A0A087Y3Q8_POEFO Loading...

Signal transducer and activator of transcription

AlphaFold DB , UniProt , Accession A0A087Y3Q8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 787 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	45.8	Very low	66.2	Low	204 Å²	204	75.1 Å²	75.1	100%	1.005	37%	0.367	S	S	*	.				0	137.3	0	-72.6	-177.2	-129.3	0	0	107.1
2	A	59.1	Low	66.6	Low	13 Å²	13	72.4 Å²	72.4	11%	0.107	37%	0.374	C	S	.	.			trans	-61.7	137.7	179.2	0	0	0	0	0	109.9	W4 I5 E39	A2-W4 HydrophobicContact CB-CB 4.44Å; A2-W4 PolarHBondContact O-N 3.29Å; A2-W4 VanDerWaalsContact O-N 3.15Å; A2-I5 HydrophobicContact CB-CD1 4.37Å; A2-I5 HydrophobicContact CB-CG1 4.36Å; A2-I5 PolarHBondContact O-N 3.18Å; A2-E39 WeakPolarHBondContact CA-OE2 3.34Å; A2-E39 WeakPolarHBondContact CB-OE2 3.37Å
3	V	68.3	Low	66.1	Low	32 Å²	32	76.7 Å²	76.7	19%	0.194	40%	0.397	C	S	.	.	H	α-helix	trans	-54	-33.2	176	177.4	0	0	0	0	109.9	I5 Q6 A7 E39 Q117 I120	V3-I5 VanDerWaalsContact C-N 3.35Å; V3-I5 PolarHBondContact O-N 2.96Å; V3-Q6 PolarHBondContact O-N 3.38Å; V3-A7 PolarHBondContact O-N 3.33Å; V3-E39 PolarHBondContact N-OE1 3.24Å; V3-E39 PolarHBondContact N-OE2 2.96Å; V3-Q117 HydrophobicContact CG1-CG 4.15Å; V3-I120 HydrophobicContact CG1-CD1 3.48Å; V3-I120 VanDerWaalsContact CG1-CD1 3.48Å
4	W	76.3	Confident	65.9	Low	9 Å²	9	72.9 Å²	72.9	3%	0.034	38%	0.383	C	S	.	.	H	α-helix	trans	-58.5	-35.7	174.8	-169.7	-121.3	0	0	0	115.5	A2 Q6 A7 Q8 M18 Y22 I28 R31 H32 E39 E116	A2-W4 HydrophobicContact CB-CB 4.44Å; A2-W4 PolarHBondContact O-N 3.29Å; A2-W4 VanDerWaalsContact O-N 3.15Å; W4-Q6 VanDerWaalsContact C-N 3.3Å; W4-Q6 PolarHBondContact O-N 3.28Å; W4-A7 HydrophobicContact CE3-CB 4.16Å; W4-A7 PolarHBondContact O-N 2.97Å; W4-Q8 VanDerWaalsContact CD1-NE2 3.32Å; W4-Q8 WeakPolarHBondContact O-CG 3.34Å; W4-Q8 PolarHBondContact O-N 3.18Å; W4-M18 HydrophobicContact CZ3-SD 4.43Å; W4-Y22 HydrophobicContact CH2-CE2 4.19Å; W4-Y22 HydrophobicContact CZ3-CE2 4.04Å; W4-Y22 AromaticContact CZ3-CZ 3.96Å; W4-I28 HydrophobicContact CH2-CD1 4.06Å; W4-I28 HydrophobicContact CH2-CG1 3.67Å; W4-I28 HydrophobicContact CZ2-CG1 4.15Å; W4-R31 HydrophobicContact CD2-CG 3.93Å; W4-R31 HydrophobicContact CE3-CG 3.52Å; W4-R31 HydrophobicContact CH2-CB 4.31Å; W4-R31 HydrophobicContact CH2-CG 3.72Å; W4-R31 HydrophobicContact CZ2-CG 4.09Å; W4-R31 HydrophobicContact CZ3-CB 4.46Å; W4-R31 HydrophobicContact CZ3-CG 3.43Å; W4-R31 VanDerWaalsContact CZ3-CG 3.43Å; W4-H32 AromaticContact CE2-ND1 3.89Å; W4-H32 HydrophobicContact CZ2-CB 3.84Å; W4-H32 VanDerWaalsContact NE1-CA 3.34Å; W4-H32 AromaticContact NE1-CG 3.62Å; W4-H32 AromaticContact NE1-ND1 3.13Å; W4-H32 PolarHBondContact NE1-ND1 3.49Å; W4-H32 VanDerWaalsContact NE1-ND1 3.13Å; W4-E39 WeakPolarHBondContact CB-OE1 3.25Å; W4-E39 PolarHBondContact N-OE1 2.99Å; W4-E116 WeakPolarHBondContact CZ3-OE1 3.37Å
5	I	73.1	Confident	66.2	Low	79 Å²	79	71.5 Å²	71.5	41%	0.405	38%	0.375	S	S	.	.	H	α-helix	trans	-69.1	-34.7	178.9	-64.5	171.6	0	0	0	110.2	A2 V3	A2-I5 HydrophobicContact CB-CD1 4.37Å; A2-I5 HydrophobicContact CB-CG1 4.36Å; A2-I5 PolarHBondContact O-N 3.18Å; V3-I5 VanDerWaalsContact C-N 3.35Å; V3-I5 PolarHBondContact O-N 2.96Å
6	Q	68.1	Low	66.3	Low	89 Å²	89	74.6 Å²	74.6	42%	0.416	39%	0.387	S	S	.	.	H	α-helix	trans	-73.7	-36	174.8	-65.9	177.3	-15	0	0	111.3	V3 W4 Q8 Q9 I120	V3-Q6 PolarHBondContact O-N 3.38Å; W4-Q6 VanDerWaalsContact C-N 3.3Å; W4-Q6 PolarHBondContact O-N 3.28Å; Q6-Q8 VanDerWaalsContact C-N 3.34Å; Q6-Q8 PolarHBondContact O-N 3.15Å; Q6-Q9 PolarHBondContact O-N 3.05Å; Q6-I120 HydrophobicContact CB-CD1 4.15Å; Q6-I120 HydrophobicContact CB-CG2 4.36Å
7	A	68.3	Low	66.5	Low	0 Å²	0	75.6 Å²	75.6	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-62.3	-38	174.4	0	0	0	0	0	112.6	V3 W4 Q9 L10 M18 I120	V3-A7 PolarHBondContact O-N 3.33Å; W4-A7 HydrophobicContact CE3-CB 4.16Å; W4-A7 PolarHBondContact O-N 2.97Å; A7-Q9 PolarHBondContact O-N 3.32Å; A7-L10 WeakPolarHBondContact O-CB 3.48Å; A7-L10 WeakPolarHBondContact O-CG 3.25Å; A7-L10 PolarHBondContact O-N 3.4Å; A7-M18 HydrophobicContact CB-SD 3.93Å; A7-I120 HydrophobicContact CB-CD1 4.13Å
8	Q	71.2	Confident	66.9	Low	95 Å²	95	71.9 Å²	71.9	44%	0.444	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-21	176.4	-74.3	176.4	11.6	0	0	114.1	W4 Q6 L10 H32	W4-Q8 VanDerWaalsContact CD1-NE2 3.32Å; W4-Q8 WeakPolarHBondContact O-CG 3.34Å; W4-Q8 PolarHBondContact O-N 3.18Å; Q6-Q8 VanDerWaalsContact C-N 3.34Å; Q6-Q8 PolarHBondContact O-N 3.15Å; Q8-L10 VanDerWaalsContact C-N 3.33Å; Q8-H32 PolarHBondContact NE2-CE1 3.27Å; Q8-H32 PolarHBondContact NE2-ND1 2.79Å
9	Q	68.3	Low	67.2	Low	144 Å²	144	73.2 Å²	73.2	67%	0.673	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-5.2	179.5	-66	179.4	-6	0	0	112.8	Q6 A7	Q6-Q9 PolarHBondContact O-N 3.05Å; A7-Q9 PolarHBondContact O-N 3.32Å
10	L	68.6	Low	67.5	Low	15 Å²	15	74.1 Å²	74.1	8%	0.079	39%	0.388	C	S	.	.			trans	-66.2	138.4	175.5	-63	174.5	0	0	0	110.6	A7 Q8 A14 L119 I120 A123	A7-L10 WeakPolarHBondContact O-CB 3.48Å; A7-L10 WeakPolarHBondContact O-CG 3.25Å; A7-L10 PolarHBondContact O-N 3.4Å; Q8-L10 VanDerWaalsContact C-N 3.33Å; L10-A14 HydrophobicContact CB-CB 4.36Å; L10-L119 HydrophobicContact CD1-CB 4.21Å; L10-I120 HydrophobicContact CD1-CG1 4.19Å; L10-A123 HydrophobicContact CD2-CB 3.3Å
11	Q	60.8	Low	67.7	Low	146 Å²	146	71.9 Å²	71.9	68%	0.682	38%	0.376	S	S	*	.			trans	-124.7	157.9	179.3	-63.5	-171	-2.6	0	0	111.4
12	G	71.7	Confident	69.3	Low	43 Å²	43	63.2 Å²	63.2	44%	0.443	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	-138.6	175.5	0	0	0	0	0	114	A14 L15 H16	G12-A14 VanDerWaalsContact C-N 3.25Å; G12-A14 PolarHBondContact O-N 2.93Å; G12-L15 WeakPolarHBondContact O-CB 3.49Å; G12-L15 PolarHBondContact O-N 3.36Å; G12-H16 PolarHBondContact O-N 2.97Å
13	D	60.4	Low	69.8	Low	128 Å²	128	64 Å²	64	68%	0.684	34%	0.342	S	S	*	.	H	α-helix	trans	-61.8	-30.7	-175	-68.8	-28	0	0	0	113.3	L15 H16 Q17	D13-L15 VanDerWaalsContact C-N 3.33Å; D13-L15 PolarHBondContact O-N 2.87Å; D13-H16 PolarHBondContact O-N 3.03Å; D13-Q17 WeakPolarHBondContact O-CB 3.34Å; D13-Q17 WeakPolarHBondContact O-CG 3.46Å; D13-Q17 PolarHBondContact O-N 2.99Å
14	A	62	Low	69.5	Low	24 Å²	24	70.7 Å²	70.7	20%	0.198	37%	0.371	C	S	.	.	H	α-helix	trans	-65.5	-36	175.8	0	0	0	0	0	112.1	L10 G12 M18	L10-A14 HydrophobicContact CB-CB 4.36Å; G12-A14 VanDerWaalsContact C-N 3.25Å; G12-A14 PolarHBondContact O-N 2.93Å; A14-M18 WeakPolarHBondContact O-CB 3.41Å; A14-M18 PolarHBondContact O-N 3.49Å
15	L	70.8	Confident	69.2	Low	51 Å²	51	74.1 Å²	74.1	27%	0.267	39%	0.387	S	S	.	.	H	α-helix	trans	-71.3	-40.1	175.3	-174.4	71.1	0	0	0	111.2	G12 D13 M18 Q19	G12-L15 WeakPolarHBondContact O-CB 3.49Å; G12-L15 PolarHBondContact O-N 3.36Å; D13-L15 VanDerWaalsContact C-N 3.33Å; D13-L15 PolarHBondContact O-N 2.87Å; L15-M18 HydrophobicContact CD1-CE 3.54Å; L15-M18 WeakPolarHBondContact O-CB 3.34Å; L15-M18 PolarHBondContact O-N 3.36Å; L15-Q19 WeakPolarHBondContact O-CG 3.1Å; L15-Q19 PolarHBondContact O-N 3.31Å
16	H	68.8	Low	69.5	Low	121 Å²	121	70.4 Å²	70.4	56%	0.56	37%	0.369	S	S	*	.	H	α-helix	trans	-65.5	-40.3	175.8	-77.9	-52.2	0	0	0	112.4	G12 D13 Q19 S20	G12-H16 PolarHBondContact O-N 2.97Å; D13-H16 PolarHBondContact O-N 3.03Å; H16-Q19 PolarHBondContact ND1-OE1 3.43Å; H16-Q19 PolarHBondContact O-N 3.17Å; H16-S20 PolarHBondContact O-N 2.79Å
17	Q	68.4	Low	70	Confident	92 Å²	92	66.6 Å²	66.6	43%	0.43	35%	0.351	S	S	.	.	H	α-helix	trans	-62.8	-43.6	172.5	-73	-177.3	23	0	0	110.9	D13 Q19 S20 L21 L119	D13-Q17 WeakPolarHBondContact O-CB 3.34Å; D13-Q17 WeakPolarHBondContact O-CG 3.46Å; D13-Q17 PolarHBondContact O-N 2.99Å; Q17-Q19 PolarHBondContact O-N 3.38Å; Q17-S20 PolarHBondContact O-N 3.42Å; Q17-S20 PolarHBondContact O-OG 2.96Å; Q17-L21 WeakPolarHBondContact O-CG 3.48Å; Q17-L21 PolarHBondContact O-N 2.96Å; Q17-L119 HydrophobicContact CB-CD1 4.3Å; Q17-L119 HydrophobicContact CB-CD2 4.4Å
18	M	74.1	Confident	70.6	Confident	10 Å²	10	69.1 Å²	69.1	5%	0.049	36%	0.364	C	S	.	.	H	α-helix	trans	-59.2	-46.1	173.9	-172.5	-166.2	79.5	0	0	112.1	W4 A7 A14 L15 S20 L21 Y22 L119	W4-M18 HydrophobicContact CZ3-SD 4.43Å; A7-M18 HydrophobicContact CB-SD 3.93Å; A14-M18 WeakPolarHBondContact O-CB 3.41Å; A14-M18 PolarHBondContact O-N 3.49Å; L15-M18 HydrophobicContact CD1-CE 3.54Å; L15-M18 WeakPolarHBondContact O-CB 3.34Å; L15-M18 PolarHBondContact O-N 3.36Å; M18-S20 VanDerWaalsContact C-N 3.28Å; M18-S20 PolarHBondContact O-N 3.15Å; M18-L21 WeakPolarHBondContact O-CB 3.26Å; M18-L21 PolarHBondContact O-N 2.96Å; M18-L21 VanDerWaalsContact O-N 3.16Å; M18-Y22 HydrophobicContact CG-CE2 4.09Å; M18-Y22 WeakPolarHBondContact O-CD2 3.32Å; M18-L119 HydrophobicContact CB-CD1 4.41Å
19	Q	72.9	Confident	71	Confident	96 Å²	96	67.6 Å²	67.6	45%	0.449	36%	0.357	S	S	.	.	H	α-helix	trans	-61.1	-36.5	177.5	-75	173.1	-11.2	0	0	112.4	L15 H16 Q17 L21 Y22	L15-Q19 WeakPolarHBondContact O-CG 3.1Å; L15-Q19 PolarHBondContact O-N 3.31Å; H16-Q19 PolarHBondContact ND1-OE1 3.43Å; H16-Q19 PolarHBondContact O-N 3.17Å; Q17-Q19 PolarHBondContact O-N 3.38Å; Q19-L21 PolarHBondContact O-N 3.05Å; Q19-Y22 PolarHBondContact O-N 3.39Å
20	S	73	Confident	71.6	Confident	91 Å²	91	60.8 Å²	60.8	64%	0.636	33%	0.325	S	S	*	.	H	α-helix	trans	-69	-19.5	178.1	74.3	0	0	0	0	114.3	H16 Q17 M18 Y22	H16-S20 PolarHBondContact O-N 2.79Å; Q17-S20 PolarHBondContact O-N 3.42Å; Q17-S20 PolarHBondContact O-OG 2.96Å; M18-S20 VanDerWaalsContact C-N 3.28Å; M18-S20 PolarHBondContact O-N 3.15Å; S20-Y22 VanDerWaalsContact C-N 3.3Å
21	L	72	Confident	72.2	Confident	27 Å²	27	60.1 Å²	60.1	14%	0.141	32%	0.322	C	S	.	.	H	α-helix	trans	-73.9	-24.3	175.9	-64.9	170.1	0	0	0	112.4	Q17 M18 Q19 H25 T115 L119	Q17-L21 WeakPolarHBondContact O-CG 3.48Å; Q17-L21 PolarHBondContact O-N 2.96Å; M18-L21 WeakPolarHBondContact O-CB 3.26Å; M18-L21 PolarHBondContact O-N 2.96Å; M18-L21 VanDerWaalsContact O-N 3.16Å; Q19-L21 PolarHBondContact O-N 3.05Å; L21-H25 PolarHBondContact O-CE1 2.82Å; L21-H25 PolarHBondContact O-NE2 3.13Å; L21-T115 HydrophobicContact CD1-CG2 3.65Å; L21-T115 HydrophobicContact CD2-CG2 4.09Å; L21-T115 HydrophobicContact CG-CG2 4.47Å; L21-L119 HydrophobicContact CD1-CD1 4.4Å
22	Y	78.5	Confident	73.1	Confident	22 Å²	22	57 Å²	57	9%	0.086	31%	0.307	C	S	.	.			trans	-98.4	129.2	-178.8	-65	-73.7	0	0	0	110.4	W4 M18 Q19 S20 F26 I28 R31 I112 E116	W4-Y22 HydrophobicContact CH2-CE2 4.19Å; W4-Y22 HydrophobicContact CZ3-CE2 4.04Å; W4-Y22 AromaticContact CZ3-CZ 3.96Å; M18-Y22 HydrophobicContact CG-CE2 4.09Å; M18-Y22 WeakPolarHBondContact O-CD2 3.32Å; Q19-Y22 PolarHBondContact O-N 3.39Å; S20-Y22 VanDerWaalsContact C-N 3.3Å; Y22-F26 HydrophobicContact CD1-CD1 4.2Å; Y22-F26 HydrophobicContact CE1-CD1 4.03Å; Y22-F26 HydrophobicContact CE1-CE1 4.45Å; Y22-I28 HydrophobicContact CD1-CB 3.94Å; Y22-I28 HydrophobicContact CD1-CG1 4.12Å; Y22-I28 HydrophobicContact CD2-CB 4.14Å; Y22-I28 HydrophobicContact CD2-CD1 3.67Å; Y22-I28 HydrophobicContact CD2-CG1 3.7Å; Y22-I28 HydrophobicContact CE2-CD1 4.25Å; Y22-I28 HydrophobicContact CE2-CG1 4.13Å; Y22-I28 HydrophobicContact CG-CB 3.63Å; Y22-I28 HydrophobicContact CG-CD1 4.08Å; Y22-I28 HydrophobicContact CG-CG1 3.72Å; Y22-R31 HydrophobicContact CD1-CB 4.46Å; Y22-R31 HydrophobicContact CE1-CB 3.63Å; Y22-R31 HydrophobicContact CE1-CG 3.9Å; Y22-R31 WeakPolarHBondContact OH-CD 3.48Å; Y22-R31 VanDerWaalsContact OH-CG 3.24Å; Y22-R31 WeakPolarHBondContact OH-CG 3.5Å; Y22-I112 HydrophobicContact CE1-CD1 4.44Å; Y22-I112 HydrophobicContact CE1-CG2 3.95Å; Y22-I112 WeakPolarHBondContact OH-CG2 3.33Å; Y22-E116 VanDerWaalsContact OH-CD 3.26Å; Y22-E116 PolarHBondContact OH-OE1 3Å
23	G	69.8	Low	73.4	Confident	31 Å²	31	58.6 Å²	58.6	32%	0.32	30%	0.3	S	S	.	.	S	Bend	trans	-160.5	-159.7	-174.6	0	0	0	0	0	111.7	H25 F26	G23-H25 PolarHBondContact N-CE1 3.36Å; G23-H25 PolarHBondContact O-N 3.45Å; G23-F26 PolarHBondContact N-O 3.03Å; G23-F26 CarbonylContact O-C 3.45Å; G23-F26 PolarHBondContact O-N 3.39Å
24	Q	62.5	Low	74.3	Confident	171 Å²	171	52.6 Å²	52.6	80%	0.799	27%	0.268	S	S	*	.	S	Bend	trans	-65.4	-20.8	179.9	-67.5	-165.6	-0.2	0	0	113.4	Q93	Q24-Q93 PolarHBondContact O-NE2 3.19Å
25	H	71	Confident	75.2	Confident	81 Å²	81	52.3 Å²	52.3	38%	0.375	27%	0.265	S	S	.	.	S	Bend	trans	-72.1	-41.1	174.5	54.6	-72.7	0	0	0	112.3	L21 G23 Y98	L21-H25 PolarHBondContact O-CE1 2.82Å; L21-H25 PolarHBondContact O-NE2 3.13Å; G23-H25 PolarHBondContact N-CE1 3.36Å; G23-H25 PolarHBondContact O-N 3.45Å; H25-Y98 WeakPolarHBondContact O-CE2 3.37Å; H25-Y98 PolarHBondContact O-OH 3.34Å
26	F	77.8	Confident	75.5	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.009	29%	0.285	C	S	.	.	S	Bend	trans	-147.5	108.5	176.4	-162.9	-101.2	0	0	0	110.4	Y22 G23 V30 R31 I38 L94 L105 I109 I112	Y22-F26 HydrophobicContact CD1-CD1 4.2Å; Y22-F26 HydrophobicContact CE1-CD1 4.03Å; Y22-F26 HydrophobicContact CE1-CE1 4.45Å; G23-F26 PolarHBondContact N-O 3.03Å; G23-F26 CarbonylContact O-C 3.45Å; G23-F26 PolarHBondContact O-N 3.39Å; F26-V30 HydrophobicContact CE1-CG1 4.44Å; F26-V30 HydrophobicContact CE2-CG1 4.12Å; F26-V30 HydrophobicContact CZ-CB 4.43Å; F26-V30 HydrophobicContact CZ-CG1 3.8Å; F26-R31 HydrophobicContact CE1-CB 4.04Å; F26-I38 HydrophobicContact CZ-CD1 3.99Å; F26-L94 HydrophobicContact CD2-CD2 4.22Å; F26-L105 HydrophobicContact CD2-CD1 4.47Å; F26-L105 HydrophobicContact CE2-CD1 4.49Å; F26-I109 HydrophobicContact CD2-CG1 4.42Å; F26-I109 HydrophobicContact CE2-CD1 4.04Å; F26-I109 HydrophobicContact CE2-CG1 3.97Å; F26-I109 HydrophobicContact CZ-CD1 4.38Å; F26-I109 HydrophobicContact CZ-CG1 4.23Å; F26-I112 HydrophobicContact CB-CD1 3.83Å; F26-I112 HydrophobicContact CD1-CD1 3.7Å; F26-I112 HydrophobicContact CG-CD1 3.92Å
27	P	79.8	Confident	76.2	Confident	8 Å²	8	52.9 Å²	52.9	5%	0.052	27%	0.265	C	S	.	.			trans	-66.9	139.6	-178.3	-19.9	30.9	0	0	0	112.6	E29 V30 R31 Y90	P27-E29 WeakPolarHBondContact CB-OE2 3.46Å; P27-E29 PolarHBondContact O-N 3.49Å; P27-V30 HydrophobicContact CB-CG2 4.1Å; P27-V30 HydrophobicContact CG-CG2 4.16Å; P27-V30 PolarHBondContact O-N 2.91Å; P27-R31 PolarHBondContact O-N 3.38Å; P27-Y90 HydrophobicContact CB-CD1 3.85Å; P27-Y90 HydrophobicContact CB-CE1 3.74Å; P27-Y90 HydrophobicContact CB-CG 4.31Å; P27-Y90 HydrophobicContact CG-CD1 3.41Å; P27-Y90 VanDerWaalsContact CG-CD1 3.41Å; P27-Y90 HydrophobicContact CG-CE1 3.71Å; P27-Y90 HydrophobicContact CG-CG 4.03Å
28	I	80.1	Confident	76.8	Confident	53 Å²	53	48.5 Å²	48.5	27%	0.272	24%	0.244	S	C	.	.	H	α-helix	trans	-64.8	-28.3	178.4	-163.6	168	0	0	0	111.8	W4 Y22 V30 R31 H32	W4-I28 HydrophobicContact CH2-CD1 4.06Å; W4-I28 HydrophobicContact CH2-CG1 3.67Å; W4-I28 HydrophobicContact CZ2-CG1 4.15Å; Y22-I28 HydrophobicContact CD1-CB 3.94Å; Y22-I28 HydrophobicContact CD1-CG1 4.12Å; Y22-I28 HydrophobicContact CD2-CB 4.14Å; Y22-I28 HydrophobicContact CD2-CD1 3.67Å; Y22-I28 HydrophobicContact CD2-CG1 3.7Å; Y22-I28 HydrophobicContact CE2-CD1 4.25Å; Y22-I28 HydrophobicContact CE2-CG1 4.13Å; Y22-I28 HydrophobicContact CG-CB 3.63Å; Y22-I28 HydrophobicContact CG-CD1 4.08Å; Y22-I28 HydrophobicContact CG-CG1 3.72Å; I28-V30 VanDerWaalsContact C-N 3.35Å; I28-R31 WeakPolarHBondContact O-CB 3.41Å; I28-R31 PolarHBondContact O-N 2.8Å; I28-H32 WeakPolarHBondContact O-CB 3.49Å; I28-H32 PolarHBondContact O-N 2.79Å
29	E	79.3	Confident	77.1	Confident	64 Å²	64	50.6 Å²	50.6	30%	0.299	25%	0.254	S	S	.	.	H	α-helix	trans	-65.1	-40.5	177.2	-61.3	84.2	171.4	0	0	110.7	P27 R31 H32 Y33 Y90	P27-E29 WeakPolarHBondContact CB-OE2 3.46Å; P27-E29 PolarHBondContact O-N 3.49Å; E29-R31 VanDerWaalsContact C-N 3.35Å; E29-R31 PolarHBondContact O-N 2.81Å; E29-H32 PolarHBondContact O-N 3.2Å; E29-H32 VanDerWaalsContact O-N 3.16Å; E29-Y33 HydrophobicContact CB-CD2 4.28Å; E29-Y33 HydrophobicContact CB-CE2 4.27Å; E29-Y33 WeakPolarHBondContact O-CD2 3.35Å; E29-Y33 PolarHBondContact O-N 2.88Å; E29-Y90 HydrophobicContact CB-CD2 4.47Å; E29-Y90 HydrophobicContact CB-CE2 3.82Å; E29-Y90 HydrophobicContact CG-CE2 4.16Å; E29-Y90 PolarHBondContact OE1-OH 3.28Å; E29-Y90 PolarHBondContact OE2-OH 3.02Å
