolarHBondContact O-N 2.98Å; S266-E268 PolarHBondContact OG-N 3.07Å; E268-T271 PolarHBondContact O-N 3.35Å; E268-R272 WeakPolarHBondContact O-CG 3.5Å; E268-R272 PolarHBondContact O-N 3.09Å
269	I	87.6	Confident	87.9	Confident	46 Å²	46	57.9 Å²	57.9	24%	0.236	30%	0.298	C	S	.	.	H	α-helix	trans	-70.6	-37.8	-178.7	-57.9	173	0	0	0	110.7	I264 S266 E267 R272 R273	I264-I269 HydrophobicContact CD1-CG2 3.65Å; I264-I269 HydrophobicContact CG2-CB 3.98Å; I264-I269 HydrophobicContact CG2-CD1 4.25Å; I264-I269 HydrophobicContact CG2-CG2 4.12Å; S266-I269 PolarHBondContact O-N 3.18Å; S266-I269 PolarHBondContact OG-N 2.99Å; E267-I269 PolarHBondContact O-N 3.17Å; I269-R272 PolarHBondContact O-N 3.36Å; I269-R273 WeakPolarHBondContact O-CG 3.26Å; I269-R273 PolarHBondContact O-N 2.96Å
270	I	91.9	Very high	88.4	Confident	66 Å²	66	56.7 Å²	56.7	34%	0.338	29%	0.294	S	S	.	.	H	α-helix	trans	-60.7	-49.4	175.8	-68.8	164.6	0	0	0	109.6	I264 S266 E267 R272 R273 L274	I264-I270 HydrophobicContact CG2-CG1 4.42Å; S266-I270 WeakPolarHBondContact O-CD1 3.3Å; S266-I270 WeakPolarHBondContact O-CG1 3.36Å; S266-I270 PolarHBondContact O-N 3.41Å; E267-I270 PolarHBondContact O-N 2.89Å; I270-R272 PolarHBondContact O-N 3.49Å; I270-R273 PolarHBondContact O-N 3.18Å; I270-L274 HydrophobicContact CG2-CD1 3.81Å; I270-L274 HydrophobicContact CG2-CG 4.33Å; I270-L274 WeakPolarHBondContact O-CG 3.48Å; I270-L274 PolarHBondContact O-N 2.99Å
271	T	94.3	Very high	88.9	Confident	63 Å²	63	62.2 Å²	62.2	39%	0.387	32%	0.323	S	S	.	.	H	α-helix	trans	-59.5	-48.2	178.5	-58.1	0	0	0	0	111.2	E267 E268 R273 L274 D275	E267-T271 WeakPolarHBondContact O-CB 3.22Å; E267-T271 PolarHBondContact O-N 2.94Å; E267-T271 PolarHBondContact O-OG1 3.21Å; E268-T271 PolarHBondContact O-N 3.35Å; T271-R273 VanDerWaalsContact C-N 3.26Å; T271-R273 PolarHBondContact O-N 3.48Å; T271-L274 PolarHBondContact O-N 3.07Å; T271-L274 VanDerWaalsContact O-N 3.09Å; T271-D275 VanDerWaalsContact O-CG 3.25Å; T271-D275 PolarHBondContact O-N 3.34Å
272	R	92.3	Very high	89.7	Confident	51 Å²	51	63.5 Å²	63.5	19%	0.192	34%	0.337	C	S	.	.	H	α-helix	trans	-58.2	-35.9	177.4	-71.4	173.8	86	-148.5	4	113	E268 I269 I270 A276 Y344 E348	E268-R272 WeakPolarHBondContact O-CG 3.5Å; E268-R272 PolarHBondContact O-N 3.09Å; I269-R272 PolarHBondContact O-N 3.36Å; I270-R272 PolarHBondContact O-N 3.49Å; R272-A276 PolarHBondContact O-N 3.37Å; R272-Y344 HydrophobicContact CB-CD1 4.08Å; R272-Y344 HydrophobicContact CB-CG 4.21Å; R272-E348 IonicContact CZ-OE1 3.45Å; R272-E348 IonicContact NH1-OE1 2.74Å; R272-E348 PolarHBondContact NH1-OE1 3.11Å; R272-E348 IonicContact NH2-OE1 3.28Å
273	R	92.9	Very high	90.3	Very high	49 Å²	49	65.4 Å²	65.4	19%	0.185	36%	0.36	C	S	.	.	H	α-helix	trans	-72.6	-40.9	175.5	-76.8	178.6	176.3	-161.7	-0.6	112.3	W259 I264 I269 I270 T271 A276 V277 Y344	W259-R273 VanDerWaalsContact CD2-CZ 3.43Å; W259-R273 VanDerWaalsContact CE2-CZ 3.44Å; W259-R273 VanDerWaalsContact CZ2-NH2 3.34Å; I264-R273 VanDerWaalsContact CD1-NH1 3.31Å; I269-R273 WeakPolarHBondContact O-CG 3.26Å; I269-R273 PolarHBondContact O-N 2.96Å; I270-R273 PolarHBondContact O-N 3.18Å; T271-R273 VanDerWaalsContact C-N 3.26Å; T271-R273 PolarHBondContact O-N 3.48Å; R273-A276 PolarHBondContact O-N 3.41Å; R273-V277 WeakPolarHBondContact O-CG2 3.4Å; R273-V277 PolarHBondContact O-N 3.23Å; R273-V277 VanDerWaalsContact O-N 3.13Å; R273-Y344 HydrophobicContact CG-CD1 4.48Å; R273-Y344 HydrophobicContact CG-CE1 3.72Å
274	L	93	Very high	90.7	Very high	107 Å²	107	71 Å²	71	56%	0.56	38%	0.381	S	S	*	.	H	α-helix	trans	-65.9	-40.9	177.2	-70.9	174	0	0	0	111.4	I270 T271 A276 V277 E278	I270-L274 HydrophobicContact CG2-CD1 3.81Å; I270-L274 HydrophobicContact CG2-CG 4.33Å; I270-L274 WeakPolarHBondContact O-CG 3.48Å; I270-L274 PolarHBondContact O-N 2.99Å; T271-L274 PolarHBondContact O-N 3.07Å; T271-L274 VanDerWaalsContact O-N 3.09Å; L274-A276 VanDerWaalsContact C-N 3.29Å; L274-A276 PolarHBondContact O-N 2.84Å; L274-V277 PolarHBondContact O-N 3.48Å; L274-V277 VanDerWaalsContact O-N 3.16Å; L274-E278 WeakPolarHBondContact O-CB 3.2Å; L274-E278 PolarHBondContact O-N 3.32Å
275	D	93.1	Very high	91.1	Very high	74 Å²	74	69.1 Å²	69.1	40%	0.396	37%	0.372	S	S	.	.	H	α-helix	trans	-58.7	-40.7	174.9	-69.9	-17.5	0	0	0	111.8	T271 E278 F279	T271-D275 VanDerWaalsContact O-CG 3.25Å; T271-D275 PolarHBondContact O-N 3.34Å; D275-E278 PolarHBondContact O-N 2.89Å; D275-F279 WeakPolarHBondContact O-CB 3.32Å; D275-F279 PolarHBondContact O-N 2.78Å
276	A	93.3	Very high	91.7	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-65.3	-42.5	176.4	0	0	0	0	0	111.8	R272 R273 L274 F279 F280 L343 W518	R272-A276 PolarHBondContact O-N 3.37Å; R273-A276 PolarHBondContact O-N 3.41Å; L274-A276 VanDerWaalsContact C-N 3.29Å; L274-A276 PolarHBondContact O-N 2.84Å; A276-F279 PolarHBondContact O-N 2.89Å; A276-F280 WeakPolarHBondContact O-CD2 3.27Å; A276-F280 PolarHBondContact O-N 3.02Å; A276-L343 HydrophobicContact CB-CD2 4.1Å; A276-W518 HydrophobicContact CB-CD2 4.32Å
277	V	93.3	Very high	92	Very high	58 Å²	58	74.8 Å²	74.8	35%	0.352	40%	0.395	S	S	.	.	H	α-helix	trans	-63.3	-47.6	175.4	172.5	0	0	0	0	110.8	R273 L274 F279 F280 L281	R273-V277 WeakPolarHBondContact O-CG2 3.4Å; R273-V277 PolarHBondContact O-N 3.23Å; R273-V277 VanDerWaalsContact O-N 3.13Å; L274-V277 PolarHBondContact O-N 3.48Å; L274-V277 VanDerWaalsContact O-N 3.16Å; V277-F279 VanDerWaalsContact C-N 3.28Å; V277-F279 PolarHBondContact O-N 3.49Å; V277-F280 PolarHBondContact O-N 3.06Å; V277-L281 HydrophobicContact CG1-CD1 3.92Å; V277-L281 HydrophobicContact CG1-CG 4.42Å; V277-L281 WeakPolarHBondContact O-CG 3.46Å; V277-L281 PolarHBondContact O-N 3.43Å
278	E	93.8	Very high	92.3	Very high	138 Å²	138	67.8 Å²	67.8	65%	0.645	36%	0.362	S	S	*	.	H	α-helix	trans	-59	-42.1	178	-174.7	176.2	-177.1	0	0	111.3	L274 D275 L281 G282	L274-E278 WeakPolarHBondContact O-CB 3.2Å; L274-E278 PolarHBondContact O-N 3.32Å; D275-E278 PolarHBondContact O-N 2.89Å; E278-L281 PolarHBondContact O-N 2.6Å; E278-G282 PolarHBondContact O-N 3.38Å
279	F	94.4	Very high	92.5	Very high	32 Å²	32	62.8 Å²	62.8	14%	0.14	34%	0.34	C	S	.	.	H	α-helix	trans	-59.7	-48.7	175	169.8	-102.4	0	0	0	112.2	D275 A276 V277 L281 G282 G285 L288 Y339 K342 L343	D275-F279 WeakPolarHBondContact O-CB 3.32Å; D275-F279 PolarHBondContact O-N 2.78Å; A276-F279 PolarHBondContact O-N 2.89Å; V277-F279 VanDerWaalsContact C-N 3.28Å; V277-F279 PolarHBondContact O-N 3.49Å; F279-L281 VanDerWaalsContact C-N 3.26Å; F279-L281 PolarHBondContact O-N 3.38Å; F279-G282 PolarHBondContact O-N 2.97Å; F279-G282 VanDerWaalsContact O-N 3.08Å; F279-G285 WeakPolarHBondContact O-CA 3.31Å; F279-L288 HydrophobicContact CE1-CD2 3.89Å; F279-L288 HydrophobicContact CZ-CD2 4.06Å; F279-Y339 HydrophobicContact CE1-CD1 4.36Å; F279-Y339 HydrophobicContact CE1-CG 4.25Å; F279-Y339 AromaticContact CE2-CD1 3.56Å; F279-Y339 HydrophobicContact CE2-CD1 3.56Å; F279-Y339 AromaticContact CE2-CE1 3.91Å; F279-Y339 HydrophobicContact CE2-CE1 3.91Å; F279-Y339 HydrophobicContact CE2-CG 4.24Å; F279-Y339 AromaticContact CZ-CD1 3.3Å; F279-Y339 HydrophobicContact CZ-CD1 3.3Å; F279-Y339 HydrophobicContact CZ-CD2 4.2Å; F279-Y339 AromaticContact CZ-CE1 3.68Å; F279-Y339 HydrophobicContact CZ-CE1 3.68Å; F279-Y339 AromaticContact CZ-CG 3.57Å; F279-Y339 HydrophobicContact CZ-CG 3.57Å; F279-K342 HydrophobicContact CB-CB 4.26Å; F279-K342 HydrophobicContact CD2-CB 4.09Å; F279-K342 HydrophobicContact CD2-CG 4.14Å; F279-K342 HydrophobicContact CG-CB 4.03Å; F279-L343 HydrophobicContact CD1-CD2 3.75Å; F279-L343 HydrophobicContact CD1-CG 4.21Å; F279-L343 HydrophobicContact CE1-CD1 4.17Å; F279-L343 HydrophobicContact CE1-CD2 4.16Å; F279-L343 HydrophobicContact CE1-CG 4.21Å
280	F	94.2	Very high	92.8	Very high	6 Å²	6	63.7 Å²	63.7	3%	0.026	35%	0.35	C	S	.	.	H	α-helix	trans	-66.6	-26.2	-179.7	-75.1	-53.1	0	0	0	113.6	A276 V277 G282 G285 T286 L288 L289 I292 L343 W518	A276-F280 WeakPolarHBondContact O-CD2 3.27Å; A276-F280 PolarHBondContact O-N 3.02Å; V277-F280 PolarHBondContact O-N 3.06Å; F280-G282 VanDerWaalsContact C-N 3.3Å; F280-G285 CarbonylContact O-C 3.3Å; F280-T286 WeakPolarHBondContact O-CA 3.4Å; F280-T286 PolarHBondContact O-N 3.02Å; F280-T286 PolarHBondContact O-OG1 3.31Å; F280-T286 VanDerWaalsContact O-OG1 3.05Å; F280-L288 HydrophobicContact CE1-CD2 4.29Å; F280-L289 HydrophobicContact CB-CD1 4.43Å; F280-L289 HydrophobicContact CB-CD2 4.34Å; F280-L289 HydrophobicContact CD1-CB 3.99Å; F280-L289 HydrophobicContact CD1-CD1 3.72Å; F280-L289 HydrophobicContact CD1-CG 4.38Å; F280-L289 HydrophobicContact CD2-CD1 4.4Å; F280-L289 HydrophobicContact CE1-CD1 3.99Å; F280-L289 HydrophobicContact CG-CD1 3.95Å; F280-L289 HydrophobicContact CZ-CD1 4.43Å; F280-I292 HydrophobicContact CE1-CD1 3.91Å; F280-I292 HydrophobicContact CZ-CD1 4.18Å; F280-L343 HydrophobicContact CD2-CD2 4.39Å; F280-L343 HydrophobicContact CE1-CD1 4.46Å; F280-L343 HydrophobicContact CE1-CD2 4.35Å; F280-L343 HydrophobicContact CE2-CD2 3.61Å; F280-L343 HydrophobicContact CZ-CD1 3.99Å; F280-L343 HydrophobicContact CZ-CD2 3.59Å; F280-L343 HydrophobicContact CZ-CG 4.46Å; F280-W518 HydrophobicContact CD2-CB 3.68Å; F280-W518 HydrophobicContact CD2-CG 4.31Å; F280-W518 HydrophobicContact CE2-CB 3.78Å; F280-W518 HydrophobicContact CE2-CD2 4.29Å; F280-W518 AromaticContact CE2-CE3 3.94Å; F280-W518 HydrophobicContact CE2-CE3 3.94Å; F280-W518 HydrophobicContact CE2-CG 4.25Å
281	L	93.1	Very high	93	Very high	138 Å²	138	64.1 Å²	64.1	72%	0.723	35%	0.351	S	S	*	.	H	α-helix	trans	-75.8	-15.6	173.4	-68.5	173.6	0	0	0	113.6	V277 E278 F279 T286	V277-L281 HydrophobicContact CG1-CD1 3.92Å; V277-L281 HydrophobicContact CG1-CG 4.42Å; V277-L281 WeakPolarHBondContact O-CG 3.46Å; V277-L281 PolarHBondContact O-N 3.43Å; E278-L281 PolarHBondContact O-N 2.6Å; F279-L281 VanDerWaalsContact C-N 3.26Å; F279-L281 PolarHBondContact O-N 3.38Å; L281-T286 PolarHBondContact O-OG1 3.16Å
282	G	90.4	Very high	93.1	Very high	37 Å²	37	61.1 Å²	61.1	38%	0.381	33%	0.333	S	S	.	.	S	Bend	trans	-106.5	128	-173.6	0	0	0	0	0	114.7	E278 F279 F280 K284 G285	E278-G282 PolarHBondContact O-N 3.38Å; F279-G282 PolarHBondContact O-N 2.97Å; F279-G282 VanDerWaalsContact O-N 3.08Å; F280-G282 VanDerWaalsContact C-N 3.3Å; G282-K284 PolarHBondContact O-N 3.29Å; G282-G285 WeakPolarHBondContact O-CA 3.4Å; G282-G285 PolarHBondContact O-N 3.1Å
283	G	86	Confident	93.3	Very high	67 Å²	67	62.2 Å²	62.2	69%	0.691	34%	0.336	S	S	*	.	H	α-helix	trans	40.1	-105.5	162.3	0	0	0	0	0	115.7	G285 T286	G283-G285 VanDerWaalsContact C-N 3.31Å; G283-G285 PolarHBondContact O-N 3.27Å; G283-T286 PolarHBondContact O-N 3.42Å
284	K	89.1	Confident	93.4	Very high	154 Å²	154	64 Å²	64	67%	0.67	35%	0.353	S	S	*	.	H	α-helix	trans	-62	-34.7	179.9	-68.8	-174.1	179.2	-178.8	0	113.1	G282 T286 Q287 L288	G282-K284 PolarHBondContact O-N 3.29Å; K284-T286 VanDerWaalsContact C-N 3.32Å; K284-T286 PolarHBondContact O-N 2.83Å; K284-Q287 PolarHBondContact O-N 3.1Å; K284-L288 WeakPolarHBondContact O-CB 3.37Å; K284-L288 PolarHBondContact O-N 3.46Å
285	G	91.7	Very high	93.6	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-65.3	-35.4	179.2	0	0	0	0	0	112.2	F279 F280 G282 G283 L288 L289	F279-G285 WeakPolarHBondContact O-CA 3.31Å; F280-G285 CarbonylContact O-C 3.3Å; G282-G285 WeakPolarHBondContact O-CA 3.4Å; G282-G285 PolarHBondContact O-N 3.1Å; G283-G285 VanDerWaalsContact C-N 3.31Å; G283-G285 PolarHBondContact O-N 3.27Å; G285-L288 PolarHBondContact O-N 3Å; G285-L289 WeakPolarHBondContact O-CB 3.45Å; G285-L289 PolarHBondContact O-N 3.29Å
286	T	93.6	Very high	93.8	Very high	73 Å²	73	55.9 Å²	55.9	45%	0.448	31%	0.31	S	S	.	.	H	α-helix	trans	-66.6	-41.3	177.1	-50.2	0	0	0	0	112.3	F280 L281 G283 K284 L289 S290	F280-T286 WeakPolarHBondContact O-CA 3.4Å; F280-T286 PolarHBondContact O-N 3.02Å; F280-T286 PolarHBondContact O-OG1 3.31Å; F280-T286 VanDerWaalsContact O-OG1 3.05Å; L281-T286 PolarHBondContact O-OG1 3.16Å; G283-T286 PolarHBondContact O-N 3.42Å; K284-T286 VanDerWaalsContact C-N 3.32Å; K284-T286 PolarHBondContact O-N 2.83Å; T286-L289 PolarHBondContact O-N 3.39Å; T286-S290 PolarHBondContact O-N 3Å; T286-S290 VanDerWaalsContact O-N 3.15Å
287	Q	94.1	Very high	93.9	Very high	120 Å²	120	63.2 Å²	63.2	56%	0.561	34%	0.343	S	S	*	.	H	α-helix	trans	-64	-48.1	173.7	-176.2	-177.2	-15.3	0	0	110.7	K284 L289 S290 E291	K284-Q287 PolarHBondContact O-N 3.1Å; Q287-L289 VanDerWaalsContact C-N 3.27Å; Q287-L289 PolarHBondContact O-N 3.01Å; Q287-S290 WeakPolarHBondContact O-CB 3.44Å; Q287-S290 PolarHBondContact O-N 2.86Å; Q287-S290 VanDerWaalsContact O-N 3.08Å; Q287-S290 PolarHBondContact O-OG 2.67Å; Q287-E291 PolarHBondContact NE2-OE1 3.21Å; Q287-E291 PolarHBondContact O-N 3.47Å; Q287-E291 VanDerWaalsContact O-N 3.13Å
288	L	95.2	Very high	94	Very high	9 Å²	9	65 Å²	65	5%	0.047	34%	0.343	C	S	.	.	H	α-helix	trans	-57	-41.7	176.4	174.2	64.1	0	0	0	111.6	F279 F280 K284 G285 S290 E291 I292 M335 Y339	F279-L288 HydrophobicContact CE1-CD2 3.89Å; F279-L288 HydrophobicContact CZ-CD2 4.06Å; F280-L288 HydrophobicContact CE1-CD2 4.29Å; K284-L288 WeakPolarHBondContact O-CB 3.37Å; K284-L288 PolarHBondContact O-N 3.46Å; G285-L288 PolarHBondContact O-N 3Å; L288-S290 VanDerWaalsContact C-N 3.3Å; L288-S290 PolarHBondContact O-N 3.02Å; L288-E291 PolarHBondContact O-N 3.17Å; L288-I292 HydrophobicContact CD1-CD1 3.91Å; L288-I292 HydrophobicContact CD1-CG1 3.98Å; L288-I292 HydrophobicContact CD2-CD1 4.17Å; L288-I292 HydrophobicContact CG-CD1 3.65Å; L288-I292 HydrophobicContact CG-CG1 4.17Å; L288-I292 WeakPolarHBondContact O-CB 3.29Å; L288-I292 VanDerWaalsContact O-CG1 3.29Å; L288-I292 WeakPolarHBondContact O-CG1 3.28Å; L288-I292 PolarHBondContact O-N 2.97Å; L288-M335 HydrophobicContact CD1-CB 3.9Å; L288-Y339 HydrophobicContact CD2-CD2 3.56Å; L288-Y339 HydrophobicContact CD2-CE2 3.6Å; L288-Y339 HydrophobicContact CD2-CG 4.33Å
289	L	94.6	Very high	94.1	Very high	30 Å²	30	59.1 Å²	59.1	16%	0.157	32%	0.316	C	S	.	.	H	α-helix	trans	-60.1	-41.5	177.3	-166.8	66.5	0	0	0	111.4	F280 G285 T286 Q287 E291 I292 R293	F280-L289 HydrophobicContact CB-CD1 4.43Å; F280-L289 HydrophobicContact CB-CD2 4.34Å; F280-L289 HydrophobicContact CD1-CB 3.99Å; F280-L289 HydrophobicContact CD1-CD1 3.72Å; F280-L289 HydrophobicContact CD1-CG 4.38Å; F280-L289 HydrophobicContact CD2-CD1 4.4Å; F280-L289 HydrophobicContact CE1-CD1 3.99Å; F280-L289 HydrophobicContact CG-CD1 3.95Å; F280-L289 HydrophobicContact CZ-CD1 4.43Å; G285-L289 WeakPolarHBondContact O-CB 3.45Å; G285-L289 PolarHBondContact O-N 3.29Å; T286-L289 PolarHBondContact O-N 3.39Å; Q287-L289 VanDerWaalsContact C-N 3.27Å; Q287-L289 PolarHBondContact O-N 3.01Å; L289-E291 VanDerWaalsContact C-N 3.33Å; L289-E291 PolarHBondContact O-N 2.88Å; L289-I292 PolarHBondContact O-N 3.41Å; L289-R293 WeakPolarHBondContact O-CB 3.25Å; L289-R293 WeakPolarHBondContact O-CG 3.38Å; L289-R293 PolarHBondContact O-N 3.47Å
290	S	94.3	Very high	94	Very high	65 Å²	65	58.4 Å²	58.4	46%	0.455	32%	0.318	S	S	.	.	H	α-helix	trans	-62.5	-40.7	176.8	77.8	0	0	0	0	112.2	T286 Q287 L288 T294	T286-S290 PolarHBondContact O-N 3Å; T286-S290 VanDerWaalsContact O-N 3.15Å; Q287-S290 WeakPolarHBondContact O-CB 3.44Å; Q287-S290 PolarHBondContact O-N 2.86Å; Q287-S290 VanDerWaalsContact O-N 3.08Å; Q287-S290 PolarHBondContact O-OG 2.67Å; L288-S290 VanDerWaalsContact C-N 3.3Å; L288-S290 PolarHBondContact O-N 3.02Å; S290-T294 VanDerWaalsContact O-CG2 3.29Å; S290-T294 WeakPolarHBondContact O-CG2 3.36Å; S290-T294 PolarHBondContact O-N 3.3Å
291	E	95.8	Very high	93.8	Very high	76 Å²	76	59.8 Å²	59.8	36%	0.355	33%	0.326	S	S	.	.	H	α-helix	trans	-68.2	-46.9	176.1	-66.9	172.6	-162.1	0	0	110.8	Q287 L288 L289 R293 T294 V295 M335	Q287-E291 PolarHBondContact NE2-OE1 3.21Å; Q287-E291 PolarHBondContact O-N 3.47Å; Q287-E291 VanDerWaalsContact O-N 3.13Å; L288-E291 PolarHBondContact O-N 3.17Å; L289-E291 VanDerWaalsContact C-N 3.33Å; L289-E291 PolarHBondContact O-N 2.88Å; E291-R293 VanDerWaalsContact C-N 3.34Å; E291-R293 PolarHBondContact O-N 3.47Å; E291-T294 WeakPolarHBondContact O-CB 3.22Å; E291-T294 PolarHBondContact O-N 2.93Å; E291-T294 PolarHBondContact O-OG1 3.39Å; E291-V295 PolarHBondContact O-N 3.2Å; E291-V295 VanDerWaalsContact O-N 3.15Å; E291-M335 HydrophobicContact CB-SD 4.22Å
292	I	96.2	Very high	93.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-53.8	-48.6	174.4	-76.2	173.6	0	0	0	110.9	F280 L288 L289 T294 V295 L296 L332 M335 I515	F280-I292 HydrophobicContact CE1-CD1 3.91Å; F280-I292 HydrophobicContact CZ-CD1 4.18Å; L288-I292 HydrophobicContact CD1-CD1 3.91Å; L288-I292 HydrophobicContact CD1-CG1 3.98Å; L288-I292 HydrophobicContact CD2-CD1 4.17Å; L288-I292 HydrophobicContact CG-CD1 3.65Å; L288-I292 HydrophobicContact CG-CG1 4.17Å; L288-I292 WeakPolarHBondContact O-CB 3.29Å; L288-I292 VanDerWaalsContact O-CG1 3.29Å; L288-I292 WeakPolarHBondContact O-CG1 3.28Å; L288-I292 PolarHBondContact O-N 2.97Å; L289-I292 PolarHBondContact O-N 3.41Å; I292-T294 PolarHBondContact O-N 3.33Å; I292-V295 PolarHBondContact O-N 3.38Å; I292-L296 HydrophobicContact CG2-CD1 3.49Å; I292-L296 VanDerWaalsContact CG2-CD1 3.49Å; I292-L296 HydrophobicContact CG2-CG 3.99Å; I292-L296 WeakPolarHBondContact O-CG 3.5Å; I292-L296 PolarHBondContact O-N 3.46Å; I292-L332 HydrophobicContact CB-CD2 4.26Å; I292-L332 HydrophobicContact CG1-CD2 4.08Å; I292-L332 HydrophobicContact CG2-CD2 3.89Å; I292-M335 HydrophobicContact CG1-CE 4.15Å; I292-I515 HydrophobicContact CD1-CG2 4.07Å; I292-I515 HydrophobicContact CG2-CG2 3.61Å
293	R	96.5	Very high	93.5	Very high	73 Å²	73	52.6 Å²	52.6	28%	0.275	28%	0.278	S	S	.	.	H	α-helix	trans	-60.4	-32.3	178.3	-75.3	-177.9	73.7	76.9	4.9	112.4	H246 L248 L289 E291 S519	H246-R293 PolarHBondContact O-NH1 2.97Å; H246-R293 PolarHBondContact O-NH2 3.04Å; L248-R293 HydrophobicContact CD1-CB 3.79Å; L248-R293 HydrophobicContact CD1-CG 3.98Å; L248-R293 WeakPolarHBondContact CD1-O 3.46Å; L289-R293 WeakPolarHBondContact O-CB 3.25Å; L289-R293 WeakPolarHBondContact O-CG 3.38Å; L289-R293 PolarHBondContact O-N 3.47Å; E291-R293 VanDerWaalsContact C-N 3.34Å; E291-R293 PolarHBondContact O-N 3.47Å; R293-S519 PolarHBondContact NH1-O 3.48Å; R293-S519 PolarHBondContact NH1-OG 3.04Å; R293-S519 PolarHBondContact NH1-OXT 3.46Å; R293-S519 VanDerWaalsContact NH1-OXT 3.11Å
294	T	96.4	Very high	93.6	Very high	87 Å²	87	53.1 Å²	53.1	53%	0.534	26%	0.262	S	S	.	.	H	α-helix	trans	-69.7	-36.6	175	70.8	0	0	0	0	111.8	S290 E291 I292	S290-T294 VanDerWaalsContact O-CG2 3.29Å; S290-T294 WeakPolarHBondContact O-CG2 3.36Å; S290-T294 PolarHBondContact O-N 3.3Å; E291-T294 WeakPolarHBondContact O-CB 3.22Å; E291-T294 PolarHBondContact O-N 2.93Å; E291-T294 PolarHBondContact O-OG1 3.39Å; I292-T294 PolarHBondContact O-N 3.33Å
295	V	97.2	Very high	93.7	Very high	10 Å²	10	46.1 Å²	46.1	6%	0.061	23%	0.231	C	C	.	.	H	α-helix	trans	-75.7	-41.3	179.7	178.5	0	0	0	0	111.8	E291 I292 K297 R298 A328 A331 L332 M335	E291-V295 PolarHBondContact O-N 3.2Å; E291-V295 VanDerWaalsContact O-N 3.15Å; I292-V295 PolarHBondContact O-N 3.38Å; V295-K297 PolarHBondContact O-N 3.09Å; V295-R298 WeakPolarHBondContact O-CB 3.23Å; V295-R298 PolarHBondContact O-N 2.83Å; V295-A328 HydrophobicContact CG1-CB 3.72Å; V295-A328 VanDerWaalsContact CG1-O 3.3Å; V295-A328 WeakPolarHBondContact CG1-O 3.34Å; V295-A331 HydrophobicContact CG1-CB 4.08Å; V295-L332 HydrophobicContact CB-CD2 4.28Å; V295-L332 HydrophobicContact CB-CG 4.42Å; V295-L332 HydrophobicContact CG1-CD1 4.32Å; V295-L332 HydrophobicContact CG1-CD2 4.17Å; V295-L332 HydrophobicContact CG1-CG 3.77Å; V295-M335 HydrophobicContact CB-CE 3.95Å; V295-M335 HydrophobicContact CG1-CE 4.27Å; V295-M335 HydrophobicContact CG2-CE 3.59Å; V295-M335 HydrophobicContact CG2-SD 4.26Å
296	L	96.6	Very high	93.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-57.9	-30.5	-179.6	-77.6	169.9	0	0	0	113.4	L248 T249 I292 R298 V299 L332 A512 D516	L248-L296 HydrophobicContact CB-CB 4.17Å; L248-L296 HydrophobicContact CD1-CB 3.99Å; T249-L296 HydrophobicContact CG2-CB 4.33Å; T249-L296 HydrophobicContact CG2-CD2 3.99Å; I292-L296 HydrophobicContact CG2-CD1 3.49Å; I292-L296 VanDerWaalsContact CG2-CD1 3.49Å; I292-L296 HydrophobicContact CG2-CG 3.99Å; I292-L296 WeakPolarHBondContact O-CG 3.5Å; I292-L296 PolarHBondContact O-N 3.46Å; L296-R298 PolarHBondContact O-N 3.17Å; L296-V299 HydrophobicContact CD2-CG2 4.39Å; L296-V299 WeakPolarHBondContact O-CB 3.43Å; L296-V299 PolarHBondContact O-N 2.72Å; L296-L332 HydrophobicContact CD2-CD1 3.76Å; L296-L332 HydrophobicContact CD2-CD2 4.39Å; L296-L332 HydrophobicContact CG-CD1 4.4Å; L296-L332 HydrophobicContact CG-CD2 4.28Å; L296-A512 HydrophobicContact CD2-CB 4.46Å; L296-D516 HydrophobicContact CD1-CB 3.93Å; L296-D516 HydrophobicContact CD2-CB 4.05Å
297	K	95.4	Very high	93.4	Very high	155 Å²	155	43.8 Å²	43.8	67%	0.674	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-21.3	174.9	-68.6	177.1	-174.9	179.9	0	114	L248 V295	L248-K297 HydrophobicContact CD1-CG 4.2Å; V295-K297 PolarHBondContact O-N 3.09Å
298	R	95.1	Very high	93.1	Very high	96 Å²	96	41.3 Å²	41.3	36%	0.362	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-9.2	179.3	-61.1	-174.8	-70.9	156	1.5	112.8	V295 L296 G300 D327 A328	V295-R298 WeakPolarHBondContact O-CB 3.23Å; V295-R298 PolarHBondContact O-N 2.83Å; L296-R298 PolarHBondContact O-N 3.17Å; R298-G300 PolarHBondContact O-N 3.08Å; R298-D327 IonicContact CZ-OD2 3.1Å; R298-D327 IonicContact NH1-OD2 3.65Å; R298-D327 PolarHBondContact NH1-OD2 3.13Å; R298-D327 IonicContact NH2-OD2 2.79Å; R298-A328 HydrophobicContact CB-CB 3.95Å
299	V	95.6	Very high	92.9	Very high	14 Å²	14	41 Å²	41	9%	0.085	20%	0.2	C	C	.	.			trans	-78.3	110.1	178.8	178.3	0	0	0	0	109.2	T249 L296 T325 A328 L332	T249-V299 HydrophobicContact CG2-CB 3.79Å; T249-V299 HydrophobicContact CG2-CG1 3.97Å; L296-V299 HydrophobicContact CD2-CG2 4.39Å; L296-V299 WeakPolarHBondContact O-CB 3.43Å; L296-V299 PolarHBondContact O-N 2.72Å; V299-T325 HydrophobicContact CG1-CG2 4.11Å; V299-A328 HydrophobicContact CG2-CB 3.69Å; V299-L332 HydrophobicContact CG2-CD1 4.14Å
300	G	92.8	Very high	92.5	Very high	17 Å²	17	40.6 Å²	40.6	18%	0.175	20%	0.197	C	C	.	.			trans	-83.4	177.7	174.6	0	0	0	0	0	113.1	R298 T302 T325	R298-G300 PolarHBondContact O-N 3.08Å; G300-T302 PolarHBondContact O-N 2.77Å; G300-T302 PolarHBondContact O-OG1 2.87Å; G300-T325 PolarHBondContact N-OG1 2.79Å
301	N	90.3	Very high	91.9	Very high	35 Å²	35	40.1 Å²	40.1	19%	0.187	19%	0.192	C	C	.	.			trans	-78.7	88	175.4	-172.3	-26.9	0	0	0	110.7	Q303 K304 I305	N301-Q303 PolarHBondContact O-N 2.76Å; N301-Q303 PolarHBondContact OD1-N 2.86Å; N301-K304 HydrophobicContact CB-CB 4.14Å; N301-K304 PolarHBondContact O-N 2.91Å; N301-K304 WeakPolarHBondContact OD1-CB 3.31Å; N301-K304 PolarHBondContact OD1-N 3.26Å; N301-I305 WeakPolarHBondContact O-CG1 3.33Å; N301-I305 PolarHBondContact O-N 3.48Å; N301-I305 VanDerWaalsContact O-N 3.16Å