30	V	80.4	Confident	77.4	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63	-44	175.3	173.8	0	0	0	0	110.1	F26 P27 I28 H32 L34 L68 Y90 L94	F26-V30 HydrophobicContact CE1-CG1 4.44Å; F26-V30 HydrophobicContact CE2-CG1 4.12Å; F26-V30 HydrophobicContact CZ-CB 4.43Å; F26-V30 HydrophobicContact CZ-CG1 3.8Å; P27-V30 HydrophobicContact CB-CG2 4.1Å; P27-V30 HydrophobicContact CG-CG2 4.16Å; P27-V30 PolarHBondContact O-N 2.91Å; I28-V30 VanDerWaalsContact C-N 3.35Å; V30-H32 VanDerWaalsContact C-N 3.32Å; V30-H32 PolarHBondContact O-N 3.26Å; V30-L34 WeakPolarHBondContact O-CB 3.31Å; V30-L34 PolarHBondContact O-N 3.26Å; V30-L68 HydrophobicContact CG1-CD1 4.21Å; V30-L68 HydrophobicContact CG1-CD2 4.19Å; V30-L68 HydrophobicContact CG2-CD1 4.17Å; V30-L68 HydrophobicContact CG2-CD2 4.15Å; V30-Y90 HydrophobicContact CG2-CD2 4.22Å; V30-Y90 HydrophobicContact CG2-CG 4.1Å; V30-L94 HydrophobicContact CG1-CD1 4.21Å; V30-L94 HydrophobicContact CG2-CD1 4.25Å
31	R	81.5	Confident	77.6	Confident	1 Å²	1	48 Å²	48	0%	0.004	24%	0.241	C	C	.	.	H	α-helix	trans	-59.1	-43.3	172.6	179.6	73.9	177.4	94.3	-3.1	111.9	W4 Y22 F26 P27 I28 E29 S35 E39 E116	W4-R31 HydrophobicContact CD2-CG 3.93Å; W4-R31 HydrophobicContact CE3-CG 3.52Å; W4-R31 HydrophobicContact CH2-CB 4.31Å; W4-R31 HydrophobicContact CH2-CG 3.72Å; W4-R31 HydrophobicContact CZ2-CG 4.09Å; W4-R31 HydrophobicContact CZ3-CB 4.46Å; W4-R31 HydrophobicContact CZ3-CG 3.43Å; W4-R31 VanDerWaalsContact CZ3-CG 3.43Å; Y22-R31 HydrophobicContact CD1-CB 4.46Å; Y22-R31 HydrophobicContact CE1-CB 3.63Å; Y22-R31 HydrophobicContact CE1-CG 3.9Å; Y22-R31 WeakPolarHBondContact OH-CD 3.48Å; Y22-R31 VanDerWaalsContact OH-CG 3.24Å; Y22-R31 WeakPolarHBondContact OH-CG 3.5Å; F26-R31 HydrophobicContact CE1-CB 4.04Å; P27-R31 PolarHBondContact O-N 3.38Å; I28-R31 WeakPolarHBondContact O-CB 3.41Å; I28-R31 PolarHBondContact O-N 2.8Å; E29-R31 VanDerWaalsContact C-N 3.35Å; E29-R31 PolarHBondContact O-N 2.81Å; R31-S35 VanDerWaalsContact NH1-CA 3.3Å; R31-S35 VanDerWaalsContact NH1-CB 3.3Å; R31-S35 WeakPolarHBondContact O-CA 3.25Å; R31-S35 WeakPolarHBondContact O-CB 3.49Å; R31-S35 PolarHBondContact O-N 2.75Å; R31-E39 IonicContact CZ-OE1 2.98Å; R31-E39 VanDerWaalsContact CZ-OE1 3.31Å; R31-E39 IonicContact NH1-OE1 2.77Å; R31-E39 PolarHBondContact NH1-OE1 3.24Å; R31-E39 IonicContact NH2-OE1 2.62Å; R31-E39 PolarHBondContact NH2-OE1 3.43Å; R31-E116 IonicContact CZ-OE2 2.72Å; R31-E116 IonicContact NE-OE1 2.78Å; R31-E116 PolarHBondContact NE-OE1 3.34Å; R31-E116 IonicContact NE-OE2 2.79Å; R31-E116 PolarHBondContact NE-OE2 3.44Å; R31-E116 IonicContact NH2-OE2 3.41Å; R31-E116 PolarHBondContact NH2-OE2 3Å
32	H	80	Confident	77.6	Confident	82 Å²	82	53.5 Å²	53.5	38%	0.38	27%	0.269	S	S	.	.	H	α-helix	trans	-66.9	-52.6	-175.4	-177.1	92	0	0	0	111.9	W4 Q8 I28 E29 V30 S35	W4-H32 AromaticContact CE2-ND1 3.89Å; W4-H32 HydrophobicContact CZ2-CB 3.84Å; W4-H32 VanDerWaalsContact NE1-CA 3.34Å; W4-H32 AromaticContact NE1-CG 3.62Å; W4-H32 AromaticContact NE1-ND1 3.13Å; W4-H32 PolarHBondContact NE1-ND1 3.49Å; W4-H32 VanDerWaalsContact NE1-ND1 3.13Å; Q8-H32 PolarHBondContact NE2-CE1 3.27Å; Q8-H32 PolarHBondContact NE2-ND1 2.79Å; I28-H32 WeakPolarHBondContact O-CB 3.49Å; I28-H32 PolarHBondContact O-N 2.79Å; E29-H32 PolarHBondContact O-N 3.2Å; E29-H32 VanDerWaalsContact O-N 3.16Å; V30-H32 VanDerWaalsContact C-N 3.32Å; V30-H32 PolarHBondContact O-N 3.26Å; H32-S35 PolarHBondContact O-OG 3.34Å; H32-S35 VanDerWaalsContact O-OG 3.09Å
33	Y	77.5	Confident	77.4	Confident	76 Å²	76	52.9 Å²	52.9	30%	0.298	27%	0.267	S	S	.	.	H	α-helix	trans	-76	-30	-175.6	-68	-67.8	0	0	0	113	E29 K71 L83 L87	E29-Y33 HydrophobicContact CB-CD2 4.28Å; E29-Y33 HydrophobicContact CB-CE2 4.27Å; E29-Y33 WeakPolarHBondContact O-CD2 3.35Å; E29-Y33 PolarHBondContact O-N 2.88Å; Y33-K71 WeakPolarHBondContact O-CE 3.44Å; Y33-K71 PolarHBondContact O-NZ 3.41Å; Y33-L83 HydrophobicContact CD2-CD1 4.16Å; Y33-L83 HydrophobicContact CE1-CD1 4.39Å; Y33-L83 HydrophobicContact CE1-CD2 3.87Å; Y33-L83 HydrophobicContact CE2-CD1 3.42Å; Y33-L83 VanDerWaalsContact CE2-CD1 3.42Å; Y33-L83 HydrophobicContact CE2-CD2 4.39Å; Y33-L87 HydrophobicContact CD2-CD2 4.03Å
34	L	80.3	Confident	77.1	Confident	1 Å²	1	58 Å²	58	1%	0.005	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	20.2	177.5	-66.4	179.9	0	0	0	114.1	V30 Q36 W37 I38 L64 E67 L68 K71	V30-L34 WeakPolarHBondContact O-CB 3.31Å; V30-L34 PolarHBondContact O-N 3.26Å; L34-Q36 VanDerWaalsContact C-N 3.34Å; L34-Q36 PolarHBondContact O-N 3.45Å; L34-W37 PolarHBondContact O-N 2.71Å; L34-I38 HydrophobicContact CB-CD1 3.95Å; L34-I38 HydrophobicContact CB-CG1 4.13Å; L34-I38 WeakPolarHBondContact O-CG1 3.49Å; L34-I38 PolarHBondContact O-N 2.95Å; L34-L64 HydrophobicContact CD1-CD1 3.61Å; L34-E67 HydrophobicContact CD1-CB 4.18Å; L34-E67 HydrophobicContact CD2-CB 3.98Å; L34-L68 HydrophobicContact CD1-CB 4.45Å; L34-L68 HydrophobicContact CD1-CD2 3.42Å; L34-L68 VanDerWaalsContact CD1-CD2 3.42Å; L34-L68 HydrophobicContact CD1-CG 3.48Å; L34-L68 VanDerWaalsContact CD1-CG 3.48Å; L34-L68 HydrophobicContact CG-CD2 4.02Å; L34-K71 HydrophobicContact CD2-CD 3.75Å; L34-K71 HydrophobicContact CD2-CG 4.19Å
35	S	80.1	Confident	77.1	Confident	18 Å²	18	53.1 Å²	53.1	13%	0.126	28%	0.276	C	S	.	.	H	α-helix	trans	-50.7	-47.5	-176.2	46.9	0	0	0	0	114.1	R31 H32 E39	R31-S35 VanDerWaalsContact NH1-CA 3.3Å; R31-S35 VanDerWaalsContact NH1-CB 3.3Å; R31-S35 WeakPolarHBondContact O-CA 3.25Å; R31-S35 WeakPolarHBondContact O-CB 3.49Å; R31-S35 PolarHBondContact O-N 2.75Å; H32-S35 PolarHBondContact O-OG 3.34Å; H32-S35 VanDerWaalsContact O-OG 3.09Å; S35-E39 WeakPolarHBondContact O-CB 3.4Å; S35-E39 VanDerWaalsContact O-CG 3.23Å; S35-E39 WeakPolarHBondContact O-CG 3.41Å; S35-E39 PolarHBondContact O-N 3.43Å; S35-E39 VanDerWaalsContact O-N 3.07Å
36	Q	78.3	Confident	76.8	Confident	147 Å²	147	49.9 Å²	49.9	69%	0.687	26%	0.261	S	S	*	.	H	α-helix	trans	-67.2	-39.5	179	-67.7	-177.9	-8.3	0	0	113.2	L34 S40	L34-Q36 VanDerWaalsContact C-N 3.34Å; L34-Q36 PolarHBondContact O-N 3.45Å; Q36-S40 WeakPolarHBondContact O-CB 3.42Å; Q36-S40 PolarHBondContact O-N 3.45Å; Q36-S40 PolarHBondContact O-OG 3.47Å
37	W	82.3	Confident	76	Confident	37 Å²	37	53.9 Å²	53.9	14%	0.14	28%	0.282	C	S	.	.	H	α-helix	trans	-67.8	-48.8	179.3	-176.5	88.3	0	0	0	110.4	L34 E39 S40 Q41 W43 S63 L64 E67	L34-W37 PolarHBondContact O-N 2.71Å; W37-E39 VanDerWaalsContact C-N 3.33Å; W37-E39 PolarHBondContact O-N 3.28Å; W37-S40 PolarHBondContact O-N 3.27Å; W37-S40 VanDerWaalsContact O-N 3.12Å; W37-S40 PolarHBondContact O-OG 3.2Å; W37-Q41 HydrophobicContact CD2-CG 4.38Å; W37-Q41 HydrophobicContact CE3-CG 4.33Å; W37-Q41 HydrophobicContact CH2-CG 4.12Å; W37-Q41 HydrophobicContact CZ2-CG 4.15Å; W37-Q41 HydrophobicContact CZ3-CG 4.2Å; W37-Q41 WeakPolarHBondContact O-CG 3.48Å; W37-Q41 PolarHBondContact O-N 2.8Å; W37-W43 HydrophobicContact CZ3-CH2 4.48Å; W37-W43 HydrophobicContact CZ3-CZ2 4.3Å; W37-S63 WeakPolarHBondContact CZ2-OG 3.43Å; W37-L64 HydrophobicContact CE3-CD1 3.83Å; W37-L64 HydrophobicContact CH2-CB 3.8Å; W37-L64 HydrophobicContact CH2-CD1 4.34Å; W37-L64 HydrophobicContact CZ3-CB 3.76Å; W37-L64 HydrophobicContact CZ3-CD1 3.44Å; W37-L64 VanDerWaalsContact CZ3-CD1 3.44Å; W37-L64 HydrophobicContact CZ3-CG 4.18Å; W37-E67 HydrophobicContact CD2-CG 4.33Å; W37-E67 HydrophobicContact CG-CG 4.28Å
38	I	81.8	Confident	75.1	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-59.3	-43.7	179.9	-65.8	167.2	0	0	0	110.6	F26 L34 S40 Q41 W43 L64 I109 L113	F26-I38 HydrophobicContact CZ-CD1 3.99Å; L34-I38 HydrophobicContact CB-CD1 3.95Å; L34-I38 HydrophobicContact CB-CG1 4.13Å; L34-I38 WeakPolarHBondContact O-CG1 3.49Å; L34-I38 PolarHBondContact O-N 2.95Å; I38-S40 VanDerWaalsContact C-N 3.29Å; I38-S40 PolarHBondContact O-N 3.46Å; I38-Q41 PolarHBondContact O-N 2.9Å; I38-W43 HydrophobicContact CG2-CZ2 4.41Å; I38-W43 PolarHBondContact O-NE1 2.85Å; I38-L64 HydrophobicContact CG1-CD1 4.36Å; I38-I109 HydrophobicContact CG2-CG2 3.94Å; I38-L113 HydrophobicContact CG2-CD1 4.26Å; I38-L113 HydrophobicContact CG2-CD2 4.46Å
39	E	80.3	Confident	73.9	Confident	54 Å²	54	61.5 Å²	61.5	25%	0.252	32%	0.318	S	S	.	.	H	α-helix	trans	-72.1	-20.2	-179.5	-70.8	171.3	-153.9	0	0	113.6	A2 V3 W4 R31 S35 W37 L113	A2-E39 WeakPolarHBondContact CA-OE2 3.34Å; A2-E39 WeakPolarHBondContact CB-OE2 3.37Å; V3-E39 PolarHBondContact N-OE1 3.24Å; V3-E39 PolarHBondContact N-OE2 2.96Å; W4-E39 WeakPolarHBondContact CB-OE1 3.25Å; W4-E39 PolarHBondContact N-OE1 2.99Å; R31-E39 IonicContact CZ-OE1 2.98Å; R31-E39 VanDerWaalsContact CZ-OE1 3.31Å; R31-E39 IonicContact NH1-OE1 2.77Å; R31-E39 PolarHBondContact NH1-OE1 3.24Å; R31-E39 IonicContact NH2-OE1 2.62Å; R31-E39 PolarHBondContact NH2-OE1 3.43Å; S35-E39 WeakPolarHBondContact O-CB 3.4Å; S35-E39 VanDerWaalsContact O-CG 3.23Å; S35-E39 WeakPolarHBondContact O-CG 3.41Å; S35-E39 PolarHBondContact O-N 3.43Å; S35-E39 VanDerWaalsContact O-N 3.07Å; W37-E39 VanDerWaalsContact C-N 3.33Å; W37-E39 PolarHBondContact O-N 3.28Å; E39-L113 HydrophobicContact CG-CD2 4.42Å
40	S	78.6	Confident	73	Confident	78 Å²	78	61.9 Å²	61.9	55%	0.545	32%	0.322	S	S	.	.	H	α-helix	trans	-83.3	-13.4	177.8	70.3	0	0	0	0	114.2	Q36 W37 I38	Q36-S40 WeakPolarHBondContact O-CB 3.42Å; Q36-S40 PolarHBondContact O-N 3.45Å; Q36-S40 PolarHBondContact O-OG 3.47Å; W37-S40 PolarHBondContact O-N 3.27Å; W37-S40 VanDerWaalsContact O-N 3.12Å; W37-S40 PolarHBondContact O-OG 3.2Å; I38-S40 VanDerWaalsContact C-N 3.29Å; I38-S40 PolarHBondContact O-N 3.46Å
41	Q	77.6	Confident	72.1	Confident	55 Å²	55	66.4 Å²	66.4	26%	0.257	35%	0.351	S	S	.	.	S	Bend	trans	-82.6	139.8	179.3	-56.7	-50.2	-51.2	0	0	111.5	W37 I38 W43 L60	W37-Q41 HydrophobicContact CD2-CG 4.38Å; W37-Q41 HydrophobicContact CE3-CG 4.33Å; W37-Q41 HydrophobicContact CH2-CG 4.12Å; W37-Q41 HydrophobicContact CZ2-CG 4.15Å; W37-Q41 HydrophobicContact CZ3-CG 4.2Å; W37-Q41 WeakPolarHBondContact O-CG 3.48Å; W37-Q41 PolarHBondContact O-N 2.8Å; I38-Q41 PolarHBondContact O-N 2.9Å; Q41-W43 VanDerWaalsContact C-N 3.29Å; Q41-W43 HydrophobicContact CB-CD2 4.27Å; Q41-W43 HydrophobicContact CB-CZ2 3.87Å; Q41-W43 HydrophobicContact CG-CZ2 4.04Å; Q41-W43 VanDerWaalsContact O-CD1 3.24Å; Q41-W43 PolarHBondContact O-N 3.21Å; Q41-L60 HydrophobicContact CG-CD2 4.37Å
42	L	71.8	Confident	71.1	Confident	142 Å²	142	74.6 Å²	74.6	74%	0.743	39%	0.389	S	S	*	.			trans	-83	68.9	178.8	-66.7	170.6	0	0	0	111.3	D44 A45	L42-D44 PolarHBondContact O-N 3.45Å; L42-A45 HydrophobicContact CB-CB 4.12Å; L42-A45 PolarHBondContact O-N 2.84Å; L42-A45 VanDerWaalsContact O-N 3.16Å
43	W	74	Confident	70.3	Confident	9 Å²	9	72.1 Å²	72.1	3%	0.034	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-61	-25.6	178.4	-55.1	103.8	0	0	0	113.2	W37 I38 Q41 A45 L60 V106 I109 K110	W37-W43 HydrophobicContact CZ3-CH2 4.48Å; W37-W43 HydrophobicContact CZ3-CZ2 4.3Å; I38-W43 HydrophobicContact CG2-CZ2 4.41Å; I38-W43 PolarHBondContact O-NE1 2.85Å; Q41-W43 VanDerWaalsContact C-N 3.29Å; Q41-W43 HydrophobicContact CB-CD2 4.27Å; Q41-W43 HydrophobicContact CB-CZ2 3.87Å; Q41-W43 HydrophobicContact CG-CZ2 4.04Å; Q41-W43 VanDerWaalsContact O-CD1 3.24Å; Q41-W43 PolarHBondContact O-N 3.21Å; W43-A45 VanDerWaalsContact C-N 3.32Å; W43-L60 HydrophobicContact CE3-CD1 4.2Å; W43-L60 HydrophobicContact CH2-CB 4.38Å; W43-L60 HydrophobicContact CZ3-CB 4.19Å; W43-L60 HydrophobicContact CZ3-CD1 3.86Å; W43-V106 HydrophobicContact CE3-CG1 4.23Å; W43-V106 HydrophobicContact CE3-CG2 4.21Å; W43-V106 HydrophobicContact CZ3-CG2 4.15Å; W43-I109 HydrophobicContact CD2-CG2 3.99Å; W43-I109 HydrophobicContact CG-CG2 4.31Å; W43-I109 HydrophobicContact CH2-CD1 3.69Å; W43-I109 HydrophobicContact CZ2-CD1 3.95Å; W43-I109 HydrophobicContact CZ2-CG2 4.08Å; W43-I109 HydrophobicContact CZ3-CD1 4.11Å; W43-K110 HydrophobicContact CB-CD 4.28Å; W43-K110 HydrophobicContact CB-CG 3.74Å; W43-K110 WeakPolarHBondContact O-CD 3.37Å; W43-K110 VanDerWaalsContact O-CE 3.31Å; W43-K110 WeakPolarHBondContact O-CE 3.12Å; W43-K110 PolarHBondContact O-NZ 2.93Å
44	D	64.2	Low	69.9	Low	138 Å²	138	72.5 Å²	72.5	74%	0.738	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-75.2	-18	178.5	-69.8	-37	0	0	0	114.3	L42 I46 K110	L42-D44 PolarHBondContact O-N 3.45Å; D44-I46 VanDerWaalsContact C-N 3.25Å; D44-I46 PolarHBondContact O-N 3.31Å; D44-K110 WeakPolarHBondContact OD1-CE 3.38Å; D44-K110 IonicContact OD1-NZ 3.76Å
45	A	62.6	Low	69.6	Low	69 Å²	69	80 Å²	80	57%	0.57	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-82.9	-0.6	177.7	0	0	0	0	0	113.5	L42 W43	L42-A45 HydrophobicContact CB-CB 4.12Å; L42-A45 PolarHBondContact O-N 2.84Å; L42-A45 VanDerWaalsContact O-N 3.16Å; W43-A45 VanDerWaalsContact C-N 3.32Å
46	I	65.2	Low	69.3	Low	12 Å²	12	84.1 Å²	84.1	6%	0.062	43%	0.431	C	S	.	.	S	Bend	trans	-101	117.7	178	-56.1	173.6	0	0	0	109	D44 E53 L60 V106	D44-I46 VanDerWaalsContact C-N 3.25Å; D44-I46 PolarHBondContact O-N 3.31Å; I46-E53 VanDerWaalsContact CA-OE2 3.26Å; I46-E53 WeakPolarHBondContact CA-OE2 3.47Å; I46-E53 HydrophobicContact CG2-CB 4.26Å; I46-L60 HydrophobicContact CD1-CD1 3.36Å; I46-V106 HydrophobicContact CB-CG1 4.29Å; I46-V106 HydrophobicContact CD1-CG1 4.22Å; I46-V106 HydrophobicContact CD1-CG2 4.18Å; I46-V106 HydrophobicContact CG2-CG1 4.34Å
47	D	60.2	Low	69.1	Low	86 Å²	86	77.1 Å²	77.1	46%	0.46	40%	0.398	S	S	.	.			trans	-80.5	121.3	175.6	-167.9	-8	0	0	0	110.1	E49 N50 E53	D47-E49 PolarHBondContact O-N 3.33Å; D47-E49 PolarHBondContact OD1-N 3.44Å; D47-N50 HydrophobicContact CB-CB 4.3Å; D47-E53 PolarHBondContact N-OE2 2.88Å
48	L	60.3	Low	68.9	Low	44 Å²	44	79.1 Å²	79.1	23%	0.23	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-7	-173.8	-67	172.2	0	0	0	113.1	V106 R107	L48-V106 HydrophobicContact CD2-CB 4.35Å; L48-V106 HydrophobicContact CD2-CG1 4.05Å; L48-R107 HydrophobicContact CD1-CG 3.72Å; L48-R107 HydrophobicContact CD2-CG 3.54Å; L48-R107 HydrophobicContact CG-CG 4.18Å; L48-R107 PolarHBondContact O-NH2 3.43Å
49	E	55.7	Low	68.9	Low	178 Å²	178	87.5 Å²	87.5	83%	0.832	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-9.6	-179.4	-61.2	-166.5	163.8	0	0	113.3	D47 P51	D47-E49 PolarHBondContact O-N 3.33Å; D47-E49 PolarHBondContact OD1-N 3.44Å; E49-P51 WeakPolarHBondContact O-CD 3.49Å
50	N	61.3	Low	68.9	Low	72 Å²	72	86 Å²	86	39%	0.385	43%	0.433	S	S	.	.			trans	-102.1	111.1	-176.1	-161.5	-11.9	0	0	0	112.1	D47 Q52 E53	D47-N50 HydrophobicContact CB-CB 4.3Å; N50-Q52 PolarHBondContact O-N 2.94Å; N50-Q52 VanDerWaalsContact O-N 3.07Å; N50-E53 HydrophobicContact CB-CG 4.38Å; N50-E53 PolarHBondContact O-N 3.04Å; N50-E53 VanDerWaalsContact O-N 3.1Å
51	P	61	Low	69	Low	95 Å²	95	82.3 Å²	82.3	62%	0.617	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-61.5	-21	-176.4	-21.5	31.8	0	0	0	114.4	E49 E53 E54	E49-P51 WeakPolarHBondContact O-CD 3.49Å; P51-E53 PolarHBondContact O-N 3.46Å; P51-E54 WeakPolarHBondContact O-CB 3.43Å; P51-E54 PolarHBondContact O-N 3.31Å
52	Q	59.4	Low	69.3	Low	173 Å²	173	83.2 Å²	83.2	81%	0.808	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-73.6	-14.2	179.1	-63.1	-143.3	-21.7	0	0	113.6	N50	N50-Q52 PolarHBondContact O-N 2.94Å; N50-Q52 VanDerWaalsContact O-N 3.07Å
53	E	63.8	Low	69.9	Low	29 Å²	29	78.4 Å²	78.4	14%	0.136	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-90.5	-3.3	177.1	-57.1	-141.2	133.9	0	0	113.5	I46 D47 N50 P51 F55 K56 A57	I46-E53 VanDerWaalsContact CA-OE2 3.26Å; I46-E53 WeakPolarHBondContact CA-OE2 3.47Å; I46-E53 HydrophobicContact CG2-CB 4.26Å; D47-E53 PolarHBondContact N-OE2 2.88Å; N50-E53 HydrophobicContact CB-CG 4.38Å; N50-E53 PolarHBondContact O-N 3.04Å; N50-E53 VanDerWaalsContact O-N 3.1Å; P51-E53 PolarHBondContact O-N 3.46Å; E53-F55 PolarHBondContact O-N 3.27Å; E53-K56 WeakPolarHBondContact O-CB 3.41Å; E53-K56 PolarHBondContact O-N 3.26Å; E53-K56 IonicContact OE1-NZ 2.66Å; E53-K56 PolarHBondContact OE1-NZ 2.89Å; E53-A57 PolarHBondContact O-N 3.33Å
54	E	68.9	Low	70.2	Confident	84 Å²	84	78 Å²	78	39%	0.393	39%	0.39	S	S	.	.	H	α-helix	trans	-58.4	-32.7	173.4	-170.4	173.6	-166.3	0	0	111.9	P51 K56 A57 K58 P102 L103	P51-E54 WeakPolarHBondContact O-CB 3.43Å; P51-E54 PolarHBondContact O-N 3.31Å; E54-K56 PolarHBondContact O-N 3.4Å; E54-A57 PolarHBondContact O-N 3.2Å; E54-K58 WeakPolarHBondContact O-CB 3.4Å; E54-K58 PolarHBondContact O-N 3.47Å; E54-P102 HydrophobicContact CG-CG 4.43Å; E54-L103 HydrophobicContact CB-CD1 4.31Å; E54-L103 HydrophobicContact CB-CG 4.39Å; E54-L103 HydrophobicContact CG-CD1 4.47Å; E54-L103 HydrophobicContact CG-CG 4.36Å
55	F	73.7	Confident	71.2	Confident	160 Å²	160	71.9 Å²	71.9	70%	0.702	36%	0.358	S	S	*	.	H	α-helix	trans	-65.5	-36.6	173.8	-174.5	-99.2	0	0	0	112.6	E53 K58 R59	E53-F55 PolarHBondContact O-N 3.27Å; F55-K58 PolarHBondContact O-N 3.3Å; F55-R59 PolarHBondContact O-N 3.24Å