302	T	91.1	Very high	91.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59.6	-43.1	-177.5	-6.9	0	0	0	0	112.8	G300 K304 I305 I306 I322 T325 M329 I505 S509	G300-T302 PolarHBondContact O-N 2.77Å; G300-T302 PolarHBondContact O-OG1 2.87Å; T302-K304 VanDerWaalsContact C-N 3.34Å; T302-K304 PolarHBondContact O-N 3.17Å; T302-I305 PolarHBondContact O-N 2.98Å; T302-I306 HydrophobicContact CG2-CD1 4.49Å; T302-I306 WeakPolarHBondContact O-CB 3.04Å; T302-I306 VanDerWaalsContact O-CG1 3.27Å; T302-I306 WeakPolarHBondContact O-CG1 3.48Å; T302-I306 PolarHBondContact O-N 2.81Å; T302-I322 HydrophobicContact CG2-CD1 3.47Å; T302-I322 VanDerWaalsContact CG2-CD1 3.47Å; T302-T325 HydrophobicContact CG2-CG2 4.01Å; T302-M329 HydrophobicContact CG2-CE 3.97Å; T302-I505 HydrophobicContact CG2-CG2 3.46Å; T302-I505 VanDerWaalsContact CG2-CG2 3.46Å; T302-S509 PolarHBondContact OG1-OG 3.24Å
303	Q	86.1	Confident	90.9	Very high	23 Å²	23	43.2 Å²	43.2	11%	0.107	22%	0.222	C	C	.	.	H	α-helix	trans	-58.8	-45.8	178.5	-73.6	168.8	4.8	0	0	111.4	V193 N301 I305 I306 L307 L506	V193-Q303 HydrophobicContact CG1-CG 4.4Å; N301-Q303 PolarHBondContact O-N 2.76Å; N301-Q303 PolarHBondContact OD1-N 2.86Å; Q303-I305 VanDerWaalsContact C-N 3.34Å; Q303-I305 PolarHBondContact O-N 2.87Å; Q303-I306 PolarHBondContact O-N 3.5Å; Q303-L307 WeakPolarHBondContact O-CB 3.29Å; Q303-L307 PolarHBondContact O-N 3.06Å; Q303-L506 HydrophobicContact CG-CD2 3.64Å
304	K	87.3	Confident	90.5	Very high	79 Å²	79	40.6 Å²	40.6	34%	0.343	22%	0.216	S	C	.	.	H	α-helix	trans	-64.7	-38.2	178.4	-175.6	174.8	-178.3	174.7	0	112.5	N301 T302 R308	N301-K304 HydrophobicContact CB-CB 4.14Å; N301-K304 PolarHBondContact O-N 2.91Å; N301-K304 WeakPolarHBondContact OD1-CB 3.31Å; N301-K304 PolarHBondContact OD1-N 3.26Å; T302-K304 VanDerWaalsContact C-N 3.34Å; T302-K304 PolarHBondContact O-N 3.17Å; K304-R308 WeakPolarHBondContact O-CG 3.43Å; K304-R308 PolarHBondContact O-N 3.42Å; K304-R308 VanDerWaalsContact O-N 3.13Å
305	I	92	Very high	90.2	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.031	21%	0.208	C	C	.	.	H	α-helix	trans	-68.9	-46.2	178.2	-68	165.8	0	0	0	110.6	N301 T302 Q303 L307 R308 M309 D318 I321 I322	N301-I305 WeakPolarHBondContact O-CG1 3.33Å; N301-I305 PolarHBondContact O-N 3.48Å; N301-I305 VanDerWaalsContact O-N 3.16Å; T302-I305 PolarHBondContact O-N 2.98Å; Q303-I305 VanDerWaalsContact C-N 3.34Å; Q303-I305 PolarHBondContact O-N 2.87Å; I305-L307 VanDerWaalsContact C-N 3.31Å; I305-L307 PolarHBondContact O-N 3.26Å; I305-R308 PolarHBondContact O-N 3.35Å; I305-R308 VanDerWaalsContact O-N 3.15Å; I305-M309 HydrophobicContact CG2-CE 3.55Å; I305-M309 HydrophobicContact CG2-CG 4.48Å; I305-M309 HydrophobicContact CG2-SD 4Å; I305-M309 WeakPolarHBondContact O-CG 3.23Å; I305-M309 PolarHBondContact O-N 2.95Å; I305-D318 HydrophobicContact CG1-CB 4.22Å; I305-D318 HydrophobicContact CG2-CB 4.02Å; I305-I321 HydrophobicContact CD1-CB 3.85Å; I305-I321 HydrophobicContact CD1-CG2 3.49Å; I305-I321 VanDerWaalsContact CD1-CG2 3.49Å; I305-I322 HydrophobicContact CG2-CB 4.2Å; I305-I322 HydrophobicContact CG2-CD1 4.4Å
306	I	92.1	Very high	89.9	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-58.4	-45.5	177.3	-70.8	166.7	0	0	0	110.3	V193 T302 Q303 R308 M309 Q310 L499 T502 I505 L506	V193-I306 HydrophobicContact CG1-CG2 4.27Å; T302-I306 HydrophobicContact CG2-CD1 4.49Å; T302-I306 WeakPolarHBondContact O-CB 3.04Å; T302-I306 VanDerWaalsContact O-CG1 3.27Å; T302-I306 WeakPolarHBondContact O-CG1 3.48Å; T302-I306 PolarHBondContact O-N 2.81Å; Q303-I306 PolarHBondContact O-N 3.5Å; I306-R308 VanDerWaalsContact C-N 3.34Å; I306-R308 PolarHBondContact O-N 3.35Å; I306-M309 WeakPolarHBondContact O-CB 3.48Å; I306-M309 PolarHBondContact O-N 3.43Å; I306-M309 VanDerWaalsContact O-N 3.13Å; I306-Q310 HydrophobicContact CG2-CG 4.49Å; I306-Q310 WeakPolarHBondContact O-CG 3.28Å; I306-Q310 PolarHBondContact O-N 3.01Å; I306-L499 HydrophobicContact CG2-CD2 4.04Å; I306-T502 HydrophobicContact CD1-CG2 4.21Å; I306-T502 HydrophobicContact CG2-CG2 3.84Å; I306-I505 HydrophobicContact CD1-CB 4.41Å; I306-I505 HydrophobicContact CD1-CG2 3.97Å; I306-L506 HydrophobicContact CD1-CD2 3.84Å; I306-L506 HydrophobicContact CD1-CG 4.09Å
307	L	86.2	Confident	89.7	Confident	24 Å²	24	42.9 Å²	42.9	13%	0.126	23%	0.228	C	C	.	.	H	α-helix	trans	-57.1	-46	175.4	176.1	70.8	0	0	0	112.4	H58 D191 V193 Q303 I305 M309 Q310 T311	H58-L307 HydrophobicContact CB-CD1 4.07Å; H58-L307 WeakPolarHBondContact CD2-CD2 3.44Å; H58-L307 VanDerWaalsContact CG-CD1 3.48Å; H58-L307 WeakPolarHBondContact NE2-CD2 3.27Å; D191-L307 HydrophobicContact CB-CD1 3.85Å; V193-L307 HydrophobicContact CG2-CB 3.96Å; V193-L307 HydrophobicContact CG2-CD1 4.15Å; Q303-L307 WeakPolarHBondContact O-CB 3.29Å; Q303-L307 PolarHBondContact O-N 3.06Å; I305-L307 VanDerWaalsContact C-N 3.31Å; I305-L307 PolarHBondContact O-N 3.26Å; L307-M309 VanDerWaalsContact C-N 3.29Å; L307-M309 PolarHBondContact O-N 2.87Å; L307-Q310 PolarHBondContact O-N 3.14Å; L307-T311 HydrophobicContact CD1-CG2 4.37Å; L307-T311 WeakPolarHBondContact O-CG2 3Å; L307-T311 PolarHBondContact O-N 3.02Å; L307-T311 PolarHBondContact O-OG1 3.26Å
308	R	88.4	Confident	89.7	Confident	68 Å²	68	35.7 Å²	35.7	26%	0.257	20%	0.198	S	C	.	.	H	α-helix	trans	-64.4	-36.2	177.6	-75.8	178.9	174.5	177.4	-8.3	112.1	K304 I305 I306 T311 S312 S313 A314 D318	K304-R308 WeakPolarHBondContact O-CG 3.43Å; K304-R308 PolarHBondContact O-N 3.42Å; K304-R308 VanDerWaalsContact O-N 3.13Å; I305-R308 PolarHBondContact O-N 3.35Å; I305-R308 VanDerWaalsContact O-N 3.15Å; I306-R308 VanDerWaalsContact C-N 3.34Å; I306-R308 PolarHBondContact O-N 3.35Å; R308-T311 WeakPolarHBondContact CA-OG1 3.42Å; R308-T311 PolarHBondContact O-OG1 2.73Å; R308-S312 PolarHBondContact O-N 2.7Å; R308-S313 WeakPolarHBondContact CA-OG 3.45Å; R308-S313 CarbonylContact O-C 3.57Å; R308-S313 WeakPolarHBondContact O-CA 3.28Å; R308-S313 PolarHBondContact O-N 3.42Å; R308-S313 PolarHBondContact O-OG 3.16Å; R308-A314 HydrophobicContact CB-CB 4.47Å; R308-A314 PolarHBondContact O-N 3.09Å; R308-A314 VanDerWaalsContact O-N 3.15Å; R308-D318 WeakPolarHBondContact CD-OD2 3.44Å; R308-D318 IonicContact NH1-OD1 2.59Å; R308-D318 PolarHBondContact NH1-OD1 3.24Å; R308-D318 VanDerWaalsContact NH1-OD1 3.1Å; R308-D318 IonicContact NH1-OD2 2.69Å; R308-D318 PolarHBondContact NH1-OD2 3.03Å
309	M	91.1	Very high	89.7	Confident	2 Å²	2	31.2 Å²	31.2	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-66.2	-44.6	174.3	-69.5	174.5	174.7	0	0	111.3	I305 I306 L307 T311 S312 A314 W319 I322 Q495 L498 L499	I305-M309 HydrophobicContact CG2-CE 3.55Å; I305-M309 HydrophobicContact CG2-CG 4.48Å; I305-M309 HydrophobicContact CG2-SD 4Å; I305-M309 WeakPolarHBondContact O-CG 3.23Å; I305-M309 PolarHBondContact O-N 2.95Å; I306-M309 WeakPolarHBondContact O-CB 3.48Å; I306-M309 PolarHBondContact O-N 3.43Å; I306-M309 VanDerWaalsContact O-N 3.13Å; L307-M309 VanDerWaalsContact C-N 3.29Å; L307-M309 PolarHBondContact O-N 2.87Å; M309-T311 VanDerWaalsContact C-N 3.31Å; M309-T311 PolarHBondContact O-N 3.12Å; M309-S312 PolarHBondContact O-N 2.87Å; M309-S312 VanDerWaalsContact O-N 3.12Å; M309-A314 HydrophobicContact CG-CB 3.89Å; M309-W319 HydrophobicContact CE-CD2 4.2Å; M309-W319 HydrophobicContact CE-CE3 3.85Å; M309-W319 HydrophobicContact CE-CH2 4.2Å; M309-W319 HydrophobicContact CE-CZ2 4.48Å; M309-W319 HydrophobicContact CE-CZ3 3.86Å; M309-I322 HydrophobicContact CE-CG2 4.14Å; M309-Q495 HydrophobicContact CB-CG 4.46Å; M309-Q495 HydrophobicContact CG-CG 4.37Å; M309-L498 HydrophobicContact CE-CD1 4.29Å; M309-L498 HydrophobicContact SD-CD1 4.03Å; M309-L498 HydrophobicContact SD-CD2 3.8Å; M309-L498 HydrophobicContact SD-CG 4.42Å; M309-L499 HydrophobicContact CB-CD2 4.21Å
310	Q	85.3	Confident	89.7	Confident	22 Å²	22	34.8 Å²	34.8	10%	0.103	19%	0.193	C	C	.	.	H	α-helix	trans	-59.6	-40.4	175.9	-72.5	176.6	-96.4	0	0	113.2	S137 I306 L307 S312 L499	S137-Q310 PolarHBondContact OG-NE2 3.22Å; S137-Q310 PolarHBondContact OG-OE1 3.42Å; I306-Q310 HydrophobicContact CG2-CG 4.49Å; I306-Q310 WeakPolarHBondContact O-CG 3.28Å; I306-Q310 PolarHBondContact O-N 3.01Å; L307-Q310 PolarHBondContact O-N 3.14Å; Q310-S312 PolarHBondContact O-N 2.87Å; Q310-L499 HydrophobicContact CG-CD1 4.04Å; Q310-L499 HydrophobicContact CG-CD2 3.52Å; Q310-L499 HydrophobicContact CG-CG 4.43Å
311	T	82.4	Confident	89.8	Confident	56 Å²	56	36.6 Å²	36.6	34%	0.344	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	10.7	-179.6	55.1	0	0	0	0	112.8	D191 L307 R308 M309 S313	D191-T311 WeakPolarHBondContact OD2-CG2 3.28Å; L307-T311 HydrophobicContact CD1-CG2 4.37Å; L307-T311 WeakPolarHBondContact O-CG2 3Å; L307-T311 PolarHBondContact O-N 3.02Å; L307-T311 PolarHBondContact O-OG1 3.26Å; R308-T311 WeakPolarHBondContact CA-OG1 3.42Å; R308-T311 PolarHBondContact O-OG1 2.73Å; M309-T311 VanDerWaalsContact C-N 3.31Å; M309-T311 PolarHBondContact O-N 3.12Å; T311-S313 PolarHBondContact O-N 3.36Å; T311-S313 VanDerWaalsContact O-N 3.12Å; T311-S313 PolarHBondContact OG1-OG 2.63Å
312	S	84.3	Confident	90.1	Very high	82 Å²	82	35 Å²	35	57%	0.573	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	31.2	-177.2	-61.8	0	0	0	0	113.9	R308 M309 Q310	R308-S312 PolarHBondContact O-N 2.7Å; M309-S312 PolarHBondContact O-N 2.87Å; M309-S312 VanDerWaalsContact O-N 3.12Å; Q310-S312 PolarHBondContact O-N 2.87Å
313	S	85.9	Confident	90.3	Very high	58 Å²	58	35.5 Å²	35.5	41%	0.406	19%	0.192	S	C	.	.			trans	-116.9	14.4	-175.8	69.4	0	0	0	0	113.5	R308 T311 I315	R308-S313 WeakPolarHBondContact CA-OG 3.45Å; R308-S313 CarbonylContact O-C 3.57Å; R308-S313 WeakPolarHBondContact O-CA 3.28Å; R308-S313 PolarHBondContact O-N 3.42Å; R308-S313 PolarHBondContact O-OG 3.16Å; T311-S313 PolarHBondContact O-N 3.36Å; T311-S313 VanDerWaalsContact O-N 3.12Å; T311-S313 PolarHBondContact OG1-OG 2.63Å; S313-I315 PolarHBondContact O-N 3.47Å
314	A	88.9	Confident	90.8	Very high	19 Å²	19	38.3 Å²	38.3	16%	0.157	21%	0.205	C	C	.	.			trans	-60.6	133.5	178.1	0	0	0	0	0	111.6	R308 M309	R308-A314 HydrophobicContact CB-CB 4.47Å; R308-A314 PolarHBondContact O-N 3.09Å; R308-A314 VanDerWaalsContact O-N 3.15Å; M309-A314 HydrophobicContact CG-CB 3.89Å
315	I	90.8	Very high	91.3	Very high	72 Å²	72	34.6 Å²	34.6	37%	0.369	19%	0.188	S	C	.	.			trans	-96.5	158	177.6	57.3	169	0	0	0	110.9	S313 S317 D318	S313-I315 PolarHBondContact O-N 3.47Å; I315-S317 WeakPolarHBondContact CD1-OG 3.26Å; I315-S317 WeakPolarHBondContact CG1-OG 3.29Å; I315-S317 PolarHBondContact O-N 2.9Å; I315-S317 VanDerWaalsContact O-N 3.08Å; I315-D318 HydrophobicContact CG1-CB 4.37Å; I315-D318 VanDerWaalsContact CG1-CG 3.4Å; I315-D318 WeakPolarHBondContact CG1-OD1 3.45Å; I315-D318 VanDerWaalsContact CG1-OD2 3.25Å; I315-D318 WeakPolarHBondContact CG1-OD2 3.38Å; I315-D318 PolarHBondContact N-OD2 2.87Å; I315-D318 VanDerWaalsContact O-CB 3.28Å; I315-D318 WeakPolarHBondContact O-CB 3.31Å; I315-D318 PolarHBondContact O-N 3.2Å
316	P	90.9	Very high	91.6	Very high	28 Å²	28	34.3 Å²	34.3	18%	0.182	19%	0.187	C	C	.	.	H	α-helix	trans	-50	-39.2	-178.6	-30.3	35.5	0	0	0	114.4	D318 W319 T375 Q379	P316-D318 VanDerWaalsContact C-N 3.28Å; P316-D318 PolarHBondContact O-N 2.91Å; P316-W319 PolarHBondContact O-N 3.14Å; P316-T375 HydrophobicContact CB-CG2 3.72Å; P316-Q379 VanDerWaalsContact CG-C 3.44Å; P316-Q379 WeakPolarHBondContact CG-O 3.34Å
317	S	92.8	Very high	91.8	Very high	44 Å²	44	36.8 Å²	36.8	31%	0.308	20%	0.2	S	C	.	.	H	α-helix	trans	-66.7	-26.7	178.5	59.4	0	0	0	0	113.9	I315 W319 R320 I321	I315-S317 WeakPolarHBondContact CD1-OG 3.26Å; I315-S317 WeakPolarHBondContact CG1-OG 3.29Å; I315-S317 PolarHBondContact O-N 2.9Å; I315-S317 VanDerWaalsContact O-N 3.08Å; S317-W319 VanDerWaalsContact C-N 3.26Å; S317-W319 PolarHBondContact O-N 3.29Å; S317-R320 PolarHBondContact O-N 2.93Å; S317-I321 WeakPolarHBondContact O-CD1 3.44Å; S317-I321 VanDerWaalsContact O-CG1 3.24Å; S317-I321 WeakPolarHBondContact O-CG1 3.41Å; S317-I321 PolarHBondContact O-N 2.76Å
318	D	94.2	Very high	92.3	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.027	19%	0.194	C	C	.	.	H	α-helix	trans	-62.9	-36.5	-179	-67.1	-20.3	0	0	0	110.6	I305 R308 I315 P316 I321 I322	I305-D318 HydrophobicContact CG1-CB 4.22Å; I305-D318 HydrophobicContact CG2-CB 4.02Å; R308-D318 WeakPolarHBondContact CD-OD2 3.44Å; R308-D318 IonicContact NH1-OD1 2.59Å; R308-D318 PolarHBondContact NH1-OD1 3.24Å; R308-D318 VanDerWaalsContact NH1-OD1 3.1Å; R308-D318 IonicContact NH1-OD2 2.69Å; R308-D318 PolarHBondContact NH1-OD2 3.03Å; I315-D318 HydrophobicContact CG1-CB 4.37Å; I315-D318 VanDerWaalsContact CG1-CG 3.4Å; I315-D318 WeakPolarHBondContact CG1-OD1 3.45Å; I315-D318 VanDerWaalsContact CG1-OD2 3.25Å; I315-D318 WeakPolarHBondContact CG1-OD2 3.38Å; I315-D318 PolarHBondContact N-OD2 2.87Å; I315-D318 VanDerWaalsContact O-CB 3.28Å; I315-D318 WeakPolarHBondContact O-CB 3.31Å; I315-D318 PolarHBondContact O-N 3.2Å; P316-D318 VanDerWaalsContact C-N 3.28Å; P316-D318 PolarHBondContact O-N 2.91Å; D318-I321 PolarHBondContact O-N 2.68Å; D318-I322 WeakPolarHBondContact O-CG2 3.3Å; D318-I322 PolarHBondContact O-N 3.46Å
319	W	95.1	Very high	92.7	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.008	18%	0.182	C	C	.	.	H	α-helix	trans	-63.4	-42.2	176.7	-66.3	108	0	0	0	113.1	M309 P316 S317 I322 I323 L366 I370 F381 M491 L494 Q495	M309-W319 HydrophobicContact CE-CD2 4.2Å; M309-W319 HydrophobicContact CE-CE3 3.85Å; M309-W319 HydrophobicContact CE-CH2 4.2Å; M309-W319 HydrophobicContact CE-CZ2 4.48Å; M309-W319 HydrophobicContact CE-CZ3 3.86Å; P316-W319 PolarHBondContact O-N 3.14Å; S317-W319 VanDerWaalsContact C-N 3.26Å; S317-W319 PolarHBondContact O-N 3.29Å; W319-I322 VanDerWaalsContact O-CG2 3.26Å; W319-I322 WeakPolarHBondContact O-CG2 3.35Å; W319-I323 WeakPolarHBondContact O-CD1 3.37Å; W319-I323 VanDerWaalsContact O-CG1 3.29Å; W319-I323 WeakPolarHBondContact O-CG1 3.49Å; W319-I323 PolarHBondContact O-N 2.82Å; W319-L366 HydrophobicContact CE3-CD2 4.09Å; W319-L366 HydrophobicContact CZ3-CD2 3.85Å; W319-I370 HydrophobicContact CB-CD1 4.15Å; W319-I370 HydrophobicContact CD2-CD1 3.86Å; W319-I370 HydrophobicContact CE3-CD1 3.34Å; W319-I370 HydrophobicContact CG-CD1 4.23Å; W319-I370 HydrophobicContact CZ3-CD1 3.95Å; W319-F381 AromaticContact CD1-CD2 3.72Å; W319-F381 HydrophobicContact CD2-CD2 4.11Å; W319-F381 AromaticContact CD2-CE2 3.9Å; W319-F381 HydrophobicContact CD2-CE2 3.9Å; W319-F381 AromaticContact CE2-CD2 3.71Å; W319-F381 AromaticContact CE2-CE2 3.71Å; W319-F381 HydrophobicContact CE3-CE2 4.38Å; W319-F381 HydrophobicContact CG-CD2 4.09Å; W319-F381 HydrophobicContact CG-CE2 4.23Å; W319-F381 HydrophobicContact CH2-CE2 4.43Å; W319-F381 HydrophobicContact CZ2-CD2 4.26Å; W319-F381 HydrophobicContact CZ2-CE2 4Å; W319-F381 AromaticContact NE1-CD2 3.46Å; W319-F381 AromaticContact NE1-CE2 3.97Å; W319-M491 HydrophobicContact CH2-CG 4.47Å; W319-M491 HydrophobicContact CZ2-CG 3.56Å; W319-M491 HydrophobicContact CZ2-SD 4.44Å; W319-L494 HydrophobicContact CH2-CB 4.28Å; W319-L494 HydrophobicContact CH2-CD2 4.12Å; W319-L494 HydrophobicContact CH2-CG 4.28Å; W319-L494 HydrophobicContact CZ3-CD2 3.88Å; W319-L494 HydrophobicContact CZ3-CG 4.2Å; W319-Q495 HydrophobicContact CH2-CB 4.41Å; W319-Q495 HydrophobicContact CH2-CG 3.4Å; W319-Q495 HydrophobicContact CZ2-CG 3.47Å; W319-Q495 VanDerWaalsContact CZ2-CG 3.47Å
320	R	95	Very high	93	Very high	89 Å²	89	35.2 Å²	35.2	34%	0.336	20%	0.195	S	C	.	.	H	α-helix	trans	-65.8	-46.1	174.3	-172.6	-172.8	68.6	168.3	-2.6	110.5	S317 I323 H324 E376	S317-R320 PolarHBondContact O-N 2.93Å; R320-I323 PolarHBondContact O-N 2.9Å; R320-H324 PolarHBondContact O-N 3.24Å; R320-H324 VanDerWaalsContact O-N 3.07Å; R320-H324 PolarHBondContact O-ND1 3.3Å; R320-E376 WeakPolarHBondContact CD-OE2 3.41Å; R320-E376 IonicContact CZ-OE1 3.84Å; R320-E376 VanDerWaalsContact CZ-OE1 3.28Å; R320-E376 IonicContact CZ-OE2 2.63Å; R320-E376 IonicContact NE-OE2 2.79Å; R320-E376 IonicContact NH1-OE1 3.85Å; R320-E376 PolarHBondContact NH1-OE1 2.78Å; R320-E376 IonicContact NH1-OE2 3.68Å; R320-E376 PolarHBondContact NH1-OE2 3.38Å; R320-E376 IonicContact NH2-OE1 3.54Å
321	I	95.5	Very high	93.5	Very high	55 Å²	55	35.5 Å²	35.5	28%	0.282	20%	0.201	S	C	.	.	H	α-helix	trans	-63.5	-43.9	-177.5	-63.8	163.1	0	0	0	110.6	I305 S317 D318 I323 H324 T325	I305-I321 HydrophobicContact CD1-CB 3.85Å; I305-I321 HydrophobicContact CD1-CG2 3.49Å; I305-I321 VanDerWaalsContact CD1-CG2 3.49Å; S317-I321 WeakPolarHBondContact O-CD1 3.44Å; S317-I321 VanDerWaalsContact O-CG1 3.24Å; S317-I321 WeakPolarHBondContact O-CG1 3.41Å; S317-I321 PolarHBondContact O-N 2.76Å; D318-I321 PolarHBondContact O-N 2.68Å; I321-I323 PolarHBondContact O-N 2.9Å; I321-H324 PolarHBondContact O-N 3.47Å; I321-T325 VanDerWaalsContact O-CB 3.26Å; I321-T325 WeakPolarHBondContact O-CB 3.47Å; I321-T325 PolarHBondContact O-N 3.01Å; I321-T325 PolarHBondContact O-OG1 3.42Å
322	I	96.3	Very high	94.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64	-40.9	179.3	-165	63.6	0	0	0	111.5	T302 I305 M309 D318 W319 H324 T325 L326 L366 L498	T302-I322 HydrophobicContact CG2-CD1 3.47Å; T302-I322 VanDerWaalsContact CG2-CD1 3.47Å; I305-I322 HydrophobicContact CG2-CB 4.2Å; I305-I322 HydrophobicContact CG2-CD1 4.4Å; M309-I322 HydrophobicContact CE-CG2 4.14Å; D318-I322 WeakPolarHBondContact O-CG2 3.3Å; D318-I322 PolarHBondContact O-N 3.46Å; W319-I322 VanDerWaalsContact O-CG2 3.26Å; W319-I322 WeakPolarHBondContact O-CG2 3.35Å; I322-H324 PolarHBondContact O-N 2.84Å; I322-T325 PolarHBondContact O-N 2.79Å; I322-L326 HydrophobicContact CG1-CD1 4.17Å; I322-L326 HydrophobicContact CG1-CG 4.38Å; I322-L326 WeakPolarHBondContact O-CB 3.24Å; I322-L326 VanDerWaalsContact O-CG 3.22Å; I322-L326 WeakPolarHBondContact O-CG 3.4Å; I322-L326 PolarHBondContact O-N 2.92Å; I322-L366 HydrophobicContact CG2-CD1 4.34Å; I322-L498 HydrophobicContact CG1-CD1 4.28Å
323	I	96.9	Very high	94.7	Very high	12 Å²	12	29.4 Å²	29.4	6%	0.062	16%	0.16	C	C	.	.	H	α-helix	trans	-60.7	-48.1	176.3	-71	167.8	0	0	0	110.9	W319 R320 I321 T325 L326 D327 L366 I367 I370 T372	W319-I323 WeakPolarHBondContact O-CD1 3.37Å; W319-I323 VanDerWaalsContact O-CG1 3.29Å; W319-I323 WeakPolarHBondContact O-CG1 3.49Å; W319-I323 PolarHBondContact O-N 2.82Å; R320-I323 PolarHBondContact O-N 2.9Å; I321-I323 PolarHBondContact O-N 2.9Å; I323-T325 VanDerWaalsContact C-N 3.28Å; I323-T325 PolarHBondContact O-N 2.85Å; I323-L326 PolarHBondContact O-N 3.32Å; I323-D327 PolarHBondContact O-N 3.41Å; I323-L366 HydrophobicContact CD1-CB 4.06Å; I323-L366 HydrophobicContact CG1-CB 3.79Å; I323-L366 HydrophobicContact CG1-CD1 4.11Å; I323-I367 HydrophobicContact CD1-CG1 4.41Å; I323-I367 HydrophobicContact CG2-CD1 3.96Å; I323-I367 HydrophobicContact CG2-CG1 3.66Å; I323-I370 HydrophobicContact CD1-CD1 4.27Å; I323-T372 HydrophobicContact CD1-CG2 3.61Å
324	H	96.3	Very high	95.2	Very high	82 Å²	82	31 Å²	31	38%	0.38	17%	0.168	S	C	.	.	H	α-helix	trans	-64.6	-35.2	178.1	-74.1	73.3	0	0	0	112.1	R320 I321 I322 D327 A328	R320-H324 PolarHBondContact O-N 3.24Å; R320-H324 VanDerWaalsContact O-N 3.07Å; R320-H324 PolarHBondContact O-ND1 3.3Å; I321-H324 PolarHBondContact O-N 3.47Å; I322-H324 PolarHBondContact O-N 2.84Å; H324-D327 PolarHBondContact O-N 3.46Å; H324-A328 WeakPolarHBondContact O-CB 3.47Å; H324-A328 PolarHBondContact O-N 3.03Å
325	T	97.3	Very high	95.5	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-67.3	-44.9	177.9	-59.5	0	0	0	0	110.8	V299 G300 T302 I321 I322 I323 A328 M329	V299-T325 HydrophobicContact CG1-CG2 4.11Å; G300-T325 PolarHBondContact N-OG1 2.79Å; T302-T325 HydrophobicContact CG2-CG2 4.01Å; I321-T325 VanDerWaalsContact O-CB 3.26Å; I321-T325 WeakPolarHBondContact O-CB 3.47Å; I321-T325 PolarHBondContact O-N 3.01Å; I321-T325 PolarHBondContact O-OG1 3.42Å; I322-T325 PolarHBondContact O-N 2.79Å; I323-T325 VanDerWaalsContact C-N 3.28Å; I323-T325 PolarHBondContact O-N 2.85Å; T325-A328 PolarHBondContact O-N 3.32Å; T325-M329 HydrophobicContact CG2-CE 3.5Å; T325-M329 VanDerWaalsContact CG2-CE 3.5Å; T325-M329 HydrophobicContact CG2-CG 4.47Å; T325-M329 HydrophobicContact CG2-SD 3.99Å; T325-M329 WeakPolarHBondContact O-CB 3.22Å; T325-M329 VanDerWaalsContact O-CG 3.25Å; T325-M329 WeakPolarHBondContact O-CG 3.39Å; T325-M329 PolarHBondContact O-N 3.49Å
326	L	97.6	Very high	95.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.3	-40.4	176.2	-66.7	167.2	0	0	0	111.5	I322 I323 A328 M329 E330 I359 V362 K363 L366 I505	I322-L326 HydrophobicContact CG1-CD1 4.17Å; I322-L326 HydrophobicContact CG1-CG 4.38Å; I322-L326 WeakPolarHBondContact O-CB 3.24Å; I322-L326 VanDerWaalsContact O-CG 3.22Å; I322-L326 WeakPolarHBondContact O-CG 3.4Å; I322-L326 PolarHBondContact O-N 2.92Å; I323-L326 PolarHBondContact O-N 3.32Å; L326-A328 VanDerWaalsContact C-N 3.34Å; L326-M329 HydrophobicContact CD2-SD 4.49Å; L326-M329 PolarHBondContact O-N 3.15Å; L326-E330 WeakPolarHBondContact O-CB 3.35Å; L326-E330 PolarHBondContact O-N 2.91Å; L326-I359 HydrophobicContact CB-CG2 4.15Å; L326-I359 HydrophobicContact CD2-CD1 4.12Å; L326-I359 HydrophobicContact CD2-CG2 3.97Å; L326-I359 WeakPolarHBondContact O-CG2 3.18Å; L326-V362 HydrophobicContact CD1-CB 4.45Å; L326-V362 HydrophobicContact CD1-CG1 3.64Å; L326-V362 HydrophobicContact CD2-CG1 4.5Å; L326-K363 HydrophobicContact CB-CB 4.1Å; L326-K363 HydrophobicContact CB-CG 4.4Å; L326-L366 HydrophobicContact CD1-CD1 3.51Å; L326-I505 HydrophobicContact CD2-CD1 4.43Å; L326-I505 HydrophobicContact CD2-CG1 4.05Å; L326-I505 HydrophobicContact CD2-CG2 4.35Å
327	D	97.1	Very high	95.8	Very high	52 Å²	52	33 Å²	33	28%	0.278	17%	0.168	S	C	.	.	H	α-helix	trans	-59.7	-45	173	-170.2	66.3	0	0	0	112	R298 I323 H324 E330 A331 K363	R298-D327 IonicContact CZ-OD2 3.1Å; R298-D327 IonicContact NH1-OD2 3.65Å; R298-D327 PolarHBondContact NH1-OD2 3.13Å; R298-D327 IonicContact NH2-OD2 2.79Å; I323-D327 PolarHBondContact O-N 3.41Å; H324-D327 PolarHBondContact O-N 3.46Å; D327-E330 PolarHBondContact O-N 3.27Å; D327-A331 WeakPolarHBondContact O-CB 3.42Å; D327-A331 PolarHBondContact O-N 3.34Å; D327-K363 HydrophobicContact CB-CD 3.77Å; D327-K363 IonicContact OD1-NZ 3.39Å; D327-K363 PolarHBondContact OD1-NZ 3.16Å
328	A	97.3	Very high	95.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.1	-43.1	178	0	0	0	0	0	112.1	V295 R298 V299 H324 T325 L326 A331 L332	V295-A328 HydrophobicContact CG1-CB 3.72Å; V295-A328 VanDerWaalsContact CG1-O 3.3Å; V295-A328 WeakPolarHBondContact CG1-O 3.34Å; R298-A328 HydrophobicContact CB-CB 3.95Å; V299-A328 HydrophobicContact CG2-CB 3.69Å; H324-A328 WeakPolarHBondContact O-CB 3.47Å; H324-A328 PolarHBondContact O-N 3.03Å; T325-A328 PolarHBondContact O-N 3.32Å; L326-A328 VanDerWaalsContact C-N 3.34Å; A328-A331 PolarHBondContact O-N 3.16Å; A328-L332 WeakPolarHBondContact O-CB 3.31Å; A328-L332 VanDerWaalsContact O-CG 3.24Å; A328-L332 WeakPolarHBondContact O-CG 2.98Å; A328-L332 PolarHBondContact O-N 2.87Å
329	M	96.7	Very high	95.8	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-61.3	-46.1	176.1	-73.9	168.2	173.7	0	0	111.8	T302 T325 L326 A331 L332 I333 I359 A508 S509	T302-M329 HydrophobicContact CG2-CE 3.97Å; T325-M329 HydrophobicContact CG2-CE 3.5Å; T325-M329 VanDerWaalsContact CG2-CE 3.5Å; T325-M329 HydrophobicContact CG2-CG 4.47Å; T325-M329 HydrophobicContact CG2-SD 3.99Å; T325-M329 WeakPolarHBondContact O-CB 3.22Å; T325-M329 VanDerWaalsContact O-CG 3.25Å; T325-M329 WeakPolarHBondContact O-CG 3.39Å; T325-M329 PolarHBondContact O-N 3.49Å; L326-M329 HydrophobicContact CD2-SD 4.49Å; L326-M329 PolarHBondContact O-N 3.15Å; M329-A331 VanDerWaalsContact C-N 3.34Å; M329-A331 PolarHBondContact O-N 3.43Å; M329-L332 PolarHBondContact O-N 3.18Å; M329-I333 WeakPolarHBondContact O-CD1 3.41Å; M329-I333 VanDerWaalsContact O-CG1 3.27Å; M329-I333 WeakPolarHBondContact O-CG1 3.37Å; M329-I333 PolarHBondContact O-N 3.38Å; M329-I359 HydrophobicContact CB-CG2 4.36Å; M329-A508 HydrophobicContact CB-CB 4.27Å; M329-A508 HydrophobicContact CG-CB 4.25Å; M329-A508 HydrophobicContact SD-CB 3.85Å; M329-S509 WeakPolarHBondContact CE-OG 3.4Å
330	E	96.4	Very high	95.6	Very high	61 Å²	61	40.8 Å²	40.8	29%	0.285	21%	0.211	S	C	.	.	H	α-helix	trans	-60.5	-43.7	177.1	-174.6	179.5	-176.5	0	0	111.7	L326 D327 I333 T334 I359 K363	L326-E330 WeakPolarHBondContact O-CB 3.35Å; L326-E330 PolarHBondContact O-N 2.91Å; D327-E330 PolarHBondContact O-N 3.27Å; E330-I333 PolarHBondContact O-N 3.2Å; E330-T334 WeakPolarHBondContact O-CB 3.46Å; E330-T334 PolarHBondContact O-N 3.31Å; E330-T334 PolarHBondContact O-OG1 3.13Å; E330-I359 HydrophobicContact CB-CG2 4.19Å; E330-K363 WeakPolarHBondContact OE2-CE 3.38Å; E330-K363 IonicContact OE2-NZ 2.78Å; E330-K363 PolarHBondContact OE2-NZ 3.5Å
331	A	96.9	Very high	95.3	Very high	28 Å²	28	44.4 Å²	44.4	23%	0.231	23%	0.232	C	C	.	.	H	α-helix	trans	-62.4	-45.9	174.8	0	0	0	0	0	111.7	V295 D327 A328 M329 I333 T334 M335	V295-A331 HydrophobicContact CG1-CB 4.08Å; D327-A331 WeakPolarHBondContact O-CB 3.42Å; D327-A331 PolarHBondContact O-N 3.34Å; A328-A331 PolarHBondContact O-N 3.16Å; M329-A331 VanDerWaalsContact C-N 3.34Å; M329-A331 PolarHBondContact O-N 3.43Å; A331-I333 PolarHBondContact O-N 2.94Å; A331-T334 PolarHBondContact O-N 2.87Å; A331-M335 WeakPolarHBondContact O-CB 3.11Å; A331-M335 VanDerWaalsContact O-CG 3.26Å; A331-M335 WeakPolarHBondContact O-CG 3.21Å; A331-M335 PolarHBondContact O-N 3.39Å
332	L	96.3	Very high	95.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59	-47.6	177.5	-74.2	165.9	0	0	0	111.7	I292 V295 L296 V299 A328 M329 T334 M335 C336 F511 A512	I292-L332 HydrophobicContact CB-CD2 4.26Å; I292-L332 HydrophobicContact CG1-CD2 4.08Å; I292-L332 HydrophobicContact CG2-CD2 3.89Å; V295-L332 HydrophobicContact CB-CD2 4.28Å; V295-L332 HydrophobicContact CB-CG 4.42Å; V295-L332 HydrophobicContact CG1-CD1 4.32Å; V295-L332 HydrophobicContact CG1-CD2 4.17Å; V295-L332 HydrophobicContact CG1-CG 3.77Å; L296-L332 HydrophobicContact CD2-CD1 3.76Å; L296-L332 HydrophobicContact CD2-CD2 4.39Å; L296-L332 HydrophobicContact CG-CD1 4.4Å; L296-L332 HydrophobicContact CG-CD2 4.28Å; V299-L332 HydrophobicContact CG2-CD1 4.14Å; A328-L332 WeakPolarHBondContact O-CB 3.31Å; A328-L332 VanDerWaalsContact O-CG 3.24Å; A328-L332 WeakPolarHBondContact O-CG 2.98Å; A328-L332 PolarHBondContact O-N 2.87Å; M329-L332 PolarHBondContact O-N 3.18Å; L332-T334 VanDerWaalsContact C-N 3.28Å; L332-T334 PolarHBondContact O-N 3.45Å; L332-M335 HydrophobicContact CD2-CE 3.81Å; L332-M335 HydrophobicContact CG-CE 4.29Å; L332-M335 PolarHBondContact O-N 2.83Å; L332-C336 WeakPolarHBondContact O-CB 3.47Å; L332-C336 PolarHBondContact O-N 2.97Å; L332-C336 PolarHBondContact O-SG 3.12Å; L332-F511 HydrophobicContact CB-CE1 4.13Å; L332-A512 HydrophobicContact CD1-CB 3.86Å
333	I	95.2	Very high	94.9	Very high	9 Å²	9	47.4 Å²	47.4	5%	0.046	24%	0.243	C	C	.	.	H	α-helix	trans	-58.8	-45	177.4	-67.5	158.9	0	0	0	109.8	M329 E330 A331 K337 L349 F354 P356 A508 F511	M329-I333 WeakPolarHBondContact O-CD1 3.41Å; M329-I333 VanDerWaalsContact O-CG1 3.27Å; M329-I333 WeakPolarHBondContact O-CG1 3.37Å; M329-I333 PolarHBondContact O-N 3.38Å; E330-I333 PolarHBondContact O-N 3.2Å; A331-I333 PolarHBondContact O-N 2.94Å; I333-K337 WeakPolarHBondContact O-CB 3.24Å; I333-K337 PolarHBondContact O-N 2.97Å; I333-L349 HydrophobicContact CD1-CD2 4.28Å; I333-L349 HydrophobicContact CG1-CD2 3.95Å; I333-F354 HydrophobicContact CD1-CE1 3.72Å; I333-F354 HydrophobicContact CD1-CZ 3.91Å; I333-P356 HydrophobicContact CG2-CB 4.23Å; I333-P356 HydrophobicContact CG2-CG 4.3Å; I333-A508 HydrophobicContact CD1-CB 4.38Å; I333-F511 HydrophobicContact CG1-CD1 3.99Å; I333-F511 HydrophobicContact CG1-CE1 3.89Å
334	T	95.4	Very high	94.6	Very high	93 Å²	93	47.4 Å²	47.4	57%	0.571	24%	0.242	S	C	*	.	H	α-helix	trans	-65	-44	-179.6	-57.1	0	0	0	0	112.4	E330 A331 L332 P338	E330-T334 WeakPolarHBondContact O-CB 3.46Å; E330-T334 PolarHBondContact O-N 3.31Å; E330-T334 PolarHBondContact O-OG1 3.13Å; A331-T334 PolarHBondContact O-N 2.87Å; L332-T334 VanDerWaalsContact C-N 3.28Å; L332-T334 PolarHBondContact O-N 3.45Å; T334-P338 WeakPolarHBondContact O-CD 3.38Å
335	M	95.2	Very high	94.4	Very high	40 Å²	40	43.7 Å²	43.7	20%	0.197	23%	0.225	C	C	.	.	H	α-helix	trans	-67.2	-38.9	179.6	-71.3	-176	-58	0	0	112.5	L288 E291 I292 V295 A331 L332 P338	L288-M335 HydrophobicContact CD1-CB 3.9Å; E291-M335 HydrophobicContact CB-SD 4.22Å; I292-M335 HydrophobicContact CG1-CE 4.15Å; V295-M335 HydrophobicContact CB-CE 3.95Å; V295-M335 HydrophobicContact CG1-CE 4.27Å; V295-M335 HydrophobicContact CG2-CE 3.59Å; V295-M335 HydrophobicContact CG2-SD 4.26Å; A331-M335 WeakPolarHBondContact O-CB 3.11Å; A331-M335 VanDerWaalsContact O-CG 3.26Å; A331-M335 WeakPolarHBondContact O-CG 3.21Å; A331-M335 PolarHBondContact O-N 3.39Å; L332-M335 HydrophobicContact CD2-CE 3.81Å; L332-M335 HydrophobicContact CG-CE 4.29Å; L332-M335 PolarHBondContact O-N 2.83Å; M335-P338 WeakPolarHBondContact O-CD 3.48Å
336	C	94.6	Very high	94.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-85.1	-24.2	-176.4	-64.9	0	0	0	0	113.3	L332 P338 Y339 L343 V346 F511	L332-C336 WeakPolarHBondContact O-CB 3.47Å; L332-C336 PolarHBondContact O-N 2.97Å; L332-C336 PolarHBondContact O-SG 3.12Å; C336-P338 VanDerWaalsContact C-CD 3.42Å; C336-Y339 PolarHBondContact O-N 3.26Å; C336-L343 HydrophobicContact CB-CD1 4.12Å; C336-V346 HydrophobicContact CB-CG2 3.68Å; C336-F511 HydrophobicContact CB-CZ 3.82Å
337	K	93.7	Very high	93.8	Very high	120 Å²	120	46.7 Å²	46.7	52%	0.522	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-50.7	-43.2	-177.3	-178.1	177.8	-176.5	-179.1	0	114.7	I333 Y339 C340 F350	I333-K337 WeakPolarHBondContact O-CB 3.24Å; I333-K337 PolarHBondContact O-N 2.97Å; K337-Y339 PolarHBondContact O-N 3.33Å; K337-Y339 VanDerWaalsContact O-N 3.12Å; K337-C340 PolarHBondContact O-N 2.8Å; K337-F350 HydrophobicContact CD-CZ 4.23Å; K337-F350 HydrophobicContact CG-CE2 4.26Å; K337-F350 HydrophobicContact CG-CZ 4.25Å
338	P	93.9	Very high	93.4	Very high	99 Å²	99	47.9 Å²	47.9	64%	0.643	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-62.5	-16.6	178.2	-23.1	35.2	0	0	0	114.4	T334 M335 C336	T334-P338 WeakPolarHBondContact O-CD 3.38Å; M335-P338 WeakPolarHBondContact O-CD 3.48Å; C336-P338 VanDerWaalsContact C-CD 3.42Å
339	Y	93.1	Very high	93	Very high	64 Å²	64	48.5 Å²	48.5	25%	0.251	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-108.8	25	-176	-53.8	-77.9	0	0	0	112	F279 L288 C336 K337 E341 K342 L343	F279-Y339 HydrophobicContact CE1-CD1 4.36Å; F279-Y339 HydrophobicContact CE1-CG 4.25Å; F279-Y339 AromaticContact CE2-CD1 3.56Å; F279-Y339 HydrophobicContact CE2-CD1 3.56Å; F279-Y339 AromaticContact CE2-CE1 3.91Å; F279-Y339 HydrophobicContact CE2-CE1 3.91Å; F279-Y339 HydrophobicContact CE2-CG 4.24Å; F279-Y339 AromaticContact CZ-CD1 3.3Å; F279-Y339 HydrophobicContact CZ-CD1 3.3Å; F279-Y339 HydrophobicContact CZ-CD2 4.2Å; F279-Y339 AromaticContact CZ-CE1 3.68Å; F279-Y339 HydrophobicContact CZ-CE1 3.68Å; F279-Y339 AromaticContact CZ-CG 3.57Å; F279-Y339 HydrophobicContact CZ-CG 3.57Å; L288-Y339 HydrophobicContact CD2-CD2 3.56Å; L288-Y339 HydrophobicContact CD2-CE2 3.6Å; L288-Y339 HydrophobicContact CD2-CG 4.33Å; C336-Y339 PolarHBondContact O-N 3.26Å; K337-Y339 PolarHBondContact O-N 3.33Å; K337-Y339 VanDerWaalsContact O-N 3.12Å; Y339-E341 PolarHBondContact O-N 2.93Å; Y339-E341 VanDerWaalsContact O-N 3.13Å; Y339-K342 PolarHBondContact O-N 3.07Å; Y339-L343 PolarHBondContact O-N 3.12Å
340	C	91.3	Very high	92.5	Very high	51 Å²	51	51.8 Å²	51.8	35%	0.345	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-32.3	-177.5	65.5	0	0	0	0	113.4	K337 K342 V346 Q347	K337-C340 PolarHBondContact O-N 2.8Å; C340-K342 VanDerWaalsContact C-N 3.28Å; C340-K342 PolarHBondContact O-N 3.49Å; C340-V346 HydrophobicContact CB-CB 4.21Å; C340-V346 HydrophobicContact CB-CG1 3.64Å; C340-Q347 VanDerWaalsContact O-CD 3.28Å; C340-Q347 WeakPolarHBondContact O-CG 3.04Å; C340-Q347 PolarHBondContact O-NE2 2.93Å
341	E	89.3	Confident	92.1	Very high	166 Å²	166	55.4 Å²	55.4	78%	0.776	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-23.9	177.2	-64.6	-174	171.3	0	0	113.4	Y339	Y339-E341 PolarHBondContact O-N 2.93Å; Y339-E341 VanDerWaalsContact O-N 3.13Å
342	K	90.3	Very high	91.5	Very high	118 Å²	118	56.7 Å²	56.7	51%	0.513	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-28.2	-177.7	-60.6	-59.1	-176	-179	0	113.1	F279 Y339 C340	F279-K342 HydrophobicContact CB-CB 4.26Å; F279-K342 HydrophobicContact CD2-CB 4.09Å; F279-K342 HydrophobicContact CD2-CG 4.14Å; F279-K342 HydrophobicContact CG-CB 4.03Å; Y339-K342 PolarHBondContact O-N 3.07Å; C340-K342 VanDerWaalsContact C-N 3.28Å; C340-K342 PolarHBondContact O-N 3.49Å
343	L	92.4	Very high	90.9	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.332	C	S	.	.			trans	-109.1	96.3	-177.5	-62.1	-178.1	0	0	0	109.5	A276 F279 F280 C336 Y339 P345 V346 I515	A276-L343 HydrophobicContact CB-CD2 4.1Å; F279-L343 HydrophobicContact CD1-CD2 3.75Å; F279-L343 HydrophobicContact CD1-CG 4.21Å; F279-L343 HydrophobicContact CE1-CD1 4.17Å; F279-L343 HydrophobicContact CE1-CD2 4.16Å; F279-L343 HydrophobicContact CE1-CG 4.21Å; F280-L343 HydrophobicContact CD2-CD2 4.39Å; F280-L343 HydrophobicContact CE1-CD1 4.46Å; F280-L343 HydrophobicContact CE1-CD2 4.35Å; F280-L343 HydrophobicContact CE2-CD2 3.61Å; F280-L343 HydrophobicContact CZ-CD1 3.99Å; F280-L343 HydrophobicContact CZ-CD2 3.59Å; F280-L343 HydrophobicContact CZ-CG 4.46Å; C336-L343 HydrophobicContact CB-CD1 4.12Å; Y339-L343 PolarHBondContact O-N 3.12Å; L343-P345 VanDerWaalsContact C-N 3.3Å; L343-V346 HydrophobicContact CB-CB 4.5Å; L343-V346 HydrophobicContact CB-CG2 3.73Å; L343-V346 HydrophobicContact CD1-CG2 4.46Å; L343-V346 VanDerWaalsContact O-CB 3.28Å; L343-V346 WeakPolarHBondContact O-CB 3.33Å; L343-V346 PolarHBondContact O-N 3.2Å; L343-I515 HydrophobicContact CD1-CD1 4.38Å
344	Y	91.3	Very high	90.7	Very high	11 Å²	11	65.9 Å²	65.9	4%	0.043	33%	0.332	C	S	.	.	H	α-helix	trans	-54.7	-34.4	-177.5	92.9	-106.4	0	0	0	115	R272 R273 V346 Q347 E348 E514 W518	R272-Y344 HydrophobicContact CB-CD1 4.08Å; R272-Y344 HydrophobicContact CB-CG 4.21Å; R273-Y344 HydrophobicContact CG-CD1 4.48Å; R273-Y344 HydrophobicContact CG-CE1 3.72Å; Y344-V346 PolarHBondContact O-N 2.59Å; Y344-Q347 WeakPolarHBondContact O-CA 3.37Å; Y344-Q347 VanDerWaalsContact O-CB 3.28Å; Y344-Q347 WeakPolarHBondContact O-CB 3.39Å; Y344-Q347 PolarHBondContact O-N 2.9Å; Y344-E348 HydrophobicContact CD2-CG 4.2Å; Y344-E348 WeakPolarHBondContact CD2-OE1 3.24Å; Y344-E348 PolarHBondContact O-N 3.26Å; Y344-E514 WeakPolarHBondContact CE2-OE2 2.94Å; Y344-E514 PolarHBondContact OH-OE2 2.94Å; Y344-W518 HydrophobicContact CD1-CH2 4.31Å; Y344-W518 HydrophobicContact CD1-CZ2 4.25Å; Y344-W518 AromaticContact CE1-CH2 3.56Å; Y344-W518 HydrophobicContact CE1-CH2 3.56Å; Y344-W518 AromaticContact CE1-CZ2 3.35Å; Y344-W518 HydrophobicContact CE1-CZ2 3.35Å; Y344-W518 AromaticContact CZ-CH2 3.8Å; Y344-W518 AromaticContact CZ-CZ2 3.88Å
345	P	90.8	Very high	90.5	Very high	4 Å²	4	65.4 Å²	65.4	3%	0.026	33%	0.326	C	S	.	.	H	α-helix	trans	-66.7	-26.5	179.4	-23.7	36.3	0	0	0	112.8	L343 Q347 E348 L349 F511 E514 W518	L343-P345 VanDerWaalsContact C-N 3.3Å; P345-Q347 VanDerWaalsContact C-N 3.32Å; P345-E348 PolarHBondContact O-N 3.44Å; P345-L349 VanDerWaalsContact O-CB 3.29Å; P345-L349 WeakPolarHBondContact O-CB 3.42Å; P345-L349 PolarHBondContact O-N 2.78Å; P345-F511 HydrophobicContact CB-CD2 3.74Å; P345-F511 HydrophobicContact CB-CE2 4Å; P345-E514 HydrophobicContact CB-CB 4.41Å; P345-E514 HydrophobicContact CG-CB 4.14Å; P345-W518 HydrophobicContact CG-CH2 3.2Å; P345-W518 HydrophobicContact CG-CZ2 4.41Å; P345-W518 HydrophobicContact CG-CZ3 3.45Å; P345-W518 VanDerWaalsContact CG-CZ3 3.45Å
346	V	91.2	Very high	90.2	Very high	3 Å²	3	65.5 Å²	65.5	2%	0.018	33%	0.329	C	S	.	.	H	α-helix	trans	-64.7	-43.5	173.2	-176.4	0	0	0	0	109	C336 C340 L343 Y344 L349 F350 F511	C336-V346 HydrophobicContact CB-CG2 3.68Å; C340-V346 HydrophobicContact CB-CB 4.21Å; C340-V346 HydrophobicContact CB-CG1 3.64Å; L343-V346 HydrophobicContact CB-CB 4.5Å; L343-V346 HydrophobicContact CB-CG2 3.73Å; L343-V346 HydrophobicContact CD1-CG2 4.46Å; L343-V346 VanDerWaalsContact O-CB 3.28Å; L343-V346 WeakPolarHBondContact O-CB 3.33Å; L343-V346 PolarHBondContact O-N 3.2Å; Y344-V346 PolarHBondContact O-N 2.59Å; V346-L349 PolarHBondContact O-N 3.38Å; V346-F350 HydrophobicContact CG1-CD2 3.95Å; V346-F350 HydrophobicContact CG1-CE2 3.61Å; V346-F350 WeakPolarHBondContact O-CD2 3.47Å; V346-F350 PolarHBondContact O-N 2.81Å; V346-F511 HydrophobicContact CB-CE2 4.42Å; V346-F511 HydrophobicContact CG2-CE2 3.71Å; V346-F511 HydrophobicContact CG2-CZ 4.08Å
347	Q	90.6	Very high	90.2	Very high	61 Å²	61	68.1 Å²	68.1	29%	0.285	35%	0.351	S	S	.	.	H	α-helix	trans	-61.6	-47.9	176.4	-52.8	173.9	-12.9	0	0	110.9	C340 Y344 P345 L349 F350 L351	C340-Q347 VanDerWaalsContact O-CD 3.28Å; C340-Q347 WeakPolarHBondContact O-CG 3.04Å; C340-Q347 PolarHBondContact O-NE2 2.93Å; Y344-Q347 WeakPolarHBondContact O-CA 3.37Å; Y344-Q347 VanDerWaalsContact O-CB 3.28Å; Y344-Q347 WeakPolarHBondContact O-CB 3.39Å; Y344-Q347 PolarHBondContact O-N 2.9Å; P345-Q347 VanDerWaalsContact C-N 3.32Å; Q347-L349 VanDerWaalsContact C-N 3.34Å; Q347-L349 PolarHBondContact O-N 2.8Å; Q347-F350 PolarHBondContact O-N 3.3Å; Q347-L351 WeakPolarHBondContact O-CB 3.35Å; Q347-L351 VanDerWaalsContact O-CG 3.25Å; Q347-L351 WeakPolarHBondContact O-CG 3.44Å; Q347-L351 PolarHBondContact O-N 3.01Å
348	E	89.4	Confident	90.2	Very high	77 Å²	77	64.2 Å²	64.2	36%	0.36	34%	0.336	S	S	.	.	H	α-helix	trans	-64	-39.3	-178	-70.8	-175.6	-179.1	0	0	112.4	R272 Y344 P345 F350 L351 A352	R272-E348 IonicContact CZ-OE1 3.45Å; R272-E348 IonicContact NH1-OE1 2.74Å; R272-E348 PolarHBondContact NH1-OE1 3.11Å; R272-E348 IonicContact NH2-OE1 3.28Å; Y344-E348 HydrophobicContact CD2-CG 4.2Å; Y344-E348 WeakPolarHBondContact CD2-OE1 3.24Å; Y344-E348 PolarHBondContact O-N 3.26Å; P345-E348 PolarHBondContact O-N 3.44Å; E348-F350 VanDerWaalsContact C-N 3.34Å; E348-F350 PolarHBondContact O-N 3.2Å; E348-L351 PolarHBondContact O-N 3.3Å; E348-A352 WeakPolarHBondContact O-CB 3.34Å; E348-A352 PolarHBondContact O-N 3.19Å
349	L	89.8	Confident	90.3	Very high	13 Å²	13	59.5 Å²	59.5	7%	0.068	31%	0.305	C	S	.	.	H	α-helix	trans	-57.3	-48.2	174.8	-170.7	66.4	0	0	0	111	I333 P345 V346 Q347 A352 F354 Q507 F511	I333-L349 HydrophobicContact CD1-CD2 4.28Å; I333-L349 HydrophobicContact CG1-CD2 3.95Å; P345-L349 VanDerWaalsContact O-CB 3.29Å; P345-L349 WeakPolarHBondContact O-CB 3.42Å; P345-L349 PolarHBondContact O-N 2.78Å; V346-L349 PolarHBondContact O-N 3.38Å; Q347-L349 VanDerWaalsContact C-N 3.34Å; Q347-L349 PolarHBondContact O-N 2.8Å; L349-A352 PolarHBondContact O-N 3.4Å; L349-F354 HydrophobicContact CD1-CB 3.87Å; L349-F354 HydrophobicContact CD1-CD1 3.79Å; L349-F354 HydrophobicContact CD1-CD2 3.96Å; L349-F354 HydrophobicContact CD1-CE1 4.26Å; L349-F354 HydrophobicContact CD1-CE2 4.44Å; L349-F354 HydrophobicContact CD1-CG 3.6Å; L349-F354 HydrophobicContact CD2-CD1 3.81Å; L349-F354 HydrophobicContact CD2-CE1 3.96Å; L349-F354 HydrophobicContact CD2-CG 4.48Å; L349-F354 HydrophobicContact CG-CB 3.96Å; L349-F354 HydrophobicContact CG-CD1 3.6Å; L349-F354 HydrophobicContact CG-CE1 4.21Å; L349-F354 HydrophobicContact CG-CG 3.84Å; L349-F354 WeakPolarHBondContact O-CB 3.49Å; L349-F354 PolarHBondContact O-N 3.11Å; L349-Q507 HydrophobicContact CD1-CB 4.34Å; L349-F511 HydrophobicContact CB-CD2 4.45Å; L349-F511 HydrophobicContact CD1-CB 4.25Å; L349-F511 HydrophobicContact CD2-CB 4.32Å; L349-F511 HydrophobicContact CD2-CD1 4.35Å; L349-F511 HydrophobicContact CD2-CD2 4.14Å; L349-F511 HydrophobicContact CD2-CG 3.99Å
350	F	86.4	Confident	90.4	Very high	70 Å²	70	57.1 Å²	57.1	31%	0.307	30%	0.3	S	S	.	.	H	α-helix	trans	-74.6	-32.8	179.9	-68.4	-62.9	0	0	0	113.7	K337 V346 Q347 E348 A352 K353 P356	K337-F350 HydrophobicContact CD-CZ 4.23Å; K337-F350 HydrophobicContact CG-CE2 4.26Å; K337-F350 HydrophobicContact CG-CZ 4.25Å; V346-F350 HydrophobicContact CG1-CD2 3.95Å; V346-F350 HydrophobicContact CG1-CE2 3.61Å; V346-F350 WeakPolarHBondContact O-CD2 3.47Å; V346-F350 PolarHBondContact O-N 2.81Å; Q347-F350 PolarHBondContact O-N 3.3Å; E348-F350 VanDerWaalsContact C-N 3.34Å; E348-F350 PolarHBondContact O-N 3.2Å; F350-A352 PolarHBondContact O-N 2.89Å; F350-K353 PolarHBondContact O-N 3.39Å; F350-K353 VanDerWaalsContact O-N 3.08Å; F350-P356 HydrophobicContact CE1-CG 3.65Å; F350-P356 HydrophobicContact CZ-CG 4.22Å
351	L	87.8	Confident	90.6	Very high	136 Å²	136	58 Å²	58	71%	0.712	31%	0.307	S	S	*	.	H	α-helix	trans	-63.1	-33.2	173	-75.5	170.2	0	0	0	111.8	Q347 E348 K353	Q347-L351 WeakPolarHBondContact O-CB 3.35Å; Q347-L351 VanDerWaalsContact O-CG 3.25Å; Q347-L351 WeakPolarHBondContact O-CG 3.44Å; Q347-L351 PolarHBondContact O-N 3.01Å; E348-L351 PolarHBondContact O-N 3.3Å; L351-K353 PolarHBondContact O-N 3.06Å; L351-K353 VanDerWaalsContact O-N 3.09Å
352	A	83.6	Confident	91	Very high	55 Å²	55	50.1 Å²	50.1	46%	0.455	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	6.7	174.2	0	0	0	0	0	114	E348 L349 F350 F354	E348-A352 WeakPolarHBondContact O-CB 3.34Å; E348-A352 PolarHBondContact O-N 3.19Å; L349-A352 PolarHBondContact O-N 3.4Å; F350-A352 PolarHBondContact O-N 2.89Å; A352-F354 PolarHBondContact O-N 3.15Å
353	K	84.1	Confident	91.3	Very high	192 Å²	192	46 Å²	46	84%	0.835	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	31.1	-175.7	-55.9	-179.1	179.7	178.4	0	113.1	F350 L351 D355	F350-K353 PolarHBondContact O-N 3.39Å; F350-K353 VanDerWaalsContact O-N 3.08Å; L351-K353 PolarHBondContact O-N 3.06Å; L351-K353 VanDerWaalsContact O-N 3.09Å; K353-D355 PolarHBondContact O-N 2.91Å
354	F	90.2	Very high	91.5	Very high	11 Å²	11	49.7 Å²	49.7	5%	0.048	28%	0.278	C	S	.	.			trans	-64.8	130.8	172.5	176.7	-97.5	0	0	0	110	I333 L349 A352 P356 I359 S504 Q507 A508	I333-F354 HydrophobicContact CD1-CE1 3.72Å; I333-F354 HydrophobicContact CD1-CZ 3.91Å; L349-F354 HydrophobicContact CD1-CB 3.87Å; L349-F354 HydrophobicContact CD1-CD1 3.79Å; L349-F354 HydrophobicContact CD1-CD2 3.96Å; L349-F354 HydrophobicContact CD1-CE1 4.26Å; L349-F354 HydrophobicContact CD1-CE2 4.44Å; L349-F354 HydrophobicContact CD1-CG 3.6Å; L349-F354 HydrophobicContact CD2-CD1 3.81Å; L349-F354 HydrophobicContact CD2-CE1 3.96Å; L349-F354 HydrophobicContact CD2-CG 4.48Å; L349-F354 HydrophobicContact CG-CB 3.96Å; L349-F354 HydrophobicContact CG-CD1 3.6Å; L349-F354 HydrophobicContact CG-CE1 4.21Å; L349-F354 HydrophobicContact CG-CG 3.84Å; L349-F354 WeakPolarHBondContact O-CB 3.49Å; L349-F354 PolarHBondContact O-N 3.11Å; A352-F354 PolarHBondContact O-N 3.15Å; F354-P356 HydrophobicContact CD1-CG 4.1Å; F354-P356 HydrophobicContact CE1-CB 4.13Å; F354-P356 HydrophobicContact CE1-CG 4.04Å; F354-P356 WeakPolarHBondContact O-CD 3.34Å; F354-I359 HydrophobicContact CE2-CD1 4.43Å; F354-I359 HydrophobicContact CE2-CG1 4.21Å; F354-I359 HydrophobicContact CZ-CD1 4.28Å; F354-I359 HydrophobicContact CZ-CG1 3.6Å; F354-S504 WeakPolarHBondContact CE2-O 3.46Å; F354-Q507 HydrophobicContact CD2-CB 4.1Å; F354-Q507 HydrophobicContact CE2-CB 4.45Å; F354-A508 HydrophobicContact CE2-CB 4.16Å; F354-A508 HydrophobicContact CZ-CB 3.99Å
355	D	91.6	Very high	91.7	Very high	83 Å²	83	50.6 Å²	50.6	44%	0.444	28%	0.281	S	S	.	.			trans	-99.8	107.8	173	178.6	8.4	0	0	0	109.9	K353 A357 I358	K353-D355 PolarHBondContact O-N 2.91Å; D355-A357 PolarHBondContact O-N 3.32Å; D355-A357 VanDerWaalsContact O-N 3.14Å; D355-A357 VanDerWaalsContact OD1-CB 3.25Å; D355-A357 WeakPolarHBondContact OD1-CB 3.44Å; D355-A357 PolarHBondContact OD1-N 2.92Å; D355-I358 HydrophobicContact CB-CD1 3.87Å; D355-I358 HydrophobicContact CB-CG1 3.98Å; D355-I358 WeakPolarHBondContact O-CB 3.22Å; D355-I358 PolarHBondContact O-N 3.38Å; D355-I358 VanDerWaalsContact O-N 3.08Å
356	P	89.1	Confident	92	Very high	41 Å²	41	50.4 Å²	50.4	27%	0.266	28%	0.28	S	S	.	.	H	α-helix	trans	-58.6	-25.2	178.1	-22.5	33	0	0	0	114	I333 F350 F354 I358 I359	I333-P356 HydrophobicContact CG2-CB 4.23Å; I333-P356 HydrophobicContact CG2-CG 4.3Å; F350-P356 HydrophobicContact CE1-CG 3.65Å; F350-P356 HydrophobicContact CZ-CG 4.22Å; F354-P356 HydrophobicContact CD1-CG 4.1Å; F354-P356 HydrophobicContact CE1-CB 4.13Å; F354-P356 HydrophobicContact CE1-CG 4.04Å; F354-P356 WeakPolarHBondContact O-CD 3.34Å; P356-I358 PolarHBondContact O-N 2.97Å; P356-I359 PolarHBondContact O-N 3.43Å
357	A	93.5	Very high	92.2	Very high	56 Å²	56	53.4 Å²	53.4	46%	0.463	30%	0.295	S	S	.	.	H	α-helix	trans	-64.8	-23.6	179	0	0	0	0	0	112.2	D355 S361	D355-A357 PolarHBondContact O-N 3.32Å; D355-A357 VanDerWaalsContact O-N 3.14Å; D355-A357 VanDerWaalsContact OD1-CB 3.25Å; D355-A357 WeakPolarHBondContact OD1-CB 3.44Å; D355-A357 PolarHBondContact OD1-N 2.92Å; A357-S361 VanDerWaalsContact O-CB 3.23Å; A357-S361 WeakPolarHBondContact O-CB 3.33Å; A357-S361 PolarHBondContact O-N 3.3Å; A357-S361 PolarHBondContact O-OG 2.74Å