56	K	73.7	Confident	72.2	Confident	104 Å²	104	74 Å²	74	45%	0.452	36%	0.356	S	S	.	.	H	α-helix	trans	-69.3	-40.8	175.2	-63.8	177.8	-177.2	170.5	0	110.6	E53 E54 R59 L60	E53-K56 WeakPolarHBondContact O-CB 3.41Å; E53-K56 PolarHBondContact O-N 3.26Å; E53-K56 IonicContact OE1-NZ 2.66Å; E53-K56 PolarHBondContact OE1-NZ 2.89Å; E54-K56 PolarHBondContact O-N 3.4Å; K56-R59 PolarHBondContact O-N 2.69Å; K56-L60 WeakPolarHBondContact O-CG 3.45Å; K56-L60 PolarHBondContact O-N 2.95Å
57	A	74	Confident	73	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-63.8	-40.7	174.8	0	0	0	0	0	112	E53 E54 L60 L61 P102 L103 V106	E53-A57 PolarHBondContact O-N 3.33Å; E54-A57 PolarHBondContact O-N 3.2Å; A57-L60 PolarHBondContact O-N 2.98Å; A57-L61 PolarHBondContact O-N 2.9Å; A57-P102 HydrophobicContact CB-CB 3.9Å; A57-L103 HydrophobicContact CB-CD2 3.95Å; A57-V106 HydrophobicContact CB-CG2 3.81Å
58	K	79.5	Confident	74	Confident	78 Å²	78	72.2 Å²	72.2	34%	0.339	34%	0.344	S	S	.	.	H	α-helix	trans	-63.6	-43.5	174.5	-169.9	164.2	-173	147.7	0	112.2	E54 F55 L60 L61 D62 D99 P102	E54-K58 WeakPolarHBondContact O-CB 3.4Å; E54-K58 PolarHBondContact O-N 3.47Å; F55-K58 PolarHBondContact O-N 3.3Å; K58-L60 VanDerWaalsContact C-N 3.27Å; K58-L60 PolarHBondContact O-N 2.86Å; K58-L61 WeakPolarHBondContact O-CB 3.41Å; K58-L61 PolarHBondContact O-N 2.9Å; K58-D62 PolarHBondContact O-N 2.84Å; K58-D99 WeakPolarHBondContact CE-OD1 3.38Å; K58-D99 IonicContact NZ-OD1 2.88Å; K58-D99 PolarHBondContact NZ-OD1 3.34Å; K58-P102 HydrophobicContact CB-CB 4.27Å; K58-P102 HydrophobicContact CB-CG 4.06Å; K58-P102 HydrophobicContact CG-CG 4.4Å
59	R	81.9	Confident	74.9	Confident	178 Å²	178	74.3 Å²	74.3	67%	0.672	35%	0.353	S	S	*	.	H	α-helix	trans	-60.8	-35.9	175.2	-161.1	-178	83.6	173.6	6.3	112.5	F55 K56 S63	F55-R59 PolarHBondContact O-N 3.24Å; K56-R59 PolarHBondContact O-N 2.69Å; R59-S63 WeakPolarHBondContact O-CB 3.49Å; R59-S63 PolarHBondContact O-N 3.32Å
60	L	80.3	Confident	76.2	Confident	22 Å²	22	68.4 Å²	68.4	12%	0.115	33%	0.327	C	S	.	.	H	α-helix	trans	-72	-37.4	175.8	-73.5	170.6	0	0	0	112.4	Q41 W43 I46 K56 A57 K58 S63 L64	Q41-L60 HydrophobicContact CG-CD2 4.37Å; W43-L60 HydrophobicContact CE3-CD1 4.2Å; W43-L60 HydrophobicContact CH2-CB 4.38Å; W43-L60 HydrophobicContact CZ3-CB 4.19Å; W43-L60 HydrophobicContact CZ3-CD1 3.86Å; I46-L60 HydrophobicContact CD1-CD1 3.36Å; K56-L60 WeakPolarHBondContact O-CG 3.45Å; K56-L60 PolarHBondContact O-N 2.95Å; A57-L60 PolarHBondContact O-N 2.98Å; K58-L60 VanDerWaalsContact C-N 3.27Å; K58-L60 PolarHBondContact O-N 2.86Å; L60-S63 PolarHBondContact O-N 3.14Å; L60-L64 WeakPolarHBondContact O-CB 3.49Å; L60-L64 PolarHBondContact O-N 2.95Å
61	L	80.9	Confident	76.9	Confident	1 Å²	1	69 Å²	69	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-61.8	-47.3	172.1	172.9	63.5	0	0	0	111	A57 K58 S63 L64 I65 L105	A57-L61 PolarHBondContact O-N 2.9Å; K58-L61 WeakPolarHBondContact O-CB 3.41Å; K58-L61 PolarHBondContact O-N 2.9Å; L61-S63 VanDerWaalsContact C-N 3.33Å; L61-S63 PolarHBondContact O-N 2.9Å; L61-L64 PolarHBondContact O-N 3Å; L61-I65 HydrophobicContact CD1-CD1 3.88Å; L61-I65 HydrophobicContact CD1-CG1 4.31Å; L61-I65 HydrophobicContact CG-CD1 3.98Å; L61-I65 VanDerWaalsContact O-CG1 3.31Å; L61-I65 WeakPolarHBondContact O-CG1 3.22Å; L61-I65 PolarHBondContact O-N 3.1Å; L61-L105 HydrophobicContact CB-CD2 3.93Å; L61-L105 HydrophobicContact CD1-CD2 3.72Å; L61-L105 HydrophobicContact CG-CD2 4.37Å
62	D	83.1	Confident	77.5	Confident	74 Å²	74	64.8 Å²	64.8	40%	0.396	30%	0.299	S	S	.	.	H	α-helix	trans	-62.8	-40.9	177.9	-71	-33.8	0	0	0	111.5	K58 I65 Q66	K58-D62 PolarHBondContact O-N 2.84Å; D62-I65 PolarHBondContact O-N 3.12Å; D62-Q66 WeakPolarHBondContact O-CB 3.32Å; D62-Q66 PolarHBondContact O-N 3.11Å
63	S	83.4	Confident	78.2	Confident	40 Å²	40	62.7 Å²	62.7	28%	0.28	29%	0.29	S	S	.	.	H	α-helix	trans	-66.9	-36.9	175.9	-167.5	0	0	0	0	112.7	W37 R59 L60 L61 Q66 E67	W37-S63 WeakPolarHBondContact CZ2-OG 3.43Å; R59-S63 WeakPolarHBondContact O-CB 3.49Å; R59-S63 PolarHBondContact O-N 3.32Å; L60-S63 PolarHBondContact O-N 3.14Å; L61-S63 VanDerWaalsContact C-N 3.33Å; L61-S63 PolarHBondContact O-N 2.9Å; S63-Q66 PolarHBondContact O-N 3.34Å; S63-E67 WeakPolarHBondContact O-CG 3.29Å; S63-E67 PolarHBondContact O-N 2.96Å
64	L	82.2	Confident	78.5	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-65	-42.8	175.3	177.6	70.2	0	0	0	111	L34 W37 I38 L60 L61 E67 L68 L94 L105	L34-L64 HydrophobicContact CD1-CD1 3.61Å; W37-L64 HydrophobicContact CE3-CD1 3.83Å; W37-L64 HydrophobicContact CH2-CB 3.8Å; W37-L64 HydrophobicContact CH2-CD1 4.34Å; W37-L64 HydrophobicContact CZ3-CB 3.76Å; W37-L64 HydrophobicContact CZ3-CD1 3.44Å; W37-L64 VanDerWaalsContact CZ3-CD1 3.44Å; W37-L64 HydrophobicContact CZ3-CG 4.18Å; I38-L64 HydrophobicContact CG1-CD1 4.36Å; L60-L64 WeakPolarHBondContact O-CB 3.49Å; L60-L64 PolarHBondContact O-N 2.95Å; L61-L64 PolarHBondContact O-N 3Å; L64-E67 PolarHBondContact O-N 2.89Å; L64-L68 WeakPolarHBondContact O-CG 3.27Å; L64-L68 PolarHBondContact O-N 2.92Å; L64-L94 HydrophobicContact CD2-CD1 4.14Å; L64-L105 HydrophobicContact CD2-CD2 4.28Å
65	I	83.6	Confident	78.1	Confident	11 Å²	11	68.2 Å²	68.2	6%	0.056	32%	0.315	C	S	.	.	H	α-helix	trans	-63.5	-43.7	176.7	-69.7	163.9	0	0	0	110.4	L61 D62 L68 Q69 A91 K95	L61-I65 HydrophobicContact CD1-CD1 3.88Å; L61-I65 HydrophobicContact CD1-CG1 4.31Å; L61-I65 HydrophobicContact CG-CD1 3.98Å; L61-I65 VanDerWaalsContact O-CG1 3.31Å; L61-I65 WeakPolarHBondContact O-CG1 3.22Å; L61-I65 PolarHBondContact O-N 3.1Å; D62-I65 PolarHBondContact O-N 3.12Å; I65-L68 PolarHBondContact O-N 2.74Å; I65-Q69 WeakPolarHBondContact O-CG 3.34Å; I65-Q69 PolarHBondContact O-N 2.66Å; I65-A91 HydrophobicContact CG2-CB 4.35Å; I65-K95 HydrophobicContact CD1-CB 3.69Å; I65-K95 HydrophobicContact CD1-CD 4.25Å; I65-K95 HydrophobicContact CD1-CG 3.92Å
66	Q	84.1	Confident	77.2	Confident	114 Å²	114	67.3 Å²	67.3	53%	0.533	32%	0.323	S	S	.	.	H	α-helix	trans	-63.9	-41.2	178.8	-168.9	176.4	8.2	0	0	111.9	D62 S63 Q69 N70	D62-Q66 WeakPolarHBondContact O-CB 3.32Å; D62-Q66 PolarHBondContact O-N 3.11Å; S63-Q66 PolarHBondContact O-N 3.34Å; Q66-Q69 PolarHBondContact O-N 2.93Å; Q66-N70 WeakPolarHBondContact O-CB 3.26Å; Q66-N70 PolarHBondContact O-N 3.38Å; Q66-N70 PolarHBondContact O-ND2 3.37Å
67	E	81.1	Confident	76.5	Confident	59 Å²	59	64.6 Å²	64.6	28%	0.276	32%	0.324	S	S	.	.	H	α-helix	trans	-66.6	-36.7	175.2	-75.3	-63.5	139.2	0	0	112.8	L34 W37 S63 L64 K71	L34-E67 HydrophobicContact CD1-CB 4.18Å; L34-E67 HydrophobicContact CD2-CB 3.98Å; W37-E67 HydrophobicContact CD2-CG 4.33Å; W37-E67 HydrophobicContact CG-CG 4.28Å; S63-E67 WeakPolarHBondContact O-CG 3.29Å; S63-E67 PolarHBondContact O-N 2.96Å; L64-E67 PolarHBondContact O-N 2.89Å; E67-K71 WeakPolarHBondContact O-CB 3.34Å; E67-K71 WeakPolarHBondContact O-CG 3.34Å; E67-K71 PolarHBondContact O-N 3.47Å
68	L	81.3	Confident	75.5	Confident	1 Å²	1	73.9 Å²	73.9	1%	0.005	37%	0.367	C	S	.	.	H	α-helix	trans	-63.6	-42.5	172.4	-78	174.8	0	0	0	111.9	V30 L34 L64 I65 K71 A72 L87 A91 L94	V30-L68 HydrophobicContact CG1-CD1 4.21Å; V30-L68 HydrophobicContact CG1-CD2 4.19Å; V30-L68 HydrophobicContact CG2-CD1 4.17Å; V30-L68 HydrophobicContact CG2-CD2 4.15Å; L34-L68 HydrophobicContact CD1-CB 4.45Å; L34-L68 HydrophobicContact CD1-CD2 3.42Å; L34-L68 VanDerWaalsContact CD1-CD2 3.42Å; L34-L68 HydrophobicContact CD1-CG 3.48Å; L34-L68 VanDerWaalsContact CD1-CG 3.48Å; L34-L68 HydrophobicContact CG-CD2 4.02Å; L64-L68 WeakPolarHBondContact O-CG 3.27Å; L64-L68 PolarHBondContact O-N 2.92Å; I65-L68 PolarHBondContact O-N 2.74Å; L68-K71 PolarHBondContact O-N 2.96Å; L68-A72 WeakPolarHBondContact O-CB 3.44Å; L68-A72 PolarHBondContact O-N 3.35Å; L68-L87 HydrophobicContact CD2-CD2 4.05Å; L68-A91 HydrophobicContact CB-CB 4.24Å; L68-A91 HydrophobicContact CD1-CB 4.34Å; L68-L94 HydrophobicContact CD1-CD1 3.78Å
69	Q	80.7	Confident	74.4	Confident	87 Å²	87	76.7 Å²	76.7	41%	0.407	39%	0.386	S	S	.	.	H	α-helix	trans	-67.1	-45.5	177.7	-73	174.7	-16.4	0	0	111.4	I65 Q66 K71 A72 E73 A91	I65-Q69 WeakPolarHBondContact O-CG 3.34Å; I65-Q69 PolarHBondContact O-N 2.66Å; Q66-Q69 PolarHBondContact O-N 2.93Å; Q69-K71 VanDerWaalsContact C-N 3.32Å; Q69-K71 PolarHBondContact O-N 2.82Å; Q69-A72 WeakPolarHBondContact O-CB 3.44Å; Q69-A72 PolarHBondContact O-N 3.48Å; Q69-A72 VanDerWaalsContact O-N 3.11Å; Q69-E73 WeakPolarHBondContact O-CG 3.3Å; Q69-E73 PolarHBondContact O-N 3.29Å; Q69-A91 HydrophobicContact CG-CB 4.4Å
70	N	81.5	Confident	73.5	Confident	55 Å²	55	68.6 Å²	68.6	29%	0.294	36%	0.358	S	S	.	.	H	α-helix	trans	-57.6	-44.9	174.5	-73.2	-16.6	0	0	0	111	Q66 A72 E73 H74	Q66-N70 WeakPolarHBondContact O-CB 3.26Å; Q66-N70 PolarHBondContact O-N 3.38Å; Q66-N70 PolarHBondContact O-ND2 3.37Å; N70-A72 PolarHBondContact O-N 2.91Å; N70-E73 PolarHBondContact O-N 3.34Å; N70-H74 PolarHBondContact O-N 2.87Å; N70-H74 VanDerWaalsContact O-N 3.16Å; N70-H74 PolarHBondContact O-ND1 3.49Å
71	K	77.1	Confident	72.9	Confident	83 Å²	83	74.2 Å²	74.2	36%	0.361	38%	0.381	S	S	.	.	H	α-helix	trans	-67.6	-32.3	176.3	-77.3	-149.3	175.2	-164	0	113.6	Y33 L34 E67 L68 Q69 E73 Q75	Y33-K71 WeakPolarHBondContact O-CE 3.44Å; Y33-K71 PolarHBondContact O-NZ 3.41Å; L34-K71 HydrophobicContact CD2-CD 3.75Å; L34-K71 HydrophobicContact CD2-CG 4.19Å; E67-K71 WeakPolarHBondContact O-CB 3.34Å; E67-K71 WeakPolarHBondContact O-CG 3.34Å; E67-K71 PolarHBondContact O-N 3.47Å; L68-K71 PolarHBondContact O-N 2.96Å; Q69-K71 VanDerWaalsContact C-N 3.32Å; Q69-K71 PolarHBondContact O-N 2.82Å; K71-E73 VanDerWaalsContact C-N 3.32Å; K71-Q75 VanDerWaalsContact O-CG 3.27Å; K71-Q75 WeakPolarHBondContact O-CG 3.36Å
72	A	73.8	Confident	72.5	Confident	7 Å²	7	77.6 Å²	77.6	6%	0.058	40%	0.399	C	S	.	.	H	α-helix	trans	-68.1	-32.8	174.1	0	0	0	0	0	112	L68 Q69 N70 K84 L87	L68-A72 WeakPolarHBondContact O-CB 3.44Å; L68-A72 PolarHBondContact O-N 3.35Å; Q69-A72 WeakPolarHBondContact O-CB 3.44Å; Q69-A72 PolarHBondContact O-N 3.48Å; Q69-A72 VanDerWaalsContact O-N 3.11Å; N70-A72 PolarHBondContact O-N 2.91Å; A72-K84 HydrophobicContact CB-CG 4.28Å; A72-K84 WeakPolarHBondContact O-CD 3.33Å; A72-K84 WeakPolarHBondContact O-CG 3.49Å; A72-L87 HydrophobicContact CB-CB 3.93Å; A72-L87 HydrophobicContact CB-CD1 4.41Å
73	E	73.8	Confident	72	Confident	130 Å²	130	75.2 Å²	75.2	61%	0.607	39%	0.387	S	S	*	.	H	α-helix	trans	-76.8	-30.8	178.8	-72.3	-179	174	0	0	113.7	Q69 N70 K71 Q75	Q69-E73 WeakPolarHBondContact O-CG 3.3Å; Q69-E73 PolarHBondContact O-N 3.29Å; N70-E73 PolarHBondContact O-N 3.34Å; K71-E73 VanDerWaalsContact C-N 3.32Å; E73-Q75 VanDerWaalsContact C-N 3.34Å; E73-Q75 PolarHBondContact O-N 2.89Å
74	H	69.6	Low	71.7	Confident	155 Å²	155	78 Å²	78	72%	0.718	39%	0.394	S	S	*	.	S	Bend	trans	-82.2	-3.4	-178.6	-74.5	76.1	0	0	0	114.7	N70	N70-H74 PolarHBondContact O-N 2.87Å; N70-H74 VanDerWaalsContact O-N 3.16Å; N70-H74 PolarHBondContact O-ND1 3.49Å
75	Q	61.9	Low	71.6	Confident	74 Å²	74	82.5 Å²	82.5	35%	0.346	42%	0.417	S	S	.	.			trans	-89.5	113.9	178.4	-68.4	-82.2	-7.6	0	0	110.5	K71 E73 L83	K71-Q75 VanDerWaalsContact O-CG 3.27Å; K71-Q75 WeakPolarHBondContact O-CG 3.36Å; E73-Q75 VanDerWaalsContact C-N 3.34Å; E73-Q75 PolarHBondContact O-N 2.89Å; Q75-L83 HydrophobicContact CG-CD2 4.15Å
76	V	54.6	Low	71.4	Confident	141 Å²	141	86.2 Å²	86.2	86%	0.855	43%	0.432	S	S	*	.			trans	-123.4	120.8	177.8	-174.5	0	0	0	0	109.9
77	G	57.4	Low	71.1	Confident	47 Å²	47	80.9 Å²	80.9	49%	0.485	41%	0.407	S	S	.	.	S	Bend	trans	150.4	167	179.8	0	0	0	0	0	112.7	D79 G80 F81	G77-D79 PolarHBondContact O-N 3.44Å; G77-G80 WeakPolarHBondContact O-CA 3.47Å; G77-G80 PolarHBondContact O-N 3.44Å; G77-F81 PolarHBondContact O-N 3.19Å
78	E	53.6	Low	71.1	Confident	195 Å²	195	79.2 Å²	79.2	91%	0.911	41%	0.406	S	S	*	.	H	α-helix	trans	-59.7	-41.1	179.6	-76.2	-171.9	153.4	0	0	112.5	G80	E78-G80 VanDerWaalsContact C-N 3.31Å; E78-G80 PolarHBondContact O-N 2.91Å
79	D	56	Low	71.1	Confident	137 Å²	137	84.9 Å²	84.9	73%	0.733	43%	0.432	S	S	*	.	H	α-helix	trans	-73.6	-22.5	172.2	-72.2	-32.8	0	0	0	113.2	G77	G77-D79 PolarHBondContact O-N 3.44Å
80	G	62.5	Low	71.1	Confident	7 Å²	7	82.2 Å²	82.2	7%	0.072	42%	0.419	C	S	.	.	H	α-helix	trans	-72.2	-27.1	178.4	0	0	0	0	0	113.2	G77 E78 L83 K84	G77-G80 WeakPolarHBondContact O-CA 3.47Å; G77-G80 PolarHBondContact O-N 3.44Å; E78-G80 VanDerWaalsContact C-N 3.31Å; E78-G80 PolarHBondContact O-N 2.91Å; G80-L83 PolarHBondContact O-N 3.25Å; G80-K84 VanDerWaalsContact O-CB 3.26Å; G80-K84 WeakPolarHBondContact O-CB 3.48Å; G80-K84 PolarHBondContact O-N 3.3Å
81	F	68.8	Low	71.1	Confident	140 Å²	140	79.6 Å²	79.6	61%	0.614	41%	0.405	S	S	*	.	H	α-helix	trans	-65.7	-47.8	179.8	179.6	-103.3	0	0	0	112.4	G77 L83 K84 I85	G77-F81 PolarHBondContact O-N 3.19Å; F81-L83 VanDerWaalsContact C-N 3.32Å; F81-L83 PolarHBondContact O-N 3.46Å; F81-K84 PolarHBondContact O-N 2.85Å; F81-I85 HydrophobicContact CD1-CD1 4.1Å; F81-I85 HydrophobicContact CE1-CD1 3.5Å; F81-I85 HydrophobicContact CE2-CD1 4.25Å; F81-I85 HydrophobicContact CZ-CD1 3.6Å; F81-I85 PolarHBondContact O-N 3.48Å; F81-I85 VanDerWaalsContact O-N 3.15Å
82	L	71.9	Confident	71.4	Confident	72 Å²	72	80.5 Å²	80.5	38%	0.377	41%	0.414	S	S	.	.	H	α-helix	trans	-63.9	-41.8	177.5	-168.6	77.2	0	0	0	110.8	K84 I85 K86	L82-K84 VanDerWaalsContact C-N 3.34Å; L82-K84 PolarHBondContact O-N 3.48Å; L82-I85 PolarHBondContact O-N 2.91Å; L82-K86 WeakPolarHBondContact O-CG 3.35Å; L82-K86 PolarHBondContact O-N 3.44Å
83	L	74.1	Confident	71.7	Confident	25 Å²	25	82.2 Å²	82.2	13%	0.131	42%	0.42	C	S	.	.	H	α-helix	trans	-64.2	-39.1	178.1	-176.9	58.8	0	0	0	111.8	Y33 Q75 G80 F81 K86 L87	Y33-L83 HydrophobicContact CD2-CD1 4.16Å; Y33-L83 HydrophobicContact CE1-CD1 4.39Å; Y33-L83 HydrophobicContact CE1-CD2 3.87Å; Y33-L83 HydrophobicContact CE2-CD1 3.42Å; Y33-L83 VanDerWaalsContact CE2-CD1 3.42Å; Y33-L83 HydrophobicContact CE2-CD2 4.39Å; Q75-L83 HydrophobicContact CG-CD2 4.15Å; G80-L83 PolarHBondContact O-N 3.25Å; F81-L83 VanDerWaalsContact C-N 3.32Å; F81-L83 PolarHBondContact O-N 3.46Å; L83-K86 PolarHBondContact O-N 3.28Å; L83-L87 HydrophobicContact CD1-CD1 4.07Å; L83-L87 HydrophobicContact CD1-CD2 4.45Å; L83-L87 HydrophobicContact CD1-CG 3.96Å; L83-L87 HydrophobicContact CG-CD1 3.92Å; L83-L87 HydrophobicContact CG-CG 4.25Å; L83-L87 WeakPolarHBondContact O-CB 3.49Å; L83-L87 VanDerWaalsContact O-CG 3.28Å; L83-L87 WeakPolarHBondContact O-CG 3.33Å; L83-L87 PolarHBondContact O-N 2.98Å
84	K	77.1	Confident	72	Confident	99 Å²	99	76.1 Å²	76.1	43%	0.43	39%	0.392	S	S	.	.	H	α-helix	trans	-61	-44	175.2	-179.5	171.4	-174.2	173	0	112.3	A72 G80 F81 L82 G88	A72-K84 HydrophobicContact CB-CG 4.28Å; A72-K84 WeakPolarHBondContact O-CD 3.33Å; A72-K84 WeakPolarHBondContact O-CG 3.49Å; G80-K84 VanDerWaalsContact O-CB 3.26Å; G80-K84 WeakPolarHBondContact O-CB 3.48Å; G80-K84 PolarHBondContact O-N 3.3Å; F81-K84 PolarHBondContact O-N 2.85Å; L82-K84 VanDerWaalsContact C-N 3.34Å; L82-K84 PolarHBondContact O-N 3.48Å; K84-G88 PolarHBondContact O-N 3.43Å
85	I	78.1	Confident	72.6	Confident	94 Å²	94	73.6 Å²	73.6	48%	0.482	38%	0.379	S	S	.	.	H	α-helix	trans	-64.4	-45.4	176.3	-66.4	174.6	0	0	0	110.7	F81 L82 G88 H89	F81-I85 HydrophobicContact CD1-CD1 4.1Å; F81-I85 HydrophobicContact CE1-CD1 3.5Å; F81-I85 HydrophobicContact CE2-CD1 4.25Å; F81-I85 HydrophobicContact CZ-CD1 3.6Å; F81-I85 PolarHBondContact O-N 3.48Å; F81-I85 VanDerWaalsContact O-N 3.15Å; L82-I85 PolarHBondContact O-N 2.91Å; I85-G88 PolarHBondContact O-N 2.93Å; I85-H89 WeakPolarHBondContact O-CB 3.46Å; I85-H89 PolarHBondContact O-N 2.86Å
86	K	79.8	Confident	73.5	Confident	89 Å²	89	74.6 Å²	74.6	39%	0.387	39%	0.394	S	S	.	.	H	α-helix	trans	-63.1	-48.6	179.2	-73.3	-174.1	178.5	-175.7	0	112.2	L82 L83 G88 H89 Y90	L82-K86 WeakPolarHBondContact O-CG 3.35Å; L82-K86 PolarHBondContact O-N 3.44Å; L83-K86 PolarHBondContact O-N 3.28Å; K86-G88 VanDerWaalsContact C-N 3.32Å; K86-G88 PolarHBondContact O-N 3.35Å; K86-H89 WeakPolarHBondContact O-CB 3.42Å; K86-H89 PolarHBondContact O-N 3.27Å; K86-H89 VanDerWaalsContact O-N 3.13Å; K86-Y90 HydrophobicContact CB-CD2 4.45Å; K86-Y90 HydrophobicContact CB-CE2 3.9Å; K86-Y90 WeakPolarHBondContact O-CD2 3.44Å; K86-Y90 VanDerWaalsContact O-CG 3.29Å; K86-Y90 PolarHBondContact O-N 3.5Å
87	L	79.2	Confident	74.5	Confident	1 Å²	1	71.4 Å²	71.4	1%	0.005	38%	0.375	C	S	.	.	H	α-helix	trans	-62.2	-38.5	177.9	-68.7	176.1	0	0	0	112.1	Y33 L68 A72 L83 Y90 A91	Y33-L87 HydrophobicContact CD2-CD2 4.03Å; L68-L87 HydrophobicContact CD2-CD2 4.05Å; A72-L87 HydrophobicContact CB-CB 3.93Å; A72-L87 HydrophobicContact CB-CD1 4.41Å; L83-L87 HydrophobicContact CD1-CD1 4.07Å; L83-L87 HydrophobicContact CD1-CD2 4.45Å; L83-L87 HydrophobicContact CD1-CG 3.96Å; L83-L87 HydrophobicContact CG-CD1 3.92Å; L83-L87 HydrophobicContact CG-CG 4.25Å; L83-L87 WeakPolarHBondContact O-CB 3.49Å; L83-L87 VanDerWaalsContact O-CG 3.28Å; L83-L87 WeakPolarHBondContact O-CG 3.33Å; L83-L87 PolarHBondContact O-N 2.98Å; L87-Y90 HydrophobicContact CD2-CD2 4.48Å; L87-Y90 PolarHBondContact O-N 2.98Å; L87-A91 WeakPolarHBondContact O-CB 3.43Å; L87-A91 PolarHBondContact O-N 3.45Å
88	G	79.9	Confident	75.5	Confident	25 Å²	25	70 Å²	70	26%	0.258	36%	0.355	S	S	.	.	H	α-helix	trans	-64.1	-40.3	172.4	0	0	0	0	0	113.1	K84 I85 K86 A91 N92	K84-G88 PolarHBondContact O-N 3.43Å; I85-G88 PolarHBondContact O-N 2.93Å; K86-G88 VanDerWaalsContact C-N 3.32Å; K86-G88 PolarHBondContact O-N 3.35Å; G88-A91 PolarHBondContact O-N 3.41Å; G88-N92 PolarHBondContact O-N 3.04Å; G88-N92 PolarHBondContact O-ND2 3.04Å
89	H	81.9	Confident	76.5	Confident	119 Å²	119	63.8 Å²	63.8	55%	0.551	33%	0.329	S	S	*	.	H	α-helix	trans	-64.1	-45	174.6	-173.9	75.6	0	0	0	111.7	I85 K86 A91 N92 Q93	I85-H89 WeakPolarHBondContact O-CB 3.46Å; I85-H89 PolarHBondContact O-N 2.86Å; K86-H89 WeakPolarHBondContact O-CB 3.42Å; K86-H89 PolarHBondContact O-N 3.27Å; K86-H89 VanDerWaalsContact O-N 3.13Å; H89-A91 PolarHBondContact O-N 3.24Å; H89-N92 PolarHBondContact O-N 3.3Å; H89-Q93 WeakPolarHBondContact O-CB 3.47Å; H89-Q93 PolarHBondContact O-N 2.96Å
90	Y	81.4	Confident	77.3	Confident	32 Å²	32	67.9 Å²	67.9	13%	0.125	33%	0.334	C	S	.	.	H	α-helix	trans	-63.8	-38.3	177.5	-62.2	-46.6	0	0	0	112.6	P27 E29 V30 K86 L87 N92 Q93 L94	P27-Y90 HydrophobicContact CB-CD1 3.85Å; P27-Y90 HydrophobicContact CB-CE1 3.74Å; P27-Y90 HydrophobicContact CB-CG 4.31Å; P27-Y90 HydrophobicContact CG-CD1 3.41Å; P27-Y90 VanDerWaalsContact CG-CD1 3.41Å; P27-Y90 HydrophobicContact CG-CE1 3.71Å; P27-Y90 HydrophobicContact CG-CG 4.03Å; E29-Y90 HydrophobicContact CB-CD2 4.47Å; E29-Y90 HydrophobicContact CB-CE2 3.82Å; E29-Y90 HydrophobicContact CG-CE2 4.16Å; E29-Y90 PolarHBondContact OE1-OH 3.28Å; E29-Y90 PolarHBondContact OE2-OH 3.02Å; V30-Y90 HydrophobicContact CG2-CD2 4.22Å; V30-Y90 HydrophobicContact CG2-CG 4.1Å; K86-Y90 HydrophobicContact CB-CD2 4.45Å; K86-Y90 HydrophobicContact CB-CE2 3.9Å; K86-Y90 WeakPolarHBondContact O-CD2 3.44Å; K86-Y90 VanDerWaalsContact O-CG 3.29Å; K86-Y90 PolarHBondContact O-N 3.5Å; L87-Y90 HydrophobicContact CD2-CD2 4.48Å; L87-Y90 PolarHBondContact O-N 2.98Å; Y90-N92 VanDerWaalsContact C-N 3.33Å; Y90-N92 PolarHBondContact O-N 3.3Å; Y90-Q93 PolarHBondContact O-N 3.1Å; Y90-L94 WeakPolarHBondContact O-CB 3.47Å; Y90-L94 VanDerWaalsContact O-CG 3.3Å; Y90-L94 WeakPolarHBondContact O-CG 3.34Å; Y90-L94 PolarHBondContact O-N 3.25Å
91	A	81.1	Confident	77.9	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-59.7	-43.5	174.2	0	0	0	0	0	111.8	I65 L68 Q69 L87 G88 H89 K95	I65-A91 HydrophobicContact CG2-CB 4.35Å; L68-A91 HydrophobicContact CB-CB 4.24Å; L68-A91 HydrophobicContact CD1-CB 4.34Å; Q69-A91 HydrophobicContact CG-CB 4.4Å; L87-A91 WeakPolarHBondContact O-CB 3.43Å; L87-A91 PolarHBondContact O-N 3.45Å; G88-A91 PolarHBondContact O-N 3.41Å; H89-A91 PolarHBondContact O-N 3.24Å; A91-K95 WeakPolarHBondContact O-CB 3.33Å; A91-K95 PolarHBondContact O-N 3.04Å; A91-K95 VanDerWaalsContact O-N 3.08Å
92	N	82.1	Confident	78.1	Confident	101 Å²	101	64.2 Å²	64.2	54%	0.54	32%	0.323	S	S	.	.	H	α-helix	trans	-70	-38.5	176.9	-70.4	-30	0	0	0	112.6	G88 H89 Y90 K95 S96	G88-N92 PolarHBondContact O-N 3.04Å; G88-N92 PolarHBondContact O-ND2 3.04Å; H89-N92 PolarHBondContact O-N 3.3Å; Y90-N92 VanDerWaalsContact C-N 3.33Å; Y90-N92 PolarHBondContact O-N 3.3Å; N92-K95 PolarHBondContact O-N 3.46Å; N92-S96 WeakPolarHBondContact O-CB 3.28Å; N92-S96 PolarHBondContact O-N 3.4Å
93	Q	81.8	Confident	78.3	Confident	43 Å²	43	62.1 Å²	62.1	20%	0.201	31%	0.312	C	S	.	.	H	α-helix	trans	-63.9	-47.1	177.1	-177.3	-177.9	6	0	0	111.6	Q24 H89 Y90 K95 S96 T97	Q24-Q93 PolarHBondContact O-NE2 3.19Å; H89-Q93 WeakPolarHBondContact O-CB 3.47Å; H89-Q93 PolarHBondContact O-N 2.96Å; Y90-Q93 PolarHBondContact O-N 3.1Å; Q93-K95 VanDerWaalsContact C-N 3.33Å; Q93-K95 PolarHBondContact O-N 3.29Å; Q93-S96 PolarHBondContact O-N 3.46Å; Q93-T97 WeakPolarHBondContact O-CB 3.4Å; Q93-T97 PolarHBondContact O-N 3.27Å; Q93-T97 PolarHBondContact O-OG1 2.94Å
94	L	79.8	Confident	78.4	Confident	2 Å²	2	64.9 Å²	64.9	1%	0.01	33%	0.325	C	S	.	.	H	α-helix	trans	-63.5	-40.8	177.1	-71.7	173.5	0	0	0	111.1	F26 V30 L64 L68 Y90 T97 Y98 L105	F26-L94 HydrophobicContact CD2-CD2 4.22Å; V30-L94 HydrophobicContact CG1-CD1 4.21Å; V30-L94 HydrophobicContact CG2-CD1 4.25Å; L64-L94 HydrophobicContact CD2-CD1 4.14Å; L68-L94 HydrophobicContact CD1-CD1 3.78Å; Y90-L94 WeakPolarHBondContact O-CB 3.47Å; Y90-L94 VanDerWaalsContact O-CG 3.3Å; Y90-L94 WeakPolarHBondContact O-CG 3.34Å; Y90-L94 PolarHBondContact O-N 3.25Å; L94-T97 PolarHBondContact O-N 2.92Å; L94-Y98 HydrophobicContact CD2-CD2 3.89Å; L94-Y98 HydrophobicContact CD2-CE2 3.67Å; L94-Y98 WeakPolarHBondContact O-CB 3.35Å; L94-Y98 WeakPolarHBondContact O-CD2 3.19Å; L94-Y98 PolarHBondContact O-N 3.08Å; L94-L105 HydrophobicContact CD2-CD1 4.47Å
95	K	81.1	Confident	78.4	Confident	102 Å²	102	60.2 Å²	60.2	44%	0.443	30%	0.304	S	S	.	.	H	α-helix	trans	-61	-50.2	174.4	-166.3	173	-175.8	172.6	0	111.8	I65 A91 N92 Q93 T97 D99	I65-K95 HydrophobicContact CD1-CB 3.69Å; I65-K95 HydrophobicContact CD1-CD 4.25Å; I65-K95 HydrophobicContact CD1-CG 3.92Å; A91-K95 WeakPolarHBondContact O-CB 3.33Å; A91-K95 PolarHBondContact O-N 3.04Å; A91-K95 VanDerWaalsContact O-N 3.08Å; N92-K95 PolarHBondContact O-N 3.46Å; Q93-K95 VanDerWaalsContact C-N 3.33Å; Q93-K95 PolarHBondContact O-N 3.29Å; K95-T97 VanDerWaalsContact C-N 3.29Å; K95-T97 PolarHBondContact O-N 3.3Å; K95-D99 WeakPolarHBondContact O-CB 3.47Å; K95-D99 PolarHBondContact O-N 3.08Å
96	S	80.4	Confident	78.5	Confident	96 Å²	96	55.7 Å²	55.7	67%	0.671	28%	0.281	S	S	*	.	H	α-helix	trans	-61.7	-37.2	-179.4	-171.6	0	0	0	0	112.9	N92 Q93	N92-S96 WeakPolarHBondContact O-CB 3.28Å; N92-S96 PolarHBondContact O-N 3.4Å; Q93-S96 PolarHBondContact O-N 3.46Å
97	T	76.1	Confident	78.5	Confident	74 Å²	74	56.5 Å²	56.5	45%	0.454	28%	0.282	S	S	.	.	H	α-helix	trans	-80.8	-40.6	-174.6	-51.2	0	0	0	0	112.4	Q93 L94 K95	Q93-T97 WeakPolarHBondContact O-CB 3.4Å; Q93-T97 PolarHBondContact O-N 3.27Å; Q93-T97 PolarHBondContact O-OG1 2.94Å; L94-T97 PolarHBondContact O-N 2.92Å; K95-T97 VanDerWaalsContact C-N 3.29Å; K95-T97 PolarHBondContact O-N 3.3Å
98	Y	78.4	Confident	78.5	Confident	17 Å²	17	57.6 Å²	57.6	7%	0.067	29%	0.289	C	S	.	.	H	α-helix	trans	-109.4	-9.3	-169.3	-63.6	-71	0	0	0	115.1	H25 L94 R100 C101 P102 E104 L105	H25-Y98 WeakPolarHBondContact O-CE2 3.37Å; H25-Y98 PolarHBondContact O-OH 3.34Å; L94-Y98 HydrophobicContact CD2-CD2 3.89Å; L94-Y98 HydrophobicContact CD2-CE2 3.67Å; L94-Y98 WeakPolarHBondContact O-CB 3.35Å; L94-Y98 WeakPolarHBondContact O-CD2 3.19Å; L94-Y98 PolarHBondContact O-N 3.08Å; Y98-R100 PolarHBondContact O-N 3.16Å; Y98-C101 CarbonylContact O-C 3.46Å; Y98-C101 PolarHBondContact O-N 3.11Å; Y98-C101 VanDerWaalsContact O-N 3.14Å; Y98-P102 WeakPolarHBondContact O-CA 3.34Å; Y98-P102 WeakPolarHBondContact O-CD 3.42Å; Y98-P102 VanDerWaalsContact O-N 3.09Å; Y98-E104 HydrophobicContact CD1-CB 4.26Å; Y98-E104 HydrophobicContact CE1-CB 4.2Å; Y98-L105 HydrophobicContact CD1-CB 3.7Å; Y98-L105 HydrophobicContact CD1-CD1 4.35Å; Y98-L105 HydrophobicContact CD2-CB 4.39Å; Y98-L105 HydrophobicContact CD2-CD1 3.64Å; Y98-L105 HydrophobicContact CE1-CB 4.14Å; Y98-L105 HydrophobicContact CE1-CD1 4.41Å; Y98-L105 HydrophobicContact CE2-CD1 3.7Å; Y98-L105 HydrophobicContact CG-CB 3.83Å; Y98-L105 HydrophobicContact CG-CD1 3.97Å; Y98-L105 HydrophobicContact CG-CG 4.44Å
99	D	75.6	Confident	78.6	Confident	65 Å²	65	56.5 Å²	56.5	35%	0.348	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-25.7	177.8	-175.7	45.3	0	0	0	112.7	K58 K95	K58-D99 WeakPolarHBondContact CE-OD1 3.38Å; K58-D99 IonicContact NZ-OD1 2.88Å; K58-D99 PolarHBondContact NZ-OD1 3.34Å; K95-D99 WeakPolarHBondContact O-CB 3.47Å; K95-D99 PolarHBondContact O-N 3.08Å
100	R	72	Confident	78.5	Confident	222 Å²	222	53 Å²	53	84%	0.838	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-25.6	174.6	-65.1	-175.8	-178.2	-177.1	1.5	113.8	Y98	Y98-R100 PolarHBondContact O-N 3.16Å
101	C	75.8	Confident	78.4	Confident	67 Å²	67	57 Å²	57	45%	0.453	28%	0.28	S	S	.	.			trans	-146.1	75.6	-178.8	-65.4	0	0	0	0	111.2	Y98 L103 E104	Y98-C101 CarbonylContact O-C 3.46Å; Y98-C101 PolarHBondContact O-N 3.11Å; Y98-C101 VanDerWaalsContact O-N 3.14Å; C101-L103 PolarHBondContact O-N 3.19Å; C101-E104 HydrophobicContact CB-CB 4.42Å; C101-E104 HydrophobicContact CB-CG 4.06Å; C101-E104 PolarHBondContact O-N 2.93Å; C101-E104 VanDerWaalsContact O-N 3.16Å
102	P	73.3	Confident	78.4	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.019	28%	0.282	C	S	.	.	H	α-helix	trans	-64.2	-23.6	-174.7	-23.8	34.9	0	0	0	114.4	E54 A57 K58 Y98 E104 L105	E54-P102 HydrophobicContact CG-CG 4.43Å; A57-P102 HydrophobicContact CB-CB 3.9Å; K58-P102 HydrophobicContact CB-CB 4.27Å; K58-P102 HydrophobicContact CB-CG 4.06Å; K58-P102 HydrophobicContact CG-CG 4.4Å; Y98-P102 WeakPolarHBondContact O-CA 3.34Å; Y98-P102 WeakPolarHBondContact O-CD 3.42Å; Y98-P102 VanDerWaalsContact O-N 3.09Å; P102-E104 VanDerWaalsContact C-N 3.32Å; P102-E104 PolarHBondContact O-N 3.28Å; P102-L105 WeakPolarHBondContact O-CB 3.43Å; P102-L105 PolarHBondContact O-N 3.41Å
103	L	75.9	Confident	78.4	Confident	28 Å²	28	53.6 Å²	53.6	15%	0.147	26%	0.262	C	S	.	.	H	α-helix	trans	-67.9	-29.2	177.3	-67.7	171	0	0	0	112.8	E54 A57 C101 L105 V106 R107	E54-L103 HydrophobicContact CB-CD1 4.31Å; E54-L103 HydrophobicContact CB-CG 4.39Å; E54-L103 HydrophobicContact CG-CD1 4.47Å; E54-L103 HydrophobicContact CG-CG 4.36Å; A57-L103 HydrophobicContact CB-CD2 3.95Å; C101-L103 PolarHBondContact O-N 3.19Å; L103-L105 VanDerWaalsContact C-N 3.3Å; L103-L105 PolarHBondContact O-N 2.96Å; L103-V106 PolarHBondContact O-N 3.37Å; L103-R107 WeakPolarHBondContact O-CG 3.22Å; L103-R107 PolarHBondContact O-N 3.23Å
104	E	75.1	Confident	78.4	Confident	84 Å²	84	58.7 Å²	58.7	39%	0.393	28%	0.28	S	S	.	.	H	α-helix	trans	-68.4	-30.8	176.3	-71.3	-60.1	125.6	0	0	112	Y98 C101 P102 R107 C108	Y98-E104 HydrophobicContact CD1-CB 4.26Å; Y98-E104 HydrophobicContact CE1-CB 4.2Å; C101-E104 HydrophobicContact CB-CB 4.42Å; C101-E104 HydrophobicContact CB-CG 4.06Å; C101-E104 PolarHBondContact O-N 2.93Å; C101-E104 VanDerWaalsContact O-N 3.16Å; P102-E104 VanDerWaalsContact C-N 3.32Å; P102-E104 PolarHBondContact O-N 3.28Å; E104-R107 PolarHBondContact O-N 3.26Å; E104-R107 WeakPolarHBondContact OE1-CD 3.3Å; E104-R107 IonicContact OE1-CZ 2.75Å; E104-R107 IonicContact OE1-NE 3.19Å; E104-R107 IonicContact OE1-NH1 3.87Å; E104-R107 PolarHBondContact OE1-NH1 3.29Å; E104-C108 VanDerWaalsContact O-CB 3.24Å; E104-C108 WeakPolarHBondContact O-CB 3.48Å; E104-C108 PolarHBondContact O-N 2.75Å
105	L	78.4	Confident	78.3	Confident	0 Å²	0	59 Å²	59	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.3	-46.4	172.1	-178.7	74.6	0	0	0	110.5	F26 L61 L64 L94 Y98 P102 L103 R107 C108 I109	F26-L105 HydrophobicContact CD2-CD1 4.47Å; F26-L105 HydrophobicContact CE2-CD1 4.49Å; L61-L105 HydrophobicContact CB-CD2 3.93Å; L61-L105 HydrophobicContact CD1-CD2 3.72Å; L61-L105 HydrophobicContact CG-CD2 4.37Å; L64-L105 HydrophobicContact CD2-CD2 4.28Å; L94-L105 HydrophobicContact CD2-CD1 4.47Å; Y98-L105 HydrophobicContact CD1-CB 3.7Å; Y98-L105 HydrophobicContact CD1-CD1 4.35Å; Y98-L105 HydrophobicContact CD2-CB 4.39Å; Y98-L105 HydrophobicContact CD2-CD1 3.64Å; Y98-L105 HydrophobicContact CE1-CB 4.14Å; Y98-L105 HydrophobicContact CE1-CD1 4.41Å; Y98-L105 HydrophobicContact CE2-CD1 3.7Å; Y98-L105 HydrophobicContact CG-CB 3.83Å; Y98-L105 HydrophobicContact CG-CD1 3.97Å; Y98-L105 HydrophobicContact CG-CG 4.44Å; P102-L105 WeakPolarHBondContact O-CB 3.43Å; P102-L105 PolarHBondContact O-N 3.41Å; L103-L105 VanDerWaalsContact C-N 3.3Å; L103-L105 PolarHBondContact O-N 2.96Å; L105-R107 VanDerWaalsContact C-N 3.33Å; L105-R107 PolarHBondContact O-N 2.93Å; L105-C108 WeakPolarHBondContact O-CB 3.18Å; L105-C108 PolarHBondContact O-N 3.45Å; L105-I109 HydrophobicContact CD1-CD1 4.02Å; L105-I109 HydrophobicContact CD1-CG1 4.47Å; L105-I109 HydrophobicContact CD2-CD1 4.39Å; L105-I109 HydrophobicContact CG-CD1 3.87Å; L105-I109 WeakPolarHBondContact O-CG1 3.37Å; L105-I109 PolarHBondContact O-N 3.48Å
106	V	79	Confident	78.3	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.7	-42.2	178.7	178.1	0	0	0	0	110.3	W43 I46 L48 A57 L103 K110	W43-V106 HydrophobicContact CE3-CG1 4.23Å; W43-V106 HydrophobicContact CE3-CG2 4.21Å; W43-V106 HydrophobicContact CZ3-CG2 4.15Å; I46-V106 HydrophobicContact CB-CG1 4.29Å; I46-V106 HydrophobicContact CD1-CG1 4.22Å; I46-V106 HydrophobicContact CD1-CG2 4.18Å; I46-V106 HydrophobicContact CG2-CG1 4.34Å; L48-V106 HydrophobicContact CD2-CB 4.35Å; L48-V106 HydrophobicContact CD2-CG1 4.05Å; A57-V106 HydrophobicContact CB-CG2 3.81Å; L103-V106 PolarHBondContact O-N 3.37Å; V106-K110 HydrophobicContact CG1-CD 3.9Å; V106-K110 HydrophobicContact CG1-CG 4.37Å; V106-K110 WeakPolarHBondContact O-CB 3.37Å; V106-K110 VanDerWaalsContact O-CG 3.23Å; V106-K110 WeakPolarHBondContact O-CG 3.35Å; V106-K110 PolarHBondContact O-N 3.36Å
107	R	79.4	Confident	78.2	Confident	106 Å²	106	53.8 Å²	53.8	40%	0.4	25%	0.249	S	C	.	.	H	α-helix	trans	-59.5	-47.2	173.7	-72.5	179	-177.5	164	-0.9	112.1	L48 L103 E104 L105 K110 H111	L48-R107 HydrophobicContact CD1-CG 3.72Å; L48-R107 HydrophobicContact CD2-CG 3.54Å; L48-R107 HydrophobicContact CG-CG 4.18Å; L48-R107 PolarHBondContact O-NH2 3.43Å; L103-R107 WeakPolarHBondContact O-CG 3.22Å; L103-R107 PolarHBondContact O-N 3.23Å; E104-R107 PolarHBondContact O-N 3.26Å; E104-R107 WeakPolarHBondContact OE1-CD 3.3Å; E104-R107 IonicContact OE1-CZ 2.75Å; E104-R107 IonicContact OE1-NE 3.19Å; E104-R107 IonicContact OE1-NH1 3.87Å; E104-R107 PolarHBondContact OE1-NH1 3.29Å; L105-R107 VanDerWaalsContact C-N 3.33Å; L105-R107 PolarHBondContact O-N 2.93Å; R107-K110 PolarHBondContact O-N 3.25Å; R107-H111 WeakPolarHBondContact O-CB 3.48Å; R107-H111 PolarHBondContact O-N 2.91Å
108	C	79.7	Confident	78.5	Confident	23 Å²	23	55 Å²	55	16%	0.155	25%	0.245	C	C	.	.	H	α-helix	trans	-59.6	-51.4	179	-175.2	0	0	0	0	111.5	E104 L105 K110 H111 I112	E104-C108 VanDerWaalsContact O-CB 3.24Å; E104-C108 WeakPolarHBondContact O-CB 3.48Å; E104-C108 PolarHBondContact O-N 2.75Å; L105-C108 WeakPolarHBondContact O-CB 3.18Å; L105-C108 PolarHBondContact O-N 3.45Å; C108-K110 PolarHBondContact O-N 3.29Å; C108-H111 PolarHBondContact O-N 3.28Å; C108-I112 VanDerWaalsContact O-CG1 3.27Å; C108-I112 WeakPolarHBondContact O-CG1 3.27Å; C108-I112 PolarHBondContact O-N 2.97Å
109	I	81.6	Confident	78.2	Confident	3 Å²	3	54.4 Å²	54.4	2%	0.015	24%	0.243	C	C	.	.	H	α-helix	trans	-65.4	-41	-179.3	-65.7	173.2	0	0	0	111.2	F26 I38 W43 L105 H111 I112 L113	F26-I109 HydrophobicContact CD2-CG1 4.42Å; F26-I109 HydrophobicContact CE2-CD1 4.04Å; F26-I109 HydrophobicContact CE2-CG1 3.97Å; F26-I109 HydrophobicContact CZ-CD1 4.38Å; F26-I109 HydrophobicContact CZ-CG1 4.23Å; I38-I109 HydrophobicContact CG2-CG2 3.94Å; W43-I109 HydrophobicContact CD2-CG2 3.99Å; W43-I109 HydrophobicContact CG-CG2 4.31Å; W43-I109 HydrophobicContact CH2-CD1 3.69Å; W43-I109 HydrophobicContact CZ2-CD1 3.95Å; W43-I109 HydrophobicContact CZ2-CG2 4.08Å; W43-I109 HydrophobicContact CZ3-CD1 4.11Å; L105-I109 HydrophobicContact CD1-CD1 4.02Å; L105-I109 HydrophobicContact CD1-CG1 4.47Å; L105-I109 HydrophobicContact CD2-CD1 4.39Å; L105-I109 HydrophobicContact CG-CD1 3.87Å; L105-I109 WeakPolarHBondContact O-CG1 3.37Å; L105-I109 PolarHBondContact O-N 3.48Å; I109-H111 PolarHBondContact O-N 2.98Å; I109-I112 PolarHBondContact O-N 2.94Å; I109-L113 HydrophobicContact CG2-CD1 3.86Å; I109-L113 HydrophobicContact CG2-CG 4.23Å; I109-L113 WeakPolarHBondContact O-CB 3.36Å; I109-L113 WeakPolarHBondContact O-CG 3.34Å; I109-L113 PolarHBondContact O-N 3.25Å