358	I	94.6	Very high	92.5	Very high	37 Å²	37	56.6 Å²	56.6	19%	0.19	31%	0.31	C	S	.	.	H	α-helix	trans	-61.7	-47.4	176.7	-66	174.6	0	0	0	110.4	D355 P356 G360 S361 V362 Y501	D355-I358 HydrophobicContact CB-CD1 3.87Å; D355-I358 HydrophobicContact CB-CG1 3.98Å; D355-I358 WeakPolarHBondContact O-CB 3.22Å; D355-I358 PolarHBondContact O-N 3.38Å; D355-I358 VanDerWaalsContact O-N 3.08Å; P356-I358 PolarHBondContact O-N 2.97Å; I358-G360 PolarHBondContact O-N 2.99Å; I358-S361 PolarHBondContact O-N 3.35Å; I358-V362 HydrophobicContact CG2-CG2 4.15Å; I358-V362 WeakPolarHBondContact O-CB 3.44Å; I358-V362 VanDerWaalsContact O-CG2 3.23Å; I358-V362 WeakPolarHBondContact O-CG2 3.24Å; I358-V362 PolarHBondContact O-N 2.73Å; I358-Y501 HydrophobicContact CG2-CD1 3.47Å; I358-Y501 VanDerWaalsContact CG2-CD1 3.47Å; I358-Y501 HydrophobicContact CG2-CE1 4.03Å; I358-Y501 HydrophobicContact CG2-CG 4.14Å
359	I	95.9	Very high	92.9	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-63.7	-46.7	-177.7	-60.2	-57.7	0	0	0	110.8	L326 M329 E330 F354 P356 S361 V362 K363 I505 A508	L326-I359 HydrophobicContact CB-CG2 4.15Å; L326-I359 HydrophobicContact CD2-CD1 4.12Å; L326-I359 HydrophobicContact CD2-CG2 3.97Å; L326-I359 WeakPolarHBondContact O-CG2 3.18Å; M329-I359 HydrophobicContact CB-CG2 4.36Å; E330-I359 HydrophobicContact CB-CG2 4.19Å; F354-I359 HydrophobicContact CE2-CD1 4.43Å; F354-I359 HydrophobicContact CE2-CG1 4.21Å; F354-I359 HydrophobicContact CZ-CD1 4.28Å; F354-I359 HydrophobicContact CZ-CG1 3.6Å; P356-I359 PolarHBondContact O-N 3.43Å; I359-S361 VanDerWaalsContact C-N 3.33Å; I359-S361 PolarHBondContact O-N 3.17Å; I359-V362 PolarHBondContact O-N 2.94Å; I359-K363 WeakPolarHBondContact O-CB 3.12Å; I359-K363 PolarHBondContact O-N 2.95Å; I359-I505 HydrophobicContact CD1-CG1 4.21Å; I359-A508 HydrophobicContact CD1-CB 4Å; I359-A508 HydrophobicContact CG1-CB 4.17Å
360	G	95.8	Very high	93.2	Very high	15 Å²	15	53.1 Å²	53.1	16%	0.155	30%	0.295	C	S	.	.	H	α-helix	trans	-61.6	-40.9	176.3	0	0	0	0	0	112.4	I358 S364	I358-G360 PolarHBondContact O-N 2.99Å; G360-S364 VanDerWaalsContact O-CB 3.31Å; G360-S364 WeakPolarHBondContact O-CB 3.48Å; G360-S364 PolarHBondContact O-N 2.84Å
361	S	96.2	Very high	93.7	Very high	68 Å²	68	51 Å²	51	48%	0.476	29%	0.287	S	S	.	.	H	α-helix	trans	-63.4	-47.5	175.7	-61.1	0	0	0	0	111.6	A357 I358 I359 S364 W365	A357-S361 VanDerWaalsContact O-CB 3.23Å; A357-S361 WeakPolarHBondContact O-CB 3.33Å; A357-S361 PolarHBondContact O-N 3.3Å; A357-S361 PolarHBondContact O-OG 2.74Å; I358-S361 PolarHBondContact O-N 3.35Å; I359-S361 VanDerWaalsContact C-N 3.33Å; I359-S361 PolarHBondContact O-N 3.17Å; S361-S364 PolarHBondContact O-N 2.71Å; S361-W365 PolarHBondContact O-N 3.31Å; S361-W365 VanDerWaalsContact O-N 3.14Å
362	V	96.7	Very high	93.9	Very high	1 Å²	1	46 Å²	46	1%	0.006	26%	0.262	C	S	.	.	H	α-helix	trans	-57.3	-49.5	176.9	173.6	0	0	0	0	111.5	L326 I358 I359 S364 W365 L366 Y501 I505	L326-V362 HydrophobicContact CD1-CB 4.45Å; L326-V362 HydrophobicContact CD1-CG1 3.64Å; L326-V362 HydrophobicContact CD2-CG1 4.5Å; I358-V362 HydrophobicContact CG2-CG2 4.15Å; I358-V362 WeakPolarHBondContact O-CB 3.44Å; I358-V362 VanDerWaalsContact O-CG2 3.23Å; I358-V362 WeakPolarHBondContact O-CG2 3.24Å; I358-V362 PolarHBondContact O-N 2.73Å; I359-V362 PolarHBondContact O-N 2.94Å; V362-S364 PolarHBondContact O-N 3Å; V362-W365 VanDerWaalsContact CA-NE1 3.28Å; V362-W365 HydrophobicContact CB-CZ2 4.11Å; V362-W365 HydrophobicContact CG1-CH2 4.21Å; V362-W365 HydrophobicContact CG1-CZ2 3.61Å; V362-W365 HydrophobicContact CG2-CZ2 4.07Å; V362-L366 HydrophobicContact CG1-CD1 3.99Å; V362-L366 VanDerWaalsContact O-CG 3.3Å; V362-L366 WeakPolarHBondContact O-CG 3.28Å; V362-L366 PolarHBondContact O-N 3.38Å; V362-L366 VanDerWaalsContact O-N 3.16Å; V362-Y501 HydrophobicContact CG2-CD1 4.4Å; V362-Y501 HydrophobicContact CG2-CD2 3.76Å; V362-Y501 HydrophobicContact CG2-CE2 4.28Å; V362-Y501 HydrophobicContact CG2-CG 3.82Å; V362-I505 HydrophobicContact CG1-CD1 4.44Å
363	K	96.6	Very high	94.3	Very high	33 Å²	33	50.9 Å²	50.9	14%	0.143	28%	0.275	C	S	.	.	H	α-helix	trans	-57.3	-47.6	174.9	-173.9	-173.4	75.8	-179.8	0	112	L326 D327 E330 I359 L366 I367	L326-K363 HydrophobicContact CB-CB 4.1Å; L326-K363 HydrophobicContact CB-CG 4.4Å; D327-K363 HydrophobicContact CB-CD 3.77Å; D327-K363 IonicContact OD1-NZ 3.39Å; D327-K363 PolarHBondContact OD1-NZ 3.16Å; E330-K363 WeakPolarHBondContact OE2-CE 3.38Å; E330-K363 IonicContact OE2-NZ 2.78Å; E330-K363 PolarHBondContact OE2-NZ 3.5Å; I359-K363 WeakPolarHBondContact O-CB 3.12Å; I359-K363 PolarHBondContact O-N 2.95Å; K363-L366 PolarHBondContact O-N 3.42Å; K363-I367 HydrophobicContact CD-CD1 4.33Å; K363-I367 HydrophobicContact CG-CD1 3.78Å; K363-I367 HydrophobicContact CG-CG1 4.49Å; K363-I367 WeakPolarHBondContact O-CG1 3.17Å; K363-I367 PolarHBondContact O-N 3.35Å
364	S	96.4	Very high	94.8	Very high	77 Å²	77	46 Å²	46	54%	0.538	25%	0.254	S	S	.	.	H	α-helix	trans	-60	-49.3	-175.1	179.9	0	0	0	0	112.3	G360 S361 V362 I367 H368	G360-S364 VanDerWaalsContact O-CB 3.31Å; G360-S364 WeakPolarHBondContact O-CB 3.48Å; G360-S364 PolarHBondContact O-N 2.84Å; S361-S364 PolarHBondContact O-N 2.71Å; V362-S364 PolarHBondContact O-N 3Å; S364-I367 PolarHBondContact O-N 2.88Å; S364-H368 PolarHBondContact O-N 3.08Å
365	W	95.6	Very high	95	Very high	29 Å²	29	45.6 Å²	45.6	11%	0.11	25%	0.252	C	S	.	.	H	α-helix	trans	-71.5	-31.5	179.5	60.7	-111.6	0	0	0	112.7	S361 V362 H368 V369 L494 R497 L498	S361-W365 PolarHBondContact O-N 3.31Å; S361-W365 VanDerWaalsContact O-N 3.14Å; V362-W365 VanDerWaalsContact CA-NE1 3.28Å; V362-W365 HydrophobicContact CB-CZ2 4.11Å; V362-W365 HydrophobicContact CG1-CH2 4.21Å; V362-W365 HydrophobicContact CG1-CZ2 3.61Å; V362-W365 HydrophobicContact CG2-CZ2 4.07Å; W365-H368 PolarHBondContact O-N 3.48Å; W365-V369 WeakPolarHBondContact O-CG2 3.16Å; W365-V369 PolarHBondContact O-N 3.28Å; W365-L494 HydrophobicContact CE3-CD1 3.43Å; W365-L494 VanDerWaalsContact CE3-CD1 3.43Å; W365-L494 HydrophobicContact CE3-CG 4.33Å; W365-L494 HydrophobicContact CH2-CD1 4.35Å; W365-L494 HydrophobicContact CZ3-CD1 3.21Å; W365-L494 HydrophobicContact CZ3-CD2 4.47Å; W365-L494 HydrophobicContact CZ3-CG 3.66Å; W365-R497 HydrophobicContact CZ2-CG 4.45Å; W365-L498 HydrophobicContact CH2-CB 3.88Å; W365-L498 HydrophobicContact CH2-CD1 4.28Å; W365-L498 HydrophobicContact CH2-CG 4.32Å
366	L	97.2	Very high	94.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.5	-47.3	172.8	-77.6	169.2	0	0	0	111.2	W319 I322 I323 L326 V362 K363 H368 V369 I370 L494 L498	W319-L366 HydrophobicContact CE3-CD2 4.09Å; W319-L366 HydrophobicContact CZ3-CD2 3.85Å; I322-L366 HydrophobicContact CG2-CD1 4.34Å; I323-L366 HydrophobicContact CD1-CB 4.06Å; I323-L366 HydrophobicContact CG1-CB 3.79Å; I323-L366 HydrophobicContact CG1-CD1 4.11Å; L326-L366 HydrophobicContact CD1-CD1 3.51Å; V362-L366 HydrophobicContact CG1-CD1 3.99Å; V362-L366 VanDerWaalsContact O-CG 3.3Å; V362-L366 WeakPolarHBondContact O-CG 3.28Å; V362-L366 PolarHBondContact O-N 3.38Å; V362-L366 VanDerWaalsContact O-N 3.16Å; K363-L366 PolarHBondContact O-N 3.42Å; L366-H368 VanDerWaalsContact C-N 3.28Å; L366-H368 PolarHBondContact O-N 3.31Å; L366-V369 PolarHBondContact O-N 2.95Å; L366-I370 HydrophobicContact CB-CD1 4.47Å; L366-I370 HydrophobicContact CD2-CD1 3.72Å; L366-I370 WeakPolarHBondContact O-CB 3.45Å; L366-I370 VanDerWaalsContact O-CG1 3.31Å; L366-I370 WeakPolarHBondContact O-CG1 3.35Å; L366-I370 PolarHBondContact O-N 3.37Å; L366-L494 HydrophobicContact CD2-CD2 4.08Å; L366-L494 HydrophobicContact CD2-CG 4.24Å; L366-L498 HydrophobicContact CD1-CD1 4.01Å; L366-L498 HydrophobicContact CD2-CD1 4.16Å
367	I	96.4	Very high	94.9	Very high	67 Å²	67	52.2 Å²	52.2	34%	0.344	27%	0.274	S	S	.	.	H	α-helix	trans	-64	-36.4	178.3	-68.3	170.9	0	0	0	111.1	I323 K363 S364 R384	I323-I367 HydrophobicContact CD1-CG1 4.41Å; I323-I367 HydrophobicContact CG2-CD1 3.96Å; I323-I367 HydrophobicContact CG2-CG1 3.66Å; K363-I367 HydrophobicContact CD-CD1 4.33Å; K363-I367 HydrophobicContact CG-CD1 3.78Å; K363-I367 HydrophobicContact CG-CG1 4.49Å; K363-I367 WeakPolarHBondContact O-CG1 3.17Å; K363-I367 PolarHBondContact O-N 3.35Å; S364-I367 PolarHBondContact O-N 2.88Å; I367-R384 VanDerWaalsContact O-CD 3.29Å; I367-R384 WeakPolarHBondContact O-CD 3.22Å; I367-R384 PolarHBondContact O-NE 3.3Å
368	H	96.6	Very high	94.7	Very high	127 Å²	127	54.2 Å²	54.2	59%	0.588	27%	0.274	S	S	*	.	H	α-helix	trans	-69.1	-34.9	178.9	-171.1	70.7	0	0	0	112.7	S364 W365 L366 R384 V387	S364-H368 PolarHBondContact O-N 3.08Å; W365-H368 PolarHBondContact O-N 3.48Å; L366-H368 VanDerWaalsContact C-N 3.28Å; L366-H368 PolarHBondContact O-N 3.31Å; H368-R384 WeakPolarHBondContact O-CD 3.46Å; H368-V387 WeakPolarHBondContact O-CG2 3.33Å
369	V	97.2	Very high	94.5	Very high	18 Å²	18	59.2 Å²	59.2	11%	0.109	30%	0.296	C	S	.	.	H	α-helix	trans	-85.7	-40.2	-178.3	174.9	0	0	0	0	112.5	W365 L366 V383 R384 V387 I490 L494	W365-V369 WeakPolarHBondContact O-CG2 3.16Å; W365-V369 PolarHBondContact O-N 3.28Å; L366-V369 PolarHBondContact O-N 2.95Å; V369-V383 WeakPolarHBondContact O-CA 3.25Å; V369-R384 PolarHBondContact O-N 3.43Å; V369-V387 HydrophobicContact CG1-CG1 4.33Å; V369-V387 HydrophobicContact CG2-CG1 4.36Å; V369-I490 HydrophobicContact CG1-CG2 3.98Å; V369-L494 HydrophobicContact CB-CD1 4.24Å; V369-L494 HydrophobicContact CB-CD2 4.24Å; V369-L494 HydrophobicContact CG1-CD1 4.14Å; V369-L494 HydrophobicContact CG1-CD2 3.79Å; V369-L494 HydrophobicContact CG2-CD1 4.18Å
370	I	96.8	Very high	94.3	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-98.3	128.2	-166.6	-53.8	174.3	0	0	0	111.2	W319 I323 L366 T372 F381 R384 L494	W319-I370 HydrophobicContact CB-CD1 4.15Å; W319-I370 HydrophobicContact CD2-CD1 3.86Å; W319-I370 HydrophobicContact CE3-CD1 3.34Å; W319-I370 HydrophobicContact CG-CD1 4.23Å; W319-I370 HydrophobicContact CZ3-CD1 3.95Å; I323-I370 HydrophobicContact CD1-CD1 4.27Å; L366-I370 HydrophobicContact CB-CD1 4.47Å; L366-I370 HydrophobicContact CD2-CD1 3.72Å; L366-I370 WeakPolarHBondContact O-CB 3.45Å; L366-I370 VanDerWaalsContact O-CG1 3.31Å; L366-I370 WeakPolarHBondContact O-CG1 3.35Å; L366-I370 PolarHBondContact O-N 3.37Å; I370-T372 HydrophobicContact CG2-CG2 4.06Å; I370-T372 PolarHBondContact O-N 3Å; I370-F381 HydrophobicContact CD1-CE2 3.83Å; I370-F381 HydrophobicContact CD1-CZ 4.41Å; I370-F381 HydrophobicContact CG1-CE2 3.68Å; I370-F381 HydrophobicContact CG1-CZ 3.87Å; I370-F381 HydrophobicContact CG2-CE2 4.26Å; I370-R384 PolarHBondContact O-NE 2.79Å; I370-L494 HydrophobicContact CD1-CD2 3.65Å; I370-L494 HydrophobicContact CG1-CD2 3.67Å
371	D	96	Very high	94.2	Very high	26 Å²	26	62 Å²	62	14%	0.139	30%	0.303	C	S	.	.			trans	-87.1	90.3	166.2	-170.4	-29.6	0	0	0	108.3	E373 K374 T375 V382 R384	D371-E373 VanDerWaalsContact C-N 3.27Å; D371-E373 PolarHBondContact O-N 3.1Å; D371-E373 PolarHBondContact OD1-N 2.79Å; D371-K374 HydrophobicContact CB-CB 4.2Å; D371-K374 PolarHBondContact OD1-N 3.46Å; D371-K374 VanDerWaalsContact OD2-CD 3.22Å; D371-K374 WeakPolarHBondContact OD2-CD 3.33Å; D371-K374 WeakPolarHBondContact OD2-CE 3.32Å; D371-K374 WeakPolarHBondContact OD2-CG 3.26Å; D371-T375 WeakPolarHBondContact O-CB 3.4Å; D371-T375 PolarHBondContact O-N 2.84Å; D371-T375 PolarHBondContact O-OG1 3.32Å; D371-V382 HydrophobicContact CB-CB 4.42Å; D371-V382 HydrophobicContact CB-CG1 4.16Å; D371-V382 PolarHBondContact N-O 2.96Å; D371-R384 HydrophobicContact CB-CG 3.85Å
372	T	92.4	Very high	94.1	Very high	30 Å²	30	59.1 Å²	59.1	18%	0.184	28%	0.282	C	S	.	.	H	α-helix	trans	-64.1	-31.4	-175.1	49.4	0	0	0	0	113.1	I323 I370 E376	I323-T372 HydrophobicContact CD1-CG2 3.61Å; I370-T372 HydrophobicContact CG2-CG2 4.06Å; I370-T372 PolarHBondContact O-N 3Å; T372-E376 PolarHBondContact O-N 3.39Å
373	E	92.6	Very high	94.1	Very high	158 Å²	158	59.4 Å²	59.4	74%	0.738	28%	0.284	S	S	*	.	H	α-helix	trans	-72.5	-49.3	-179.4	-67.3	-178.1	-175.1	0	0	110.7	D371 T375 E376 K377	D371-E373 VanDerWaalsContact C-N 3.27Å; D371-E373 PolarHBondContact O-N 3.1Å; D371-E373 PolarHBondContact OD1-N 2.79Å; E373-T375 VanDerWaalsContact C-N 3.32Å; E373-E376 PolarHBondContact O-N 3.28Å; E373-K377 WeakPolarHBondContact O-CB 3.48Å; E373-K377 PolarHBondContact O-N 3.44Å
374	K	93.3	Very high	94.1	Very high	88 Å²	88	62.5 Å²	62.5	38%	0.383	30%	0.295	S	S	.	.	H	α-helix	trans	-66.1	-37.7	174.8	-70.1	-171.8	-172	175.9	0	111.9	D371 E376 K377 E378 V382	D371-K374 HydrophobicContact CB-CB 4.2Å; D371-K374 PolarHBondContact OD1-N 3.46Å; D371-K374 VanDerWaalsContact OD2-CD 3.22Å; D371-K374 WeakPolarHBondContact OD2-CD 3.33Å; D371-K374 WeakPolarHBondContact OD2-CE 3.32Å; D371-K374 WeakPolarHBondContact OD2-CG 3.26Å; K374-E376 VanDerWaalsContact C-N 3.26Å; K374-E376 PolarHBondContact O-N 3.45Å; K374-K377 PolarHBondContact O-N 2.76Å; K374-E378 WeakPolarHBondContact O-CB 3.41Å; K374-E378 WeakPolarHBondContact O-CG 3.22Å; K374-E378 PolarHBondContact O-N 2.62Å; K374-V382 HydrophobicContact CB-CB 3.91Å; K374-V382 HydrophobicContact CB-CG1 3.76Å; K374-V382 HydrophobicContact CB-CG2 4.04Å; K374-V382 HydrophobicContact CD-CG1 3.9Å
375	T	93.7	Very high	94	Very high	3 Å²	3	66.5 Å²	66.5	2%	0.018	30%	0.298	C	S	.	.	H	α-helix	trans	-57.6	-42.1	178.4	-68.3	0	0	0	0	111.7	P316 D371 E373 Q379 R380 V382	P316-T375 HydrophobicContact CB-CG2 3.72Å; D371-T375 WeakPolarHBondContact O-CB 3.4Å; D371-T375 PolarHBondContact O-N 2.84Å; D371-T375 PolarHBondContact O-OG1 3.32Å; E373-T375 VanDerWaalsContact C-N 3.32Å; T375-Q379 WeakPolarHBondContact O-CA 3.45Å; T375-Q379 PolarHBondContact O-N 3.47Å; T375-Q379 VanDerWaalsContact O-N 3.13Å; T375-R380 WeakPolarHBondContact CA-O 3.46Å; T375-R380 WeakPolarHBondContact CG2-O 3.5Å; T375-R380 PolarHBondContact O-N 3.31Å; T375-V382 PolarHBondContact OG1-N 2.91Å; T375-V382 PolarHBondContact OG1-O 3.3Å
376	E	89.2	Confident	94	Very high	81 Å²	81	67.8 Å²	67.8	38%	0.379	32%	0.32	S	S	.	.	H	α-helix	trans	-73.3	-42.3	176.6	-172.5	165.4	-161.7	0	0	112.1	R320 T372 E373 K374 Q379	R320-E376 WeakPolarHBondContact CD-OE2 3.41Å; R320-E376 IonicContact CZ-OE1 3.84Å; R320-E376 VanDerWaalsContact CZ-OE1 3.28Å; R320-E376 IonicContact CZ-OE2 2.63Å; R320-E376 IonicContact NE-OE2 2.79Å; R320-E376 IonicContact NH1-OE1 3.85Å; R320-E376 PolarHBondContact NH1-OE1 2.78Å; R320-E376 IonicContact NH1-OE2 3.68Å; R320-E376 PolarHBondContact NH1-OE2 3.38Å; R320-E376 IonicContact NH2-OE1 3.54Å; T372-E376 PolarHBondContact O-N 3.39Å; E373-E376 PolarHBondContact O-N 3.28Å; K374-E376 VanDerWaalsContact C-N 3.26Å; K374-E376 PolarHBondContact O-N 3.45Å; E376-Q379 PolarHBondContact O-N 3.31Å; E376-Q379 PolarHBondContact O-NE2 2.82Å
377	K	90.9	Very high	93.8	Very high	182 Å²	182	70.1 Å²	70.1	79%	0.791	34%	0.335	S	S	*	.	H	α-helix	trans	-65.3	-43.8	-179.7	-173.3	-179.1	178.4	-175.9	0	112.7	E373 K374 Q379	E373-K377 WeakPolarHBondContact O-CB 3.48Å; E373-K377 PolarHBondContact O-N 3.44Å; K374-K377 PolarHBondContact O-N 2.76Å; K377-Q379 VanDerWaalsContact C-N 3.35Å
378	E	89.7	Confident	93.8	Very high	98 Å²	98	69.6 Å²	69.6	46%	0.458	33%	0.332	S	S	.	.	H	α-helix	trans	-85.5	-9.6	-177.6	-64.3	-177.1	-156.9	0	0	112.8	K374 R380 V382	K374-E378 WeakPolarHBondContact O-CB 3.41Å; K374-E378 WeakPolarHBondContact O-CG 3.22Å; K374-E378 PolarHBondContact O-N 2.62Å; E378-R380 PolarHBondContact O-N 2.83Å; E378-R380 IonicContact OE2-NH2 3.85Å; E378-V382 HydrophobicContact CB-CG2 4.33Å; E378-V382 WeakPolarHBondContact OE2-CG2 3.49Å
379	Q	90.3	Very high	93.7	Very high	142 Å²	142	68.2 Å²	68.2	66%	0.664	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	38.9	-174.9	-63.1	-71.9	-57	0	0	112	P316 T375 E376 K377	P316-Q379 VanDerWaalsContact CG-C 3.44Å; P316-Q379 WeakPolarHBondContact CG-O 3.34Å; T375-Q379 WeakPolarHBondContact O-CA 3.45Å; T375-Q379 PolarHBondContact O-N 3.47Å; T375-Q379 VanDerWaalsContact O-N 3.13Å; E376-Q379 PolarHBondContact O-N 3.31Å; E376-Q379 PolarHBondContact O-NE2 2.82Å; K377-Q379 VanDerWaalsContact C-N 3.35Å
380	R	90.5	Very high	93.5	Very high	63 Å²	63	70.3 Å²	70.3	24%	0.238	35%	0.346	C	S	.	.	S	Bend	trans	-150.9	152	-178.6	-171.6	174.4	70	89.9	5.3	108.8	T375 E378 V382 E487	T375-R380 WeakPolarHBondContact CA-O 3.46Å; T375-R380 WeakPolarHBondContact CG2-O 3.5Å; T375-R380 PolarHBondContact O-N 3.31Å; E378-R380 PolarHBondContact O-N 2.83Å; E378-R380 IonicContact OE2-NH2 3.85Å; R380-V382 PolarHBondContact O-N 3.13Å; R380-E487 IonicContact CZ-OE2 2.72Å; R380-E487 IonicContact NH1-OE2 3.66Å; R380-E487 PolarHBondContact NH1-OE2 3.36Å; R380-E487 IonicContact NH2-OE2 3.7Å; R380-E487 PolarHBondContact NH2-OE2 2.93Å
381	F	93.1	Very high	93.5	Very high	12 Å²	12	70.4 Å²	70.4	5%	0.053	35%	0.346	C	S	.	.			trans	-64.1	124.2	173.1	-176.2	-95	0	0	0	110.1	W319 I370 V383 E487 I490 M491 L494	W319-F381 AromaticContact CD1-CD2 3.72Å; W319-F381 HydrophobicContact CD2-CD2 4.11Å; W319-F381 AromaticContact CD2-CE2 3.9Å; W319-F381 HydrophobicContact CD2-CE2 3.9Å; W319-F381 AromaticContact CE2-CD2 3.71Å; W319-F381 AromaticContact CE2-CE2 3.71Å; W319-F381 HydrophobicContact CE3-CE2 4.38Å; W319-F381 HydrophobicContact CG-CD2 4.09Å; W319-F381 HydrophobicContact CG-CE2 4.23Å; W319-F381 HydrophobicContact CH2-CE2 4.43Å; W319-F381 HydrophobicContact CZ2-CD2 4.26Å; W319-F381 HydrophobicContact CZ2-CE2 4Å; W319-F381 AromaticContact NE1-CD2 3.46Å; W319-F381 AromaticContact NE1-CE2 3.97Å; I370-F381 HydrophobicContact CD1-CE2 3.83Å; I370-F381 HydrophobicContact CD1-CZ 4.41Å; I370-F381 HydrophobicContact CG1-CE2 3.68Å; I370-F381 HydrophobicContact CG1-CZ 3.87Å; I370-F381 HydrophobicContact CG2-CE2 4.26Å; F381-V383 HydrophobicContact CD1-CG2 4.09Å; F381-V383 HydrophobicContact CE1-CG2 3.49Å; F381-V383 VanDerWaalsContact CE1-CG2 3.49Å; F381-V383 HydrophobicContact CZ-CG2 4.42Å; F381-E487 HydrophobicContact CD1-CB 4.44Å; F381-I490 HydrophobicContact CE1-CG2 4.49Å; F381-M491 HydrophobicContact CB-CG 4.33Å; F381-M491 HydrophobicContact CB-SD 3.93Å; F381-M491 HydrophobicContact CD1-CB 3.64Å; F381-M491 HydrophobicContact CD1-CG 4.09Å; F381-M491 HydrophobicContact CD2-CB 4.32Å; F381-M491 HydrophobicContact CD2-CG 3.89Å; F381-M491 HydrophobicContact CD2-SD 4.39Å; F381-M491 HydrophobicContact CE1-CB 3.71Å; F381-M491 HydrophobicContact CE1-CG 4.31Å; F381-M491 HydrophobicContact CE2-CB 4.39Å; F381-M491 HydrophobicContact CE2-CG 4.12Å; F381-M491 HydrophobicContact CG-CB 3.94Å; F381-M491 HydrophobicContact CG-CG 3.85Å; F381-M491 HydrophobicContact CG-SD 4.12Å; F381-M491 HydrophobicContact CZ-CB 4.1Å; F381-M491 HydrophobicContact CZ-CG 4.33Å; F381-L494 HydrophobicContact CE2-CD2 4.1Å; F381-L494 HydrophobicContact CZ-CD2 3.75Å
382	V	95.3	Very high	93.4	Very high	7 Å²	7	70.3 Å²	70.3	4%	0.042	35%	0.346	C	S	.	.			trans	-122.4	130.3	179.4	-178.5	0	0	0	0	109.9	D371 K374 T375 E378 R380 E487	D371-V382 HydrophobicContact CB-CB 4.42Å; D371-V382 HydrophobicContact CB-CG1 4.16Å; D371-V382 PolarHBondContact N-O 2.96Å; K374-V382 HydrophobicContact CB-CB 3.91Å; K374-V382 HydrophobicContact CB-CG1 3.76Å; K374-V382 HydrophobicContact CB-CG2 4.04Å; K374-V382 HydrophobicContact CD-CG1 3.9Å; T375-V382 PolarHBondContact OG1-N 2.91Å; T375-V382 PolarHBondContact OG1-O 3.3Å; E378-V382 HydrophobicContact CB-CG2 4.33Å; E378-V382 WeakPolarHBondContact OE2-CG2 3.49Å; R380-V382 PolarHBondContact O-N 3.13Å; V382-E487 WeakPolarHBondContact CA-OE1 3.25Å
383	V	96.7	Very high	93.5	Very high	6 Å²	6	75.3 Å²	75.3	4%	0.036	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-89.4	141.1	-179.6	176.5	0	0	0	0	110.1	V369 F381 V387 L391 E487 I490	V369-V383 WeakPolarHBondContact O-CA 3.25Å; F381-V383 HydrophobicContact CD1-CG2 4.09Å; F381-V383 HydrophobicContact CE1-CG2 3.49Å; F381-V383 VanDerWaalsContact CE1-CG2 3.49Å; F381-V383 HydrophobicContact CZ-CG2 4.42Å; V383-V387 HydrophobicContact CG1-CB 3.62Å; V383-V387 HydrophobicContact CG1-CG1 3.81Å; V383-V387 HydrophobicContact CG1-CG2 3.96Å; V383-L391 HydrophobicContact CB-CD2 3.72Å; V383-L391 HydrophobicContact CG1-CD2 4Å; V383-L391 HydrophobicContact CG2-CD2 4.17Å; V383-E487 HydrophobicContact CB-CG 4.2Å; V383-E487 HydrophobicContact CG2-CB 4.25Å; V383-E487 HydrophobicContact CG2-CG 3.81Å; V383-E487 PolarHBondContact N-OE1 3.15Å; V383-I490 HydrophobicContact CG1-CD1 4.31Å; V383-I490 HydrophobicContact CG2-CB 4.17Å; V383-I490 HydrophobicContact CG2-CD1 4.1Å; V383-I490 HydrophobicContact CG2-CG2 3.86Å
384	R	96.2	Very high	93.5	Very high	99 Å²	99	72.2 Å²	72.2	37%	0.374	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-67.7	149.9	174.7	-81.9	-176.1	-173.7	-118.6	2.2	111.6	I367 H368 V369 I370 D371 V387	I367-R384 VanDerWaalsContact O-CD 3.29Å; I367-R384 WeakPolarHBondContact O-CD 3.22Å; I367-R384 PolarHBondContact O-NE 3.3Å; H368-R384 WeakPolarHBondContact O-CD 3.46Å; V369-R384 PolarHBondContact O-N 3.43Å; I370-R384 PolarHBondContact O-NE 2.79Å; D371-R384 HydrophobicContact CB-CG 3.85Å; R384-V387 HydrophobicContact CB-CG2 4.16Å; R384-V387 VanDerWaalsContact O-CG2 3.28Å; R384-V387 WeakPolarHBondContact O-CG2 3.5Å; R384-V387 PolarHBondContact O-N 3.12Å
385	R	94.5	Very high	93.4	Very high	160 Å²	160	69.9 Å²	69.9	60%	0.604	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	141.6	170.4	-73.2	-171.1	172.5	-166	-3.5	111.6	D392	R385-D392 WeakPolarHBondContact CA-OD1 3.48Å
386	G	94.5	Very high	93.4	Very high	57 Å²	57	74.6 Å²	74.6	59%	0.588	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.9	-5	-179.9	0	0	0	0	0	114.9	D392	G386-D392 WeakPolarHBondContact CA-OD2 3.21Å; G386-D392 PolarHBondContact N-OD2 2.77Å
387	V	94.8	Very high	93.4	Very high	49 Å²	49	72.9 Å²	72.9	30%	0.297	36%	0.355	S	S	.	.	S	Bend	trans	-80.1	-45	176.2	177.7	0	0	0	0	111	H368 V369 V383 R384	H368-V387 WeakPolarHBondContact O-CG2 3.33Å; V369-V387 HydrophobicContact CG1-CG1 4.33Å; V369-V387 HydrophobicContact CG2-CG1 4.36Å; V383-V387 HydrophobicContact CG1-CB 3.62Å; V383-V387 HydrophobicContact CG1-CG1 3.81Å; V383-V387 HydrophobicContact CG1-CG2 3.96Å; R384-V387 HydrophobicContact CB-CG2 4.16Å; R384-V387 VanDerWaalsContact O-CG2 3.28Å; R384-V387 WeakPolarHBondContact O-CG2 3.5Å; R384-V387 PolarHBondContact O-N 3.12Å
388	D	95.4	Very high	93.3	Very high	56 Å²	56	69.4 Å²	69.4	30%	0.299	34%	0.338	S	S	.	.			trans	-134.9	115.6	177.6	-175.2	-61.3	0	0	0	110	T390 L391 D392 I490	D388-T390 VanDerWaalsContact C-N 3.26Å; D388-T390 PolarHBondContact O-N 3.24Å; D388-T390 WeakPolarHBondContact OD1-CA 3.39Å; D388-T390 VanDerWaalsContact OD1-CB 3.26Å; D388-T390 WeakPolarHBondContact OD1-CB 3.39Å; D388-T390 PolarHBondContact OD1-N 2.74Å; D388-L391 HydrophobicContact CB-CB 3.84Å; D388-L391 PolarHBondContact O-N 3.45Å; D388-L391 PolarHBondContact OD1-N 2.91Å; D388-D392 VanDerWaalsContact O-CG 3.28Å; D388-D392 PolarHBondContact O-N 2.79Å; D388-I490 HydrophobicContact CB-CD1 3.97Å
389	T	94.8	Very high	93.3	Very high	97 Å²	97	67.7 Å²	67.7	60%	0.595	34%	0.341	S	S	*	.	H	α-helix	trans	-68.1	-25.1	-175.7	58	0	0	0	0	113.7	K393	T389-K393 WeakPolarHBondContact O-CG 3.42Å; T389-K393 PolarHBondContact O-N 3.32Å