110	K	79.9	Confident	78.3	Confident	46 Å²	46	52 Å²	52	20%	0.2	23%	0.23	C	C	.	.	H	α-helix	trans	-61.5	-43.7	175	-73.7	178.1	89.4	162.6	0	111.7	W43 D44 V106 R107 C108 Y114	W43-K110 HydrophobicContact CB-CD 4.28Å; W43-K110 HydrophobicContact CB-CG 3.74Å; W43-K110 WeakPolarHBondContact O-CD 3.37Å; W43-K110 VanDerWaalsContact O-CE 3.31Å; W43-K110 WeakPolarHBondContact O-CE 3.12Å; W43-K110 PolarHBondContact O-NZ 2.93Å; D44-K110 WeakPolarHBondContact OD1-CE 3.38Å; D44-K110 IonicContact OD1-NZ 3.76Å; V106-K110 HydrophobicContact CG1-CD 3.9Å; V106-K110 HydrophobicContact CG1-CG 4.37Å; V106-K110 WeakPolarHBondContact O-CB 3.37Å; V106-K110 VanDerWaalsContact O-CG 3.23Å; V106-K110 WeakPolarHBondContact O-CG 3.35Å; V106-K110 PolarHBondContact O-N 3.36Å; R107-K110 PolarHBondContact O-N 3.25Å; C108-K110 PolarHBondContact O-N 3.29Å; K110-Y114 WeakPolarHBondContact O-CB 3.41Å; K110-Y114 PolarHBondContact O-N 2.71Å
111	H	79.6	Confident	78.4	Confident	115 Å²	115	49.5 Å²	49.5	53%	0.532	22%	0.221	S	C	.	.	H	α-helix	trans	-63.1	-42.3	177.7	-176.8	65.7	0	0	0	112.1	R107 C108 I109 T115	R107-H111 WeakPolarHBondContact O-CB 3.48Å; R107-H111 PolarHBondContact O-N 2.91Å; C108-H111 PolarHBondContact O-N 3.28Å; I109-H111 PolarHBondContact O-N 2.98Å; H111-T115 WeakPolarHBondContact O-CB 3.43Å; H111-T115 PolarHBondContact O-N 3.19Å; H111-T115 PolarHBondContact O-OG1 3.29Å
112	I	81.7	Confident	78.2	Confident	5 Å²	5	50.8 Å²	50.8	3%	0.026	22%	0.22	C	C	.	.	H	α-helix	trans	-62.5	-54.8	176.6	-69.2	166.9	0	0	0	110.2	Y22 F26 C108 I109 Y114 T115 E116	Y22-I112 HydrophobicContact CE1-CD1 4.44Å; Y22-I112 HydrophobicContact CE1-CG2 3.95Å; Y22-I112 WeakPolarHBondContact OH-CG2 3.33Å; F26-I112 HydrophobicContact CB-CD1 3.83Å; F26-I112 HydrophobicContact CD1-CD1 3.7Å; F26-I112 HydrophobicContact CG-CD1 3.92Å; C108-I112 VanDerWaalsContact O-CG1 3.27Å; C108-I112 WeakPolarHBondContact O-CG1 3.27Å; C108-I112 PolarHBondContact O-N 2.97Å; I109-I112 PolarHBondContact O-N 2.94Å; I112-Y114 VanDerWaalsContact C-N 3.34Å; I112-Y114 PolarHBondContact O-N 2.98Å; I112-T115 PolarHBondContact O-N 3.37Å; I112-E116 HydrophobicContact CG2-CG 4.4Å; I112-E116 WeakPolarHBondContact O-CG 3.3Å; I112-E116 PolarHBondContact O-N 3.19Å
113	L	81.7	Confident	77.6	Confident	24 Å²	24	52.7 Å²	52.7	13%	0.126	24%	0.237	C	C	.	.	H	α-helix	trans	-62.3	-39.9	-177.8	-68.9	176.6	0	0	0	112.5	I38 E39 I109 Q117	I38-L113 HydrophobicContact CG2-CD1 4.26Å; I38-L113 HydrophobicContact CG2-CD2 4.46Å; E39-L113 HydrophobicContact CG-CD2 4.42Å; I109-L113 HydrophobicContact CG2-CD1 3.86Å; I109-L113 HydrophobicContact CG2-CG 4.23Å; I109-L113 WeakPolarHBondContact O-CB 3.36Å; I109-L113 WeakPolarHBondContact O-CG 3.34Å; I109-L113 PolarHBondContact O-N 3.25Å; L113-Q117 WeakPolarHBondContact O-CB 3.41Å; L113-Q117 WeakPolarHBondContact O-CG 3.38Å; L113-Q117 PolarHBondContact O-N 3.14Å
114	Y	81.9	Confident	77	Confident	150 Å²	150	55.9 Å²	55.9	59%	0.588	26%	0.257	S	S	*	.	H	α-helix	trans	-62.7	-45.4	175.5	176.6	-100	0	0	0	111.7	K110 I112 Q117 R118	K110-Y114 WeakPolarHBondContact O-CB 3.41Å; K110-Y114 PolarHBondContact O-N 2.71Å; I112-Y114 VanDerWaalsContact C-N 3.34Å; I112-Y114 PolarHBondContact O-N 2.98Å; Y114-Q117 PolarHBondContact O-N 3.34Å; Y114-R118 WeakPolarHBondContact O-CB 3.43Å; Y114-R118 PolarHBondContact O-N 2.9Å
115	T	77.9	Confident	76	Confident	10 Å²	10	58.4 Å²	58.4	6%	0.061	27%	0.273	C	S	.	.	H	α-helix	trans	-69.9	-38.3	-178.4	-51.7	0	0	0	0	111.3	L21 H111 I112 R118 L119	L21-T115 HydrophobicContact CD1-CG2 3.65Å; L21-T115 HydrophobicContact CD2-CG2 4.09Å; L21-T115 HydrophobicContact CG-CG2 4.47Å; H111-T115 WeakPolarHBondContact O-CB 3.43Å; H111-T115 PolarHBondContact O-N 3.19Å; H111-T115 PolarHBondContact O-OG1 3.29Å; I112-T115 PolarHBondContact O-N 3.37Å; T115-R118 PolarHBondContact O-N 2.94Å; T115-L119 HydrophobicContact CG2-CD1 4.23Å; T115-L119 HydrophobicContact CG2-CG 4.43Å; T115-L119 WeakPolarHBondContact O-CB 3.27Å; T115-L119 VanDerWaalsContact O-CG 3.27Å; T115-L119 WeakPolarHBondContact O-CG 3.35Å; T115-L119 PolarHBondContact O-N 3.34Å
116	E	80	Confident	74.4	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-59.1	-48.3	171.9	-73.6	-172.7	146.1	0	0	112	W4 Y22 R31 I112 R118 L119 I120	W4-E116 WeakPolarHBondContact CZ3-OE1 3.37Å; Y22-E116 VanDerWaalsContact OH-CD 3.26Å; Y22-E116 PolarHBondContact OH-OE1 3Å; R31-E116 IonicContact CZ-OE2 2.72Å; R31-E116 IonicContact NE-OE1 2.78Å; R31-E116 PolarHBondContact NE-OE1 3.34Å; R31-E116 IonicContact NE-OE2 2.79Å; R31-E116 PolarHBondContact NE-OE2 3.44Å; R31-E116 IonicContact NH2-OE2 3.41Å; R31-E116 PolarHBondContact NH2-OE2 3Å; I112-E116 HydrophobicContact CG2-CG 4.4Å; I112-E116 WeakPolarHBondContact O-CG 3.3Å; I112-E116 PolarHBondContact O-N 3.19Å; E116-R118 VanDerWaalsContact C-N 3.29Å; E116-R118 PolarHBondContact O-N 2.89Å; E116-L119 PolarHBondContact O-N 2.69Å; E116-I120 WeakPolarHBondContact O-CB 3.34Å; E116-I120 WeakPolarHBondContact O-CD1 3.34Å; E116-I120 VanDerWaalsContact O-CG1 3.23Å; E116-I120 WeakPolarHBondContact O-CG1 3.46Å; E116-I120 PolarHBondContact O-N 3.11Å
117	Q	80.1	Confident	72.6	Confident	86 Å²	86	67 Å²	67	40%	0.402	33%	0.334	S	S	.	.	H	α-helix	trans	-63.7	-36.6	177.7	-73.4	-178.2	8.1	0	0	112.1	V3 L113 Y114 R121	V3-Q117 HydrophobicContact CG1-CG 4.15Å; L113-Q117 WeakPolarHBondContact O-CB 3.41Å; L113-Q117 WeakPolarHBondContact O-CG 3.38Å; L113-Q117 PolarHBondContact O-N 3.14Å; Y114-Q117 PolarHBondContact O-N 3.34Å; Q117-R121 WeakPolarHBondContact O-CB 3.18Å; Q117-R121 VanDerWaalsContact O-CG 3.26Å; Q117-R121 WeakPolarHBondContact O-CG 3.48Å; Q117-R121 PolarHBondContact O-N 2.75Å
118	R	80.9	Confident	70.4	Confident	100 Å²	100	66.7 Å²	66.7	38%	0.377	35%	0.347	S	S	.	.	H	α-helix	trans	-63.8	-48.3	174.5	-165.7	-173.1	74.6	-157.2	-5	111.1	Y114 T115 E116 I120 R121 E122	Y114-R118 WeakPolarHBondContact O-CB 3.43Å; Y114-R118 PolarHBondContact O-N 2.9Å; T115-R118 PolarHBondContact O-N 2.94Å; E116-R118 VanDerWaalsContact C-N 3.29Å; E116-R118 PolarHBondContact O-N 2.89Å; R118-I120 PolarHBondContact O-N 3.39Å; R118-R121 PolarHBondContact O-N 3.19Å; R118-E122 WeakPolarHBondContact CD-OE1 3.31Å; R118-E122 WeakPolarHBondContact CG-OE1 3.42Å; R118-E122 IonicContact NE-OE1 3.2Å; R118-E122 PolarHBondContact NE-OE1 3.49Å; R118-E122 WeakPolarHBondContact O-CB 3.5Å; R118-E122 WeakPolarHBondContact O-CG 3.4Å; R118-E122 PolarHBondContact O-N 2.9Å
119	L	73.9	Confident	68.6	Low	4 Å²	4	71.1 Å²	71.1	2%	0.021	38%	0.376	C	S	.	.	H	α-helix	trans	-62.8	-40	178.7	-71.4	172.1	0	0	0	112.1	L10 Q17 M18 L21 T115 E116 E122 A123	L10-L119 HydrophobicContact CD1-CB 4.21Å; Q17-L119 HydrophobicContact CB-CD1 4.3Å; Q17-L119 HydrophobicContact CB-CD2 4.4Å; M18-L119 HydrophobicContact CB-CD1 4.41Å; L21-L119 HydrophobicContact CD1-CD1 4.4Å; T115-L119 HydrophobicContact CG2-CD1 4.23Å; T115-L119 HydrophobicContact CG2-CG 4.43Å; T115-L119 WeakPolarHBondContact O-CB 3.27Å; T115-L119 VanDerWaalsContact O-CG 3.27Å; T115-L119 WeakPolarHBondContact O-CG 3.35Å; T115-L119 PolarHBondContact O-N 3.34Å; E116-L119 PolarHBondContact O-N 2.69Å; L119-E122 PolarHBondContact O-N 3.35Å; L119-A123 VanDerWaalsContact O-CB 3.28Å; L119-A123 WeakPolarHBondContact O-CB 3.08Å; L119-A123 PolarHBondContact O-N 3.03Å
120	I	75.8	Confident	66.5	Low	16 Å²	16	77.5 Å²	77.5	8%	0.082	42%	0.415	C	S	.	.	H	α-helix	trans	-65.4	-42.7	175	-66.9	163.1	0	0	0	110.7	V3 Q6 A7 L10 E116 R118 A123 T124	V3-I120 HydrophobicContact CG1-CD1 3.48Å; V3-I120 VanDerWaalsContact CG1-CD1 3.48Å; Q6-I120 HydrophobicContact CB-CD1 4.15Å; Q6-I120 HydrophobicContact CB-CG2 4.36Å; A7-I120 HydrophobicContact CB-CD1 4.13Å; L10-I120 HydrophobicContact CD1-CG1 4.19Å; E116-I120 WeakPolarHBondContact O-CB 3.34Å; E116-I120 WeakPolarHBondContact O-CD1 3.34Å; E116-I120 VanDerWaalsContact O-CG1 3.23Å; E116-I120 WeakPolarHBondContact O-CG1 3.46Å; E116-I120 PolarHBondContact O-N 3.11Å; R118-I120 PolarHBondContact O-N 3.39Å; I120-A123 PolarHBondContact O-N 3.36Å; I120-T124 WeakPolarHBondContact O-CB 3.49Å; I120-T124 PolarHBondContact O-N 3.01Å; I120-T124 PolarHBondContact O-OG1 3.36Å
121	R	75.8	Confident	64.3	Low	168 Å²	168	77.2 Å²	77.2	63%	0.634	43%	0.425	S	S	*	.	H	α-helix	trans	-64.5	-41.8	175.6	-75.7	176.9	-173.4	-166.9	4.9	111.9	Q117 R118 T124 N125	Q117-R121 WeakPolarHBondContact O-CB 3.18Å; Q117-R121 VanDerWaalsContact O-CG 3.26Å; Q117-R121 WeakPolarHBondContact O-CG 3.48Å; Q117-R121 PolarHBondContact O-N 2.75Å; R118-R121 PolarHBondContact O-N 3.19Å; R121-T124 PolarHBondContact O-N 3Å; R121-N125 VanDerWaalsContact O-CB 3.27Å; R121-N125 WeakPolarHBondContact O-CB 3.46Å; R121-N125 PolarHBondContact O-N 2.95Å
122	E	70	Confident	62.3	Low	94 Å²	94	73.9 Å²	73.9	44%	0.439	42%	0.422	S	S	.	.	H	α-helix	trans	-62.7	-43.8	175.7	-76.1	169.8	-174.6	0	0	110.7	R118 L119 S126	R118-E122 WeakPolarHBondContact CD-OE1 3.31Å; R118-E122 WeakPolarHBondContact CG-OE1 3.42Å; R118-E122 IonicContact NE-OE1 3.2Å; R118-E122 PolarHBondContact NE-OE1 3.49Å; R118-E122 WeakPolarHBondContact O-CB 3.5Å; R118-E122 WeakPolarHBondContact O-CG 3.4Å; R118-E122 PolarHBondContact O-N 2.9Å; L119-E122 PolarHBondContact O-N 3.35Å; E122-S126 WeakPolarHBondContact O-CB 3.47Å; E122-S126 PolarHBondContact O-N 2.95Å; E122-S126 PolarHBondContact O-OG 3.31Å
123	A	60.9	Low	60.2	Low	44 Å²	44	81.5 Å²	81.5	36%	0.364	46%	0.459	S	S	.	.	H	α-helix	trans	-67.8	-33.3	175.9	0	0	0	0	0	113.7	L10 L119 I120 S126	L10-A123 HydrophobicContact CD2-CB 3.3Å; L119-A123 VanDerWaalsContact O-CB 3.28Å; L119-A123 WeakPolarHBondContact O-CB 3.08Å; L119-A123 PolarHBondContact O-N 3.03Å; I120-A123 PolarHBondContact O-N 3.36Å; A123-S126 WeakPolarHBondContact CA-OG 3.26Å; A123-S126 PolarHBondContact O-OG 3.19Å
124	T	63.2	Low	58.2	Low	95 Å²	95	86.2 Å²	86.2	58%	0.583	48%	0.482	S	S	*	.	H	α-helix	trans	-77.3	-36.6	178.5	-50.5	0	0	0	0	111.7	I120 R121	I120-T124 WeakPolarHBondContact O-CB 3.49Å; I120-T124 PolarHBondContact O-N 3.01Å; I120-T124 PolarHBondContact O-OG1 3.36Å; R121-T124 PolarHBondContact O-N 3Å
125	N	55.3	Low	56.5	Low	137 Å²	137	83.8 Å²	83.8	73%	0.733	48%	0.48	S	S	*	.	H	α-helix	trans	-82.4	-17.2	178.5	-74	-16.5	0	0	0	113.7	R121 S127	R121-N125 VanDerWaalsContact O-CB 3.27Å; R121-N125 WeakPolarHBondContact O-CB 3.46Å; R121-N125 PolarHBondContact O-N 2.95Å; N125-S127 PolarHBondContact O-N 3.19Å
126	S	44.7	Very low	55.2	Low	78 Å²	78	86 Å²	86	55%	0.545	50%	0.496	S	S	.	.			trans	-87.1	37	177.7	51.6	0	0	0	0	113.6	E122 A123 S128	E122-S126 WeakPolarHBondContact O-CB 3.47Å; E122-S126 PolarHBondContact O-N 2.95Å; E122-S126 PolarHBondContact O-OG 3.31Å; A123-S126 WeakPolarHBondContact CA-OG 3.26Å; A123-S126 PolarHBondContact O-OG 3.19Å; S126-S128 PolarHBondContact O-N 2.93Å
127	S	40.7	Very low	53.9	Low	103 Å²	103	88.2 Å²	88.2	72%	0.72	51%	0.506	S	S	*	.			trans	-76.8	59.6	161.7	45	0	0	0	0	110.9	N125	N125-S127 PolarHBondContact O-N 3.19Å
128	S	33.3	Very low	53	Low	98 Å²	98	86.6 Å²	86.6	69%	0.685	51%	0.505	S	S	*	.	S	Bend	trans	171.4	152.6	159.2	-77.2	0	0	0	0	110.5	S126	S126-S128 PolarHBondContact O-N 2.93Å
129	P	41.5	Very low	52.3	Low	116 Å²	116	86.6 Å²	86.6	75%	0.753	51%	0.509	S	S	*	.	S	Bend	cis	-116.3	37.8	-44.2	39.2	-23.5	0	0	0	110	G131	P129-G131 VanDerWaalsContact C-N 3.26Å
130	V	37.9	Very low	52	Low	137 Å²	137	90.7 Å²	90.7	83%	0.83	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-12.9	173.6	-172.9	0	0	0	0	111.2	G132	V130-G132 PolarHBondContact O-N 2.88Å
131	G	34.7	Very low	51.7	Low	40 Å²	40	93 Å²	93	41%	0.412	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-11.8	168.7	0	0	0	0	0	114.7	P129 M133 M134 D135	P129-G131 VanDerWaalsContact C-N 3.26Å; G131-M133 VanDerWaalsContact C-N 3.29Å; G131-M133 PolarHBondContact O-N 2.91Å; G131-M133 VanDerWaalsContact O-N 3.15Å; G131-M134 PolarHBondContact O-N 3.46Å; G131-M134 VanDerWaalsContact O-N 3.09Å; G131-D135 WeakPolarHBondContact O-CB 3.33Å; G131-D135 PolarHBondContact O-N 2.79Å
132	G	35.8	Very low	51.7	Low	46 Å²	46	90.1 Å²	90.1	47%	0.474	53%	0.528	S	S	.	.	H	α-helix	trans	-57.9	-32.7	-173.4	0	0	0	0	0	115.3	V130 S136	V130-G132 PolarHBondContact O-N 2.88Å; G132-S136 WeakPolarHBondContact O-CB 3.47Å; G132-S136 PolarHBondContact O-N 3.49Å; G132-S136 VanDerWaalsContact O-N 3.15Å
133	M	39.1	Very low	52.2	Low	165 Å²	165	91.5 Å²	91.5	81%	0.813	54%	0.535	S	S	*	.	H	α-helix	trans	-80.5	-32.3	177.3	-73.1	-178.6	77	0	0	113.1	G131 M137	G131-M133 VanDerWaalsContact C-N 3.29Å; G131-M133 PolarHBondContact O-N 2.91Å; G131-M133 VanDerWaalsContact O-N 3.15Å; M133-M137 WeakPolarHBondContact O-CG 3.41Å; M133-M137 PolarHBondContact O-N 3.47Å
134	M	39.2	Very low	52.9	Low	123 Å²	123	89.9 Å²	89.9	61%	0.606	52%	0.52	S	S	*	.	H	α-helix	trans	-84.8	-35.2	-179.2	-162.3	155	163.4	0	0	111.7	G131 S138	G131-M134 PolarHBondContact O-N 3.46Å; G131-M134 VanDerWaalsContact O-N 3.09Å; M134-S138 VanDerWaalsContact O-CB 3.23Å; M134-S138 WeakPolarHBondContact O-CB 3.4Å; M134-S138 PolarHBondContact O-N 3.4Å
135	D	45.8	Very low	53.7	Low	99 Å²	99	87.2 Å²	87.2	53%	0.529	50%	0.502	S	S	.	.	H	α-helix	trans	-67	-40	169.1	-102.7	-20.7	0	0	0	111.7	G131 S138 Q139	G131-D135 WeakPolarHBondContact O-CB 3.33Å; G131-D135 PolarHBondContact O-N 2.79Å; D135-S138 PolarHBondContact O-N 2.89Å; D135-Q139 VanDerWaalsContact O-CB 3.27Å; D135-Q139 WeakPolarHBondContact O-CB 3.37Å; D135-Q139 WeakPolarHBondContact O-CG 3.36Å; D135-Q139 PolarHBondContact O-N 3.38Å
136	S	49.9	Very low	55	Low	57 Å²	57	87.2 Å²	87.2	40%	0.399	50%	0.498	S	S	.	.	H	α-helix	trans	-67	-41.6	177.9	-175.6	0	0	0	0	112.2	G132 K140	G132-S136 WeakPolarHBondContact O-CB 3.47Å; G132-S136 PolarHBondContact O-N 3.49Å; G132-S136 VanDerWaalsContact O-N 3.15Å; S136-K140 WeakPolarHBondContact O-CG 3.48Å; S136-K140 PolarHBondContact O-N 2.83Å
137	M	53.2	Low	56.8	Low	47 Å²	47	84.6 Å²	84.6	23%	0.232	48%	0.481	C	S	.	.	H	α-helix	trans	-63.2	-49.6	173	-76.3	-67	-76.8	0	0	110.5	M133 Q139 K140 Y141	M133-M137 WeakPolarHBondContact O-CG 3.41Å; M133-M137 PolarHBondContact O-N 3.47Å; M137-Q139 VanDerWaalsContact C-N 3.33Å; M137-Q139 PolarHBondContact O-N 2.87Å; M137-K140 WeakPolarHBondContact O-CB 2.97Å; M137-K140 PolarHBondContact O-N 3.27Å; M137-K140 VanDerWaalsContact O-N 3.14Å; M137-Y141 HydrophobicContact CB-CD2 4.43Å; M137-Y141 HydrophobicContact CB-CE2 4.2Å; M137-Y141 HydrophobicContact CE-CE2 3.79Å; M137-Y141 WeakPolarHBondContact O-CD2 3.31Å; M137-Y141 PolarHBondContact O-N 3.37Å
138	S	61.2	Low	58.8	Low	52 Å²	52	80.4 Å²	80.4	36%	0.364	45%	0.45	S	S	.	.	H	α-helix	trans	-57.9	-41.7	178.3	-174.3	0	0	0	0	113	M134 D135 Y141 Q142	M134-S138 VanDerWaalsContact O-CB 3.23Å; M134-S138 WeakPolarHBondContact O-CB 3.4Å; M134-S138 PolarHBondContact O-N 3.4Å; D135-S138 PolarHBondContact O-N 2.89Å; S138-Y141 PolarHBondContact O-N 2.99Å; S138-Q142 WeakPolarHBondContact O-CG 3.2Å; S138-Q142 PolarHBondContact O-N 2.88Å
139	Q	65.6	Low	61.2	Low	100 Å²	100	79.6 Å²	79.6	47%	0.467	44%	0.435	S	S	.	.	H	α-helix	trans	-65.6	-41.5	174.8	-75.7	173.9	9.9	0	0	112.3	D135 M137 Q142 Q143	D135-Q139 VanDerWaalsContact O-CB 3.27Å; D135-Q139 WeakPolarHBondContact O-CB 3.37Å; D135-Q139 WeakPolarHBondContact O-CG 3.36Å; D135-Q139 PolarHBondContact O-N 3.38Å; M137-Q139 VanDerWaalsContact C-N 3.33Å; M137-Q139 PolarHBondContact O-N 2.87Å; Q139-Q142 PolarHBondContact O-N 2.95Å; Q139-Q143 WeakPolarHBondContact O-CG 3.23Å; Q139-Q143 PolarHBondContact O-N 3.43Å
140	K	68.4	Low	63.5	Low	89 Å²	89	79.1 Å²	79.1	39%	0.387	42%	0.423	S	S	.	.	H	α-helix	trans	-61.5	-45.1	173.1	-81.3	-174.7	175.1	-169.6	0	111.7	S136 M137 Q142 Q143 I144	S136-K140 WeakPolarHBondContact O-CG 3.48Å; S136-K140 PolarHBondContact O-N 2.83Å; M137-K140 WeakPolarHBondContact O-CB 2.97Å; M137-K140 PolarHBondContact O-N 3.27Å; M137-K140 VanDerWaalsContact O-N 3.14Å; K140-Q142 VanDerWaalsContact C-N 3.3Å; K140-Q142 PolarHBondContact O-N 2.93Å; K140-Q143 PolarHBondContact O-N 3.5Å; K140-I144 WeakPolarHBondContact O-CB 3.44Å; K140-I144 VanDerWaalsContact O-CG1 3.31Å; K140-I144 WeakPolarHBondContact O-CG1 3.4Å; K140-I144 PolarHBondContact O-N 3.01Å
141	Y	70.1	Confident	65.8	Low	64 Å²	64	72.7 Å²	72.7	25%	0.251	38%	0.384	S	S	.	.	H	α-helix	trans	-55.8	-46.8	173.8	-77.8	-75.8	0	0	0	110.6	M137 S138 Q143 I144 N145 I274 W279	M137-Y141 HydrophobicContact CB-CD2 4.43Å; M137-Y141 HydrophobicContact CB-CE2 4.2Å; M137-Y141 HydrophobicContact CE-CE2 3.79Å; M137-Y141 WeakPolarHBondContact O-CD2 3.31Å; M137-Y141 PolarHBondContact O-N 3.37Å; S138-Y141 PolarHBondContact O-N 2.99Å; Y141-Q143 PolarHBondContact O-N 2.96Å; Y141-I144 PolarHBondContact O-N 3.35Å; Y141-N145 WeakPolarHBondContact O-CB 3.19Å; Y141-N145 PolarHBondContact O-N 3.06Å; Y141-N145 PolarHBondContact O-ND2 3.34Å; Y141-N145 PolarHBondContact O-OD1 3.31Å; Y141-I274 HydrophobicContact CE1-CG2 4.22Å; Y141-W279 AromaticContact CD1-CH2 3.53Å; Y141-W279 HydrophobicContact CD1-CH2 3.53Å; Y141-W279 AromaticContact CD1-CZ2 3.09Å; Y141-W279 HydrophobicContact CD1-CZ2 3.09Å; Y141-W279 AromaticContact CE1-CH2 3.07Å; Y141-W279 HydrophobicContact CE1-CH2 3.07Å; Y141-W279 AromaticContact CE1-CZ2 3.16Å; Y141-W279 HydrophobicContact CE1-CZ2 3.16Å; Y141-W279 HydrophobicContact CE1-CZ3 4.01Å; Y141-W279 HydrophobicContact CG-CZ2 4.14Å; Y141-W279 AromaticContact CZ-CH2 3.81Å
142	Q	74.9	Confident	68.3	Low	109 Å²	109	76.8 Å²	76.8	51%	0.509	39%	0.387	S	S	.	.	H	α-helix	trans	-62.6	-42.7	178.2	-74.2	178.5	-8.8	0	0	113.4	S138 Q139 K140 N145 Q146	S138-Q142 WeakPolarHBondContact O-CG 3.2Å; S138-Q142 PolarHBondContact O-N 2.88Å; Q139-Q142 PolarHBondContact O-N 2.95Å; K140-Q142 VanDerWaalsContact C-N 3.3Å; K140-Q142 PolarHBondContact O-N 2.93Å; Q142-N145 PolarHBondContact O-N 3.4Å; Q142-Q146 WeakPolarHBondContact O-CG 3.46Å; Q142-Q146 PolarHBondContact O-N 3.27Å
143	Q	80	Confident	70.8	Confident	123 Å²	123	79.1 Å²	79.1	58%	0.575	39%	0.388	S	S	*	.	H	α-helix	trans	-62.7	-44.5	177.1	-73.1	173.6	14.8	0	0	111.9	Q139 K140 Y141 N145 Q146 A147	Q139-Q143 WeakPolarHBondContact O-CG 3.23Å; Q139-Q143 PolarHBondContact O-N 3.43Å; K140-Q143 PolarHBondContact O-N 3.5Å; Y141-Q143 PolarHBondContact O-N 2.96Å; Q143-N145 VanDerWaalsContact C-N 3.26Å; Q143-N145 PolarHBondContact O-N 3.38Å; Q143-Q146 PolarHBondContact O-N 3.24Å; Q143-A147 PolarHBondContact O-N 2.84Å
144	I	76.5	Confident	73.2	Confident	10 Å²	10	74 Å²	74	5%	0.051	36%	0.364	C	S	.	.	H	α-helix	trans	-58.6	-43	175.8	-73.4	170.5	0	0	0	110	K140 Y141 A147 F148 Q243 I246 E251 W279	K140-I144 WeakPolarHBondContact O-CB 3.44Å; K140-I144 VanDerWaalsContact O-CG1 3.31Å; K140-I144 WeakPolarHBondContact O-CG1 3.4Å; K140-I144 PolarHBondContact O-N 3.01Å; Y141-I144 PolarHBondContact O-N 3.35Å; I144-A147 PolarHBondContact O-N 2.96Å; I144-F148 HydrophobicContact CG2-CD2 3.78Å; I144-F148 HydrophobicContact CG2-CE2 3.52Å; I144-F148 WeakPolarHBondContact O-CD2 3.48Å; I144-F148 PolarHBondContact O-N 2.96Å; I144-Q243 PolarHBondContact O-NE2 3.31Å; I144-I246 HydrophobicContact CD1-CG2 4.23Å; I144-I246 HydrophobicContact CG1-CG2 4.42Å; I144-E251 HydrophobicContact CD1-CG 4.46Å; I144-W279 HydrophobicContact CB-CZ2 4.38Å; I144-W279 HydrophobicContact CD1-CH2 3.91Å; I144-W279 HydrophobicContact CD1-CZ2 3.62Å; I144-W279 HydrophobicContact CG2-CD2 4.36Å; I144-W279 HydrophobicContact CG2-CG 4.4Å; I144-W279 HydrophobicContact CG2-CZ2 3.93Å
145	N	79.5	Confident	75.6	Confident	39 Å²	39	68.2 Å²	68.2	21%	0.209	34%	0.335	C	S	.	.	H	α-helix	trans	-68	-37.5	-179.2	-63.4	-20.2	0	0	0	113.2	Y141 Q142 Q143 F148 E149 W278	Y141-N145 WeakPolarHBondContact O-CB 3.19Å; Y141-N145 PolarHBondContact O-N 3.06Å; Y141-N145 PolarHBondContact O-ND2 3.34Å; Y141-N145 PolarHBondContact O-OD1 3.31Å; Q142-N145 PolarHBondContact O-N 3.4Å; Q143-N145 VanDerWaalsContact C-N 3.26Å; Q143-N145 PolarHBondContact O-N 3.38Å; N145-F148 PolarHBondContact O-N 3.29Å; N145-E149 PolarHBondContact O-N 2.99Å; N145-W278 HydrophobicContact CB-CZ3 3.84Å; N145-W278 WeakPolarHBondContact ND2-CH2 2.92Å; N145-W278 WeakPolarHBondContact ND2-CZ3 3.36Å; N145-W278 WeakPolarHBondContact OD1-CZ3 2.96Å
146	Q	83.4	Confident	77.7	Confident	136 Å²	136	67.9 Å²	67.9	64%	0.636	33%	0.331	S	S	*	.	H	α-helix	trans	-62.9	-43.9	173.1	-72	170.4	6.6	0	0	111.2	Q142 Q143 F148 E149 E150	Q142-Q146 WeakPolarHBondContact O-CG 3.46Å; Q142-Q146 PolarHBondContact O-N 3.27Å; Q143-Q146 PolarHBondContact O-N 3.24Å; Q146-F148 VanDerWaalsContact C-N 3.31Å; Q146-F148 PolarHBondContact O-N 2.95Å; Q146-E149 PolarHBondContact O-N 3.34Å; Q146-E150 PolarHBondContact O-N 3.47Å
147	A	82.7	Confident	79.6	Confident	24 Å²	24	68.3 Å²	68.3	20%	0.198	33%	0.328	C	S	.	.	H	α-helix	trans	-62.9	-36.2	176.4	0	0	0	0	0	112.4	Q143 I144 E150 L151	Q143-A147 PolarHBondContact O-N 2.84Å; I144-A147 PolarHBondContact O-N 2.96Å; A147-E150 PolarHBondContact O-N 3.35Å; A147-L151 WeakPolarHBondContact O-CB 3.28Å; A147-L151 WeakPolarHBondContact O-CG 3.44Å; A147-L151 PolarHBondContact O-N 2.93Å
148	F	81.8	Confident	81.4	Confident	14 Å²	14	66.1 Å²	66.1	6%	0.061	32%	0.318	C	S	.	.	H	α-helix	trans	-65.1	-41.4	172.8	-85.5	-68.9	0	0	0	113.2	I144 N145 Q146 E150 L151 R152 Q243 I247 W279 K282 L283	I144-F148 HydrophobicContact CG2-CD2 3.78Å; I144-F148 HydrophobicContact CG2-CE2 3.52Å; I144-F148 WeakPolarHBondContact O-CD2 3.48Å; I144-F148 PolarHBondContact O-N 2.96Å; N145-F148 PolarHBondContact O-N 3.29Å; Q146-F148 VanDerWaalsContact C-N 3.31Å; Q146-F148 PolarHBondContact O-N 2.95Å; F148-E150 VanDerWaalsContact C-N 3.32Å; F148-L151 PolarHBondContact O-N 3.39Å; F148-R152 WeakPolarHBondContact O-CB 3.42Å; F148-R152 PolarHBondContact O-N 3.14Å; F148-Q243 HydrophobicContact CE2-CG 4.49Å; F148-Q243 HydrophobicContact CZ-CG 4.35Å; F148-I247 HydrophobicContact CE2-CD1 3.69Å; F148-I247 HydrophobicContact CZ-CD1 3.41Å; F148-I247 VanDerWaalsContact CZ-CD1 3.41Å; F148-W279 HydrophobicContact CE2-CB 4.4Å; F148-W279 AromaticContact CE2-CD1 3.45Å; F148-W279 VanDerWaalsContact CE2-CD1 3.45Å; F148-W279 HydrophobicContact CE2-CG 4.14Å; F148-W279 HydrophobicContact CZ-CB 4.28Å; F148-K282 HydrophobicContact CD1-CB 4.4Å; F148-K282 HydrophobicContact CE1-CB 4.2Å; F148-L283 HydrophobicContact CD1-CD2 4.5Å; F148-L283 HydrophobicContact CE1-CB 4.32Å; F148-L283 HydrophobicContact CE1-CD2 3.47Å; F148-L283 VanDerWaalsContact CE1-CD2 3.47Å; F148-L283 HydrophobicContact CE1-CG 3.49Å; F148-L283 VanDerWaalsContact CE1-CG 3.49Å; F148-L283 HydrophobicContact CZ-CD1 4.35Å; F148-L283 HydrophobicContact CZ-CD2 3.86Å; F148-L283 HydrophobicContact CZ-CG 3.58Å
149	E	84.6	Confident	82.8	Confident	81 Å²	81	66.2 Å²	66.2	38%	0.379	31%	0.312	S	S	.	.	H	α-helix	trans	-66.1	-39.1	177.6	-172.4	57.1	-157	0	0	111	N145 Q146 R152 L153	N145-E149 PolarHBondContact O-N 2.99Å; Q146-E149 PolarHBondContact O-N 3.34Å; E149-R152 WeakPolarHBondContact O-CB 3.33Å; E149-R152 PolarHBondContact O-N 2.91Å; E149-R152 IonicContact OE1-CZ 2.81Å; E149-R152 VanDerWaalsContact OE1-CZ 3.31Å; E149-R152 IonicContact OE1-NE 3.44Å; E149-R152 PolarHBondContact OE1-NE 2.91Å; E149-R152 VanDerWaalsContact OE1-NE 3.11Å; E149-R152 IonicContact OE1-NH2 3.63Å; E149-R152 PolarHBondContact OE1-NH2 3.21Å; E149-R152 IonicContact OE2-CZ 2.75Å; E149-R152 IonicContact OE2-NE 2.74Å; E149-R152 PolarHBondContact OE2-NE 2.92Å; E149-R152 IonicContact OE2-NH2 2.96Å; E149-L153 WeakPolarHBondContact O-CG 3.42Å; E149-L153 PolarHBondContact O-N 3.44Å
150	E	88.4	Confident	84	Confident	106 Å²	106	64.2 Å²	64.2	50%	0.495	31%	0.305	S	S	.	.	H	α-helix	trans	-60	-48.3	171.8	-174.2	179.1	-171.9	0	0	111.7	Q146 A147 F148 R152 L153 L154	Q146-E150 PolarHBondContact O-N 3.47Å; A147-E150 PolarHBondContact O-N 3.35Å; F148-E150 VanDerWaalsContact C-N 3.32Å; E150-R152 VanDerWaalsContact C-N 3.29Å; E150-R152 PolarHBondContact O-N 3.44Å; E150-L153 PolarHBondContact O-N 3.22Å; E150-L154 HydrophobicContact CG-CD1 4.21Å; E150-L154 WeakPolarHBondContact O-CG 3.42Å; E150-L154 PolarHBondContact O-N 3.18Å
151	L	87.1	Confident	85	Confident	3 Å²	3	61.7 Å²	61.7	2%	0.016	30%	0.296	C	S	.	.	H	α-helix	trans	-60.6	-37.7	176.1	-78.3	170.6	0	0	0	112.6	A147 F148 T155 T236 L239 L240 Q243 T286	A147-L151 WeakPolarHBondContact O-CB 3.28Å; A147-L151 WeakPolarHBondContact O-CG 3.44Å; A147-L151 PolarHBondContact O-N 2.93Å; F148-L151 PolarHBondContact O-N 3.39Å; L151-T155 VanDerWaalsContact O-CB 3.31Å; L151-T155 WeakPolarHBondContact O-CB 3.4Å; L151-T155 PolarHBondContact O-N 3.48Å; L151-T155 PolarHBondContact O-OG1 3.22Å; L151-T236 HydrophobicContact CD2-CG2 4.21Å; L151-L239 HydrophobicContact CD2-CB 3.72Å; L151-L240 HydrophobicContact CD1-CD1 3.95Å; L151-L240 HydrophobicContact CD2-CB 4.3Å; L151-L240 HydrophobicContact CD2-CD1 4.47Å; L151-Q243 HydrophobicContact CD1-CB 4.08Å; L151-Q243 HydrophobicContact CD1-CG 4.16Å; L151-T286 HydrophobicContact CB-CG2 4.47Å
152	R	87.3	Confident	86	Confident	126 Å²	126	58.9 Å²	58.9	48%	0.475	29%	0.285	S	S	.	.	H	α-helix	trans	-63.8	-47.8	176.6	-170.3	-178.8	80.6	94.9	2.8	111	F148 E149 E150 T155 Q156	F148-R152 WeakPolarHBondContact O-CB 3.42Å; F148-R152 PolarHBondContact O-N 3.14Å; E149-R152 WeakPolarHBondContact O-CB 3.33Å; E149-R152 PolarHBondContact O-N 2.91Å; E149-R152 IonicContact OE1-CZ 2.81Å; E149-R152 VanDerWaalsContact OE1-CZ 3.31Å; E149-R152 IonicContact OE1-NE 3.44Å; E149-R152 PolarHBondContact OE1-NE 2.91Å; E149-R152 VanDerWaalsContact OE1-NE 3.11Å; E149-R152 IonicContact OE1-NH2 3.63Å; E149-R152 PolarHBondContact OE1-NH2 3.21Å; E149-R152 IonicContact OE2-CZ 2.75Å; E149-R152 IonicContact OE2-NE 2.74Å; E149-R152 PolarHBondContact OE2-NE 2.92Å; E149-R152 IonicContact OE2-NH2 2.96Å; E150-R152 VanDerWaalsContact C-N 3.29Å; E150-R152 PolarHBondContact O-N 3.44Å; R152-T155 PolarHBondContact O-N 3.31Å; R152-Q156 WeakPolarHBondContact O-CB 3.34Å; R152-Q156 PolarHBondContact O-N 3.44Å
153	L	88.6	Confident	86.7	Confident	95 Å²	95	59.7 Å²	59.7	50%	0.497	28%	0.283	S	S	.	.	H	α-helix	trans	-63	-44.4	177.7	-69.6	172.2	0	0	0	111.6	E149 E150 T155 Q156 D157	E149-L153 WeakPolarHBondContact O-CG 3.42Å; E149-L153 PolarHBondContact O-N 3.44Å; E150-L153 PolarHBondContact O-N 3.22Å; L153-T155 PolarHBondContact O-N 3.46Å; L153-Q156 PolarHBondContact O-N 2.93Å; L153-D157 PolarHBondContact O-N 2.9Å
154	L	89.3	Confident	87.2	Confident	57 Å²	57	59.1 Å²	59.1	30%	0.298	28%	0.279	S	S	.	.	H	α-helix	trans	-61.4	-43.5	176.2	-72.3	173.1	0	0	0	112.1	E150 Q156 D157 T158 L239	E150-L154 HydrophobicContact CG-CD1 4.21Å; E150-L154 WeakPolarHBondContact O-CG 3.42Å; E150-L154 PolarHBondContact O-N 3.18Å; L154-Q156 VanDerWaalsContact C-N 3.3Å; L154-Q156 PolarHBondContact O-N 3Å; L154-D157 PolarHBondContact O-N 2.72Å; L154-T158 WeakPolarHBondContact O-CG2 3.26Å; L154-T158 PolarHBondContact O-N 2.89Å; L154-T158 PolarHBondContact O-OG1 2.67Å; L154-L239 HydrophobicContact CD1-CD1 3.59Å
155	T	88.7	Confident	87.8	Confident	2 Å²	2	59 Å²	59	1%	0.012	28%	0.278	C	S	.	.	H	α-helix	trans	-66.3	-33.3	178.6	-56.6	0	0	0	0	112	L151 R152 L153 T158 E159 T286 Q289 N290 Q293	L151-T155 VanDerWaalsContact O-CB 3.31Å; L151-T155 WeakPolarHBondContact O-CB 3.4Å; L151-T155 PolarHBondContact O-N 3.48Å; L151-T155 PolarHBondContact O-OG1 3.22Å; R152-T155 PolarHBondContact O-N 3.31Å; L153-T155 PolarHBondContact O-N 3.46Å; T155-T158 WeakPolarHBondContact CA-OG1 3.49Å; T155-T158 PolarHBondContact O-OG1 2.86Å; T155-E159 PolarHBondContact O-N 3.01Å; T155-E159 VanDerWaalsContact O-N 3.14Å; T155-T286 WeakPolarHBondContact OG1-CG2 3.28Å; T155-Q289 HydrophobicContact CG2-CB 4.14Å; T155-N290 VanDerWaalsContact CG2-ND2 3.3Å; T155-N290 WeakPolarHBondContact CG2-ND2 3.44Å; T155-N290 PolarHBondContact OG1-ND2 2.98Å; T155-Q293 PolarHBondContact O-NE2 3.16Å
156	Q	89.8	Confident	88.2	Confident	92 Å²	92	60.6 Å²	60.6	43%	0.43	28%	0.284	S	S	.	.	H	α-helix	trans	-73.8	-37.4	175.1	-169	169.9	26.2	0	0	111.9	R152 L153 L154 E159 N160	R152-Q156 WeakPolarHBondContact O-CB 3.34Å; R152-Q156 PolarHBondContact O-N 3.44Å; L153-Q156 PolarHBondContact O-N 2.93Å; L154-Q156 VanDerWaalsContact C-N 3.3Å; L154-Q156 PolarHBondContact O-N 3Å; Q156-E159 PolarHBondContact O-N 2.94Å; Q156-N160 VanDerWaalsContact O-CG 3.29Å; Q156-N160 PolarHBondContact O-N 3.05Å; Q156-N160 PolarHBondContact O-ND2 2.87Å
157	D	91.1	Very high	88.6	Confident	65 Å²	65	59.9 Å²	59.9	35%	0.348	28%	0.281	S	S	.	.	H	α-helix	trans	-63.7	-45.9	174.6	-170.2	56	0	0	0	111.4	L153 L154 E159 N160 D161 K232	L153-D157 PolarHBondContact O-N 2.9Å; L154-D157 PolarHBondContact O-N 2.72Å; D157-E159 VanDerWaalsContact C-N 3.28Å; D157-E159 PolarHBondContact O-N 3.34Å; D157-N160 PolarHBondContact O-N 2.94Å; D157-D161 PolarHBondContact O-N 3.16Å; D157-K232 IonicContact OD2-NZ 3.85Å; D157-K232 PolarHBondContact OD2-NZ 3.37Å
158	T	89.9	Confident	88.8	Confident	2 Å²	2	60.8 Å²	60.8	1%	0.012	28%	0.282	C	S	.	.	H	α-helix	trans	-62.4	-35.7	175	53.4	0	0	0	0	112.1	L154 T155 D161 L162 L229 K232 Q293	L154-T158 WeakPolarHBondContact O-CG2 3.26Å; L154-T158 PolarHBondContact O-N 2.89Å; L154-T158 PolarHBondContact O-OG1 2.67Å; T155-T158 WeakPolarHBondContact CA-OG1 3.49Å; T155-T158 PolarHBondContact O-OG1 2.86Å; T158-D161 PolarHBondContact O-N 3.26Å; T158-L162 VanDerWaalsContact O-CB 3.28Å; T158-L162 WeakPolarHBondContact O-CB 3.23Å; T158-L162 PolarHBondContact O-N 3.33Å; T158-L229 HydrophobicContact CG2-CD1 4.46Å; T158-K232 HydrophobicContact CG2-CB 3.83Å; T158-K232 HydrophobicContact CG2-CD 4.49Å; T158-Q293 PolarHBondContact OG1-OE1 3.36Å
159	E	90.4	Very high	89.1	Confident	54 Å²	54	60.1 Å²	60.1	25%	0.252	28%	0.279	S	S	.	.	H	α-helix	trans	-65.2	-43.5	174.5	-155.6	-164.1	137	0	0	112.4	T155 Q156 D157 D161 L162 R163 Q293	T155-E159 PolarHBondContact O-N 3.01Å; T155-E159 VanDerWaalsContact O-N 3.14Å; Q156-E159 PolarHBondContact O-N 2.94Å; D157-E159 VanDerWaalsContact C-N 3.28Å; D157-E159 PolarHBondContact O-N 3.34Å; E159-D161 VanDerWaalsContact C-N 3.33Å; E159-L162 PolarHBondContact O-N 3.47Å; E159-R163 WeakPolarHBondContact O-CG 3.47Å; E159-R163 PolarHBondContact O-N 2.94Å; E159-R163 IonicContact OE1-CZ 3.36Å; E159-R163 IonicContact OE1-NE 2.81Å; E159-R163 PolarHBondContact OE1-NE 3.38Å; E159-R163 IonicContact OE1-NH2 3.75Å; E159-R163 PolarHBondContact OE1-NH2 3.3Å; E159-R163 IonicContact OE2-NH2 3.22Å; E159-Q293 HydrophobicContact CG-CG 4.47Å
160	N	91.4	Very high	89.3	Confident	57 Å²	57	60.2 Å²	60.2	31%	0.305	28%	0.28	S	S	.	.	H	α-helix	trans	-63.8	-42	178.4	-72.8	-34.4	0	0	0	111	Q156 D157 R163 K164	Q156-N160 VanDerWaalsContact O-CG 3.29Å; Q156-N160 PolarHBondContact O-N 3.05Å; Q156-N160 PolarHBondContact O-ND2 2.87Å; D157-N160 PolarHBondContact O-N 2.94Å; N160-R163 PolarHBondContact O-N 2.83Å; N160-K164 WeakPolarHBondContact O-CG 3.39Å; N160-K164 PolarHBondContact O-N 3.35Å
161	D	89.4	Confident	89.4	Confident	37 Å²	37	60.4 Å²	60.4	20%	0.198	28%	0.277	C	S	.	.	H	α-helix	trans	-68.7	-36.3	176.8	-74.7	-11.4	0	0	0	112.3	D157 T158 E159 K164 L165 L229 K232	D157-D161 PolarHBondContact O-N 3.16Å; T158-D161 PolarHBondContact O-N 3.26Å; E159-D161 VanDerWaalsContact C-N 3.33Å; D161-K164 PolarHBondContact O-N 2.93Å; D161-K164 IonicContact OD1-NZ 2.96Å; D161-K164 PolarHBondContact OD1-NZ 3.32Å; D161-L165 VanDerWaalsContact O-CB 3.29Å; D161-L165 WeakPolarHBondContact O-CB 3.23Å; D161-L165 PolarHBondContact O-N 3.15Å; D161-L229 HydrophobicContact CB-CD1 4.18Å; D161-K232 IonicContact OD2-NZ 3.87Å; D161-K232 PolarHBondContact OD2-NZ 3.25Å
162	L	90.4	Very high	89.5	Confident	4 Å²	4	61 Å²	61	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-61.9	-42.8	171.7	-179.4	70.1	0	0	0	111.6	T158 E159 L165 Q166 L229 Q293 R296 A297 L300	T158-L162 VanDerWaalsContact O-CB 3.28Å; T158-L162 WeakPolarHBondContact O-CB 3.23Å; T158-L162 PolarHBondContact O-N 3.33Å; E159-L162 PolarHBondContact O-N 3.47Å; L162-L165 PolarHBondContact O-N 3.15Å; L162-Q166 WeakPolarHBondContact O-CB 3.49Å; L162-Q166 PolarHBondContact O-N 3.38Å; L162-L229 HydrophobicContact CB-CD2 4.28Å; L162-L229 HydrophobicContact CD1-CD2 3.84Å; L162-Q293 HydrophobicContact CD2-CB 4Å; L162-Q293 HydrophobicContact CD2-CG 4.14Å; L162-R296 HydrophobicContact CD2-CB 3.87Å; L162-A297 HydrophobicContact CD1-CB 4.01Å; L162-L300 HydrophobicContact CD1-CD1 3.85Å
163	R	90.9	Very high	89.5	Confident	126 Å²	126	57.1 Å²	57.1	48%	0.475	27%	0.268	S	S	.	.	H	α-helix	trans	-63.9	-42.3	175.5	-73.5	-170.2	-123	147.3	-0.6	112.1	E159 N160 Q166 H167	E159-R163 WeakPolarHBondContact O-CG 3.47Å; E159-R163 PolarHBondContact O-N 2.94Å; E159-R163 IonicContact OE1-CZ 3.36Å; E159-R163 IonicContact OE1-NE 2.81Å; E159-R163 PolarHBondContact OE1-NE 3.38Å; E159-R163 IonicContact OE1-NH2 3.75Å; E159-R163 PolarHBondContact OE1-NH2 3.3Å; E159-R163 IonicContact OE2-NH2 3.22Å; N160-R163 PolarHBondContact O-N 2.83Å; R163-Q166 PolarHBondContact O-N 3.16Å; R163-H167 PolarHBondContact O-N 2.9Å
164	K	89.7	Confident	89.5	Confident	112 Å²	112	57.2 Å²	57.2	49%	0.487	27%	0.267	S	S	.	.	H	α-helix	trans	-62.3	-44.1	174.3	-69.1	170.9	-160.5	155.3	0	111.2	N160 D161 Q166 H167 N168	N160-K164 WeakPolarHBondContact O-CG 3.39Å; N160-K164 PolarHBondContact O-N 3.35Å; D161-K164 PolarHBondContact O-N 2.93Å; D161-K164 IonicContact OD1-NZ 2.96Å; D161-K164 PolarHBondContact OD1-NZ 3.32Å; K164-Q166 VanDerWaalsContact C-N 3.34Å; K164-Q166 PolarHBondContact O-N 2.9Å; K164-H167 PolarHBondContact O-N 3.41Å; K164-N168 WeakPolarHBondContact O-CB 3.32Å; K164-N168 VanDerWaalsContact O-CG 3.22Å; K164-N168 PolarHBondContact O-N 3.46Å; K164-N168 PolarHBondContact O-ND2 2.92Å