390	T	93.9	Very high	93.2	Very high	63 Å²	63	64.8 Å²	64.8	39%	0.387	34%	0.335	S	S	.	.	H	α-helix	trans	-77.4	-44.5	178.7	-49.5	0	0	0	0	109.3	D388 D392 K393 W394	D388-T390 VanDerWaalsContact C-N 3.26Å; D388-T390 PolarHBondContact O-N 3.24Å; D388-T390 WeakPolarHBondContact OD1-CA 3.39Å; D388-T390 VanDerWaalsContact OD1-CB 3.26Å; D388-T390 WeakPolarHBondContact OD1-CB 3.39Å; D388-T390 PolarHBondContact OD1-N 2.74Å; T390-D392 VanDerWaalsContact C-N 3.3Å; T390-D392 PolarHBondContact O-N 2.99Å; T390-K393 PolarHBondContact O-N 2.88Å; T390-W394 HydrophobicContact CG2-CD2 4.15Å; T390-W394 HydrophobicContact CG2-CE3 4.2Å; T390-W394 HydrophobicContact CG2-CH2 3.55Å; T390-W394 HydrophobicContact CG2-CZ2 3.5Å; T390-W394 VanDerWaalsContact CG2-CZ2 3.5Å; T390-W394 HydrophobicContact CG2-CZ3 3.89Å; T390-W394 PolarHBondContact O-N 2.81Å
391	L	94.8	Very high	93.1	Very high	2 Å²	2	62.3 Å²	62.3	1%	0.01	33%	0.327	C	S	.	.	H	α-helix	trans	-59.5	-40.6	172.8	-179.3	58.7	0	0	0	111.8	V383 D388 K393 W394 N395 I483 A486 E487 I490	V383-L391 HydrophobicContact CB-CD2 3.72Å; V383-L391 HydrophobicContact CG1-CD2 4Å; V383-L391 HydrophobicContact CG2-CD2 4.17Å; D388-L391 HydrophobicContact CB-CB 3.84Å; D388-L391 PolarHBondContact O-N 3.45Å; D388-L391 PolarHBondContact OD1-N 2.91Å; L391-K393 PolarHBondContact O-N 3.25Å; L391-W394 PolarHBondContact O-N 2.69Å; L391-N395 WeakPolarHBondContact O-CB 3.12Å; L391-N395 PolarHBondContact O-N 2.95Å; L391-N395 PolarHBondContact O-ND2 2.97Å; L391-I483 HydrophobicContact CD1-CB 4.17Å; L391-I483 HydrophobicContact CD1-CG1 4.18Å; L391-I483 HydrophobicContact CD1-CG2 3.93Å; L391-A486 HydrophobicContact CD1-CB 4.14Å; L391-E487 HydrophobicContact CD1-CG 4Å; L391-E487 HydrophobicContact CD2-CG 3.59Å; L391-E487 HydrophobicContact CG-CG 4.43Å; L391-I490 HydrophobicContact CD2-CD1 4.01Å
392	D	95.1	Very high	92.9	Very high	23 Å²	23	65.3 Å²	65.3	12%	0.123	35%	0.348	C	S	.	.	H	α-helix	trans	-59.9	-45.6	175.7	-74.3	-24.6	0	0	0	111.9	R385 G386 D388 T390 W394 N395 E396	R385-D392 WeakPolarHBondContact CA-OD1 3.48Å; G386-D392 WeakPolarHBondContact CA-OD2 3.21Å; G386-D392 PolarHBondContact N-OD2 2.77Å; D388-D392 VanDerWaalsContact O-CG 3.28Å; D388-D392 PolarHBondContact O-N 2.79Å; T390-D392 VanDerWaalsContact C-N 3.3Å; T390-D392 PolarHBondContact O-N 2.99Å; D392-W394 VanDerWaalsContact C-N 3.34Å; D392-W394 PolarHBondContact O-N 3.43Å; D392-N395 PolarHBondContact O-N 3.47Å; D392-E396 WeakPolarHBondContact O-CG 3.44Å; D392-E396 PolarHBondContact O-N 3.18Å
393	K	93.5	Very high	92.6	Very high	135 Å²	135	70.2 Å²	70.2	59%	0.587	37%	0.373	S	S	*	.	H	α-helix	trans	-62.4	-40.3	176.3	-71.8	171.9	-175	176.6	0	112.4	T389 T390 L391 E396 T397	T389-K393 WeakPolarHBondContact O-CG 3.42Å; T389-K393 PolarHBondContact O-N 3.32Å; T390-K393 PolarHBondContact O-N 2.88Å; L391-K393 PolarHBondContact O-N 3.25Å; K393-E396 PolarHBondContact O-N 2.99Å; K393-T397 WeakPolarHBondContact O-CB 3.36Å; K393-T397 PolarHBondContact O-N 2.8Å; K393-T397 PolarHBondContact O-OG1 3.42Å
394	W	92.6	Very high	92.3	Very high	93 Å²	93	72.1 Å²	72.1	35%	0.352	38%	0.383	S	S	.	.	H	α-helix	trans	-67	-41.7	175.9	-67.2	-34.7	0	0	0	111.6	T390 L391 D392 E396 T397 Y398 V479 A482 I483 A486	T390-W394 HydrophobicContact CG2-CD2 4.15Å; T390-W394 HydrophobicContact CG2-CE3 4.2Å; T390-W394 HydrophobicContact CG2-CH2 3.55Å; T390-W394 HydrophobicContact CG2-CZ2 3.5Å; T390-W394 VanDerWaalsContact CG2-CZ2 3.5Å; T390-W394 HydrophobicContact CG2-CZ3 3.89Å; T390-W394 PolarHBondContact O-N 2.81Å; L391-W394 PolarHBondContact O-N 2.69Å; D392-W394 VanDerWaalsContact C-N 3.34Å; D392-W394 PolarHBondContact O-N 3.43Å; W394-E396 VanDerWaalsContact C-N 3.35Å; W394-E396 PolarHBondContact O-N 3.47Å; W394-T397 WeakPolarHBondContact O-CB 3.38Å; W394-T397 PolarHBondContact O-N 3.22Å; W394-Y398 WeakPolarHBondContact O-CB 3.35Å; W394-Y398 PolarHBondContact O-N 3.47Å; W394-V479 HydrophobicContact CB-CG1 4.02Å; W394-V479 WeakPolarHBondContact O-CG1 2.88Å; W394-A482 HydrophobicContact CD2-CB 4.28Å; W394-A482 HydrophobicContact CE3-CB 4.3Å; W394-A482 HydrophobicContact CZ3-CB 4.48Å; W394-I483 HydrophobicContact CB-CD1 4.22Å; W394-I483 HydrophobicContact CB-CG1 3.68Å; W394-A486 HydrophobicContact CE3-CB 4.39Å; W394-A486 HydrophobicContact CZ3-CB 3.85Å
395	N	91.9	Very high	92	Very high	39 Å²	39	68.5 Å²	68.5	21%	0.209	37%	0.371	C	S	.	.	H	α-helix	trans	-61.8	-40.8	174.6	-83.6	-46.9	0	0	0	112.4	L391 D392 Y398 A399	L391-N395 WeakPolarHBondContact O-CB 3.12Å; L391-N395 PolarHBondContact O-N 2.95Å; L391-N395 PolarHBondContact O-ND2 2.97Å; D392-N395 PolarHBondContact O-N 3.47Å; N395-Y398 PolarHBondContact O-N 3.19Å; N395-A399 WeakPolarHBondContact O-CB 3.41Å; N395-A399 PolarHBondContact O-N 3.25Å
396	E	93	Very high	91.9	Very high	102 Å²	102	64.3 Å²	64.3	48%	0.477	37%	0.366	S	S	.	.	H	α-helix	trans	-63.5	-46.9	173.5	-75.1	175.8	-179.6	0	0	111.5	D392 K393 W394 Y398 A399 C400	D392-E396 WeakPolarHBondContact O-CG 3.44Å; D392-E396 PolarHBondContact O-N 3.18Å; K393-E396 PolarHBondContact O-N 2.99Å; W394-E396 VanDerWaalsContact C-N 3.35Å; W394-E396 PolarHBondContact O-N 3.47Å; E396-Y398 VanDerWaalsContact C-N 3.31Å; E396-Y398 PolarHBondContact O-N 2.74Å; E396-A399 PolarHBondContact O-N 3.3Å; E396-C400 PolarHBondContact O-N 3.4Å; E396-C400 VanDerWaalsContact O-N 3.11Å; E396-C400 PolarHBondContact O-SG 3.28Å
397	T	89.5	Confident	91.8	Very high	46 Å²	46	67.3 Å²	67.3	28%	0.282	37%	0.365	S	S	.	.	H	α-helix	trans	-58	-46	176.2	-57.2	0	0	0	0	110.9	K393 W394 A399 C400 L401 Y476 V479	K393-T397 WeakPolarHBondContact O-CB 3.36Å; K393-T397 PolarHBondContact O-N 2.8Å; K393-T397 PolarHBondContact O-OG1 3.42Å; W394-T397 WeakPolarHBondContact O-CB 3.38Å; W394-T397 PolarHBondContact O-N 3.22Å; T397-A399 PolarHBondContact O-N 3.45Å; T397-C400 PolarHBondContact O-N 2.87Å; T397-L401 WeakPolarHBondContact O-CG 3.4Å; T397-L401 PolarHBondContact O-N 3.48Å; T397-L401 VanDerWaalsContact O-N 3.1Å; T397-Y476 HydrophobicContact CG2-CD1 3.48Å; T397-Y476 VanDerWaalsContact CG2-CD1 3.48Å; T397-Y476 HydrophobicContact CG2-CE1 3.63Å; T397-V479 HydrophobicContact CG2-CG2 4.4Å
398	Y	88.9	Confident	91.6	Very high	108 Å²	108	66.8 Å²	66.8	42%	0.424	36%	0.361	S	S	.	.	H	α-helix	trans	-65	-38.5	178.8	-174.2	-96.6	0	0	0	112.6	W394 N395 E396 C400 L401 P402 M480 I483	W394-Y398 WeakPolarHBondContact O-CB 3.35Å; W394-Y398 PolarHBondContact O-N 3.47Å; N395-Y398 PolarHBondContact O-N 3.19Å; E396-Y398 VanDerWaalsContact C-N 3.31Å; E396-Y398 PolarHBondContact O-N 2.74Å; Y398-C400 VanDerWaalsContact C-N 3.28Å; Y398-C400 PolarHBondContact O-N 3.31Å; Y398-L401 HydrophobicContact CD2-CD1 4.05Å; Y398-L401 PolarHBondContact O-N 3.13Å; Y398-P402 WeakPolarHBondContact O-CD 3.43Å; Y398-M480 HydrophobicContact CD2-CB 4.31Å; Y398-M480 HydrophobicContact CE2-CB 3.83Å; Y398-M480 HydrophobicContact CE2-CG 4.07Å; Y398-I483 HydrophobicContact CD2-CD1 4.45Å; Y398-I483 HydrophobicContact CG-CD1 4.01Å
399	A	89.2	Confident	91.4	Very high	63 Å²	63	64.7 Å²	64.7	52%	0.521	35%	0.351	S	S	.	.	H	α-helix	trans	-64.4	-32.4	176.2	0	0	0	0	0	112.7	N395 E396 T397	N395-A399 WeakPolarHBondContact O-CB 3.41Å; N395-A399 PolarHBondContact O-N 3.25Å; E396-A399 PolarHBondContact O-N 3.3Å; T397-A399 PolarHBondContact O-N 3.45Å
400	C	89.9	Confident	91.2	Very high	81 Å²	81	66.9 Å²	66.9	55%	0.547	35%	0.354	S	S	.	.	H	α-helix	trans	-85.9	-13.8	177.6	-64.5	0	0	0	0	114.1	E396 T397 Y398 D403 L404	E396-C400 PolarHBondContact O-N 3.4Å; E396-C400 VanDerWaalsContact O-N 3.11Å; E396-C400 PolarHBondContact O-SG 3.28Å; T397-C400 PolarHBondContact O-N 2.87Å; Y398-C400 VanDerWaalsContact C-N 3.28Å; Y398-C400 PolarHBondContact O-N 3.31Å; C400-D403 PolarHBondContact O-N 2.99Å; C400-L404 PolarHBondContact O-N 3.29Å; C400-L404 VanDerWaalsContact O-N 3.16Å
401	L	88.4	Confident	91	Very high	10 Å²	10	68.6 Å²	68.6	5%	0.052	36%	0.361	C	S	.	.	H	α-helix	trans	-57.9	-45.5	-177.5	-86.8	171.7	0	0	0	113.3	T397 Y398 D403 L404 L405 Y433 Y476 V479	T397-L401 WeakPolarHBondContact O-CG 3.4Å; T397-L401 PolarHBondContact O-N 3.48Å; T397-L401 VanDerWaalsContact O-N 3.1Å; Y398-L401 HydrophobicContact CD2-CD1 4.05Å; Y398-L401 PolarHBondContact O-N 3.13Å; L401-D403 PolarHBondContact O-N 2.76Å; L401-L404 HydrophobicContact CD2-CD2 4.48Å; L401-L404 PolarHBondContact O-N 2.85Å; L401-L405 WeakPolarHBondContact O-CB 3.23Å; L401-L405 WeakPolarHBondContact O-CG 3.4Å; L401-L405 PolarHBondContact O-N 3.17Å; L401-Y433 WeakPolarHBondContact CD1-OH 3.42Å; L401-Y476 HydrophobicContact CD2-CD1 4.12Å; L401-Y476 HydrophobicContact CD2-CD2 4.27Å; L401-Y476 HydrophobicContact CD2-CG 3.95Å; L401-V479 HydrophobicContact CD1-CB 4.48Å; L401-V479 HydrophobicContact CD1-CG2 4.33Å
402	P	87.5	Confident	90.6	Very high	76 Å²	76	69.1 Å²	69.1	49%	0.494	36%	0.363	S	S	.	.	H	α-helix	trans	-55.8	-47.3	-179.4	-27.2	35.9	0	0	0	113.2	Y398 L405 S406	Y398-P402 WeakPolarHBondContact O-CD 3.43Å; P402-L405 PolarHBondContact O-N 2.59Å; P402-S406 PolarHBondContact O-N 2.73Å; P402-S406 PolarHBondContact O-OG 3.5Å
403	D	90.5	Very high	90.3	Very high	109 Å²	109	70.8 Å²	70.8	58%	0.583	37%	0.372	S	S	*	.	H	α-helix	trans	-65.6	-41.3	-180	-62.8	-26.8	0	0	0	111.4	C400 L401 S406 Q407	C400-D403 PolarHBondContact O-N 2.99Å; L401-D403 PolarHBondContact O-N 2.76Å; D403-S406 PolarHBondContact O-N 3.49Å; D403-Q407 WeakPolarHBondContact O-CG 3.17Å; D403-Q407 PolarHBondContact O-N 3.23Å
404	L	89.1	Confident	89.8	Confident	46 Å²	46	67.8 Å²	67.8	24%	0.241	38%	0.379	C	S	.	.	H	α-helix	trans	-62.4	-44.2	175.5	178.8	65.8	0	0	0	111.8	C400 L401 S406 Q407 L408 Y476	C400-L404 PolarHBondContact O-N 3.29Å; C400-L404 VanDerWaalsContact O-N 3.16Å; L401-L404 HydrophobicContact CD2-CD2 4.48Å; L401-L404 PolarHBondContact O-N 2.85Å; L404-S406 VanDerWaalsContact C-N 3.32Å; L404-S406 PolarHBondContact O-N 3.29Å; L404-Q407 PolarHBondContact O-N 3.31Å; L404-L408 HydrophobicContact CD1-CD1 4.08Å; L404-L408 HydrophobicContact CD1-CG 4.26Å; L404-L408 HydrophobicContact CG-CD1 3.99Å; L404-L408 WeakPolarHBondContact O-CB 3.32Å; L404-L408 VanDerWaalsContact O-CG 3.32Å; L404-L408 WeakPolarHBondContact O-CG 3.24Å; L404-L408 PolarHBondContact O-N 3.04Å; L404-Y476 HydrophobicContact CD2-CE1 4.42Å; L404-Y476 HydrophobicContact CD2-CE2 3.58Å; L404-Y476 WeakPolarHBondContact CD2-OH 3.29Å
405	L	91.4	Very high	89.3	Confident	23 Å²	23	70 Å²	70	12%	0.12	39%	0.391	C	S	.	.	H	α-helix	trans	-66.3	-35.5	178.7	-68.6	179.3	0	0	0	111.5	L401 P402 A409 L425 Y433 L472	L401-L405 WeakPolarHBondContact O-CB 3.23Å; L401-L405 WeakPolarHBondContact O-CG 3.4Å; L401-L405 PolarHBondContact O-N 3.17Å; P402-L405 PolarHBondContact O-N 2.59Å; L405-A409 VanDerWaalsContact O-CB 3.23Å; L405-A409 WeakPolarHBondContact O-CB 3.27Å; L405-A409 PolarHBondContact O-N 3.4Å; L405-L425 HydrophobicContact CB-CB 4.16Å; L405-L425 HydrophobicContact CD2-CB 3.91Å; L405-L425 HydrophobicContact CD2-CD1 4.33Å; L405-L425 HydrophobicContact CG-CB 4.5Å; L405-Y433 HydrophobicContact CD1-CD1 4.44Å; L405-Y433 HydrophobicContact CD1-CE1 4.13Å; L405-Y433 HydrophobicContact CD2-CD1 3.87Å; L405-Y433 HydrophobicContact CD2-CE1 3.95Å; L405-L472 HydrophobicContact CD2-CD1 3.7Å; L405-L472 HydrophobicContact CD2-CD2 4.29Å
406	S	91	Very high	88.8	Confident	72 Å²	72	69.4 Å²	69.4	50%	0.503	39%	0.388	S	S	.	.	H	α-helix	trans	-64.6	-47	173.5	-74.3	0	0	0	0	111.9	P402 D403 L404 A409 E410	P402-S406 PolarHBondContact O-N 2.73Å; P402-S406 PolarHBondContact O-OG 3.5Å; D403-S406 PolarHBondContact O-N 3.49Å; L404-S406 VanDerWaalsContact C-N 3.32Å; L404-S406 PolarHBondContact O-N 3.29Å; S406-A409 WeakPolarHBondContact O-CB 3.33Å; S406-A409 PolarHBondContact O-N 2.66Å; S406-E410 PolarHBondContact O-N 3.41Å; S406-E410 VanDerWaalsContact O-N 3.15Å
407	Q	91.8	Very high	87.8	Confident	120 Å²	120	70.5 Å²	70.5	56%	0.561	39%	0.388	S	S	*	.	H	α-helix	trans	-61.6	-47.1	177.1	-71.3	172.8	3.6	0	0	111.8	D403 L404 A409 E410 D411	D403-Q407 WeakPolarHBondContact O-CG 3.17Å; D403-Q407 PolarHBondContact O-N 3.23Å; L404-Q407 PolarHBondContact O-N 3.31Å; Q407-A409 VanDerWaalsContact C-N 3.27Å; Q407-A409 PolarHBondContact O-N 3.01Å; Q407-E410 WeakPolarHBondContact O-CB 3.31Å; Q407-E410 PolarHBondContact O-N 3.44Å; Q407-D411 PolarHBondContact O-N 3.3Å; Q407-D411 VanDerWaalsContact O-N 3.12Å
408	L	91.8	Very high	86.9	Confident	39 Å²	39	77.8 Å²	77.8	20%	0.204	42%	0.419	C	S	.	.	H	α-helix	trans	-66.3	-29.9	178.2	-70.1	174.9	0	0	0	112.4	L404 D411 E412 L425 T468 L472	L404-L408 HydrophobicContact CD1-CD1 4.08Å; L404-L408 HydrophobicContact CD1-CG 4.26Å; L404-L408 HydrophobicContact CG-CD1 3.99Å; L404-L408 WeakPolarHBondContact O-CB 3.32Å; L404-L408 VanDerWaalsContact O-CG 3.32Å; L404-L408 WeakPolarHBondContact O-CG 3.24Å; L404-L408 PolarHBondContact O-N 3.04Å; L408-D411 PolarHBondContact O-N 2.66Å; L408-E412 WeakPolarHBondContact O-CB 3.5Å; L408-E412 WeakPolarHBondContact O-CG 3.48Å; L408-E412 PolarHBondContact O-N 3.31Å; L408-L425 HydrophobicContact CB-CD1 3.44Å; L408-L425 VanDerWaalsContact CB-CD1 3.44Å; L408-T468 HydrophobicContact CB-CG2 4.41Å; L408-T468 HydrophobicContact CD1-CG2 4.36Å; L408-T468 HydrophobicContact CD2-CG2 4.39Å; L408-L472 HydrophobicContact CD1-CD1 4.07Å; L408-L472 HydrophobicContact CD1-CD2 3.73Å; L408-L472 HydrophobicContact CD1-CG 4.18Å
409	A	91.1	Very high	86.3	Confident	11 Å²	11	76.7 Å²	76.7	9%	0.091	42%	0.42	C	S	.	.	H	α-helix	trans	-66.2	-39.6	173.6	0	0	0	0	0	111.6	L405 S406 Q407 E412 L413 C423 L425	L405-A409 VanDerWaalsContact O-CB 3.23Å; L405-A409 WeakPolarHBondContact O-CB 3.27Å; L405-A409 PolarHBondContact O-N 3.4Å; S406-A409 WeakPolarHBondContact O-CB 3.33Å; S406-A409 PolarHBondContact O-N 2.66Å; Q407-A409 VanDerWaalsContact C-N 3.27Å; Q407-A409 PolarHBondContact O-N 3.01Å; A409-E412 PolarHBondContact O-N 2.87Å; A409-L413 WeakPolarHBondContact O-CB 3.32Å; A409-L413 PolarHBondContact O-N 3Å; A409-C423 PolarHBondContact O-SG 3.4Å; A409-L425 HydrophobicContact CB-CD1 4.48Å; A409-L425 HydrophobicContact CB-CG 4.36Å
410	E	90.3	Very high	86	Confident	144 Å²	144	74.1 Å²	74.1	67%	0.673	40%	0.398	S	S	*	.	H	α-helix	trans	-62.9	-43.6	174.1	-69.6	176.3	-172.4	0	0	111.7	S406 Q407 E412 L413 G414	S406-E410 PolarHBondContact O-N 3.41Å; S406-E410 VanDerWaalsContact O-N 3.15Å; Q407-E410 WeakPolarHBondContact O-CB 3.31Å; Q407-E410 PolarHBondContact O-N 3.44Å; E410-E412 VanDerWaalsContact C-N 3.33Å; E410-E412 PolarHBondContact O-N 2.88Å; E410-L413 WeakPolarHBondContact O-CB 3.48Å; E410-L413 PolarHBondContact O-N 2.9Å; E410-G414 PolarHBondContact O-N 3.44Å
411	D	89.2	Confident	85.6	Confident	98 Å²	98	80 Å²	80	52%	0.524	41%	0.408	S	S	.	.	H	α-helix	trans	-62.8	-39.3	175.8	-73.4	-18	0	0	0	112.3	Q407 L408 K415	Q407-D411 PolarHBondContact O-N 3.3Å; Q407-D411 VanDerWaalsContact O-N 3.12Å; L408-D411 PolarHBondContact O-N 2.66Å; D411-K415 WeakPolarHBondContact O-CG 3.4Å
412	E	87.6	Confident	85.5	Confident	13 Å²	13	82.9 Å²	82.9	6%	0.061	43%	0.426	C	S	.	.	H	α-helix	trans	-69.1	-39	175.3	-74.3	-52.4	125.8	0	0	111.9	L408 A409 E410 G414 K415 L416 L435 N466 T468	L408-E412 WeakPolarHBondContact O-CB 3.5Å; L408-E412 WeakPolarHBondContact O-CG 3.48Å; L408-E412 PolarHBondContact O-N 3.31Å; A409-E412 PolarHBondContact O-N 2.87Å; E410-E412 VanDerWaalsContact C-N 3.33Å; E410-E412 PolarHBondContact O-N 2.88Å; E412-G414 PolarHBondContact O-N 3Å; E412-K415 WeakPolarHBondContact O-CB 3.3Å; E412-K415 PolarHBondContact O-N 3.11Å; E412-K415 IonicContact OE1-NZ 2.79Å; E412-K415 PolarHBondContact OE1-NZ 3.38Å; E412-L416 WeakPolarHBondContact O-CG 3.43Å; E412-L416 PolarHBondContact O-N 2.78Å; E412-L435 HydrophobicContact CB-CD1 4.11Å; E412-L435 HydrophobicContact CG-CD1 4.45Å; E412-N466 VanDerWaalsContact CD-ND2 3.3Å; E412-N466 PolarHBondContact OE2-ND2 2.65Å; E412-T468 HydrophobicContact CG-CG2 4.25Å; E412-T468 WeakPolarHBondContact OE1-CB 3.3Å; E412-T468 PolarHBondContact OE1-OG1 3.29Å
413	L	87.8	Confident	85.6	Confident	58 Å²	58	80.6 Å²	80.6	30%	0.304	41%	0.412	S	S	.	.	H	α-helix	trans	-56.5	-40.1	177.1	-172	62.5	0	0	0	111.6	A409 E410 K415 L416 I420 C423	A409-L413 WeakPolarHBondContact O-CB 3.32Å; A409-L413 PolarHBondContact O-N 3Å; E410-L413 WeakPolarHBondContact O-CB 3.48Å; E410-L413 PolarHBondContact O-N 2.9Å; L413-K415 PolarHBondContact O-N 2.99Å; L413-L416 PolarHBondContact O-N 3.48Å; L413-I420 HydrophobicContact CD1-CG2 4.09Å; L413-C423 HydrophobicContact CD1-CB 4.35Å
414	G	83.1	Confident	85.7	Confident	72 Å²	72	75.9 Å²	75.9	74%	0.742	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-17.9	176.5	0	0	0	0	0	115.2	E410 E412	E410-G414 PolarHBondContact O-N 3.44Å; E412-G414 PolarHBondContact O-N 3Å
415	K	83.3	Confident	85.8	Confident	139 Å²	139	74.5 Å²	74.5	60%	0.604	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-17	177.3	-60.6	170.7	-163.6	166.9	0	112.7	D411 E412 L413	D411-K415 WeakPolarHBondContact O-CG 3.4Å; E412-K415 WeakPolarHBondContact O-CB 3.3Å; E412-K415 PolarHBondContact O-N 3.11Å; E412-K415 IonicContact OE1-NZ 2.79Å; E412-K415 PolarHBondContact OE1-NZ 3.38Å; L413-K415 PolarHBondContact O-N 2.99Å
416	L	81.4	Confident	85.8	Confident	27 Å²	27	75.8 Å²	75.8	14%	0.141	39%	0.389	C	S	.	.	S	Bend	trans	-77.3	163.6	179.7	-65	171.8	0	0	0	110.8	E412 L413 I420 C423 L435 I437 L452	E412-L416 WeakPolarHBondContact O-CG 3.43Å; E412-L416 PolarHBondContact O-N 2.78Å; L413-L416 PolarHBondContact O-N 3.48Å; L416-I420 HydrophobicContact CB-CB 4.21Å; L416-I420 HydrophobicContact CB-CD1 3.96Å; L416-I420 HydrophobicContact CB-CG2 4.44Å; L416-I420 HydrophobicContact CD1-CB 4.49Å; L416-I420 HydrophobicContact CD1-CD1 4.28Å; L416-I420 HydrophobicContact CD1-CG2 3.85Å; L416-I420 HydrophobicContact CD2-CD1 4.23Å; L416-I420 HydrophobicContact CG-CD1 4.37Å; L416-C423 HydrophobicContact CD1-CB 3.96Å; L416-L435 HydrophobicContact CD1-CD2 4.2Å; L416-L435 HydrophobicContact CD2-CD2 4.33Å; L416-I437 HydrophobicContact CD1-CD1 4.13Å; L416-L452 HydrophobicContact CD2-CD1 3.53Å
417	R	72.2	Confident	85.6	Confident	125 Å²	125	74.9 Å²	74.9	47%	0.472	37%	0.374	S	S	.	.			trans	-64.8	151.9	177.3	-67.7	-175.2	-175.9	175.4	5.1	110.5	N419 I420 L449	R417-N419 WeakPolarHBondContact CB-OD1 3.42Å; R417-N419 PolarHBondContact O-N 3.5Å; R417-I420 PolarHBondContact O-N 3.45Å; R417-L449 HydrophobicContact CG-CD2 4.09Å
418	E	69.5	Low	85.2	Confident	199 Å²	199	71 Å²	71	93%	0.93	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-17.5	-176.8	-65.7	-175.8	167.6	0	0	115.2
419	N	77.3	Confident	84.4	Confident	85 Å²	85	70.6 Å²	70.6	46%	0.455	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-16	177	61	-36.4	0	0	0	113.8	R417	R417-N419 WeakPolarHBondContact CB-OD1 3.42Å; R417-N419 PolarHBondContact O-N 3.5Å
420	I	81.2	Confident	83.8	Confident	10 Å²	10	76.9 Å²	76.9	5%	0.051	39%	0.387	C	S	.	.			trans	-92	115.8	175.8	-62.2	162.4	0	0	0	108.2	L413 L416 R417 I437 E441 L449	L413-I420 HydrophobicContact CD1-CG2 4.09Å; L416-I420 HydrophobicContact CB-CB 4.21Å; L416-I420 HydrophobicContact CB-CD1 3.96Å; L416-I420 HydrophobicContact CB-CG2 4.44Å; L416-I420 HydrophobicContact CD1-CB 4.49Å; L416-I420 HydrophobicContact CD1-CD1 4.28Å; L416-I420 HydrophobicContact CD1-CG2 3.85Å; L416-I420 HydrophobicContact CD2-CD1 4.23Å; L416-I420 HydrophobicContact CG-CD1 4.37Å; R417-I420 PolarHBondContact O-N 3.45Å; I420-I437 HydrophobicContact CD1-CD1 4.16Å; I420-I437 HydrophobicContact CG1-CG2 4.32Å; I420-I437 HydrophobicContact CG2-CG2 3.84Å; I420-E441 WeakPolarHBondContact CA-OE2 3.21Å; I420-L449 HydrophobicContact CD1-CD2 4.43Å
421	R	82.7	Confident	83.6	Confident	203 Å²	203	71.6 Å²	71.6	77%	0.766	36%	0.364	S	S	*	.			trans	-101	-22.7	-176.8	-63.3	-177.9	-179.8	-179.7	0.7	112.3	E441	R421-E441 PolarHBondContact N-OE2 2.91Å
422	T	86.7	Confident	83.5	Confident	71 Å²	71	67.3 Å²	67.3	44%	0.436	34%	0.343	S	S	.	.			trans	-140.2	136.1	-179.1	58.6	0	0	0	0	111.1	P438 E441	T422-P438 VanDerWaalsContact O-CD 3.25Å; T422-P438 WeakPolarHBondContact O-CD 3.42Å; T422-P438 VanDerWaalsContact OG1-CG 3.23Å; T422-P438 WeakPolarHBondContact OG1-CG 3.49Å; T422-E441 PolarHBondContact N-OE2 3.27Å; T422-E441 VanDerWaalsContact N-OE2 3.17Å; T422-E441 PolarHBondContact OG1-OE1 3.11Å
423	C	89.3	Confident	83.7	Confident	28 Å²	28	67 Å²	67	19%	0.189	34%	0.341	C	S	.	.			trans	-142	165.4	168.9	76.3	0	0	0	0	109.4	A409 L413 L416 L435 K436 I437	A409-C423 PolarHBondContact O-SG 3.4Å; L413-C423 HydrophobicContact CD1-CB 4.35Å; L416-C423 HydrophobicContact CD1-CB 3.96Å; C423-L435 HydrophobicContact CB-CD1 4.1Å; C423-K436 CarbonylContact C-O 3.52Å; C423-K436 VanDerWaalsContact CA-O 3.32Å; C423-K436 WeakPolarHBondContact CA-O 3.4Å; C423-I437 HydrophobicContact CB-CG1 4.19Å
424	G	91.8	Very high	84	Confident	10 Å²	10	64.2 Å²	64.2	10%	0.103	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	160.9	171.7	0	0	0	0	0	110.9	L435 K436	G424-L435 CarbonylContact O-C 3.5Å; G424-L435 WeakPolarHBondContact O-CA 3.44Å; G424-K436 PolarHBondContact N-O 3.15Å; G424-K436 WeakPolarHBondContact O-CG 3.47Å; G424-K436 PolarHBondContact O-N 3.26Å
425	L	92.1	Very high	84.4	Confident	18 Å²	18	60.8 Å²	60.8	9%	0.094	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	136.9	170.1	-69.6	165.2	0	0	0	109.5	L405 L408 A409 L434 L435 T469 L472	L405-L425 HydrophobicContact CB-CB 4.16Å; L405-L425 HydrophobicContact CD2-CB 3.91Å; L405-L425 HydrophobicContact CD2-CD1 4.33Å; L405-L425 HydrophobicContact CG-CB 4.5Å; L408-L425 HydrophobicContact CB-CD1 3.44Å; L408-L425 VanDerWaalsContact CB-CD1 3.44Å; A409-L425 HydrophobicContact CB-CD1 4.48Å; A409-L425 HydrophobicContact CB-CG 4.36Å; L425-L434 WeakPolarHBondContact CA-O 3.13Å; L425-L435 HydrophobicContact CD2-CB 4.32Å; L425-L435 HydrophobicContact CD2-CD1 3.91Å; L425-L435 HydrophobicContact CG-CD1 4.34Å; L425-T469 HydrophobicContact CD2-CG2 3.72Å; L425-L472 HydrophobicContact CD1-CD1 4.03Å; L425-L472 HydrophobicContact CD2-CD1 4.49Å
426	I	90.5	Very high	84.9	Confident	50 Å²	50	57.8 Å²	57.8	26%	0.256	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	146.2	-178.8	-174.1	162.5	0	0	0	110.2	F428 Y433 L434 K436 Y463	I426-F428 HydrophobicContact CD1-CE2 4.12Å; I426-F428 HydrophobicContact CD1-CZ 4.33Å; I426-F428 HydrophobicContact CG1-CD2 4.47Å; I426-F428 HydrophobicContact CG1-CE2 4.21Å; I426-F428 HydrophobicContact CG2-CD2 4.08Å; I426-F428 HydrophobicContact CG2-CE2 3.72Å; I426-Y433 CarbonylContact O-C 3.55Å; I426-Y433 WeakPolarHBondContact O-CA 3.24Å; I426-L434 HydrophobicContact CG2-CB 4.32Å; I426-L434 PolarHBondContact N-O 3.49Å; I426-L434 PolarHBondContact O-N 3.22Å; I426-K436 HydrophobicContact CG2-CB 4.28Å; I426-K436 HydrophobicContact CG2-CD 4.38Å; I426-Y463 HydrophobicContact CG2-CD1 4.11Å; I426-Y463 HydrophobicContact CG2-CE1 3.97Å