165	L	88.3	Confident	89.4	Confident	6 Å²	6	56.5 Å²	56.5	3%	0.031	26%	0.263	C	S	.	.	H	α-helix	trans	-60.1	-45	177.2	179.9	71.3	0	0	0	111	D161 L162 N168 Q169 L222 R226 L229	D161-L165 VanDerWaalsContact O-CB 3.29Å; D161-L165 WeakPolarHBondContact O-CB 3.23Å; D161-L165 PolarHBondContact O-N 3.15Å; L162-L165 PolarHBondContact O-N 3.15Å; L165-N168 PolarHBondContact O-N 3.48Å; L165-Q169 VanDerWaalsContact O-CB 3.27Å; L165-Q169 WeakPolarHBondContact O-CB 3.41Å; L165-Q169 PolarHBondContact O-N 2.9Å; L165-L222 HydrophobicContact CD1-CD2 3.76Å; L165-R226 HydrophobicContact CD1-CG 4.02Å; L165-R226 HydrophobicContact CD2-CG 3.86Å; L165-L229 HydrophobicContact CD2-CD2 3.94Å
166	Q	89.1	Confident	89.3	Confident	73 Å²	73	62.1 Å²	62.1	34%	0.341	28%	0.284	S	S	.	.	H	α-helix	trans	-58.7	-50	175	177.5	173.5	2.8	0	0	111.4	L162 R163 K164 N168 Q169 E170 L300	L162-Q166 WeakPolarHBondContact O-CB 3.49Å; L162-Q166 PolarHBondContact O-N 3.38Å; R163-Q166 PolarHBondContact O-N 3.16Å; K164-Q166 VanDerWaalsContact C-N 3.34Å; K164-Q166 PolarHBondContact O-N 2.9Å; Q166-N168 PolarHBondContact O-N 3.41Å; Q166-Q169 PolarHBondContact O-N 2.67Å; Q166-E170 HydrophobicContact CG-CG 4.46Å; Q166-E170 WeakPolarHBondContact CG-OE1 3.27Å; Q166-E170 PolarHBondContact NE2-OE1 2.8Å; Q166-E170 WeakPolarHBondContact O-CG 3.37Å; Q166-E170 PolarHBondContact O-N 3.25Å; Q166-L300 HydrophobicContact CB-CD1 3.98Å; Q166-L300 HydrophobicContact CB-CD2 4.11Å; Q166-L300 HydrophobicContact CG-CD2 3.93Å
167	H	90.6	Very high	89.2	Confident	121 Å²	121	63.4 Å²	63.4	56%	0.56	29%	0.29	S	S	*	.	H	α-helix	trans	-60.3	-44.7	179.5	-176.7	66.4	0	0	0	112.4	R163 K164 Q169 E170 Y171	R163-H167 PolarHBondContact O-N 2.9Å; K164-H167 PolarHBondContact O-N 3.41Å; H167-Q169 VanDerWaalsContact C-N 3.31Å; H167-Q169 PolarHBondContact O-N 2.88Å; H167-E170 PolarHBondContact O-N 2.84Å; H167-Y171 WeakPolarHBondContact O-CB 3.22Å; H167-Y171 PolarHBondContact O-N 3.09Å
168	N	88.1	Confident	89	Confident	43 Å²	43	63.8 Å²	63.8	23%	0.23	29%	0.29	C	S	.	.	H	α-helix	trans	-64.4	-37.7	177.3	-68.1	-13.3	0	0	0	111.5	K164 L165 Q166 Y171 F172 L222	K164-N168 WeakPolarHBondContact O-CB 3.32Å; K164-N168 VanDerWaalsContact O-CG 3.22Å; K164-N168 PolarHBondContact O-N 3.46Å; K164-N168 PolarHBondContact O-ND2 2.92Å; L165-N168 PolarHBondContact O-N 3.48Å; Q166-N168 PolarHBondContact O-N 3.41Å; N168-Y171 PolarHBondContact O-N 3.33Å; N168-F172 VanDerWaalsContact O-CB 3.3Å; N168-F172 WeakPolarHBondContact O-CB 3.43Å; N168-F172 PolarHBondContact O-N 3.37Å; N168-L222 HydrophobicContact CB-CD2 3.83Å
169	Q	87	Confident	88.9	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-68.4	-42	176.5	-178.4	171.9	-23.2	0	0	112.1	L165 Q166 H167 Y171 F172 I173 L222 L300 L304	L165-Q169 VanDerWaalsContact O-CB 3.27Å; L165-Q169 WeakPolarHBondContact O-CB 3.41Å; L165-Q169 PolarHBondContact O-N 2.9Å; Q166-Q169 PolarHBondContact O-N 2.67Å; H167-Q169 VanDerWaalsContact C-N 3.31Å; H167-Q169 PolarHBondContact O-N 2.88Å; Q169-Y171 VanDerWaalsContact C-N 3.34Å; Q169-F172 WeakPolarHBondContact O-CB 3.29Å; Q169-F172 PolarHBondContact O-N 3.14Å; Q169-I173 HydrophobicContact CG-CD1 4.13Å; Q169-I173 VanDerWaalsContact O-CG1 3.26Å; Q169-I173 WeakPolarHBondContact O-CG1 3.48Å; Q169-I173 PolarHBondContact O-N 3.48Å; Q169-L222 HydrophobicContact CB-CD2 4.31Å; Q169-L300 PolarHBondContact NE2-O 3.42Å; Q169-L300 PolarHBondContact OE1-O 2.86Å; Q169-L304 HydrophobicContact CG-CB 4.39Å
170	E	89.6	Confident	88.7	Confident	83 Å²	83	65.5 Å²	65.5	39%	0.388	30%	0.301	S	S	.	.	H	α-helix	trans	-61.5	-44.2	174.1	-73.2	170.8	-172.7	0	0	110.9	Q166 H167 F172 I173 I174	Q166-E170 HydrophobicContact CG-CG 4.46Å; Q166-E170 WeakPolarHBondContact CG-OE1 3.27Å; Q166-E170 PolarHBondContact NE2-OE1 2.8Å; Q166-E170 WeakPolarHBondContact O-CG 3.37Å; Q166-E170 PolarHBondContact O-N 3.25Å; H167-E170 PolarHBondContact O-N 2.84Å; E170-F172 PolarHBondContact O-N 2.99Å; E170-I173 PolarHBondContact O-N 3.35Å; E170-I174 WeakPolarHBondContact O-CG1 3.45Å; E170-I174 PolarHBondContact O-N 3.09Å
171	Y	90.1	Very high	88.6	Confident	109 Å²	109	70.3 Å²	70.3	43%	0.427	32%	0.315	S	S	.	.	H	α-helix	trans	-62	-42.8	174.9	-173.4	-108.7	0	0	0	112.1	H167 N168 Q169 I173 I174 Q175 W214	H167-Y171 WeakPolarHBondContact O-CB 3.22Å; H167-Y171 PolarHBondContact O-N 3.09Å; N168-Y171 PolarHBondContact O-N 3.33Å; Q169-Y171 VanDerWaalsContact C-N 3.34Å; Y171-I173 VanDerWaalsContact C-N 3.35Å; Y171-I173 PolarHBondContact O-N 2.98Å; Y171-I174 PolarHBondContact O-N 3.22Å; Y171-Q175 HydrophobicContact CD1-CG 4.25Å; Y171-Q175 HydrophobicContact CE1-CG 3.87Å; Y171-Q175 HydrophobicContact CE2-CG 4.45Å; Y171-Q175 WeakPolarHBondContact O-CG 3.43Å; Y171-Q175 PolarHBondContact O-N 2.95Å; Y171-Q175 PolarHBondContact OH-NE2 2.88Å; Y171-W214 AromaticContact CD1-CH2 3.51Å; Y171-W214 HydrophobicContact CD1-CH2 3.51Å; Y171-W214 AromaticContact CD1-CZ2 3.68Å; Y171-W214 HydrophobicContact CD1-CZ2 3.68Å; Y171-W214 AromaticContact CE1-CH2 3.56Å; Y171-W214 HydrophobicContact CE1-CH2 3.56Å; Y171-W214 AromaticContact CE1-CZ2 3.4Å; Y171-W214 HydrophobicContact CE1-CZ2 3.4Å
172	F	88.7	Confident	88.4	Confident	16 Å²	16	68.9 Å²	68.9	7%	0.07	31%	0.307	C	S	.	.	H	α-helix	trans	-58.4	-45.2	174.1	179.5	-87.2	0	0	0	112	N168 Q169 E170 I174 Q175 Y176 W214 L215 E218 A219 L222 L304	N168-F172 VanDerWaalsContact O-CB 3.3Å; N168-F172 WeakPolarHBondContact O-CB 3.43Å; N168-F172 PolarHBondContact O-N 3.37Å; Q169-F172 WeakPolarHBondContact O-CB 3.29Å; Q169-F172 PolarHBondContact O-N 3.14Å; E170-F172 PolarHBondContact O-N 2.99Å; F172-I174 VanDerWaalsContact C-N 3.32Å; F172-I174 PolarHBondContact O-N 3.39Å; F172-Q175 PolarHBondContact O-N 2.82Å; F172-Y176 WeakPolarHBondContact O-CB 3.43Å; F172-Y176 PolarHBondContact O-N 3.21Å; F172-W214 HydrophobicContact CD2-CZ3 4.2Å; F172-L215 HydrophobicContact CD2-CD2 3.85Å; F172-L215 HydrophobicContact CE1-CD2 4.35Å; F172-L215 HydrophobicContact CE2-CB 4.18Å; F172-L215 HydrophobicContact CE2-CD2 3.52Å; F172-L215 HydrophobicContact CE2-CG 4.48Å; F172-L215 WeakPolarHBondContact CE2-O 3.17Å; F172-L215 HydrophobicContact CG-CD2 4.41Å; F172-L215 HydrophobicContact CZ-CD2 3.79Å; F172-E218 HydrophobicContact CD2-CB 3.9Å; F172-E218 HydrophobicContact CD2-CG 3.92Å; F172-E218 HydrophobicContact CE2-CB 4.27Å; F172-A219 HydrophobicContact CE2-CB 4.09Å; F172-A219 HydrophobicContact CZ-CB 4.25Å; F172-L222 HydrophobicContact CB-CD1 3.8Å; F172-L222 HydrophobicContact CD1-CD1 4.39Å; F172-L222 HydrophobicContact CD2-CD1 3.93Å; F172-L222 HydrophobicContact CG-CD1 3.78Å; F172-L304 HydrophobicContact CD1-CD1 3.87Å; F172-L304 HydrophobicContact CD1-CD2 4.04Å; F172-L304 HydrophobicContact CE1-CD1 3.83Å; F172-L304 HydrophobicContact CE1-CD2 3.99Å
173	I	87.9	Confident	88.2	Confident	45 Å²	45	73 Å²	73	23%	0.231	33%	0.326	C	S	.	.	H	α-helix	trans	-61	-42.3	177.7	-69.4	164.1	0	0	0	110.6	Q169 E170 Y171 Y176 Q177 L304	Q169-I173 HydrophobicContact CG-CD1 4.13Å; Q169-I173 VanDerWaalsContact O-CG1 3.26Å; Q169-I173 WeakPolarHBondContact O-CG1 3.48Å; Q169-I173 PolarHBondContact O-N 3.48Å; E170-I173 PolarHBondContact O-N 3.35Å; Y171-I173 VanDerWaalsContact C-N 3.35Å; Y171-I173 PolarHBondContact O-N 2.98Å; I173-Y176 PolarHBondContact O-N 3.3Å; I173-Q177 WeakPolarHBondContact O-CG 3.49Å; I173-Q177 PolarHBondContact O-N 3.46Å; I173-L304 HydrophobicContact CG1-CD1 3.95Å
174	I	89.4	Confident	87.9	Confident	96 Å²	96	69.4 Å²	69.4	49%	0.492	32%	0.324	S	S	.	.	H	α-helix	trans	-62.6	-46.2	176.9	-66.6	165	0	0	0	111	E170 Y171 F172 Y176 Q177 E178	E170-I174 WeakPolarHBondContact O-CG1 3.45Å; E170-I174 PolarHBondContact O-N 3.09Å; Y171-I174 PolarHBondContact O-N 3.22Å; F172-I174 VanDerWaalsContact C-N 3.32Å; F172-I174 PolarHBondContact O-N 3.39Å; I174-Y176 VanDerWaalsContact C-N 3.3Å; I174-Y176 PolarHBondContact O-N 2.58Å; I174-Q177 PolarHBondContact O-N 3.26Å; I174-E178 PolarHBondContact O-N 3Å
175	Q	86.6	Confident	87.7	Confident	43 Å²	43	67.7 Å²	67.7	20%	0.201	32%	0.318	C	S	.	.	H	α-helix	trans	-65.5	-34.8	177.4	-66.9	-56.9	-45	0	0	112.2	Y171 F172 E178 S179 W214 L215	Y171-Q175 HydrophobicContact CD1-CG 4.25Å; Y171-Q175 HydrophobicContact CE1-CG 3.87Å; Y171-Q175 HydrophobicContact CE2-CG 4.45Å; Y171-Q175 WeakPolarHBondContact O-CG 3.43Å; Y171-Q175 PolarHBondContact O-N 2.95Å; Y171-Q175 PolarHBondContact OH-NE2 2.88Å; F172-Q175 PolarHBondContact O-N 2.82Å; Q175-E178 PolarHBondContact O-N 2.99Å; Q175-S179 PolarHBondContact O-N 3.34Å; Q175-W214 HydrophobicContact CB-CE3 3.96Å; Q175-W214 HydrophobicContact CB-CH2 4.17Å; Q175-W214 HydrophobicContact CB-CZ3 3.43Å; Q175-W214 VanDerWaalsContact CB-CZ3 3.43Å; Q175-W214 HydrophobicContact CG-CE3 4.07Å; Q175-W214 HydrophobicContact CG-CH2 3.77Å; Q175-W214 HydrophobicContact CG-CZ3 3.49Å; Q175-W214 VanDerWaalsContact CG-CZ3 3.49Å; Q175-L215 HydrophobicContact CB-CD2 4.14Å
176	Y	87.1	Confident	87.3	Confident	119 Å²	119	68.9 Å²	68.9	47%	0.467	32%	0.324	S	S	.	.	H	α-helix	trans	-66.1	-41.4	174.6	-173.5	-100.5	0	0	0	111.7	F172 I173 I174 E178 S179 L180 L215	F172-Y176 WeakPolarHBondContact O-CB 3.43Å; F172-Y176 PolarHBondContact O-N 3.21Å; I173-Y176 PolarHBondContact O-N 3.3Å; I174-Y176 VanDerWaalsContact C-N 3.3Å; I174-Y176 PolarHBondContact O-N 2.58Å; Y176-E178 VanDerWaalsContact C-N 3.33Å; Y176-E178 PolarHBondContact O-N 3.37Å; Y176-S179 WeakPolarHBondContact O-CB 3.32Å; Y176-S179 PolarHBondContact O-N 3.05Å; Y176-L180 HydrophobicContact CD1-CD1 3.93Å; Y176-L180 HydrophobicContact CE1-CD1 3.66Å; Y176-L180 HydrophobicContact CE1-CG 4.26Å; Y176-L180 PolarHBondContact O-N 3.02Å; Y176-L215 HydrophobicContact CD2-CD1 4.11Å; Y176-L215 HydrophobicContact CD2-CD2 4.4Å
177	Q	87.9	Confident	87	Confident	119 Å²	119	69.4 Å²	69.4	56%	0.556	34%	0.336	S	S	*	.	H	α-helix	trans	-63.1	-38.7	172.7	-72.3	175.7	3.8	0	0	112.2	I173 I174 L180 R181	I173-Q177 WeakPolarHBondContact O-CG 3.49Å; I173-Q177 PolarHBondContact O-N 3.46Å; I174-Q177 PolarHBondContact O-N 3.26Å; Q177-L180 WeakPolarHBondContact O-CB 3.41Å; Q177-L180 PolarHBondContact O-N 3.23Å; Q177-R181 WeakPolarHBondContact O-CB 3.24Å; Q177-R181 PolarHBondContact O-N 2.97Å
178	E	87.4	Confident	86.5	Confident	74 Å²	74	66.6 Å²	66.6	35%	0.346	33%	0.33	S	S	.	.	H	α-helix	trans	-65.6	-38.9	174.6	-175.4	59.2	-163.2	0	0	111.7	I174 Q175 Y176 L180 R181 I182	I174-E178 PolarHBondContact O-N 3Å; Q175-E178 PolarHBondContact O-N 2.99Å; Y176-E178 VanDerWaalsContact C-N 3.33Å; Y176-E178 PolarHBondContact O-N 3.37Å; E178-L180 PolarHBondContact O-N 2.96Å; E178-R181 WeakPolarHBondContact O-CB 3.37Å; E178-R181 PolarHBondContact O-N 2.77Å; E178-R181 VanDerWaalsContact O-N 3.14Å; E178-I182 HydrophobicContact CG-CD1 4.16Å; E178-I182 VanDerWaalsContact O-CG1 3.31Å; E178-I182 WeakPolarHBondContact O-CG1 3.2Å; E178-I182 PolarHBondContact O-N 3Å
179	S	86.1	Confident	85.9	Confident	8 Å²	8	65 Å²	65	6%	0.056	32%	0.321	C	S	.	.	H	α-helix	trans	-57.9	-46.6	171.7	-174.4	0	0	0	0	111.9	Q175 Y176 R181 I182 Q183	Q175-S179 PolarHBondContact O-N 3.34Å; Y176-S179 WeakPolarHBondContact O-CB 3.32Å; Y176-S179 PolarHBondContact O-N 3.05Å; S179-R181 VanDerWaalsContact C-N 3.3Å; S179-R181 PolarHBondContact O-N 3.5Å; S179-I182 PolarHBondContact O-N 2.84Å; S179-Q183 WeakPolarHBondContact O-CB 3.38Å; S179-Q183 PolarHBondContact O-N 2.98Å
180	L	87.1	Confident	85	Confident	83 Å²	83	68 Å²	68	44%	0.435	35%	0.346	S	S	.	.	H	α-helix	trans	-61.1	-38.4	174.7	-73.2	166.8	0	0	0	112	Y176 Q177 E178 Q183 A184	Y176-L180 HydrophobicContact CD1-CD1 3.93Å; Y176-L180 HydrophobicContact CE1-CD1 3.66Å; Y176-L180 HydrophobicContact CE1-CG 4.26Å; Y176-L180 PolarHBondContact O-N 3.02Å; Q177-L180 WeakPolarHBondContact O-CB 3.41Å; Q177-L180 PolarHBondContact O-N 3.23Å; E178-L180 PolarHBondContact O-N 2.96Å; L180-Q183 PolarHBondContact O-N 3.46Å; L180-A184 WeakPolarHBondContact O-CB 3.38Å; L180-A184 PolarHBondContact O-N 3.18Å
181	R	89.1	Confident	84.2	Confident	158 Å²	158	70.1 Å²	70.1	60%	0.596	37%	0.365	S	S	*	.	H	α-helix	trans	-65.6	-43.1	176.3	-167.7	-178.1	-172.8	159.6	2.5	111.9	Q177 E178 S179 Q183 A184 Q185	Q177-R181 WeakPolarHBondContact O-CB 3.24Å; Q177-R181 PolarHBondContact O-N 2.97Å; E178-R181 WeakPolarHBondContact O-CB 3.37Å; E178-R181 PolarHBondContact O-N 2.77Å; E178-R181 VanDerWaalsContact O-N 3.14Å; S179-R181 VanDerWaalsContact C-N 3.3Å; S179-R181 PolarHBondContact O-N 3.5Å; R181-Q183 VanDerWaalsContact C-N 3.31Å; R181-A184 PolarHBondContact O-N 2.86Å; R181-Q185 WeakPolarHBondContact O-CG 3.32Å; R181-Q185 PolarHBondContact O-N 2.81Å
182	I	85.3	Confident	83.4	Confident	7 Å²	7	68.7 Å²	68.7	4%	0.036	36%	0.364	C	S	.	.	H	α-helix	trans	-63.4	-40.1	174.6	-66.3	165.2	0	0	0	110.2	E178 S179 Q185 L186 L204 R208 V211	E178-I182 HydrophobicContact CG-CD1 4.16Å; E178-I182 VanDerWaalsContact O-CG1 3.31Å; E178-I182 WeakPolarHBondContact O-CG1 3.2Å; E178-I182 PolarHBondContact O-N 3Å; S179-I182 PolarHBondContact O-N 2.84Å; I182-Q185 WeakPolarHBondContact O-CB 3.48Å; I182-Q185 PolarHBondContact O-N 3.42Å; I182-L186 HydrophobicContact CG2-CD1 4.31Å; I182-L186 WeakPolarHBondContact O-CG 3.25Å; I182-L186 PolarHBondContact O-N 3.21Å; I182-L204 HydrophobicContact CG2-CD2 4.32Å; I182-R208 HydrophobicContact CG2-CB 4.1Å; I182-V211 HydrophobicContact CD1-CG2 4.44Å
183	Q	85.3	Confident	82.6	Confident	90 Å²	90	71 Å²	71	42%	0.421	38%	0.381	S	S	.	.	H	α-helix	trans	-63.7	-41.8	175.3	-173.2	172.3	1.7	0	0	111.9	S179 L180 R181 L186 S187	S179-Q183 WeakPolarHBondContact O-CB 3.38Å; S179-Q183 PolarHBondContact O-N 2.98Å; L180-Q183 PolarHBondContact O-N 3.46Å; R181-Q183 VanDerWaalsContact C-N 3.31Å; Q183-L186 PolarHBondContact O-N 3.39Å; Q183-S187 PolarHBondContact O-N 2.95Å
184	A	86.1	Confident	81.8	Confident	52 Å²	52	73.7 Å²	73.7	43%	0.43	40%	0.401	S	S	.	.	H	α-helix	trans	-62.7	-42.6	173.1	0	0	0	0	0	111.5	L180 R181 L186 S187 S188	L180-A184 WeakPolarHBondContact O-CB 3.38Å; L180-A184 PolarHBondContact O-N 3.18Å; R181-A184 PolarHBondContact O-N 2.86Å; A184-L186 PolarHBondContact O-N 3.23Å; A184-S187 WeakPolarHBondContact CA-OG 3.43Å; A184-S187 PolarHBondContact O-N 3.18Å; A184-S187 PolarHBondContact O-OG 3.32Å; A184-S188 PolarHBondContact O-N 3.28Å
185	Q	84.1	Confident	80.9	Confident	75 Å²	75	73 Å²	73	35%	0.35	40%	0.404	S	S	.	.	H	α-helix	trans	-60.7	-43.4	174.6	-73.9	176.2	-2.8	0	0	112.1	R181 I182 S187 S188 L189	R181-Q185 WeakPolarHBondContact O-CG 3.32Å; R181-Q185 PolarHBondContact O-N 2.81Å; I182-Q185 WeakPolarHBondContact O-CB 3.48Å; I182-Q185 PolarHBondContact O-N 3.42Å; Q185-S187 VanDerWaalsContact C-N 3.34Å; Q185-S187 PolarHBondContact O-N 3.36Å; Q185-S188 WeakPolarHBondContact CA-OG 3.39Å; Q185-S188 PolarHBondContact O-N 2.89Å; Q185-S188 PolarHBondContact O-OG 3.17Å; Q185-L189 WeakPolarHBondContact O-CD1 3.2Å; Q185-L189 WeakPolarHBondContact O-CG 3.24Å; Q185-L189 PolarHBondContact O-N 3.2Å
186	L	81.1	Confident	80	Confident	31 Å²	31	75.1 Å²	75.1	16%	0.162	42%	0.417	C	S	.	.	H	α-helix	trans	-60.5	-41.6	173.9	-77	169.3	0	0	0	112.1	I182 Q183 A184 S188 L189 L204 L205	I182-L186 HydrophobicContact CG2-CD1 4.31Å; I182-L186 WeakPolarHBondContact O-CG 3.25Å; I182-L186 PolarHBondContact O-N 3.21Å; Q183-L186 PolarHBondContact O-N 3.39Å; A184-L186 PolarHBondContact O-N 3.23Å; L186-S188 VanDerWaalsContact C-N 3.34Å; L186-L189 PolarHBondContact O-N 3.46Å; L186-L204 HydrophobicContact CD2-CB 3.68Å; L186-L204 HydrophobicContact CD2-CD1 4.36Å; L186-L204 HydrophobicContact CG-CB 4.13Å; L186-L205 HydrophobicContact CD1-CD2 4.17Å; L186-L205 HydrophobicContact CD2-CD2 4.43Å; L186-L205 HydrophobicContact CD2-CG 4.31Å
187	S	82.2	Confident	79.3	Confident	85 Å²	85	74 Å²	74	59%	0.594	41%	0.412	S	S	*	.	H	α-helix	trans	-66.6	-34.9	175.3	69.5	0	0	0	0	112.8	Q183 A184 Q185 A190	Q183-S187 PolarHBondContact O-N 2.95Å; A184-S187 WeakPolarHBondContact CA-OG 3.43Å; A184-S187 PolarHBondContact O-N 3.18Å; A184-S187 PolarHBondContact O-OG 3.32Å; Q185-S187 VanDerWaalsContact C-N 3.34Å; Q185-S187 PolarHBondContact O-N 3.36Å; S187-A190 WeakPolarHBondContact O-CB 3.36Å; S187-A190 PolarHBondContact O-N 2.78Å
188	S	80.6	Confident	78.5	Confident	62 Å²	62	75.8 Å²	75.8	43%	0.434	42%	0.421	S	S	.	.	H	α-helix	trans	-73.2	-25.8	175.9	73.7	0	0	0	0	113.4	A184 Q185 L186 A190 T191	A184-S188 PolarHBondContact O-N 3.28Å; Q185-S188 WeakPolarHBondContact CA-OG 3.39Å; Q185-S188 PolarHBondContact O-N 2.89Å; Q185-S188 PolarHBondContact O-OG 3.17Å; L186-S188 VanDerWaalsContact C-N 3.34Å; S188-A190 PolarHBondContact O-N 3.07Å; S188-T191 PolarHBondContact O-N 3.4Å; S188-T191 PolarHBondContact O-OG1 3.48Å