427	Y	86.6	Confident	85.3	Confident	52 Å²	52	56.5 Å²	56.5	20%	0.204	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	130.7	172.9	176.5	-97.1	0	0	0	110.7	P429 Y433 D478	Y427-P429 HydrophobicContact CE1-CB 4.47Å; Y427-P429 HydrophobicContact CE1-CG 4.12Å; Y427-Y433 HydrophobicContact CD2-CD1 4.19Å; Y427-Y433 AromaticContact CD2-CD2 3.99Å; Y427-Y433 HydrophobicContact CD2-CD2 3.99Å; Y427-Y433 HydrophobicContact CD2-CE1 4.04Å; Y427-Y433 AromaticContact CD2-CE2 3.81Å; Y427-Y433 HydrophobicContact CD2-CE2 3.81Å; Y427-Y433 HydrophobicContact CD2-CG 4.16Å; Y427-Y433 AromaticContact CD2-CZ 3.82Å; Y427-Y433 HydrophobicContact CE2-CE2 4.38Å; Y427-Y433 HydrophobicContact CG-CE1 4.29Å; Y427-D478 PolarHBondContact OH-OD1 3.34Å; Y427-D478 PolarHBondContact OH-OD2 2.91Å
428	F	83.5	Confident	86.1	Confident	40 Å²	40	51.5 Å²	51.5	18%	0.175	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	127.1	169.6	-82.6	-85.8	0	0	0	110.4	I426 L430 V431 G432 L434 F456 Y463	I426-F428 HydrophobicContact CD1-CE2 4.12Å; I426-F428 HydrophobicContact CD1-CZ 4.33Å; I426-F428 HydrophobicContact CG1-CD2 4.47Å; I426-F428 HydrophobicContact CG1-CE2 4.21Å; I426-F428 HydrophobicContact CG2-CD2 4.08Å; I426-F428 HydrophobicContact CG2-CE2 3.72Å; F428-L430 PolarHBondContact O-N 3.5Å; F428-V431 HydrophobicContact CB-CB 3.88Å; F428-V431 HydrophobicContact CB-CG2 4.28Å; F428-V431 PolarHBondContact O-N 3.47Å; F428-V431 VanDerWaalsContact O-N 3.11Å; F428-G432 PolarHBondContact N-O 3.14Å; F428-G432 PolarHBondContact O-N 3.4Å; F428-L434 HydrophobicContact CD2-CD1 3.66Å; F428-L434 HydrophobicContact CD2-CG 4.49Å; F428-L434 HydrophobicContact CE2-CD1 4.24Å; F428-L434 HydrophobicContact CG-CD1 4.43Å; F428-F456 HydrophobicContact CD1-CZ 4.33Å; F428-F456 HydrophobicContact CD2-CZ 4.09Å; F428-F456 HydrophobicContact CE1-CZ 4.11Å; F428-F456 AromaticContact CE2-CZ 3.84Å; F428-F456 HydrophobicContact CE2-CZ 3.84Å; F428-F456 HydrophobicContact CG-CZ 4.31Å; F428-F456 HydrophobicContact CZ-CE2 4.34Å; F428-F456 AromaticContact CZ-CZ 3.86Å; F428-F456 HydrophobicContact CZ-CZ 3.86Å; F428-Y463 AromaticContact CE2-CD1 3.76Å; F428-Y463 HydrophobicContact CE2-CD1 3.76Å; F428-Y463 AromaticContact CE2-CE1 3.47Å; F428-Y463 HydrophobicContact CE2-CE1 3.47Å; F428-Y463 VanDerWaalsContact CE2-CE1 3.47Å; F428-Y463 HydrophobicContact CE2-CG 4.5Å; F428-Y463 HydrophobicContact CZ-CD1 4.46Å; F428-Y463 AromaticContact CZ-CE1 3.84Å; F428-Y463 HydrophobicContact CZ-CE1 3.84Å; F428-Y463 AromaticContact CZ-CZ 3.89Å
429	P	76	Confident	86.9	Confident	30 Å²	30	45.6 Å²	45.6	20%	0.195	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	140.9	175.7	-25.1	33.6	0	0	0	112.4	M10 Y427 V431 Y481	M10-P429 HydrophobicContact CE-CB 3.6Å; M10-P429 HydrophobicContact CE-CG 3.62Å; Y427-P429 HydrophobicContact CE1-CB 4.47Å; Y427-P429 HydrophobicContact CE1-CG 4.12Å; P429-V431 PolarHBondContact O-N 3.23Å; P429-Y481 HydrophobicContact CB-CE2 3.75Å; P429-Y481 WeakPolarHBondContact CB-OH 3.42Å; P429-Y481 HydrophobicContact CG-CE2 4.07Å
430	L	77	Confident	87.2	Confident	143 Å²	143	48.3 Å²	48.3	75%	0.749	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.5	-10.9	-175.8	-52.6	172.2	0	0	0	115.9	F428	F428-L430 PolarHBondContact O-N 3.5Å
431	V	86.2	Confident	87.2	Confident	33 Å²	33	49.7 Å²	49.7	20%	0.2	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-37.5	178.2	-175.7	0	0	0	0	111.5	M3 F428 P429 L434 R465	M3-V431 HydrophobicContact SD-CG2 4.38Å; F428-V431 HydrophobicContact CB-CB 3.88Å; F428-V431 HydrophobicContact CB-CG2 4.28Å; F428-V431 PolarHBondContact O-N 3.47Å; F428-V431 VanDerWaalsContact O-N 3.11Å; P429-V431 PolarHBondContact O-N 3.23Å; V431-L434 HydrophobicContact CG1-CD1 3.86Å; V431-L434 HydrophobicContact CG1-CD2 4.26Å; V431-L434 HydrophobicContact CG1-CG 4.33Å; V431-R465 PolarHBondContact O-NH2 3.49Å
432	G	88.2	Confident	86.9	Confident	7 Å²	7	40.7 Å²	40.7	7%	0.072	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	102.1	-166.6	-176.5	0	0	0	0	0	113.5	F428 D473	F428-G432 PolarHBondContact N-O 3.14Å; F428-G432 PolarHBondContact O-N 3.4Å; G432-D473 WeakPolarHBondContact CA-OD1 3.35Å
433	Y	92.3	Very high	85.8	Confident	6 Å²	6	45.9 Å²	45.9	2%	0.024	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	141.2	173.9	-65.8	-87.7	0	0	0	110.7	L401 L405 I426 Y427 T469 L472 D473 G477	L401-Y433 WeakPolarHBondContact CD1-OH 3.42Å; L405-Y433 HydrophobicContact CD1-CD1 4.44Å; L405-Y433 HydrophobicContact CD1-CE1 4.13Å; L405-Y433 HydrophobicContact CD2-CD1 3.87Å; L405-Y433 HydrophobicContact CD2-CE1 3.95Å; I426-Y433 CarbonylContact O-C 3.55Å; I426-Y433 WeakPolarHBondContact O-CA 3.24Å; Y427-Y433 HydrophobicContact CD2-CD1 4.19Å; Y427-Y433 AromaticContact CD2-CD2 3.99Å; Y427-Y433 HydrophobicContact CD2-CD2 3.99Å; Y427-Y433 HydrophobicContact CD2-CE1 4.04Å; Y427-Y433 AromaticContact CD2-CE2 3.81Å; Y427-Y433 HydrophobicContact CD2-CE2 3.81Å; Y427-Y433 HydrophobicContact CD2-CG 4.16Å; Y427-Y433 AromaticContact CD2-CZ 3.82Å; Y427-Y433 HydrophobicContact CE2-CE2 4.38Å; Y427-Y433 HydrophobicContact CG-CE1 4.29Å; Y433-T469 WeakPolarHBondContact O-CB 3.37Å; Y433-L472 HydrophobicContact CD1-CB 4.36Å; Y433-L472 HydrophobicContact CD1-CD1 4.37Å; Y433-L472 HydrophobicContact CD2-CB 3.64Å; Y433-L472 HydrophobicContact CE2-CB 4.24Å; Y433-L472 HydrophobicContact CG-CB 3.73Å; Y433-L472 HydrophobicContact CG-CD1 4.33Å; Y433-D473 VanDerWaalsContact CD2-OD1 3.29Å; Y433-D473 WeakPolarHBondContact CD2-OD1 2.95Å; Y433-D473 PolarHBondContact N-OD1 3.24Å; Y433-G477 WeakPolarHBondContact CE2-O 3.44Å; Y433-G477 PolarHBondContact OH-O 2.79Å
434	L	92.8	Very high	84.5	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	147.7	-180	-62.8	174.5	0	0	0	110.2	L425 I426 F428 V431 A455 F456 Y463 Y464 R465	L425-L434 WeakPolarHBondContact CA-O 3.13Å; I426-L434 HydrophobicContact CG2-CB 4.32Å; I426-L434 PolarHBondContact N-O 3.49Å; I426-L434 PolarHBondContact O-N 3.22Å; F428-L434 HydrophobicContact CD2-CD1 3.66Å; F428-L434 HydrophobicContact CD2-CG 4.49Å; F428-L434 HydrophobicContact CE2-CD1 4.24Å; F428-L434 HydrophobicContact CG-CD1 4.43Å; V431-L434 HydrophobicContact CG1-CD1 3.86Å; V431-L434 HydrophobicContact CG1-CD2 4.26Å; V431-L434 HydrophobicContact CG1-CG 4.33Å; L434-A455 HydrophobicContact CD1-CB 4.45Å; L434-A455 HydrophobicContact CD2-CB 3.97Å; L434-F456 HydrophobicContact CD1-CD1 4.35Å; L434-F456 HydrophobicContact CD1-CE1 3.47Å; L434-F456 VanDerWaalsContact CD1-CE1 3.47Å; L434-F456 HydrophobicContact CD1-CZ 4.06Å; L434-Y463 HydrophobicContact CB-CD1 4.44Å; L434-Y463 HydrophobicContact CD1-CD1 4.41Å; L434-Y463 HydrophobicContact CD1-CG 4.41Å; L434-Y464 WeakPolarHBondContact CA-O 3.16Å; L434-R465 HydrophobicContact CD2-CG 3.58Å
435	L	92.4	Very high	82.9	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	124.2	165.2	-171.9	75	0	0	0	108.3	E412 L416 C423 G424 L425 I437 L452 Y463 Y464 T469	E412-L435 HydrophobicContact CB-CD1 4.11Å; E412-L435 HydrophobicContact CG-CD1 4.45Å; L416-L435 HydrophobicContact CD1-CD2 4.2Å; L416-L435 HydrophobicContact CD2-CD2 4.33Å; C423-L435 HydrophobicContact CB-CD1 4.1Å; G424-L435 CarbonylContact O-C 3.5Å; G424-L435 WeakPolarHBondContact O-CA 3.44Å; L425-L435 HydrophobicContact CD2-CB 4.32Å; L425-L435 HydrophobicContact CD2-CD1 3.91Å; L425-L435 HydrophobicContact CG-CD1 4.34Å; L435-I437 HydrophobicContact CD2-CD1 3.88Å; L435-I437 HydrophobicContact CD2-CG1 4.22Å; L435-I437 HydrophobicContact CG-CD1 4.45Å; L435-I437 HydrophobicContact CG-CG1 4.27Å; L435-L452 HydrophobicContact CD2-CD2 3.61Å; L435-Y463 CarbonylContact O-C 3.46Å; L435-Y463 VanDerWaalsContact O-CA 3.31Å; L435-Y463 WeakPolarHBondContact O-CA 3.41Å; L435-Y464 PolarHBondContact N-O 3.05Å; L435-Y464 PolarHBondContact O-N 2.84Å; L435-T469 HydrophobicContact CB-CG2 4.43Å
436	K	92.3	Very high	81	Confident	76 Å²	76	55.3 Å²	55.3	33%	0.33	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	134	173	74.5	-179.8	-177.9	176.7	0	110.1	C423 G424 I426 A462 Y463	C423-K436 CarbonylContact C-O 3.52Å; C423-K436 VanDerWaalsContact CA-O 3.32Å; C423-K436 WeakPolarHBondContact CA-O 3.4Å; G424-K436 PolarHBondContact N-O 3.15Å; G424-K436 WeakPolarHBondContact O-CG 3.47Å; G424-K436 PolarHBondContact O-N 3.26Å; I426-K436 HydrophobicContact CG2-CB 4.28Å; I426-K436 HydrophobicContact CG2-CD 4.38Å; K436-A462 WeakPolarHBondContact CA-O 3.46Å; K436-Y463 HydrophobicContact CB-CD1 3.76Å; K436-Y463 HydrophobicContact CB-CE1 3.66Å
437	I	90.3	Very high	79.2	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	137.9	178.2	-56.9	171.7	0	0	0	107.8	L416 I420 C423 L435 K439 E441 V442 A462 Y464	L416-I437 HydrophobicContact CD1-CD1 4.13Å; I420-I437 HydrophobicContact CD1-CD1 4.16Å; I420-I437 HydrophobicContact CG1-CG2 4.32Å; I420-I437 HydrophobicContact CG2-CG2 3.84Å; C423-I437 HydrophobicContact CB-CG1 4.19Å; L435-I437 HydrophobicContact CD2-CD1 3.88Å; L435-I437 HydrophobicContact CD2-CG1 4.22Å; L435-I437 HydrophobicContact CG-CD1 4.45Å; L435-I437 HydrophobicContact CG-CG1 4.27Å; I437-K439 PolarHBondContact O-N 3.14Å; I437-E441 HydrophobicContact CG2-CB 4.39Å; I437-V442 HydrophobicContact CB-CG2 4.19Å; I437-V442 HydrophobicContact CG2-CG2 3.53Å; I437-A462 PolarHBondContact N-O 3.16Å; I437-A462 PolarHBondContact O-N 2.62Å; I437-Y464 HydrophobicContact CB-CE2 4.49Å; I437-Y464 HydrophobicContact CD1-CD2 3.99Å; I437-Y464 HydrophobicContact CD1-CE2 4.13Å; I437-Y464 HydrophobicContact CG1-CD2 4.44Å
438	P	89.3	Confident	77.7	Confident	21 Å²	21	61.9 Å²	61.9	14%	0.136	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	134.7	175	-22.1	32.5	0	0	0	111.7	T422 V440 E441 M461	T422-P438 VanDerWaalsContact O-CD 3.25Å; T422-P438 WeakPolarHBondContact O-CD 3.42Å; T422-P438 VanDerWaalsContact OG1-CG 3.23Å; T422-P438 WeakPolarHBondContact OG1-CG 3.49Å; P438-V440 PolarHBondContact O-N 3.22Å; P438-V440 VanDerWaalsContact O-N 3.15Å; P438-E441 HydrophobicContact CB-CG 4.25Å; P438-E441 PolarHBondContact O-N 2.95Å; P438-M461 HydrophobicContact CB-SD 4.35Å; P438-M461 HydrophobicContact CG-SD 4.23Å
439	K	85.8	Confident	76.7	Confident	75 Å²	75	60.6 Å²	60.6	33%	0.326	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-55.9	-34.5	178.2	-80.6	-173.7	167.1	-169.9	0	113.5	I437 E441 V442 T457 D458 E460 A462	I437-K439 PolarHBondContact O-N 3.14Å; K439-E441 PolarHBondContact O-N 3.44Å; K439-V442 CarbonylContact O-C 3.59Å; K439-V442 PolarHBondContact O-N 3.32Å; K439-T457 WeakPolarHBondContact CE-OG1 3.32Å; K439-T457 PolarHBondContact NZ-OG1 3.15Å; K439-D458 WeakPolarHBondContact CE-O 2.99Å; K439-D458 PolarHBondContact NZ-O 3.1Å; K439-E460 PolarHBondContact N-O 3.4Å; K439-A462 HydrophobicContact CG-CB 4.4Å
440	V	84.3	Confident	76.2	Confident	141 Å²	141	64.8 Å²	64.8	86%	0.855	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-63.1	-24.5	-178.5	-147.9	0	0	0	0	111.7	P438	P438-V440 PolarHBondContact O-N 3.22Å; P438-V440 VanDerWaalsContact O-N 3.15Å
441	E	82.2	Confident	76.2	Confident	39 Å²	39	61 Å²	61	18%	0.182	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-91	-5	179	-59.7	-176.7	-171.3	0	0	112.3	I420 R421 T422 I437 P438 K439	I420-E441 WeakPolarHBondContact CA-OE2 3.21Å; R421-E441 PolarHBondContact N-OE2 2.91Å; T422-E441 PolarHBondContact N-OE2 3.27Å; T422-E441 VanDerWaalsContact N-OE2 3.17Å; T422-E441 PolarHBondContact OG1-OE1 3.11Å; I437-E441 HydrophobicContact CG2-CB 4.39Å; P438-E441 HydrophobicContact CB-CG 4.25Å; P438-E441 PolarHBondContact O-N 2.95Å; K439-E441 PolarHBondContact O-N 3.44Å
442	V	76.1	Confident	76.1	Confident	15 Å²	15	60.7 Å²	60.7	9%	0.091	34%	0.341	C	S	.	.			trans	-127.1	93.8	-177.7	-165.2	0	0	0	0	110.3	I437 K439 T444 L449 Y464	I437-V442 HydrophobicContact CB-CG2 4.19Å; I437-V442 HydrophobicContact CG2-CG2 3.53Å; K439-V442 CarbonylContact O-C 3.59Å; K439-V442 PolarHBondContact O-N 3.32Å; V442-T444 VanDerWaalsContact C-N 3.27Å; V442-T444 PolarHBondContact O-N 2.95Å; V442-T444 VanDerWaalsContact O-N 3.16Å; V442-L449 HydrophobicContact CG1-CD1 4.3Å; V442-Y464 WeakPolarHBondContact CG1-OH 3.47Å
443	E	63.9	Low	76.1	Confident	179 Å²	179	65 Å²	65	84%	0.836	36%	0.359	S	S	*	.	S	Bend	trans	-56.7	-32.8	-171.6	-70	-175.6	159.6	0	0	114.3	I447	E443-I447 HydrophobicContact CB-CD1 4.49Å
444	T	61.9	Low	75.9	Confident	74 Å²	74	68.5 Å²	68.5	45%	0.454	38%	0.375	S	S	.	.			trans	-146.9	133	164.1	38.5	0	0	0	0	110.3	V442 D446 I447	V442-T444 VanDerWaalsContact C-N 3.27Å; V442-T444 PolarHBondContact O-N 2.95Å; V442-T444 VanDerWaalsContact O-N 3.16Å; T444-D446 PolarHBondContact O-N 3.3Å; T444-D446 VanDerWaalsContact O-N 3.09Å; T444-I447 WeakPolarHBondContact O-CG1 3.29Å; T444-I447 PolarHBondContact O-N 2.97Å; T444-I447 VanDerWaalsContact OG1-CD1 3.25Å; T444-I447 WeakPolarHBondContact OG1-CD1 3.03Å; T444-I447 WeakPolarHBondContact OG1-CG1 3.09Å
445	P	56.6	Low	75.6	Confident	46 Å²	46	69.5 Å²	69.5	30%	0.299	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-14.5	-177.1	22.6	-30.8	0	0	0	114.1	F454 T457	P445-F454 HydrophobicContact CB-CD2 3.76Å; P445-F454 HydrophobicContact CB-CE2 3.54Å; P445-F454 HydrophobicContact CB-CG 4.48Å; P445-F454 HydrophobicContact CB-CZ 4.1Å; P445-F454 HydrophobicContact CG-CE2 4.48Å; P445-T457 HydrophobicContact CB-CG2 4.25Å
446	D	52.4	Low	75.5	Confident	134 Å²	134	70 Å²	70	72%	0.717	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	3.1	179.7	-67.3	-32.1	0	0	0	114	T444 Q448	T444-D446 PolarHBondContact O-N 3.3Å; T444-D446 VanDerWaalsContact O-N 3.09Å; D446-Q448 PolarHBondContact O-N 3.18Å
447	I	53.8	Low	75.3	Confident	63 Å²	63	68 Å²	68	32%	0.323	38%	0.379	S	S	.	.	S	Bend	trans	-71.3	120.4	172.9	-59.5	169.2	0	0	0	107.5	E443 T444 L449	E443-I447 HydrophobicContact CB-CD1 4.49Å; T444-I447 WeakPolarHBondContact O-CG1 3.29Å; T444-I447 PolarHBondContact O-N 2.97Å; T444-I447 VanDerWaalsContact OG1-CD1 3.25Å; T444-I447 WeakPolarHBondContact OG1-CD1 3.03Å; T444-I447 WeakPolarHBondContact OG1-CG1 3.09Å; I447-L449 PolarHBondContact O-N 3.22Å
448	Q	55.2	Low	75.2	Confident	177 Å²	177	70.7 Å²	70.7	83%	0.827	39%	0.394	S	S	*	.			trans	-58.3	80.7	167.2	-78.6	168.8	-36.8	0	0	109.9	D446 S450	D446-Q448 PolarHBondContact O-N 3.18Å; Q448-S450 PolarHBondContact O-N 3.01Å
449	L	62	Low	75	Confident	13 Å²	13	77.3 Å²	77.3	7%	0.068	43%	0.428	C	S	.	.			trans	-67.1	116.6	159.6	-73.4	157.6	0	0	0	105.2	R417 I420 V442 I447 G451 L452	R417-L449 HydrophobicContact CG-CD2 4.09Å; I420-L449 HydrophobicContact CD1-CD2 4.43Å; V442-L449 HydrophobicContact CG1-CD1 4.3Å; I447-L449 PolarHBondContact O-N 3.22Å; L449-G451 PolarHBondContact O-N 2.57Å; L449-L452 HydrophobicContact CB-CB 4Å; L449-L452 HydrophobicContact CB-CD1 3.57Å; L449-L452 HydrophobicContact CB-CG 4.32Å; L449-L452 HydrophobicContact CD1-CD1 3.94Å; L449-L452 HydrophobicContact CG-CD1 4.3Å; L449-L452 PolarHBondContact O-N 3.43Å
450	S	66.3	Low	75.1	Confident	119 Å²	119	80.4 Å²	80.4	83%	0.832	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	112.8	-171.4	-49.9	0	0	0	0	110.7	Q448	Q448-S450 PolarHBondContact O-N 3.01Å
451	G	76.7	Confident	75.4	Confident	62 Å²	62	76 Å²	76	64%	0.639	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	92	1	179.9	0	0	0	0	0	116.4	L449	L449-G451 PolarHBondContact O-N 2.57Å
452	L	84.2	Confident	75.7	Confident	28 Å²	28	74.3 Å²	74.3	15%	0.147	41%	0.406	C	S	.	.			trans	-105.8	128.1	175.9	-74.6	163.4	0	0	0	111.4	L416 L435 L449 Y464 R465 N466	L416-L452 HydrophobicContact CD2-CD1 3.53Å; L435-L452 HydrophobicContact CD2-CD2 3.61Å; L449-L452 HydrophobicContact CB-CB 4Å; L449-L452 HydrophobicContact CB-CD1 3.57Å; L449-L452 HydrophobicContact CB-CG 4.32Å; L449-L452 HydrophobicContact CD1-CD1 3.94Å; L449-L452 HydrophobicContact CG-CD1 4.3Å; L449-L452 PolarHBondContact O-N 3.43Å; L452-Y464 HydrophobicContact CB-CD1 4.13Å; L452-Y464 HydrophobicContact CB-CG 4.47Å; L452-Y464 HydrophobicContact CD2-CG 4.15Å; L452-R465 WeakPolarHBondContact CA-O 3.29Å; L452-N466 HydrophobicContact CD2-CB 3.9Å
453	E	87.6	Confident	76.5	Confident	98 Å²	98	74.2 Å²	74.2	46%	0.458	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	117.9	174.7	-178.7	-177.4	-173.9	0	0	108.8	A455 Y464 R465 R470	E453-A455 PolarHBondContact O-N 3.16Å; E453-Y464 CarbonylContact O-C 3.47Å; E453-Y464 VanDerWaalsContact O-CA 3.27Å; E453-Y464 WeakPolarHBondContact O-CA 3.1Å; E453-R465 HydrophobicContact CB-CB 4.24Å; E453-R465 PolarHBondContact N-O 3.17Å; E453-R465 PolarHBondContact O-N 2.68Å; E453-R470 IonicContact OE2-CZ 3.49Å; E453-R470 IonicContact OE2-NH2 2.59Å; E453-R470 PolarHBondContact OE2-NH2 3.02Å
454	F	87.6	Confident	77.7	Confident	79 Å²	79	65.9 Å²	65.9	35%	0.346	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	129.8	-179.4	175.8	-106.8	0	0	0	111.9	P445 F456 T457 Y464	P445-F454 HydrophobicContact CB-CD2 3.76Å; P445-F454 HydrophobicContact CB-CE2 3.54Å; P445-F454 HydrophobicContact CB-CG 4.48Å; P445-F454 HydrophobicContact CB-CZ 4.1Å; P445-F454 HydrophobicContact CG-CE2 4.48Å; F454-F456 WeakPolarHBondContact CE2-O 3.41Å; F454-F456 VanDerWaalsContact CZ-C 3.42Å; F454-F456 VanDerWaalsContact CZ-CA 3.42Å; F454-T457 HydrophobicContact CE2-CG2 3.41Å; F454-T457 VanDerWaalsContact CE2-CG2 3.41Å; F454-T457 HydrophobicContact CZ-CG2 3.66Å; F454-Y464 HydrophobicContact CB-CD1 4.19Å; F454-Y464 HydrophobicContact CB-CE1 4.04Å; F454-Y464 HydrophobicContact CD2-CD1 4.29Å; F454-Y464 AromaticContact CD2-CE1 3.74Å; F454-Y464 HydrophobicContact CD2-CE1 3.74Å; F454-Y464 HydrophobicContact CG-CE1 4.4Å
455	A	87.5	Confident	79.1	Confident	21 Å²	21	66.3 Å²	66.3	17%	0.174	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-65.3	176	0	0	0	0	0	111.6	M3 L434 E453 Y463	M3-A455 VanDerWaalsContact CE-O 3.28Å; M3-A455 WeakPolarHBondContact CE-O 3.36Å; L434-A455 HydrophobicContact CD1-CB 4.45Å; L434-A455 HydrophobicContact CD2-CB 3.97Å; E453-A455 PolarHBondContact O-N 3.16Å; A455-Y463 WeakPolarHBondContact CB-O 2.99Å; A455-Y463 PolarHBondContact N-O 3.13Å
456	F	89.5	Confident	80.7	Confident	11 Å²	11	64.5 Å²	64.5	5%	0.048	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	177.6	177.4	63	-83.9	0	0	0	111	M3 I7 F428 L434 F454 Y463	M3-F456 HydrophobicContact CB-CB 4.46Å; M3-F456 HydrophobicContact CE-CB 4.41Å; M3-F456 HydrophobicContact CE-CD1 4.24Å; M3-F456 HydrophobicContact CG-CD1 4.48Å; M3-F456 HydrophobicContact SD-CB 4.15Å; M3-F456 HydrophobicContact SD-CD1 3.23Å; M3-F456 WeakPolarHBondContact SD-CD1 3.27Å; M3-F456 HydrophobicContact SD-CE1 3.81Å; M3-F456 HydrophobicContact SD-CG 3.95Å; I7-F456 HydrophobicContact CD1-CD2 4.06Å; I7-F456 HydrophobicContact CD1-CE2 3.51Å; I7-F456 HydrophobicContact CD1-CZ 3.82Å; F428-F456 HydrophobicContact CD1-CZ 4.33Å; F428-F456 HydrophobicContact CD2-CZ 4.09Å; F428-F456 HydrophobicContact CE1-CZ 4.11Å; F428-F456 AromaticContact CE2-CZ 3.84Å; F428-F456 HydrophobicContact CE2-CZ 3.84Å; F428-F456 HydrophobicContact CG-CZ 4.31Å; F428-F456 HydrophobicContact CZ-CE2 4.34Å; F428-F456 AromaticContact CZ-CZ 3.86Å; F428-F456 HydrophobicContact CZ-CZ 3.86Å; L434-F456 HydrophobicContact CD1-CD1 4.35Å; L434-F456 HydrophobicContact CD1-CE1 3.47Å; L434-F456 VanDerWaalsContact CD1-CE1 3.47Å; L434-F456 HydrophobicContact CD1-CZ 4.06Å; F454-F456 WeakPolarHBondContact CE2-O 3.41Å; F454-F456 VanDerWaalsContact CZ-C 3.42Å; F454-F456 VanDerWaalsContact CZ-CA 3.42Å; F456-Y463 AromaticContact CD2-CD2 3.56Å; F456-Y463 HydrophobicContact CD2-CD2 3.56Å; F456-Y463 HydrophobicContact CD2-CE2 4.06Å; F456-Y463 HydrophobicContact CD2-CG 4.37Å; F456-Y463 HydrophobicContact CE1-CD2 4.37Å; F456-Y463 HydrophobicContact CE1-CG 4.29Å; F456-Y463 AromaticContact CE2-CD2 3.27Å; F456-Y463 HydrophobicContact CE2-CD2 3.27Å; F456-Y463 AromaticContact CE2-CE2 3.5Å; F456-Y463 HydrophobicContact CE2-CE2 3.5Å; F456-Y463 AromaticContact CE2-CG 3.94Å; F456-Y463 HydrophobicContact CE2-CG 3.94Å; F456-Y463 HydrophobicContact CG-CD2 4.21Å; F456-Y463 HydrophobicContact CZ-CD1 4.47Å; F456-Y463 AromaticContact CZ-CD2 3.74Å; F456-Y463 HydrophobicContact CZ-CD2 3.74Å; F456-Y463 HydrophobicContact CZ-CE2 4.14Å; F456-Y463 AromaticContact CZ-CG 3.91Å; F456-Y463 HydrophobicContact CZ-CG 3.91Å; F456-Y463 PolarHBondContact N-O 2.8Å; F456-Y463 PolarHBondContact O-N 3.36Å
457	T	89	Confident	82.6	Confident	33 Å²	33	63.7 Å²	63.7	20%	0.202	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	151.4	169.6	70.6	0	0	0	0	111.6	K439 P445 F454 M461 A462	K439-T457 WeakPolarHBondContact CE-OG1 3.32Å; K439-T457 PolarHBondContact NZ-OG1 3.15Å; P445-T457 HydrophobicContact CB-CG2 4.25Å; F454-T457 HydrophobicContact CE2-CG2 3.41Å; F454-T457 VanDerWaalsContact CE2-CG2 3.41Å; F454-T457 HydrophobicContact CZ-CG2 3.66Å; T457-M461 WeakPolarHBondContact CA-O 3.38Å; T457-M461 WeakPolarHBondContact CB-O 3.04Å; T457-A462 HydrophobicContact CG2-CB 3.72Å
458	D	87.4	Confident	84.3	Confident	57 Å²	57	61.6 Å²	61.6	31%	0.305	33%	0.329	S	S	.	.			trans	-107.5	-157	167.2	67.4	28.4	0	0	0	110.7	K439 E460 M461 Y463	K439-D458 WeakPolarHBondContact CE-O 2.99Å; K439-D458 PolarHBondContact NZ-O 3.1Å; D458-E460 VanDerWaalsContact C-N 3.33Å; D458-E460 PolarHBondContact O-N 3.25Å; D458-E460 PolarHBondContact OD1-N 3.29Å; D458-M461 PolarHBondContact N-O 3.44Å; D458-M461 PolarHBondContact OD1-N 3.05Å; D458-Y463 HydrophobicContact CB-CE2 4.22Å; D458-Y463 VanDerWaalsContact OD2-CE2 3.31Å; D458-Y463 WeakPolarHBondContact OD2-CE2 3.42Å; D458-Y463 PolarHBondContact OD2-OH 2.91Å
459	N	84.3	Confident	86.1	Confident	159 Å²	159	53.2 Å²	53.2	85%	0.85	29%	0.289	S	S	*	.	S	Bend	trans	-68.7	-28.9	-178.6	-69.5	-16.2	0	0	0	113.8
460	E	89.1	Confident	87.6	Confident	141 Å²	141	57.3 Å²	57.3	66%	0.659	30%	0.304	S	S	*	.	S	Bend	trans	-122.6	-27.7	-168.7	-64.8	-178.4	-177.9	0	0	113	K439 D458	K439-E460 PolarHBondContact N-O 3.4Å; D458-E460 VanDerWaalsContact C-N 3.33Å; D458-E460 PolarHBondContact O-N 3.25Å; D458-E460 PolarHBondContact OD1-N 3.29Å
461	M	89.8	Confident	88.8	Confident	49 Å²	49	55.7 Å²	55.7	24%	0.241	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	148.2	-169.6	-60.8	-67.6	169.9	0	0	111.8	P438 T457 D458 Y463	P438-M461 HydrophobicContact CB-SD 4.35Å; P438-M461 HydrophobicContact CG-SD 4.23Å; T457-M461 WeakPolarHBondContact CA-O 3.38Å; T457-M461 WeakPolarHBondContact CB-O 3.04Å; D458-M461 PolarHBondContact N-O 3.44Å; D458-M461 PolarHBondContact OD1-N 3.05Å; M461-Y463 HydrophobicContact CB-CE1 4.43Å; M461-Y463 HydrophobicContact CB-CE2 3.97Å
462	A	89.6	Confident	89.5	Confident	2 Å²	2	52.9 Å²	52.9	2%	0.017	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	137	167.1	0	0	0	0	0	109.7	K436 I437 K439 T457 Y464	K436-A462 WeakPolarHBondContact CA-O 3.46Å; I437-A462 PolarHBondContact N-O 3.16Å; I437-A462 PolarHBondContact O-N 2.62Å; K439-A462 HydrophobicContact CG-CB 4.4Å; T457-A462 HydrophobicContact CG2-CB 3.72Å; A462-Y464 HydrophobicContact CB-CE2 3.53Å
463	Y	91.6	Very high	89.7	Confident	14 Å²	14	53.6 Å²	53.6	6%	0.055	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	134.2	-173.5	-58.9	-85.9	0	0	0	110.8	I426 F428 L434 L435 K436 A455 F456 D458 M461	I426-Y463 HydrophobicContact CG2-CD1 4.11Å; I426-Y463 HydrophobicContact CG2-CE1 3.97Å; F428-Y463 AromaticContact CE2-CD1 3.76Å; F428-Y463 HydrophobicContact CE2-CD1 3.76Å; F428-Y463 AromaticContact CE2-CE1 3.47Å; F428-Y463 HydrophobicContact CE2-CE1 3.47Å; F428-Y463 VanDerWaalsContact CE2-CE1 3.47Å; F428-Y463 HydrophobicContact CE2-CG 4.5Å; F428-Y463 HydrophobicContact CZ-CD1 4.46Å; F428-Y463 AromaticContact CZ-CE1 3.84Å; F428-Y463 HydrophobicContact CZ-CE1 3.84Å; F428-Y463 AromaticContact CZ-CZ 3.89Å; L434-Y463 HydrophobicContact CB-CD1 4.44Å; L434-Y463 HydrophobicContact CD1-CD1 4.41Å; L434-Y463 HydrophobicContact CD1-CG 4.41Å; L435-Y463 CarbonylContact O-C 3.46Å; L435-Y463 VanDerWaalsContact O-CA 3.31Å; L435-Y463 WeakPolarHBondContact O-CA 3.41Å; K436-Y463 HydrophobicContact CB-CD1 3.76Å; K436-Y463 HydrophobicContact CB-CE1 3.66Å; A455-Y463 WeakPolarHBondContact CB-O 2.99Å; A455-Y463 PolarHBondContact N-O 3.13Å; F456-Y463 AromaticContact CD2-CD2 3.56Å; F456-Y463 HydrophobicContact CD2-CD2 3.56Å; F456-Y463 HydrophobicContact CD2-CE2 4.06Å; F456-Y463 HydrophobicContact CD2-CG 4.37Å; F456-Y463 HydrophobicContact CE1-CD2 4.37Å; F456-Y463 HydrophobicContact CE1-CG 4.29Å; F456-Y463 AromaticContact CE2-CD2 3.27Å; F456-Y463 HydrophobicContact CE2-CD2 3.27Å; F456-Y463 AromaticContact CE2-CE2 3.5Å; F456-Y463 HydrophobicContact CE2-CE2 3.5Å; F456-Y463 AromaticContact CE2-CG 3.94Å; F456-Y463 HydrophobicContact CE2-CG 3.94Å; F456-Y463 HydrophobicContact CG-CD2 4.21Å; F456-Y463 HydrophobicContact CZ-CD1 4.47Å; F456-Y463 AromaticContact CZ-CD2 3.74Å; F456-Y463 HydrophobicContact CZ-CD2 3.74Å; F456-Y463 HydrophobicContact CZ-CE2 4.14Å; F456-Y463 AromaticContact CZ-CG 3.91Å; F456-Y463 HydrophobicContact CZ-CG 3.91Å; F456-Y463 PolarHBondContact N-O 2.8Å; F456-Y463 PolarHBondContact O-N 3.36Å; D458-Y463 HydrophobicContact CB-CE2 4.22Å; D458-Y463 VanDerWaalsContact OD2-CE2 3.31Å; D458-Y463 WeakPolarHBondContact OD2-CE2 3.42Å; D458-Y463 PolarHBondContact OD2-OH 2.91Å; M461-Y463 HydrophobicContact CB-CE1 4.43Å; M461-Y463 HydrophobicContact CB-CE2 3.97Å
464	Y	90.2	Very high	89.7	Confident	3 Å²	3	57 Å²	57	1%	0.012	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	154	-174.3	-59.8	-90.5	0	0	0	111.6	L434 L435 I437 V442 L452 E453 F454 A462	L434-Y464 WeakPolarHBondContact CA-O 3.16Å; L435-Y464 PolarHBondContact N-O 3.05Å; L435-Y464 PolarHBondContact O-N 2.84Å; I437-Y464 HydrophobicContact CB-CE2 4.49Å; I437-Y464 HydrophobicContact CD1-CD2 3.99Å; I437-Y464 HydrophobicContact CD1-CE2 4.13Å; I437-Y464 HydrophobicContact CG1-CD2 4.44Å; V442-Y464 WeakPolarHBondContact CG1-OH 3.47Å; L452-Y464 HydrophobicContact CB-CD1 4.13Å; L452-Y464 HydrophobicContact CB-CG 4.47Å; L452-Y464 HydrophobicContact CD2-CG 4.15Å; E453-Y464 CarbonylContact O-C 3.47Å; E453-Y464 VanDerWaalsContact O-CA 3.27Å; E453-Y464 WeakPolarHBondContact O-CA 3.1Å; F454-Y464 HydrophobicContact CB-CD1 4.19Å; F454-Y464 HydrophobicContact CB-CE1 4.04Å; F454-Y464 HydrophobicContact CD2-CD1 4.29Å; F454-Y464 AromaticContact CD2-CE1 3.74Å; F454-Y464 HydrophobicContact CD2-CE1 3.74Å; F454-Y464 HydrophobicContact CG-CE1 4.4Å; A462-Y464 HydrophobicContact CB-CE2 3.53Å
465	R	91.2	Very high	89.5	Confident	84 Å²	84	62 Å²	62	32%	0.317	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	138.4	163.6	-71.8	-178.3	171.7	173.3	-3.3	109.5	V431 L434 L452 E453 T469	V431-R465 PolarHBondContact O-NH2 3.49Å; L434-R465 HydrophobicContact CD2-CG 3.58Å; L452-R465 WeakPolarHBondContact CA-O 3.29Å; E453-R465 HydrophobicContact CB-CB 4.24Å; E453-R465 PolarHBondContact N-O 3.17Å; E453-R465 PolarHBondContact O-N 2.68Å; R465-T469 WeakPolarHBondContact CA-OG1 3.32Å
466	N	90.1	Very high	89.3	Confident	7 Å²	7	63.6 Å²	63.6	4%	0.037	29%	0.294	C	S	.	.			trans	-132.9	-173.8	168.6	63	6.4	0	0	0	109.1	E412 L452 T468 T469 R470	E412-N466 VanDerWaalsContact CD-ND2 3.3Å; E412-N466 PolarHBondContact OE2-ND2 2.65Å; L452-N466 HydrophobicContact CD2-CB 3.9Å; N466-T468 VanDerWaalsContact C-N 3.31Å; N466-T468 PolarHBondContact O-N 3.32Å; N466-T468 PolarHBondContact OD1-N 3.49Å; N466-T469 PolarHBondContact N-OG1 3.27Å; N466-T469 PolarHBondContact O-N 3.19Å; N466-T469 PolarHBondContact O-OG1 3.03Å; N466-T469 VanDerWaalsContact OD1-CG2 3.29Å; N466-T469 WeakPolarHBondContact OD1-CG2 3.43Å; N466-T469 PolarHBondContact OD1-N 3.08Å; N466-T469 PolarHBondContact OD1-OG1 2.8Å; N466-R470 WeakPolarHBondContact O-CG 2.85Å; N466-R470 PolarHBondContact O-N 2.62Å
467	E	91.3	Very high	88.8	Confident	117 Å²	117	64 Å²	64	55%	0.547	30%	0.301	S	S	.	.	H	α-helix	trans	-61.8	-41.5	177.7	-168.3	57.9	-160.8	0	0	112.1	T469 R470 I471	E467-T469 PolarHBondContact O-N 2.9Å; E467-R470 PolarHBondContact O-N 3.39Å; E467-R470 VanDerWaalsContact O-N 3.16Å; E467-R470 IonicContact OE2-NH1 2.72Å; E467-I471 HydrophobicContact CG-CD1 4.16Å; E467-I471 WeakPolarHBondContact O-CG1 3.22Å; E467-I471 PolarHBondContact O-N 2.89Å
468	T	91.3	Very high	88.6	Confident	20 Å²	20	65 Å²	65	12%	0.123	31%	0.305	C	S	.	.	H	α-helix	trans	-61.7	-43.4	179.5	-57.8	0	0	0	0	112.2	L408 E412 N466 R470 I471 L472	L408-T468 HydrophobicContact CB-CG2 4.41Å; L408-T468 HydrophobicContact CD1-CG2 4.36Å; L408-T468 HydrophobicContact CD2-CG2 4.39Å; E412-T468 HydrophobicContact CG-CG2 4.25Å; E412-T468 WeakPolarHBondContact OE1-CB 3.3Å; E412-T468 PolarHBondContact OE1-OG1 3.29Å; N466-T468 VanDerWaalsContact C-N 3.31Å; N466-T468 PolarHBondContact O-N 3.32Å; N466-T468 PolarHBondContact OD1-N 3.49Å; T468-R470 VanDerWaalsContact C-N 3.32Å; T468-R470 PolarHBondContact O-N 2.7Å; T468-I471 PolarHBondContact O-N 3.35Å; T468-L472 HydrophobicContact CG2-CD1 4.41Å; T468-L472 WeakPolarHBondContact O-CG 3.42Å; T468-L472 PolarHBondContact O-N 3.36Å
469	T	92.2	Very high	88.5	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.3	-36	176.3	58.8	0	0	0	0	111.8	L425 Y433 L435 R465 N466 E467 L472 D473	L425-T469 HydrophobicContact CD2-CG2 3.72Å; Y433-T469 WeakPolarHBondContact O-CB 3.37Å; L435-T469 HydrophobicContact CB-CG2 4.43Å; R465-T469 WeakPolarHBondContact CA-OG1 3.32Å; N466-T469 PolarHBondContact N-OG1 3.27Å; N466-T469 PolarHBondContact O-N 3.19Å; N466-T469 PolarHBondContact O-OG1 3.03Å; N466-T469 VanDerWaalsContact OD1-CG2 3.29Å; N466-T469 WeakPolarHBondContact OD1-CG2 3.43Å; N466-T469 PolarHBondContact OD1-N 3.08Å; N466-T469 PolarHBondContact OD1-OG1 2.8Å; E467-T469 PolarHBondContact O-N 2.9Å; T469-L472 PolarHBondContact O-N 3.32Å; T469-D473 PolarHBondContact O-N 2.94Å
470	R	92.5	Very high	88.5	Confident	99 Å²	99	59 Å²	59	37%	0.374	27%	0.272	S	S	.	.	H	α-helix	trans	-67.6	-39.1	176.1	-70.3	179.6	-172.3	132.6	1.1	112	E453 N466 E467 T468 L472 D473 Q474	E453-R470 IonicContact OE2-CZ 3.49Å; E453-R470 IonicContact OE2-NH2 2.59Å; E453-R470 PolarHBondContact OE2-NH2 3.02Å; N466-R470 WeakPolarHBondContact O-CG 2.85Å; N466-R470 PolarHBondContact O-N 2.62Å; E467-R470 PolarHBondContact O-N 3.39Å; E467-R470 VanDerWaalsContact O-N 3.16Å; E467-R470 IonicContact OE2-NH1 2.72Å; T468-R470 VanDerWaalsContact C-N 3.32Å; T468-R470 PolarHBondContact O-N 2.7Å; R470-L472 VanDerWaalsContact C-N 3.34Å; R470-D473 PolarHBondContact O-N 3.49Å; R470-Q474 WeakPolarHBondContact O-CG 3.36Å; R470-Q474 PolarHBondContact O-N 2.95Å
471	I	91.9	Very high	88.4	Confident	85 Å²	85	57.4 Å²	57.4	44%	0.436	26%	0.261	S	S	.	.	H	α-helix	trans	-64.4	-42.1	174.1	-67.7	167.1	0	0	0	110.4	E467 T468 Q474 R475	E467-I471 HydrophobicContact CG-CD1 4.16Å; E467-I471 WeakPolarHBondContact O-CG1 3.22Å; E467-I471 PolarHBondContact O-N 2.89Å; T468-I471 PolarHBondContact O-N 3.35Å; I471-Q474 PolarHBondContact O-N 3.44Å; I471-R475 VanDerWaalsContact O-CB 3.27Å; I471-R475 WeakPolarHBondContact O-CB 3.19Å; I471-R475 PolarHBondContact O-N 3.48Å
472	L	90.8	Very high	88.3	Confident	4 Å²	4	56.6 Å²	56.6	2%	0.021	26%	0.261	C	S	.	.	H	α-helix	trans	-61.6	-43.9	175.4	-73.6	170	0	0	0	111.9	L405 L408 L425 Y433 T468 T469 R470 Q474 R475 Y476 G477	L405-L472 HydrophobicContact CD2-CD1 3.7Å; L405-L472 HydrophobicContact CD2-CD2 4.29Å; L408-L472 HydrophobicContact CD1-CD1 4.07Å; L408-L472 HydrophobicContact CD1-CD2 3.73Å; L408-L472 HydrophobicContact CD1-CG 4.18Å; L425-L472 HydrophobicContact CD1-CD1 4.03Å; L425-L472 HydrophobicContact CD2-CD1 4.49Å; Y433-L472 HydrophobicContact CD1-CB 4.36Å; Y433-L472 HydrophobicContact CD1-CD1 4.37Å; Y433-L472 HydrophobicContact CD2-CB 3.64Å; Y433-L472 HydrophobicContact CE2-CB 4.24Å; Y433-L472 HydrophobicContact CG-CB 3.73Å; Y433-L472 HydrophobicContact CG-CD1 4.33Å; T468-L472 HydrophobicContact CG2-CD1 4.41Å; T468-L472 WeakPolarHBondContact O-CG 3.42Å; T468-L472 PolarHBondContact O-N 3.36Å; T469-L472 PolarHBondContact O-N 3.32Å; R470-L472 VanDerWaalsContact C-N 3.34Å; L472-Q474 VanDerWaalsContact C-N 3.34Å; L472-Q474 PolarHBondContact O-N 2.83Å; L472-R475 PolarHBondContact O-N 2.79Å; L472-Y476 HydrophobicContact CD2-CD2 3.69Å; L472-Y476 HydrophobicContact CD2-CE2 3.84Å; L472-Y476 PolarHBondContact O-N 3.39Å; L472-G477 PolarHBondContact O-N 2.91Å
473	D	89.5	Confident	88.4	Confident	43 Å²	43	56.7 Å²	56.7	23%	0.23	26%	0.262	C	S	.	.	H	α-helix	trans	-60.3	-41.8	174.7	-79.5	-27.3	0	0	0	112.2	G432 Y433 T469 R470 G477	G432-D473 WeakPolarHBondContact CA-OD1 3.35Å; Y433-D473 VanDerWaalsContact CD2-OD1 3.29Å; Y433-D473 WeakPolarHBondContact CD2-OD1 2.95Å; Y433-D473 PolarHBondContact N-OD1 3.24Å; T469-D473 PolarHBondContact O-N 2.94Å; R470-D473 PolarHBondContact O-N 3.49Å; D473-G477 WeakPolarHBondContact O-CA 3.07Å; D473-G477 PolarHBondContact O-N 3.39Å; D473-G477 VanDerWaalsContact O-N 3.08Å
474	Q	87.3	Confident	88.3	Confident	169 Å²	169	58 Å²	58	79%	0.79	27%	0.271	S	S	*	.	H	α-helix	trans	-70.8	-39.7	178.5	-74.4	177.6	3.7	0	0	113	R470 I471 L472	R470-Q474 WeakPolarHBondContact O-CG 3.36Å; R470-Q474 PolarHBondContact O-N 2.95Å; I471-Q474 PolarHBondContact O-N 3.44Å; L472-Q474 VanDerWaalsContact C-N 3.34Å; L472-Q474 PolarHBondContact O-N 2.83Å
475	R	84.5	Confident	88.4	Confident	184 Å²	184	63 Å²	63	69%	0.694	30%	0.298	S	S	*	.	H	α-helix	trans	-85.1	-42.9	-171	-173.9	172.1	-178.2	175.2	-0.5	113.1	I471 L472	I471-R475 VanDerWaalsContact O-CB 3.27Å; I471-R475 WeakPolarHBondContact O-CB 3.19Å; I471-R475 PolarHBondContact O-N 3.48Å; L472-R475 PolarHBondContact O-N 2.79Å
476	Y	82.4	Confident	88.6	Confident	55 Å²	55	59.8 Å²	59.8	22%	0.216	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-37.6	-176.5	-60.2	-74.6	0	0	0	110.4	T397 L401 L404 L472 D478 V479	T397-Y476 HydrophobicContact CG2-CD1 3.48Å; T397-Y476 VanDerWaalsContact CG2-CD1 3.48Å; T397-Y476 HydrophobicContact CG2-CE1 3.63Å; L401-Y476 HydrophobicContact CD2-CD1 4.12Å; L401-Y476 HydrophobicContact CD2-CD2 4.27Å; L401-Y476 HydrophobicContact CD2-CG 3.95Å; L404-Y476 HydrophobicContact CD2-CE1 4.42Å; L404-Y476 HydrophobicContact CD2-CE2 3.58Å; L404-Y476 WeakPolarHBondContact CD2-OH 3.29Å; L472-Y476 HydrophobicContact CD2-CD2 3.69Å; L472-Y476 HydrophobicContact CD2-CE2 3.84Å; L472-Y476 PolarHBondContact O-N 3.39Å; Y476-D478 PolarHBondContact O-N 3.46Å; Y476-V479 WeakPolarHBondContact O-CG2 3.24Å; Y476-V479 PolarHBondContact O-N 2.95Å
477	G	80.1	Confident	88.8	Confident	20 Å²	20	59.5 Å²	59.5	21%	0.206	29%	0.288	C	S	.	.	S	Bend	trans	49	-132.4	-178.5	0	0	0	0	0	110.8	Y433 L472 D473 V479	Y433-G477 WeakPolarHBondContact CE2-O 3.44Å; Y433-G477 PolarHBondContact OH-O 2.79Å; L472-G477 PolarHBondContact O-N 2.91Å; D473-G477 WeakPolarHBondContact O-CA 3.07Å; D473-G477 PolarHBondContact O-N 3.39Å; D473-G477 VanDerWaalsContact O-N 3.08Å; G477-V479 PolarHBondContact O-N 3.3Å
478	D	83.2	Confident	88.9	Confident	52 Å²	52	56.2 Å²	56.2	28%	0.278	28%	0.276	S	S	.	.	S	Bend	trans	-97.5	61.1	-175.9	-154.8	-13.2	0	0	0	113.4	Y427 Y476 M480 Y481 A482	Y427-D478 PolarHBondContact OH-OD1 3.34Å; Y427-D478 PolarHBondContact OH-OD2 2.91Å; Y476-D478 PolarHBondContact O-N 3.46Å; D478-M480 PolarHBondContact O-N 2.77Å; D478-Y481 VanDerWaalsContact CG-CB 3.43Å; D478-Y481 PolarHBondContact O-N 2.84Å; D478-Y481 WeakPolarHBondContact OD1-CB 3.23Å; D478-Y481 WeakPolarHBondContact OD1-CD2 3.43Å; D478-Y481 PolarHBondContact OD1-N 3.11Å; D478-Y481 WeakPolarHBondContact OD2-CB 3.49Å; D478-Y481 WeakPolarHBondContact OD2-CD2 3.41Å; D478-Y481 VanDerWaalsContact OD2-CG 3.3Å; D478-A482 PolarHBondContact O-N 3.48Å
479	V	86.1	Confident	89.1	Confident	10 Å²	10	58.2 Å²	58.2	6%	0.061	29%	0.288	C	S	.	.	H	α-helix	trans	-55.7	-39.3	179.5	-172.5	0	0	0	0	111.4	W394 T397 L401 Y476 G477 A482 I483	W394-V479 HydrophobicContact CB-CG1 4.02Å; W394-V479 WeakPolarHBondContact O-CG1 2.88Å; T397-V479 HydrophobicContact CG2-CG2 4.4Å; L401-V479 HydrophobicContact CD1-CB 4.48Å; L401-V479 HydrophobicContact CD1-CG2 4.33Å; Y476-V479 WeakPolarHBondContact O-CG2 3.24Å; Y476-V479 PolarHBondContact O-N 2.95Å; G477-V479 PolarHBondContact O-N 3.3Å; V479-A482 PolarHBondContact O-N 2.9Å; V479-I483 HydrophobicContact CG1-CD1 4.02Å; V479-I483 HydrophobicContact CG1-CG1 4.47Å; V479-I483 VanDerWaalsContact O-CG1 3.31Å; V479-I483 WeakPolarHBondContact O-CG1 3.46Å; V479-I483 PolarHBondContact O-N 3.1Å
480	M	84.2	Confident	89.2	Confident	81 Å²	81	59.6 Å²	59.6	40%	0.399	30%	0.295	S	S	.	.	H	α-helix	trans	-63.3	-46.1	-179.4	-169.9	-157.7	178.8	0	0	111.1	Y398 D478 A482 I483 V484	Y398-M480 HydrophobicContact CD2-CB 4.31Å; Y398-M480 HydrophobicContact CE2-CB 3.83Å; Y398-M480 HydrophobicContact CE2-CG 4.07Å; D478-M480 PolarHBondContact O-N 2.77Å; M480-A482 VanDerWaalsContact C-N 3.34Å; M480-I483 WeakPolarHBondContact O-CB 3.35Å; M480-I483 PolarHBondContact O-N 3.13Å; M480-V484 VanDerWaalsContact O-CG2 3.24Å; M480-V484 WeakPolarHBondContact O-CG2 3.39Å; M480-V484 PolarHBondContact O-N 2.63Å
481	Y	86	Confident	89.3	Confident	108 Å²	108	56.2 Å²	56.2	42%	0.424	28%	0.284	S	S	.	.	H	α-helix	trans	-68.7	-34.7	177.3	-80.9	-110.9	0	0	0	111.8	P429 D478 I483 V484 D485	P429-Y481 HydrophobicContact CB-CE2 3.75Å; P429-Y481 WeakPolarHBondContact CB-OH 3.42Å; P429-Y481 HydrophobicContact CG-CE2 4.07Å; D478-Y481 VanDerWaalsContact CG-CB 3.43Å; D478-Y481 PolarHBondContact O-N 2.84Å; D478-Y481 WeakPolarHBondContact OD1-CB 3.23Å; D478-Y481 WeakPolarHBondContact OD1-CD2 3.43Å; D478-Y481 PolarHBondContact OD1-N 3.11Å; D478-Y481 WeakPolarHBondContact OD2-CB 3.49Å; D478-Y481 WeakPolarHBondContact OD2-CD2 3.41Å; D478-Y481 VanDerWaalsContact OD2-CG 3.3Å; Y481-I483 VanDerWaalsContact C-N 3.31Å; Y481-I483 PolarHBondContact O-N 2.77Å; Y481-V484 PolarHBondContact O-N 2.98Å; Y481-D485 WeakPolarHBondContact O-CB 3.23Å; Y481-D485 PolarHBondContact O-N 2.96Å
482	A	88.8	Confident	89.3	Confident	31 Å²	31	55.6 Å²	55.6	26%	0.256	28%	0.279	S	S	.	.	H	α-helix	trans	-59.8	-42.2	173.1	0	0	0	0	0	111.9	W394 D478 V479 M480 A486	W394-A482 HydrophobicContact CD2-CB 4.28Å; W394-A482 HydrophobicContact CE3-CB 4.3Å; W394-A482 HydrophobicContact CZ3-CB 4.48Å; D478-A482 PolarHBondContact O-N 3.48Å; V479-A482 PolarHBondContact O-N 2.9Å; M480-A482 VanDerWaalsContact C-N 3.34Å; A482-A486 VanDerWaalsContact O-CB 3.23Å; A482-A486 WeakPolarHBondContact O-CB 3.29Å; A482-A486 PolarHBondContact O-N 3.15Å
483	I	91.4	Very high	89.4	Confident	5 Å²	5	61.5 Å²	61.5	3%	0.026	31%	0.306	C	S	.	.	H	α-helix	trans	-60.9	-50.6	172.9	-69.6	164.4	0	0	0	110.3	L391 W394 Y398 V479 M480 Y481 D485 A486 E487	L391-I483 HydrophobicContact CD1-CB 4.17Å; L391-I483 HydrophobicContact CD1-CG1 4.18Å; L391-I483 HydrophobicContact CD1-CG2 3.93Å; W394-I483 HydrophobicContact CB-CD1 4.22Å; W394-I483 HydrophobicContact CB-CG1 3.68Å; Y398-I483 HydrophobicContact CD2-CD1 4.45Å; Y398-I483 HydrophobicContact CG-CD1 4.01Å; V479-I483 HydrophobicContact CG1-CD1 4.02Å; V479-I483 HydrophobicContact CG1-CG1 4.47Å; V479-I483 VanDerWaalsContact O-CG1 3.31Å; V479-I483 WeakPolarHBondContact O-CG1 3.46Å; V479-I483 PolarHBondContact O-N 3.1Å; M480-I483 WeakPolarHBondContact O-CB 3.35Å; M480-I483 PolarHBondContact O-N 3.13Å; Y481-I483 VanDerWaalsContact C-N 3.31Å; Y481-I483 PolarHBondContact O-N 2.77Å; I483-D485 PolarHBondContact O-N 3.49Å; I483-A486 PolarHBondContact O-N 3.24Å; I483-E487 WeakPolarHBondContact CG2-OE2 3.39Å; I483-E487 WeakPolarHBondContact O-CB 3.46Å; I483-E487 WeakPolarHBondContact O-CG 3.07Å; I483-E487 PolarHBondContact O-N 3.11Å
484	V	90.6	Very high	89.6	Confident	41 Å²	41	59.9 Å²	59.9	25%	0.248	30%	0.298	C	S	.	.	H	α-helix	trans	-62.1	-42.8	-177.8	173.6	0	0	0	0	111.8	M480 Y481 T488	M480-V484 VanDerWaalsContact O-CG2 3.24Å; M480-V484 WeakPolarHBondContact O-CG2 3.39Å; M480-V484 PolarHBondContact O-N 2.63Å; Y481-V484 PolarHBondContact O-N 2.98Å; V484-T488 VanDerWaalsContact O-CB 3.27Å; V484-T488 WeakPolarHBondContact O-CB 3.41Å; V484-T488 PolarHBondContact O-N 2.91Å; V484-T488 PolarHBondContact O-OG1 2.96Å
485	D	92	Very high	89.9	Confident	108 Å²	108	52 Å²	52	58%	0.578	26%	0.261	S	S	*	.	H	α-helix	trans	-67.4	-43.9	-180	-172	58.5	0	0	0	111.5	Y481 I483 T488 T489	Y481-D485 WeakPolarHBondContact O-CB 3.23Å; Y481-D485 PolarHBondContact O-N 2.96Å; I483-D485 PolarHBondContact O-N 3.49Å; D485-T488 PolarHBondContact O-N 2.77Å; D485-T489 WeakPolarHBondContact O-CB 3.38Å; D485-T489 PolarHBondContact O-N 3.16Å; D485-T489 PolarHBondContact O-OG1 3.38Å
486	A	94.5	Very high	90.1	Very high	16 Å²	16	47 Å²	47	13%	0.132	25%	0.248	C	C	.	.	H	α-helix	trans	-63.2	-44.7	175.1	0	0	0	0	0	112	L391 W394 A482 I483 T488 T489 I490	L391-A486 HydrophobicContact CD1-CB 4.14Å; W394-A486 HydrophobicContact CE3-CB 4.39Å; W394-A486 HydrophobicContact CZ3-CB 3.85Å; A482-A486 VanDerWaalsContact O-CB 3.23Å; A482-A486 WeakPolarHBondContact O-CB 3.29Å; A482-A486 PolarHBondContact O-N 3.15Å; I483-A486 PolarHBondContact O-N 3.24Å; A486-T488 VanDerWaalsContact C-N 3.33Å; A486-T488 PolarHBondContact O-N 3.3Å; A486-T489 WeakPolarHBondContact O-CB 3.34Å; A486-T489 PolarHBondContact O-N 3.12Å; A486-I490 WeakPolarHBondContact O-CG1 3.29Å; A486-I490 PolarHBondContact O-N 3.18Å
487	E	95.2	Very high	90.7	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-65.9	-36.7	176.3	-72.9	-178.6	132	0	0	112.2	R380 F381 V382 V383 L391 I483 I490 M491	R380-E487 IonicContact CZ-OE2 2.72Å; R380-E487 IonicContact NH1-OE2 3.66Å; R380-E487 PolarHBondContact NH1-OE2 3.36Å; R380-E487 IonicContact NH2-OE2 3.7Å; R380-E487 PolarHBondContact NH2-OE2 2.93Å; F381-E487 HydrophobicContact CD1-CB 4.44Å; V382-E487 WeakPolarHBondContact CA-OE1 3.25Å; V383-E487 HydrophobicContact CB-CG 4.2Å; V383-E487 HydrophobicContact CG2-CB 4.25Å; V383-E487 HydrophobicContact CG2-CG 3.81Å; V383-E487 PolarHBondContact N-OE1 3.15Å; L391-E487 HydrophobicContact CD1-CG 4Å; L391-E487 HydrophobicContact CD2-CG 3.59Å; L391-E487 HydrophobicContact CG-CG 4.43Å; I483-E487 WeakPolarHBondContact CG2-OE2 3.39Å; I483-E487 WeakPolarHBondContact O-CB 3.46Å; I483-E487 WeakPolarHBondContact O-CG 3.07Å; I483-E487 PolarHBondContact O-N 3.11Å; E487-I490 PolarHBondContact O-N 3.45Å; E487-M491 WeakPolarHBondContact O-CB 3.41Å; E487-M491 PolarHBondContact O-N 3.25Å
488	T	92.9	Very high	91.3	Very high	48 Å²	48	49.4 Å²	49.4	29%	0.294	25%	0.25	S	S	.	.	H	α-helix	trans	-65.5	-41.4	174.4	-58.8	0	0	0	0	110.9	V484 D485 A486 M491 H492	V484-T488 VanDerWaalsContact O-CB 3.27Å; V484-T488 WeakPolarHBondContact O-CB 3.41Å; V484-T488 PolarHBondContact O-N 2.91Å; V484-T488 PolarHBondContact O-OG1 2.96Å; D485-T488 PolarHBondContact O-N 2.77Å; A486-T488 VanDerWaalsContact C-N 3.33Å; A486-T488 PolarHBondContact O-N 3.3Å; T488-M491 HydrophobicContact CG2-CE 4.26Å; T488-M491 WeakPolarHBondContact O-CB 3.46Å; T488-M491 PolarHBondContact O-N 2.89Å; T488-H492 PolarHBondContact O-CD2 3.46Å; T488-H492 PolarHBondContact O-N 3.21Å
489	T	94.4	Very high	91.7	Very high	62 Å²	62	47.6 Å²	47.6	38%	0.38	24%	0.241	S	C	.	.	H	α-helix	trans	-61.6	-48.8	175.4	-62	0	0	0	0	110.8	D485 A486 M491 H492 H493	D485-T489 WeakPolarHBondContact O-CB 3.38Å; D485-T489 PolarHBondContact O-N 3.16Å; D485-T489 PolarHBondContact O-OG1 3.38Å; A486-T489 WeakPolarHBondContact O-CB 3.34Å; A486-T489 PolarHBondContact O-N 3.12Å; T489-M491 VanDerWaalsContact C-N 3.32Å; T489-M491 PolarHBondContact O-N 2.88Å; T489-H492 PolarHBondContact O-N 3.44Å; T489-H493 PolarHBondContact O-N 2.79Å; T489-H493 VanDerWaalsContact O-N 3.16Å; T489-H493 PolarHBondContact O-ND1 3.32Å
490	I	95.5	Very high	92	Very high	30 Å²	30	53.1 Å²	53.1	15%	0.154	27%	0.268	C	S	.	.	H	α-helix	trans	-61.6	-42.6	176.6	-67.6	165.9	0	0	0	110.6	V369 F381 V383 D388 L391 A486 E487 H492 H493 L494	V369-I490 HydrophobicContact CG1-CG2 3.98Å; F381-I490 HydrophobicContact CE1-CG2 4.49Å; V383-I490 HydrophobicContact CG1-CD1 4.31Å; V383-I490 HydrophobicContact CG2-CB 4.17Å; V383-I490 HydrophobicContact CG2-CD1 4.1Å; V383-I490 HydrophobicContact CG2-CG2 3.86Å; D388-I490 HydrophobicContact CB-CD1 3.97Å; L391-I490 HydrophobicContact CD2-CD1 4.01Å; A486-I490 WeakPolarHBondContact O-CG1 3.29Å; A486-I490 PolarHBondContact O-N 3.18Å; E487-I490 PolarHBondContact O-N 3.45Å; I490-H492 PolarHBondContact O-N 3.2Å; I490-H493 PolarHBondContact O-N 3.46Å; I490-L494 VanDerWaalsContact O-CB 3.3Å; I490-L494 WeakPolarHBondContact O-CB 3.47Å; I490-L494 PolarHBondContact O-N 2.91Å
491	M	94.7	Very high	92.4	Very high	28 Å²	28	53 Å²	53	14%	0.138	26%	0.264	C	S	.	.	H	α-helix	trans	-56.8	-47.1	176.9	-176	-167.8	66.9	0	0	111.5	W319 F381 E487 T488 T489 L494 Q495	W319-M491 HydrophobicContact CH2-CG 4.47Å; W319-M491 HydrophobicContact CZ2-CG 3.56Å; W319-M491 HydrophobicContact CZ2-SD 4.44Å; F381-M491 HydrophobicContact CB-CG 4.33Å; F381-M491 HydrophobicContact CB-SD 3.93Å; F381-M491 HydrophobicContact CD1-CB 3.64Å; F381-M491 HydrophobicContact CD1-CG 4.09Å; F381-M491 HydrophobicContact CD2-CB 4.32Å; F381-M491 HydrophobicContact CD2-CG 3.89Å; F381-M491 HydrophobicContact CD2-SD 4.39Å; F381-M491 HydrophobicContact CE1-CB 3.71Å; F381-M491 HydrophobicContact CE1-CG 4.31Å; F381-M491 HydrophobicContact CE2-CB 4.39Å; F381-M491 HydrophobicContact CE2-CG 4.12Å; F381-M491 HydrophobicContact CG-CB 3.94Å; F381-M491 HydrophobicContact CG-CG 3.85Å; F381-M491 HydrophobicContact CG-SD 4.12Å; F381-M491 HydrophobicContact CZ-CB 4.1Å; F381-M491 HydrophobicContact CZ-CG 4.33Å; E487-M491 WeakPolarHBondContact O-CB 3.41Å; E487-M491 PolarHBondContact O-N 3.25Å; T488-M491 HydrophobicContact CG2-CE 4.26Å; T488-M491 WeakPolarHBondContact O-CB 3.46Å; T488-M491 PolarHBondContact O-N 2.89Å; T489-M491 VanDerWaalsContact C-N 3.32Å; T489-M491 PolarHBondContact O-N 2.88Å; M491-L494 WeakPolarHBondContact O-CB 3.5Å; M491-L494 PolarHBondContact O-N 3.25Å; M491-Q495 WeakPolarHBondContact O-CG 3.47Å; M491-Q495 PolarHBondContact O-N 2.86Å
492	H	91.8	Very high	92.7	Very high	72 Å²	72	47.8 Å²	47.8	33%	0.333	24%	0.244	S	C	.	.	H	α-helix	trans	-63.5	-45.6	179.1	-75.1	-53.8	0	0	0	112.3	T488 T489 I490 L494 Q495 D496	T488-H492 PolarHBondContact O-CD2 3.46Å; T488-H492 PolarHBondContact O-N 3.21Å; T489-H492 PolarHBondContact O-N 3.44Å; I490-H492 PolarHBondContact O-N 3.2Å; H492-L494 PolarHBondContact O-N 2.84Å; H492-Q495 PolarHBondContact ND1-OE1 2.91Å; H492-Q495 WeakPolarHBondContact O-CB 3.49Å; H492-Q495 PolarHBondContact O-N 3.44Å; H492-D496 PolarHBondContact O-N 2.75Å
493	H	92.7	Very high	92.7	Very high	127 Å²	127	49.2 Å²	49.2	59%	0.588	25%	0.245	S	C	*	.	H	α-helix	trans	-58.9	-37.4	174.2	-72.2	89.1	0	0	0	112	T489 I490 R497	T489-H493 PolarHBondContact O-N 2.79Å; T489-H493 VanDerWaalsContact O-N 3.16Å; T489-H493 PolarHBondContact O-ND1 3.32Å; I490-H493 PolarHBondContact O-N 3.46Å; H493-R497 WeakPolarHBondContact O-CB 3.46Å; H493-R497 PolarHBondContact O-N 3.35Å
494	L	94	Very high	92.8	Very high	10 Å²	10	49.9 Å²	49.9	5%	0.052	25%	0.25	C	S	.	.	H	α-helix	trans	-69	-41.1	178.4	-161.2	68.1	0	0	0	112.1	W319 W365 L366 V369 I370 F381 I490 M491 H492 R497 L498	W319-L494 HydrophobicContact CH2-CB 4.28Å; W319-L494 HydrophobicContact CH2-CD2 4.12Å; W319-L494 HydrophobicContact CH2-CG 4.28Å; W319-L494 HydrophobicContact CZ3-CD2 3.88Å; W319-L494 HydrophobicContact CZ3-CG 4.2Å; W365-L494 HydrophobicContact CE3-CD1 3.43Å; W365-L494 VanDerWaalsContact CE3-CD1 3.43Å; W365-L494 HydrophobicContact CE3-CG 4.33Å; W365-L494 HydrophobicContact CH2-CD1 4.35Å; W365-L494 HydrophobicContact CZ3-CD1 3.21Å; W365-L494 HydrophobicContact CZ3-CD2 4.47Å; W365-L494 HydrophobicContact CZ3-CG 3.66Å; L366-L494 HydrophobicContact CD2-CD2 4.08Å; L366-L494 HydrophobicContact CD2-CG 4.24Å; V369-L494 HydrophobicContact CB-CD1 4.24Å; V369-L494 HydrophobicContact CB-CD2 4.24Å; V369-L494 HydrophobicContact CG1-CD1 4.14Å; V369-L494 HydrophobicContact CG1-CD2 3.79Å; V369-L494 HydrophobicContact CG2-CD1 4.18Å; I370-L494 HydrophobicContact CD1-CD2 3.65Å; I370-L494 HydrophobicContact CG1-CD2 3.67Å; F381-L494 HydrophobicContact CE2-CD2 4.1Å; F381-L494 HydrophobicContact CZ-CD2 3.75Å; I490-L494 VanDerWaalsContact O-CB 3.3Å; I490-L494 WeakPolarHBondContact O-CB 3.47Å; I490-L494 PolarHBondContact O-N 2.91Å; M491-L494 WeakPolarHBondContact O-CB 3.5Å; M491-L494 PolarHBondContact O-N 3.25Å; H492-L494 PolarHBondContact O-N 2.84Å; L494-R497 PolarHBondContact O-N 2.75Å; L494-L498 PolarHBondContact O-N 3.18Å
495	Q	92.4	Very high	93	Very high	4 Å²	4	48 Å²	48	2%	0.019	24%	0.238	C	C	.	.	H	α-helix	trans	-60.6	-51.8	173.8	-73.5	176.2	-27.1	0	0	110.7	M309 W319 M491 H492 R497 L498 L499	M309-Q495 HydrophobicContact CB-CG 4.46Å; M309-Q495 HydrophobicContact CG-CG 4.37Å; W319-Q495 HydrophobicContact CH2-CB 4.41Å; W319-Q495 HydrophobicContact CH2-CG 3.4Å; W319-Q495 HydrophobicContact CZ2-CG 3.47Å; W319-Q495 VanDerWaalsContact CZ2-CG 3.47Å; M491-Q495 WeakPolarHBondContact O-CG 3.47Å; M491-Q495 PolarHBondContact O-N 2.86Å; H492-Q495 PolarHBondContact ND1-OE1 2.91Å; H492-Q495 WeakPolarHBondContact O-CB 3.49Å; H492-Q495 PolarHBondContact O-N 3.44Å; Q495-R497 VanDerWaalsContact C-N 3.26Å; Q495-R497 PolarHBondContact O-N 2.9Å; Q495-L498 WeakPolarHBondContact O-CB 3.33Å; Q495-L498 PolarHBondContact O-N 3.47Å; Q495-L499 VanDerWaalsContact O-CG 3.31Å; Q495-L499 WeakPolarHBondContact O-CG 3.46Å; Q495-L499 PolarHBondContact O-N 3Å
496	D	90	Very high	93	Very high	77 Å²	77	43.2 Å²	43.2	41%	0.412	21%	0.213	S	C	.	.	H	α-helix	trans	-57.1	-43.3	179.4	-75.4	-24.6	0	0	0	111.4	H492 L498 L499 I500	H492-D496 PolarHBondContact O-N 2.75Å; D496-L498 PolarHBondContact O-N 3.07Å; D496-L499 PolarHBondContact O-N 2.9Å; D496-I500 PolarHBondContact O-N 3.34Å
497	R	93.6	Very high	92.8	Very high	126 Å²	126	45.5 Å²	45.5	48%	0.475	22%	0.221	S	C	.	.	H	α-helix	trans	-64.4	-38.7	176.5	-170.1	177.8	-178.4	-172.8	-0.3	112.6	W365 H493 L494 Q495 Y501	W365-R497 HydrophobicContact CZ2-CG 4.45Å; H493-R497 WeakPolarHBondContact O-CB 3.46Å; H493-R497 PolarHBondContact O-N 3.35Å; L494-R497 PolarHBondContact O-N 2.75Å; Q495-R497 VanDerWaalsContact C-N 3.26Å; Q495-R497 PolarHBondContact O-N 2.9Å; R497-Y501 VanDerWaalsContact O-CD2 3.28Å; R497-Y501 WeakPolarHBondContact O-CD2 3.42Å
498	L	94.3	Very high	92.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.2	-43.9	175.9	-167.6	145.7	0	0	0	111.2	M309 I322 W365 L366 L494 Q495 D496 I500 Y501 I505	M309-L498 HydrophobicContact CE-CD1 4.29Å; M309-L498 HydrophobicContact SD-CD1 4.03Å; M309-L498 HydrophobicContact SD-CD2 3.8Å; M309-L498 HydrophobicContact SD-CG 4.42Å; I322-L498 HydrophobicContact CG1-CD1 4.28Å; W365-L498 HydrophobicContact CH2-CB 3.88Å; W365-L498 HydrophobicContact CH2-CD1 4.28Å; W365-L498 HydrophobicContact CH2-CG 4.32Å; L366-L498 HydrophobicContact CD1-CD1 4.01Å; L366-L498 HydrophobicContact CD2-CD1 4.16Å; L494-L498 PolarHBondContact O-N 3.18Å; Q495-L498 WeakPolarHBondContact O-CB 3.33Å; Q495-L498 PolarHBondContact O-N 3.47Å; D496-L498 PolarHBondContact O-N 3.07Å; L498-I500 PolarHBondContact O-N 2.93Å; L498-Y501 PolarHBondContact O-N 3.46Å; L498-I505 HydrophobicContact CD2-CD1 3.83Å; L498-I505 HydrophobicContact CG-CD1 4.15Å
499	L	91.6	Very high	92.8	Very high	15 Å²	15	43.2 Å²	43.2	8%	0.079	21%	0.207	C	C	.	.	H	α-helix	trans	-62.4	-28.4	-175.2	-70.7	174.8	0	0	0	112.9	I306 M309 Q310 Q495 D496 Y501 T502	I306-L499 HydrophobicContact CG2-CD2 4.04Å; M309-L499 HydrophobicContact CB-CD2 4.21Å; Q310-L499 HydrophobicContact CG-CD1 4.04Å; Q310-L499 HydrophobicContact CG-CD2 3.52Å; Q310-L499 HydrophobicContact CG-CG 4.43Å; Q495-L499 VanDerWaalsContact O-CG 3.31Å; Q495-L499 WeakPolarHBondContact O-CG 3.46Å; Q495-L499 PolarHBondContact O-N 3Å; D496-L499 PolarHBondContact O-N 2.9Å; L499-Y501 PolarHBondContact O-N 3.25Å; L499-T502 WeakPolarHBondContact CA-OG1 3.46Å; L499-T502 VanDerWaalsContact O-CB 3.27Å; L499-T502 WeakPolarHBondContact O-CB 3.32Å; L499-T502 PolarHBondContact O-N 3.15Å; L499-T502 PolarHBondContact O-OG1 3.45Å
500	I	91.6	Very high	92.7	Very high	126 Å²	126	42.6 Å²	42.6	65%	0.646	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-34.5	171	-64.5	169.2	0	0	0	111.6	D496 L498	D496-I500 PolarHBondContact O-N 3.34Å; L498-I500 PolarHBondContact O-N 2.93Å
501	Y	93.3	Very high	92.6	Very high	77 Å²	77	41.5 Å²	41.5	30%	0.302	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	11.8	-178.8	-58.6	-76.9	0	0	0	113.6	I358 V362 R497 L498 L499 Q503 S504 I505	I358-Y501 HydrophobicContact CG2-CD1 3.47Å; I358-Y501 VanDerWaalsContact CG2-CD1 3.47Å; I358-Y501 HydrophobicContact CG2-CE1 4.03Å; I358-Y501 HydrophobicContact CG2-CG 4.14Å; V362-Y501 HydrophobicContact CG2-CD1 4.4Å; V362-Y501 HydrophobicContact CG2-CD2 3.76Å; V362-Y501 HydrophobicContact CG2-CE2 4.28Å; V362-Y501 HydrophobicContact CG2-CG 3.82Å; R497-Y501 VanDerWaalsContact O-CD2 3.28Å; R497-Y501 WeakPolarHBondContact O-CD2 3.42Å; L498-Y501 PolarHBondContact O-N 3.46Å; L499-Y501 PolarHBondContact O-N 3.25Å; Y501-Q503 VanDerWaalsContact C-N 3.26Å; Y501-Q503 PolarHBondContact O-N 3.26Å; Y501-S504 PolarHBondContact O-N 2.75Å; Y501-S504 VanDerWaalsContact O-N 3.13Å; Y501-I505 WeakPolarHBondContact O-CG1 3.31Å; Y501-I505 PolarHBondContact O-N 2.58Å
502	T	91.4	Very high	92.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-48.9	-48.4	-178.5	-66.9	0	0	0	0	111.8	I306 L499 S504 I505 L506	I306-T502 HydrophobicContact CD1-CG2 4.21Å; I306-T502 HydrophobicContact CG2-CG2 3.84Å; L499-T502 WeakPolarHBondContact CA-OG1 3.46Å; L499-T502 VanDerWaalsContact O-CB 3.27Å; L499-T502 WeakPolarHBondContact O-CB 3.32Å; L499-T502 PolarHBondContact O-N 3.15Å; L499-T502 PolarHBondContact O-OG1 3.45Å; T502-S504 PolarHBondContact O-N 2.78Å; T502-I505 PolarHBondContact O-N 2.78Å; T502-L506 HydrophobicContact CG2-CD1 3.54Å; T502-L506 HydrophobicContact CG2-CG 4.01Å; T502-L506 WeakPolarHBondContact O-CB 3.42Å; T502-L506 VanDerWaalsContact O-CG 3.26Å; T502-L506 WeakPolarHBondContact O-CG 3.49Å; T502-L506 PolarHBondContact O-N 2.77Å
503	Q	89.2	Confident	92.7	Very high	60 Å²	60	36.9 Å²	36.9	28%	0.28	17%	0.173	S	C	.	.	H	α-helix	trans	-61.5	-45.5	-177.6	-77	-66.5	-35.7	0	0	112.6	F138 D194 Y501 I505 L506 Q507	F138-Q503 HydrophobicContact CB-CG 3.75Å; F138-Q503 HydrophobicContact CD1-CG 4.22Å; F138-Q503 HydrophobicContact CD2-CG 4.3Å; F138-Q503 HydrophobicContact CG-CG 3.84Å; D194-Q503 PolarHBondContact OD1-NE2 2.72Å; Y501-Q503 VanDerWaalsContact C-N 3.26Å; Y501-Q503 PolarHBondContact O-N 3.26Å; Q503-I505 VanDerWaalsContact C-N 3.34Å; Q503-I505 PolarHBondContact O-N 2.88Å; Q503-L506 PolarHBondContact O-N 2.98Å; Q503-Q507 WeakPolarHBondContact O-CB 3.23Å; Q503-Q507 VanDerWaalsContact O-CG 3.29Å; Q503-Q507 WeakPolarHBondContact O-CG 3.31Å; Q503-Q507 PolarHBondContact O-N 2.57Å
504	S	93	Very high	92.7	Very high	20 Å²	20	31.9 Å²	31.9	14%	0.14	15%	0.15	C	C	.	.	H	α-helix	trans	-63.5	-41.3	176.1	-54.6	0	0	0	0	111.7	F354 Y501 T502 L506 Q507 A508	F354-S504 WeakPolarHBondContact CE2-O 3.46Å; Y501-S504 PolarHBondContact O-N 2.75Å; Y501-S504 VanDerWaalsContact O-N 3.13Å; T502-S504 PolarHBondContact O-N 2.78Å; S504-L506 PolarHBondContact O-N 2.85Å; S504-Q507 PolarHBondContact O-N 2.85Å; S504-A508 PolarHBondContact O-N 3.24Å
505	I	94.7	Very high	92.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.7	-43.7	177.8	-63.9	169.5	0	0	0	110.5	T302 I306 L326 I359 V362 L498 Y501 T502 Q503 A508 S509	T302-I505 HydrophobicContact CG2-CG2 3.46Å; T302-I505 VanDerWaalsContact CG2-CG2 3.46Å; I306-I505 HydrophobicContact CD1-CB 4.41Å; I306-I505 HydrophobicContact CD1-CG2 3.97Å; L326-I505 HydrophobicContact CD2-CD1 4.43Å; L326-I505 HydrophobicContact CD2-CG1 4.05Å; L326-I505 HydrophobicContact CD2-CG2 4.35Å; I359-I505 HydrophobicContact CD1-CG1 4.21Å; V362-I505 HydrophobicContact CG1-CD1 4.44Å; L498-I505 HydrophobicContact CD2-CD1 3.83Å; L498-I505 HydrophobicContact CG-CD1 4.15Å; Y501-I505 WeakPolarHBondContact O-CG1 3.31Å; Y501-I505 PolarHBondContact O-N 2.58Å; T502-I505 PolarHBondContact O-N 2.78Å; Q503-I505 VanDerWaalsContact C-N 3.34Å; Q503-I505 PolarHBondContact O-N 2.88Å; I505-A508 PolarHBondContact O-N 3.39Å; I505-S509 WeakPolarHBondContact O-CB 3.28Å; I505-S509 PolarHBondContact O-N 3.25Å
506	L	91.6	Very high	92.9	Very high	9 Å²	9	31.2 Å²	31.2	5%	0.047	15%	0.146	C	C	.	.	H	α-helix	trans	-66.9	-37.6	178.1	-69.2	176.8	0	0	0	112.5	V193 D194 Q303 I306 T502 Q503 S504 S509 Q510	V193-L506 HydrophobicContact CG1-CD1 3.81Å; V193-L506 HydrophobicContact CG1-CD2 4.14Å; D194-L506 HydrophobicContact CB-CD1 3.88Å; Q303-L506 HydrophobicContact CG-CD2 3.64Å; I306-L506 HydrophobicContact CD1-CD2 3.84Å; I306-L506 HydrophobicContact CD1-CG 4.09Å; T502-L506 HydrophobicContact CG2-CD1 3.54Å; T502-L506 HydrophobicContact CG2-CG 4.01Å; T502-L506 WeakPolarHBondContact O-CB 3.42Å; T502-L506 VanDerWaalsContact O-CG 3.26Å; T502-L506 WeakPolarHBondContact O-CG 3.49Å; T502-L506 PolarHBondContact O-N 2.77Å; Q503-L506 PolarHBondContact O-N 2.98Å; S504-L506 PolarHBondContact O-N 2.85Å; L506-S509 CarbonylContact O-C 3.59Å; L506-S509 WeakPolarHBondContact O-CA 3.25Å; L506-S509 VanDerWaalsContact O-CB 3.22Å; L506-S509 WeakPolarHBondContact O-CB 3.45Å; L506-S509 PolarHBondContact O-N 3.17Å; L506-Q510 WeakPolarHBondContact O-CB 3.49Å; L506-Q510 PolarHBondContact O-N 2.89Å
507	Q	91.7	Very high	93.1	Very high	64 Å²	64	28.4 Å²	28.4	30%	0.299	13%	0.132	S	C	.	.	H	α-helix	trans	-61.4	-46.4	173	-75.3	175	-27.4	0	0	111.8	L349 F354 Q503 S504 S509 Q510 F511	L349-Q507 HydrophobicContact CD1-CB 4.34Å; F354-Q507 HydrophobicContact CD2-CB 4.1Å; F354-Q507 HydrophobicContact CE2-CB 4.45Å; Q503-Q507 WeakPolarHBondContact O-CB 3.23Å; Q503-Q507 VanDerWaalsContact O-CG 3.29Å; Q503-Q507 WeakPolarHBondContact O-CG 3.31Å; Q503-Q507 PolarHBondContact O-N 2.57Å; S504-Q507 PolarHBondContact O-N 2.85Å; Q507-S509 PolarHBondContact O-N 2.72Å; Q507-Q510 PolarHBondContact O-N 3.39Å; Q507-F511 PolarHBondContact O-N 2.8Å
508	A	94.5	Very high	92.8	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.4	-34.1	174.5	0	0	0	0	0	112	M329 I333 F354 I359 S504 I505 A512	M329-A508 HydrophobicContact CB-CB 4.27Å; M329-A508 HydrophobicContact CG-CB 4.25Å; M329-A508 HydrophobicContact SD-CB 3.85Å; I333-A508 HydrophobicContact CD1-CB 4.38Å; F354-A508 HydrophobicContact CE2-CB 4.16Å; F354-A508 HydrophobicContact CZ-CB 3.99Å; I359-A508 HydrophobicContact CD1-CB 4Å; I359-A508 HydrophobicContact CG1-CB 4.17Å; S504-A508 PolarHBondContact O-N 3.24Å; I505-A508 PolarHBondContact O-N 3.39Å; A508-A512 PolarHBondContact O-N 3.46Å
509	S	93.3	Very high	92	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.007	12%	0.124	C	C	.	.	H	α-helix	trans	-65.2	-46.4	175	-146.9	0	0	0	0	112.5	Q251 T302 M329 I505 L506 Q507 F511 A512 A513	Q251-S509 PolarHBondContact NE2-OG 3.27Å; Q251-S509 PolarHBondContact OE1-O 3.27Å; Q251-S509 PolarHBondContact OE1-OG 3.25Å; T302-S509 PolarHBondContact OG1-OG 3.24Å; M329-S509 WeakPolarHBondContact CE-OG 3.4Å; I505-S509 WeakPolarHBondContact O-CB 3.28Å; I505-S509 PolarHBondContact O-N 3.25Å; L506-S509 CarbonylContact O-C 3.59Å; L506-S509 WeakPolarHBondContact O-CA 3.25Å; L506-S509 VanDerWaalsContact O-CB 3.22Å; L506-S509 WeakPolarHBondContact O-CB 3.45Å; L506-S509 PolarHBondContact O-N 3.17Å; Q507-S509 PolarHBondContact O-N 2.72Å; S509-F511 VanDerWaalsContact C-N 3.35Å; S509-A512 PolarHBondContact O-N 2.59Å; S509-A513 WeakPolarHBondContact O-CB 3.23Å; S509-A513 PolarHBondContact O-N 2.96Å
510	Q	90.9	Very high	92	Very high	48 Å²	48	25.7 Å²	25.7	22%	0.224	13%	0.126	C	C	.	.	H	α-helix	trans	-62.8	-44.2	176.5	-177.9	61.1	27.5	0	0	110.5	L506 Q507 A512 A513 E514	L506-Q510 WeakPolarHBondContact O-CB 3.49Å; L506-Q510 PolarHBondContact O-N 2.89Å; Q507-Q510 PolarHBondContact O-N 3.39Å; Q510-A512 VanDerWaalsContact C-N 3.32Å; Q510-A512 PolarHBondContact O-N 2.92Å; Q510-A513 WeakPolarHBondContact O-CB 3.36Å; Q510-A513 PolarHBondContact O-N 2.9Å; Q510-A513 VanDerWaalsContact O-N 3.14Å; Q510-E514 PolarHBondContact NE2-OE1 2.95Å; Q510-E514 WeakPolarHBondContact O-CG 3.36Å; Q510-E514 PolarHBondContact O-N 2.85Å
511	F	94.5	Very high	92.1	Very high	8 Å²	8	20.4 Å²	20.4	4%	0.035	10%	0.099	C	C	.	.	H	α-helix	trans	-55.1	-47.1	173.1	168.8	-100.3	0	0	0	112	L332 I333 C336 P345 V346 L349 Q507 S509 A513 E514 I515	L332-F511 HydrophobicContact CB-CE1 4.13Å; I333-F511 HydrophobicContact CG1-CD1 3.99Å; I333-F511 HydrophobicContact CG1-CE1 3.89Å; C336-F511 HydrophobicContact CB-CZ 3.82Å; P345-F511 HydrophobicContact CB-CD2 3.74Å; P345-F511 HydrophobicContact CB-CE2 4Å; V346-F511 HydrophobicContact CB-CE2 4.42Å; V346-F511 HydrophobicContact CG2-CE2 3.71Å; V346-F511 HydrophobicContact CG2-CZ 4.08Å; L349-F511 HydrophobicContact CB-CD2 4.45Å; L349-F511 HydrophobicContact CD1-CB 4.25Å; L349-F511 HydrophobicContact CD2-CB 4.32Å; L349-F511 HydrophobicContact CD2-CD1 4.35Å; L349-F511 HydrophobicContact CD2-CD2 4.14Å; L349-F511 HydrophobicContact CD2-CG 3.99Å; Q507-F511 PolarHBondContact O-N 2.8Å; S509-F511 VanDerWaalsContact C-N 3.35Å; F511-A513 VanDerWaalsContact C-N 3.35Å; F511-A513 PolarHBondContact O-N 3Å; F511-E514 PolarHBondContact O-N 2.76Å; F511-I515 HydrophobicContact CD2-CG1 4.35Å; F511-I515 HydrophobicContact CE1-CG1 4.25Å; F511-I515 HydrophobicContact CE2-CD1 4.15Å; F511-I515 HydrophobicContact CE2-CG1 3.87Å; F511-I515 HydrophobicContact CZ-CD1 4.18Å; F511-I515 HydrophobicContact CZ-CG1 3.81Å; F511-I515 VanDerWaalsContact O-CG1 3.3Å; F511-I515 WeakPolarHBondContact O-CG1 3.27Å; F511-I515 PolarHBondContact O-N 2.85Å; F511-I515 VanDerWaalsContact O-N 3.08Å
512	A	95.7	Very high	92	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.008	9%	0.088	C	C	.	.	H	α-helix	trans	-63.5	-39.8	176.9	0	0	0	0	0	112.3	L296 L332 A508 S509 Q510 I515 D516	L296-A512 HydrophobicContact CD2-CB 4.46Å; L332-A512 HydrophobicContact CD1-CB 3.86Å; A508-A512 PolarHBondContact O-N 3.46Å; S509-A512 PolarHBondContact O-N 2.59Å; Q510-A512 VanDerWaalsContact C-N 3.32Å; Q510-A512 PolarHBondContact O-N 2.92Å; A512-I515 PolarHBondContact O-N 3.01Å; A512-D516 WeakPolarHBondContact O-CB 3.42Å; A512-D516 PolarHBondContact O-N 3.42Å
513	A	93.4	Very high	92	Very high	2 Å²	2	18.2 Å²	18.2	2%	0.017	9%	0.093	C	C	.	.	H	α-helix	trans	-63.6	-41.8	177.7	0	0	0	0	0	112.3	Q251 G252 S509 Q510 F511 D516 C517	Q251-A513 HydrophobicContact CB-CB 3.72Å; G252-A513 WeakPolarHBondContact CA-O 3.25Å; S509-A513 WeakPolarHBondContact O-CB 3.23Å; S509-A513 PolarHBondContact O-N 2.96Å; Q510-A513 WeakPolarHBondContact O-CB 3.36Å; Q510-A513 PolarHBondContact O-N 2.9Å; Q510-A513 VanDerWaalsContact O-N 3.14Å; F511-A513 VanDerWaalsContact C-N 3.35Å; F511-A513 PolarHBondContact O-N 3Å; A513-D516 WeakPolarHBondContact O-CB 3.36Å; A513-D516 PolarHBondContact O-N 3.02Å; A513-C517 PolarHBondContact O-N 3.44Å; A513-C517 PolarHBondContact O-SG 2.87Å
514	E	92.8	Very high	92.2	Very high	22 Å²	22	15.6 Å²	15.6	10%	0.103	8%	0.081	C	C	.	.	H	α-helix	trans	-66.8	-43.1	177	-68.5	-172	-154	0	0	111.6	E255 W259 Y344 P345 Q510 F511 D516 C517 W518	E255-E514 HydrophobicContact CG-CG 4.46Å; W259-E514 HydrophobicContact CH2-CB 4.48Å; W259-E514 HydrophobicContact CZ2-CB 4.4Å; W259-E514 HydrophobicContact CZ2-CG 4.02Å; Y344-E514 WeakPolarHBondContact CE2-OE2 2.94Å; Y344-E514 PolarHBondContact OH-OE2 2.94Å; P345-E514 HydrophobicContact CB-CB 4.41Å; P345-E514 HydrophobicContact CG-CB 4.14Å; Q510-E514 PolarHBondContact NE2-OE1 2.95Å; Q510-E514 WeakPolarHBondContact O-CG 3.36Å; Q510-E514 PolarHBondContact O-N 2.85Å; F511-E514 PolarHBondContact O-N 2.76Å; E514-D516 VanDerWaalsContact C-N 3.28Å; E514-D516 PolarHBondContact O-N 3.43Å; E514-C517 WeakPolarHBondContact O-CB 3.41Å; E514-C517 PolarHBondContact O-N 2.76Å; E514-C517 VanDerWaalsContact O-N 3.17Å; E514-W518 HydrophobicContact CB-CH2 3.91Å; E514-W518 HydrophobicContact CB-CZ3 4.18Å; E514-W518 WeakPolarHBondContact O-CH2 3.25Å; E514-W518 WeakPolarHBondContact O-CZ3 3.13Å
515	I	94.8	Very high	92.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59.7	-40.3	174.9	-67.8	-73.2	0	0	0	111.5	I292 L343 F511 A512 C517 W518	I292-I515 HydrophobicContact CD1-CG2 4.07Å; I292-I515 HydrophobicContact CG2-CG2 3.61Å; L343-I515 HydrophobicContact CD1-CD1 4.38Å; F511-I515 HydrophobicContact CD2-CG1 4.35Å; F511-I515 HydrophobicContact CE1-CG1 4.25Å; F511-I515 HydrophobicContact CE2-CD1 4.15Å; F511-I515 HydrophobicContact CE2-CG1 3.87Å; F511-I515 HydrophobicContact CZ-CD1 4.18Å; F511-I515 HydrophobicContact CZ-CG1 3.81Å; F511-I515 VanDerWaalsContact O-CG1 3.3Å; F511-I515 WeakPolarHBondContact O-CG1 3.27Å; F511-I515 PolarHBondContact O-N 2.85Å; F511-I515 VanDerWaalsContact O-N 3.08Å; A512-I515 PolarHBondContact O-N 3.01Å; I515-C517 VanDerWaalsContact C-N 3.29Å; I515-C517 PolarHBondContact O-N 3.21Å; I515-W518 HydrophobicContact CD1-CE3 4.22Å; I515-W518 HydrophobicContact CD1-CZ3 3.9Å; I515-W518 HydrophobicContact CG1-CZ3 4.35Å; I515-W518 PolarHBondContact O-N 3.15Å
516	D	95.2	Very high	92	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.1	-32.3	177.8	-168.5	29.9	0	0	0	112.7	C247 L248 T249 L296 A512 A513 E514 W518 S519	C247-D516 WeakPolarHBondContact CA-OD1 3.38Å; C247-D516 WeakPolarHBondContact CB-OD2 3.44Å; L248-D516 PolarHBondContact N-OD1 2.98Å; L248-D516 PolarHBondContact N-OD2 2.93Å; T249-D516 WeakPolarHBondContact CA-OD2 3.33Å; T249-D516 VanDerWaalsContact CB-OD2 3.25Å; T249-D516 WeakPolarHBondContact CB-OD2 2.99Å; T249-D516 WeakPolarHBondContact CG2-OD2 3.34Å; T249-D516 PolarHBondContact N-OD2 3.35Å; T249-D516 PolarHBondContact OG1-OD2 3.01Å; L296-D516 HydrophobicContact CD1-CB 3.93Å; L296-D516 HydrophobicContact CD2-CB 4.05Å; A512-D516 WeakPolarHBondContact O-CB 3.42Å; A512-D516 PolarHBondContact O-N 3.42Å; A513-D516 WeakPolarHBondContact O-CB 3.36Å; A513-D516 PolarHBondContact O-N 3.02Å; E514-D516 VanDerWaalsContact C-N 3.28Å; E514-D516 PolarHBondContact O-N 3.43Å; D516-W518 PolarHBondContact O-N 3.16Å; D516-S519 WeakPolarHBondContact O-CB 3.41Å; D516-S519 PolarHBondContact O-N 3.2Å; D516-S519 PolarHBondContact O-OG 3.09Å; D516-S519 PolarHBondContact OD1-OG 3.27Å; D516-S519 VanDerWaalsContact OD1-OG 3.11Å
517	C	93.4	Very high	92	Very high	17 Å²	17	17 Å²	17	12%	0.115	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-23.1	176.9	-67.1	0	0	0	0	114.2	G252 W259 A513 E514 I515	G252-C517 PolarHBondContact O-SG 2.67Å; W259-C517 HydrophobicContact CE3-CB 4.03Å; W259-C517 HydrophobicContact CH2-CB 3.66Å; W259-C517 HydrophobicContact CZ2-CB 4.5Å; W259-C517 HydrophobicContact CZ3-CB 3.38Å; A513-C517 PolarHBondContact O-N 3.44Å; A513-C517 PolarHBondContact O-SG 2.87Å; E514-C517 WeakPolarHBondContact O-CB 3.41Å; E514-C517 PolarHBondContact O-N 2.76Å; E514-C517 VanDerWaalsContact O-N 3.17Å; I515-C517 VanDerWaalsContact C-N 3.29Å; I515-C517 PolarHBondContact O-N 3.21Å
518	W	87.8	Confident	92	Very high	33 Å²	33	13.1 Å²	13.1	13%	0.125	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-6.3	174.2	-56.5	-60.8	0	0	0	113.5	W259 A276 F280 Y344 P345 E514 I515 D516	W259-W518 HydrophobicContact CH2-CH2 4.08Å; W259-W518 AromaticContact CH2-CZ2 3.52Å; W259-W518 HydrophobicContact CH2-CZ2 3.52Å; W259-W518 HydrophobicContact CZ3-CZ2 4.04Å; A276-W518 HydrophobicContact CB-CD2 4.32Å; F280-W518 HydrophobicContact CD2-CB 3.68Å; F280-W518 HydrophobicContact CD2-CG 4.31Å; F280-W518 HydrophobicContact CE2-CB 3.78Å; F280-W518 HydrophobicContact CE2-CD2 4.29Å; F280-W518 AromaticContact CE2-CE3 3.94Å; F280-W518 HydrophobicContact CE2-CE3 3.94Å; F280-W518 HydrophobicContact CE2-CG 4.25Å; Y344-W518 HydrophobicContact CD1-CH2 4.31Å; Y344-W518 HydrophobicContact CD1-CZ2 4.25Å; Y344-W518 AromaticContact CE1-CH2 3.56Å; Y344-W518 HydrophobicContact CE1-CH2 3.56Å; Y344-W518 AromaticContact CE1-CZ2 3.35Å; Y344-W518 HydrophobicContact CE1-CZ2 3.35Å; Y344-W518 AromaticContact CZ-CH2 3.8Å; Y344-W518 AromaticContact CZ-CZ2 3.88Å; P345-W518 HydrophobicContact CG-CH2 3.2Å; P345-W518 HydrophobicContact CG-CZ2 4.41Å; P345-W518 HydrophobicContact CG-CZ3 3.45Å; P345-W518 VanDerWaalsContact CG-CZ3 3.45Å; E514-W518 HydrophobicContact CB-CH2 3.91Å; E514-W518 HydrophobicContact CB-CZ3 4.18Å; E514-W518 WeakPolarHBondContact O-CH2 3.25Å; E514-W518 WeakPolarHBondContact O-CZ3 3.13Å; I515-W518 HydrophobicContact CD1-CE3 4.22Å; I515-W518 HydrophobicContact CD1-CZ3 3.9Å; I515-W518 HydrophobicContact CG1-CZ3 4.35Å; I515-W518 PolarHBondContact O-N 3.15Å; D516-W518 PolarHBondContact O-N 3.16Å
519	S	78.1	Confident	91.8	Very high	25 Å²	25	14.3 Å²	14.3	18%	0.175	7%	0.074	C	C	.	.			trans	-81.1	0	-176.5	84.1	0	0	0	0	112.5	R293 D516	R293-S519 PolarHBondContact NH1-O 3.48Å; R293-S519 PolarHBondContact NH1-OG 3.04Å; R293-S519 PolarHBondContact NH1-OXT 3.46Å; R293-S519 VanDerWaalsContact NH1-OXT 3.11Å; D516-S519 WeakPolarHBondContact O-CB 3.41Å; D516-S519 PolarHBondContact O-N 3.2Å; D516-S519 PolarHBondContact O-OG 3.09Å; D516-S519 PolarHBondContact OD1-OG 3.27Å; D516-S519 VanDerWaalsContact OD1-OG 3.11Å

Retrieved 519 of 519 residues in 883.2 ms (Link to these results)

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