189	L	74.6	Confident	77.9	Confident	10 Å²	10	79.2 Å²	79.2	5%	0.052	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-68.2	-16.2	175.2	-84.5	154	0	0	0	113.3	Q185 L186 T191 L192 R200 L204	Q185-L189 WeakPolarHBondContact O-CD1 3.2Å; Q185-L189 WeakPolarHBondContact O-CG 3.24Å; Q185-L189 PolarHBondContact O-N 3.2Å; L186-L189 PolarHBondContact O-N 3.46Å; L189-T191 PolarHBondContact O-N 2.98Å; L189-L192 HydrophobicContact CD2-CD1 3.89Å; L189-L192 PolarHBondContact O-N 3.04Å; L189-R200 HydrophobicContact CD2-CB 4.25Å; L189-L204 HydrophobicContact CD1-CD1 3.15Å
190	A	68.5	Low	77.5	Confident	64 Å²	64	86.5 Å²	86.5	53%	0.529	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-66	-16.7	173.5	0	0	0	0	0	113.4	S187 S188	S187-A190 WeakPolarHBondContact O-CB 3.36Å; S187-A190 PolarHBondContact O-N 2.78Å; S188-A190 PolarHBondContact O-N 3.07Å
191	T	73.4	Confident	77.1	Confident	126 Å²	126	85.3 Å²	85.3	77%	0.773	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-97.6	-2.6	-178.9	64.4	0	0	0	0	114.3	S188 L189	S188-T191 PolarHBondContact O-N 3.4Å; S188-T191 PolarHBondContact O-OG1 3.48Å; L189-T191 PolarHBondContact O-N 2.98Å
192	L	72	Confident	76.8	Confident	80 Å²	80	81.4 Å²	81.4	42%	0.419	45%	0.454	S	S	.	.	S	Bend	trans	-97.1	158.9	-177.3	-79.6	163.4	0	0	0	112.9	L189	L189-L192 HydrophobicContact CD2-CD1 3.89Å; L189-L192 PolarHBondContact O-N 3.04Å
193	P	73.5	Confident	76.8	Confident	65 Å²	65	83.9 Å²	83.9	42%	0.422	48%	0.476	S	S	.	.			trans	-62.4	150.5	179.4	21.8	-30.4	0	0	0	113.4	S195 D196 R197	P193-S195 VanDerWaalsContact C-N 3.28Å; P193-S195 PolarHBondContact O-N 2.78Å; P193-S195 VanDerWaalsContact O-N 3.15Å; P193-D196 PolarHBondContact O-N 2.92Å; P193-R197 PolarHBondContact O-N 3.15Å
194	P	70.8	Confident	76.7	Confident	100 Å²	100	80.7 Å²	80.7	65%	0.649	46%	0.462	S	S	*	.	H	α-helix	trans	-63	-25.7	-167.3	20.6	-31.5	0	0	0	115.1	Q198	P194-Q198 PolarHBondContact O-N 3.26Å
195	S	69.9	Low	76.6	Confident	81 Å²	81	82.2 Å²	82.2	57%	0.566	46%	0.462	S	S	*	.	H	α-helix	trans	-69.9	-42.5	178.7	45.8	0	0	0	0	113.3	P193 R197	P193-S195 VanDerWaalsContact C-N 3.28Å; P193-S195 PolarHBondContact O-N 2.78Å; P193-S195 VanDerWaalsContact O-N 3.15Å; S195-R197 VanDerWaalsContact C-N 3.35Å
196	D	68.9	Low	76.6	Confident	88 Å²	88	82.1 Å²	82.1	47%	0.471	47%	0.47	S	S	.	.	H	α-helix	trans	-75.9	-29.1	177.9	-74.8	-20.8	0	0	0	111.7	P193 L199 R200	P193-D196 PolarHBondContact O-N 2.92Å; D196-L199 PolarHBondContact O-N 3.01Å; D196-R200 PolarHBondContact O-N 3.47Å
197	R	70.5	Confident	76.9	Confident	95 Å²	95	87.1 Å²	87.1	36%	0.358	49%	0.49	S	S	.	.	H	α-helix	trans	-64.8	-48.3	176.1	-175.4	177.8	173.7	168.4	6.4	111.8	P193 S195 L199 R200 E201	P193-R197 PolarHBondContact O-N 3.15Å; S195-R197 VanDerWaalsContact C-N 3.35Å; R197-L199 PolarHBondContact O-N 3.42Å; R197-R200 PolarHBondContact O-N 3.21Å; R197-E201 HydrophobicContact CG-CB 4.41Å; R197-E201 VanDerWaalsContact CG-OE2 3.26Å; R197-E201 WeakPolarHBondContact CG-OE2 3.49Å; R197-E201 IonicContact CZ-OE1 3.47Å; R197-E201 IonicContact CZ-OE2 3.32Å; R197-E201 IonicContact NE-OE1 2.69Å; R197-E201 PolarHBondContact NE-OE1 3.07Å; R197-E201 IonicContact NE-OE2 3.03Å; R197-E201 PolarHBondContact NE-OE2 3.06Å; R197-E201 IonicContact NH2-OE1 3.65Å; R197-E201 PolarHBondContact NH2-OE1 3.4Å; R197-E201 IonicContact NH2-OE2 2.77Å; R197-E201 WeakPolarHBondContact O-CB 3.17Å; R197-E201 PolarHBondContact O-N 3.39Å
198	Q	72	Confident	77	Confident	158 Å²	158	86.6 Å²	86.6	74%	0.738	48%	0.475	S	S	*	.	H	α-helix	trans	-60.3	-27.2	179.5	-82.4	-174.5	-26.6	0	0	113.7	P194 P202	P194-Q198 PolarHBondContact O-N 3.26Å; Q198-P202 WeakPolarHBondContact O-CD 3.27Å; Q198-P202 WeakPolarHBondContact O-CG 3.4Å
199	L	75.8	Confident	77.3	Confident	146 Å²	146	86.3 Å²	86.3	76%	0.764	48%	0.477	S	S	*	.	H	α-helix	trans	-83.7	-37.9	-179.7	-156.4	81.6	0	0	0	113.1	D196 R197	D196-L199 PolarHBondContact O-N 3.01Å; R197-L199 PolarHBondContact O-N 3.42Å
200	R	76.4	Confident	78	Confident	160 Å²	160	90.2 Å²	90.2	60%	0.604	50%	0.501	S	S	*	.	H	α-helix	trans	-94.9	-30.4	-175	-91.4	-179.7	173.4	156.8	-1.2	114.9	L189 D196 R197 A203 L204	L189-R200 HydrophobicContact CD2-CB 4.25Å; D196-R200 PolarHBondContact O-N 3.47Å; R197-R200 PolarHBondContact O-N 3.21Å; R200-A203 PolarHBondContact O-N 3.14Å; R200-L204 PolarHBondContact O-N 2.8Å; R200-L204 VanDerWaalsContact O-N 3.15Å
201	E	79.3	Confident	78.9	Confident	59 Å²	59	88.3 Å²	88.3	28%	0.276	48%	0.483	S	S	.	.	H	α-helix	trans	-58.2	-46.6	-177.5	-172.6	167.5	-152.1	0	0	113.5	R197 A203 L204 L205	R197-E201 HydrophobicContact CG-CB 4.41Å; R197-E201 VanDerWaalsContact CG-OE2 3.26Å; R197-E201 WeakPolarHBondContact CG-OE2 3.49Å; R197-E201 IonicContact CZ-OE1 3.47Å; R197-E201 IonicContact CZ-OE2 3.32Å; R197-E201 IonicContact NE-OE1 2.69Å; R197-E201 PolarHBondContact NE-OE1 3.07Å; R197-E201 IonicContact NE-OE2 3.03Å; R197-E201 PolarHBondContact NE-OE2 3.06Å; R197-E201 IonicContact NH2-OE1 3.65Å; R197-E201 PolarHBondContact NH2-OE1 3.4Å; R197-E201 IonicContact NH2-OE2 2.77Å; R197-E201 WeakPolarHBondContact O-CB 3.17Å; R197-E201 PolarHBondContact O-N 3.39Å; E201-A203 PolarHBondContact O-N 3.12Å; E201-L204 PolarHBondContact O-N 3.38Å; E201-L205 HydrophobicContact CG-CD1 3.97Å; E201-L205 WeakPolarHBondContact O-CB 3.46Å; E201-L205 WeakPolarHBondContact O-CG 3.45Å; E201-L205 PolarHBondContact O-N 3.4Å
202	P	82.9	Confident	79.5	Confident	76 Å²	76	85.7 Å²	85.7	49%	0.494	46%	0.462	S	S	.	.	H	α-helix	trans	-67.2	-35.5	180	10.5	-9.5	0	0	0	113.1	Q198 S206	Q198-P202 WeakPolarHBondContact O-CD 3.27Å; Q198-P202 WeakPolarHBondContact O-CG 3.4Å; P202-S206 WeakPolarHBondContact O-CB 3.46Å; P202-S206 PolarHBondContact O-N 3.22Å
203	A	84.9	Confident	80.3	Confident	59 Å²	59	84.9 Å²	84.9	49%	0.488	47%	0.467	S	S	.	.	H	α-helix	trans	-67.1	-39.2	178.4	0	0	0	0	0	112.1	R200 E201 K207	R200-A203 PolarHBondContact O-N 3.14Å; E201-A203 PolarHBondContact O-N 3.12Å; A203-K207 WeakPolarHBondContact O-CB 3.32Å; A203-K207 WeakPolarHBondContact O-CG 3.19Å; A203-K207 PolarHBondContact O-N 3.25Å
204	L	83.1	Confident	81.2	Confident	23 Å²	23	85.5 Å²	85.5	12%	0.12	46%	0.461	C	S	.	.	H	α-helix	trans	-74.7	-36.7	177.6	-72.5	167.8	0	0	0	112.5	I182 L186 L189 R200 E201 K207 R208	I182-L204 HydrophobicContact CG2-CD2 4.32Å; L186-L204 HydrophobicContact CD2-CB 3.68Å; L186-L204 HydrophobicContact CD2-CD1 4.36Å; L186-L204 HydrophobicContact CG-CB 4.13Å; L189-L204 HydrophobicContact CD1-CD1 3.15Å; R200-L204 PolarHBondContact O-N 2.8Å; R200-L204 VanDerWaalsContact O-N 3.15Å; E201-L204 PolarHBondContact O-N 3.38Å; L204-K207 PolarHBondContact O-N 3.47Å; L204-R208 WeakPolarHBondContact O-CB 3.22Å; L204-R208 PolarHBondContact O-N 3.38Å
205	L	83.8	Confident	82	Confident	83 Å²	83	81.5 Å²	81.5	44%	0.435	43%	0.434	S	S	.	.	H	α-helix	trans	-63.9	-42	172.4	-73.8	169.5	0	0	0	111.7	L186 E201 R208 A209	L186-L205 HydrophobicContact CD1-CD2 4.17Å; L186-L205 HydrophobicContact CD2-CD2 4.43Å; L186-L205 HydrophobicContact CD2-CG 4.31Å; E201-L205 HydrophobicContact CG-CD1 3.97Å; E201-L205 WeakPolarHBondContact O-CB 3.46Å; E201-L205 WeakPolarHBondContact O-CG 3.45Å; E201-L205 PolarHBondContact O-N 3.4Å; L205-R208 PolarHBondContact O-N 2.91Å; L205-A209 WeakPolarHBondContact O-CB 3.48Å; L205-A209 PolarHBondContact O-N 3.07Å
206	S	85.3	Confident	82.8	Confident	74 Å²	74	81.9 Å²	81.9	52%	0.517	43%	0.433	S	S	.	.	H	α-helix	trans	-63.8	-44.3	175	178.8	0	0	0	0	111.9	P202 R208 A209 T210	P202-S206 WeakPolarHBondContact O-CB 3.46Å; P202-S206 PolarHBondContact O-N 3.22Å; S206-R208 PolarHBondContact O-N 3.01Å; S206-A209 PolarHBondContact O-N 3.35Å; S206-T210 PolarHBondContact O-N 2.83Å; S206-T210 PolarHBondContact O-OG1 2.79Å
207	K	85.6	Confident	83.7	Confident	135 Å²	135	86.5 Å²	86.5	59%	0.587	44%	0.444	S	S	*	.	H	α-helix	trans	-59.8	-45.3	173.4	-83	-174	174.6	-174	0	111.9	A203 L204 T210 V211	A203-K207 WeakPolarHBondContact O-CB 3.32Å; A203-K207 WeakPolarHBondContact O-CG 3.19Å; A203-K207 PolarHBondContact O-N 3.25Å; L204-K207 PolarHBondContact O-N 3.47Å; K207-T210 PolarHBondContact O-N 2.98Å; K207-V211 WeakPolarHBondContact O-CG2 3.33Å; K207-V211 PolarHBondContact O-N 2.89Å
208	R	85.7	Confident	84.6	Confident	74 Å²	74	83.4 Å²	83.4	28%	0.279	43%	0.433	S	S	.	.	H	α-helix	trans	-59.4	-49.1	177	-179.1	-178.2	167.9	-163.8	-7.3	111.7	I182 L204 L205 S206 T210 V211 E212	I182-R208 HydrophobicContact CG2-CB 4.1Å; L204-R208 WeakPolarHBondContact O-CB 3.22Å; L204-R208 PolarHBondContact O-N 3.38Å; L205-R208 PolarHBondContact O-N 2.91Å; S206-R208 PolarHBondContact O-N 3.01Å; R208-T210 VanDerWaalsContact C-N 3.26Å; R208-T210 PolarHBondContact O-N 3.28Å; R208-V211 PolarHBondContact O-N 2.97Å; R208-E212 HydrophobicContact CG-CG 4.21Å; R208-E212 IonicContact CZ-OE1 2.74Å; R208-E212 VanDerWaalsContact CZ-OE1 3.22Å; R208-E212 IonicContact NE-OE1 3.63Å; R208-E212 PolarHBondContact NE-OE1 3.35Å; R208-E212 IonicContact NE-OE2 3.2Å; R208-E212 IonicContact NH2-OE1 3.41Å; R208-E212 PolarHBondContact NH2-OE1 2.98Å; R208-E212 WeakPolarHBondContact O-CB 3.12Å; R208-E212 WeakPolarHBondContact O-CG 3.31Å; R208-E212 PolarHBondContact O-N 3.48Å
209	A	86.4	Confident	85.3	Confident	57 Å²	57	77 Å²	77	47%	0.471	41%	0.407	S	S	.	.	H	α-helix	trans	-60.4	-37.2	178.8	0	0	0	0	0	112.2	L205 S206 A213	L205-A209 WeakPolarHBondContact O-CB 3.48Å; L205-A209 PolarHBondContact O-N 3.07Å; S206-A209 PolarHBondContact O-N 3.35Å; A209-A213 VanDerWaalsContact O-CB 3.25Å; A209-A213 WeakPolarHBondContact O-CB 3.36Å; A209-A213 PolarHBondContact O-N 3.21Å
210	T	89	Confident	85.8	Confident	92 Å²	92	74.9 Å²	74.9	56%	0.564	40%	0.397	S	S	*	.	H	α-helix	trans	-67.1	-44.1	176.7	-49	0	0	0	0	111.4	S206 K207 R208 W214	S206-T210 PolarHBondContact O-N 2.83Å; S206-T210 PolarHBondContact O-OG1 2.79Å; K207-T210 PolarHBondContact O-N 2.98Å; R208-T210 VanDerWaalsContact C-N 3.26Å; R208-T210 PolarHBondContact O-N 3.28Å; T210-W214 WeakPolarHBondContact O-CB 3.34Å; T210-W214 PolarHBondContact O-N 3.46Å
211	V	87.1	Confident	86.4	Confident	23 Å²	23	69.1 Å²	69.1	14%	0.139	38%	0.379	C	S	.	.	H	α-helix	trans	-69.3	-41.5	178.2	175.1	0	0	0	0	111.3	I182 K207 R208 W214 L215	I182-V211 HydrophobicContact CD1-CG2 4.44Å; K207-V211 WeakPolarHBondContact O-CG2 3.33Å; K207-V211 PolarHBondContact O-N 2.89Å; R208-V211 PolarHBondContact O-N 2.97Å; V211-W214 PolarHBondContact O-N 2.86Å; V211-L215 HydrophobicContact CG1-CD1 3.89Å; V211-L215 HydrophobicContact CG1-CG 4.25Å; V211-L215 WeakPolarHBondContact O-CB 3.22Å; V211-L215 VanDerWaalsContact O-CG 3.25Å; V211-L215 WeakPolarHBondContact O-CG 3.12Å; V211-L215 PolarHBondContact O-N 3.16Å
212	E	86.8	Confident	86.8	Confident	71 Å²	71	66.3 Å²	66.3	33%	0.332	37%	0.366	S	S	.	.	H	α-helix	trans	-64.6	-41.2	175.8	-76.5	179.4	166.5	0	0	112.1	R208 W214 L215 T216	R208-E212 HydrophobicContact CG-CG 4.21Å; R208-E212 IonicContact CZ-OE1 2.74Å; R208-E212 VanDerWaalsContact CZ-OE1 3.22Å; R208-E212 IonicContact NE-OE1 3.63Å; R208-E212 PolarHBondContact NE-OE1 3.35Å; R208-E212 IonicContact NE-OE2 3.2Å; R208-E212 IonicContact NH2-OE1 3.41Å; R208-E212 PolarHBondContact NH2-OE1 2.98Å; R208-E212 WeakPolarHBondContact O-CB 3.12Å; R208-E212 WeakPolarHBondContact O-CG 3.31Å; R208-E212 PolarHBondContact O-N 3.48Å; E212-W214 VanDerWaalsContact C-N 3.32Å; E212-W214 PolarHBondContact O-N 2.63Å; E212-L215 PolarHBondContact O-N 3.36Å; E212-T216 WeakPolarHBondContact O-CB 3.26Å; E212-T216 PolarHBondContact O-N 3.2Å; E212-T216 PolarHBondContact O-OG1 3.15Å
213	A	89	Confident	86.9	Confident	64 Å²	64	64.9 Å²	64.9	53%	0.529	35%	0.353	S	S	.	.	H	α-helix	trans	-63.3	-40.2	174.2	0	0	0	0	0	111.6	A209 R217	A209-A213 VanDerWaalsContact O-CB 3.25Å; A209-A213 WeakPolarHBondContact O-CB 3.36Å; A209-A213 PolarHBondContact O-N 3.21Å; A213-R217 PolarHBondContact O-N 2.67Å; A213-R217 VanDerWaalsContact O-N 3.13Å
214	W	91.8	Very high	87	Confident	78 Å²	78	68.3 Å²	68.3	30%	0.295	36%	0.357	S	S	.	.	H	α-helix	trans	-64.8	-47.8	174.2	-176.4	88.6	0	0	0	111.8	Y171 F172 Q175 T210 V211 E212 T216 R217 E218	Y171-W214 AromaticContact CD1-CH2 3.51Å; Y171-W214 HydrophobicContact CD1-CH2 3.51Å; Y171-W214 AromaticContact CD1-CZ2 3.68Å; Y171-W214 HydrophobicContact CD1-CZ2 3.68Å; Y171-W214 AromaticContact CE1-CH2 3.56Å; Y171-W214 HydrophobicContact CE1-CH2 3.56Å; Y171-W214 AromaticContact CE1-CZ2 3.4Å; Y171-W214 HydrophobicContact CE1-CZ2 3.4Å; F172-W214 HydrophobicContact CD2-CZ3 4.2Å; Q175-W214 HydrophobicContact CB-CE3 3.96Å; Q175-W214 HydrophobicContact CB-CH2 4.17Å; Q175-W214 HydrophobicContact CB-CZ3 3.43Å; Q175-W214 VanDerWaalsContact CB-CZ3 3.43Å; Q175-W214 HydrophobicContact CG-CE3 4.07Å; Q175-W214 HydrophobicContact CG-CH2 3.77Å; Q175-W214 HydrophobicContact CG-CZ3 3.49Å; Q175-W214 VanDerWaalsContact CG-CZ3 3.49Å; T210-W214 WeakPolarHBondContact O-CB 3.34Å; T210-W214 PolarHBondContact O-N 3.46Å; V211-W214 PolarHBondContact O-N 2.86Å; E212-W214 VanDerWaalsContact C-N 3.32Å; E212-W214 PolarHBondContact O-N 2.63Å; W214-T216 VanDerWaalsContact C-N 3.33Å; W214-T216 PolarHBondContact O-N 2.87Å; W214-R217 PolarHBondContact O-N 3.46Å; W214-E218 HydrophobicContact CD2-CB 4.41Å; W214-E218 HydrophobicContact CE3-CB 4.33Å; W214-E218 HydrophobicContact CH2-CB 3.97Å; W214-E218 HydrophobicContact CH2-CG 3.65Å; W214-E218 HydrophobicContact CZ2-CB 4.05Å; W214-E218 HydrophobicContact CZ2-CG 3.77Å; W214-E218 HydrophobicContact CZ3-CB 4.09Å; W214-E218 HydrophobicContact CZ3-CG 4.23Å; W214-E218 WeakPolarHBondContact O-CB 3.36Å; W214-E218 PolarHBondContact O-N 2.93Å
215	L	87.9	Confident	87.2	Confident	15 Å²	15	72.3 Å²	72.3	8%	0.079	37%	0.371	C	S	.	.	H	α-helix	trans	-58.9	-43.1	177.3	-74.1	167.1	0	0	0	111.6	F172 Q175 Y176 V211 E212 R217 E218 A219	F172-L215 HydrophobicContact CD2-CD2 3.85Å; F172-L215 HydrophobicContact CE1-CD2 4.35Å; F172-L215 HydrophobicContact CE2-CB 4.18Å; F172-L215 HydrophobicContact CE2-CD2 3.52Å; F172-L215 HydrophobicContact CE2-CG 4.48Å; F172-L215 WeakPolarHBondContact CE2-O 3.17Å; F172-L215 HydrophobicContact CG-CD2 4.41Å; F172-L215 HydrophobicContact CZ-CD2 3.79Å; Q175-L215 HydrophobicContact CB-CD2 4.14Å; Y176-L215 HydrophobicContact CD2-CD1 4.11Å; Y176-L215 HydrophobicContact CD2-CD2 4.4Å; V211-L215 HydrophobicContact CG1-CD1 3.89Å; V211-L215 HydrophobicContact CG1-CG 4.25Å; V211-L215 WeakPolarHBondContact O-CB 3.22Å; V211-L215 VanDerWaalsContact O-CG 3.25Å; V211-L215 WeakPolarHBondContact O-CG 3.12Å; V211-L215 PolarHBondContact O-N 3.16Å; E212-L215 PolarHBondContact O-N 3.36Å; L215-R217 VanDerWaalsContact C-N 3.34Å; L215-R217 PolarHBondContact O-N 2.92Å; L215-E218 PolarHBondContact O-N 2.99Å; L215-A219 VanDerWaalsContact O-CB 3.25Å; L215-A219 WeakPolarHBondContact O-CB 3.42Å; L215-A219 PolarHBondContact O-N 2.9Å
216	T	86.1	Confident	87.3	Confident	90 Å²	90	69 Å²	69	55%	0.552	35%	0.353	S	S	*	.	H	α-helix	trans	-63.5	-41.9	178.2	-51.5	0	0	0	0	111.5	E212 W214 N220	E212-T216 WeakPolarHBondContact O-CB 3.26Å; E212-T216 PolarHBondContact O-N 3.2Å; E212-T216 PolarHBondContact O-OG1 3.15Å; W214-T216 VanDerWaalsContact C-N 3.33Å; W214-T216 PolarHBondContact O-N 2.87Å; T216-N220 PolarHBondContact O-N 2.64Å; T216-N220 PolarHBondContact O-ND2 3.34Å
217	R	88.8	Confident	87.4	Confident	185 Å²	185	68.1 Å²	68.1	70%	0.698	34%	0.342	S	S	*	.	H	α-helix	trans	-65.3	-47	175.8	179.8	178.7	175.3	168.3	-1.1	111.4	A213 W214 L215 N220 T221	A213-R217 PolarHBondContact O-N 2.67Å; A213-R217 VanDerWaalsContact O-N 3.13Å; W214-R217 PolarHBondContact O-N 3.46Å; L215-R217 VanDerWaalsContact C-N 3.34Å; L215-R217 PolarHBondContact O-N 2.92Å; R217-N220 PolarHBondContact O-N 2.88Å; R217-T221 PolarHBondContact O-N 3.33Å; R217-T221 PolarHBondContact O-OG1 3.26Å; R217-T221 VanDerWaalsContact O-OG1 3.05Å
218	E	89.3	Confident	87.5	Confident	29 Å²	29	64.7 Å²	64.7	14%	0.136	33%	0.33	C	S	.	.	H	α-helix	trans	-69.7	-33.4	-176.1	-163.5	63.2	-159	0	0	112.1	F172 W214 L215 N220 T221 L222	F172-E218 HydrophobicContact CD2-CB 3.9Å; F172-E218 HydrophobicContact CD2-CG 3.92Å; F172-E218 HydrophobicContact CE2-CB 4.27Å; W214-E218 HydrophobicContact CD2-CB 4.41Å; W214-E218 HydrophobicContact CE3-CB 4.33Å; W214-E218 HydrophobicContact CH2-CB 3.97Å; W214-E218 HydrophobicContact CH2-CG 3.65Å; W214-E218 HydrophobicContact CZ2-CB 4.05Å; W214-E218 HydrophobicContact CZ2-CG 3.77Å; W214-E218 HydrophobicContact CZ3-CB 4.09Å; W214-E218 HydrophobicContact CZ3-CG 4.23Å; W214-E218 WeakPolarHBondContact O-CB 3.36Å; W214-E218 PolarHBondContact O-N 2.93Å; L215-E218 PolarHBondContact O-N 2.99Å; E218-N220 VanDerWaalsContact C-N 3.34Å; E218-N220 PolarHBondContact O-N 2.87Å; E218-T221 WeakPolarHBondContact O-CB 3.38Å; E218-T221 PolarHBondContact O-N 3.48Å; E218-L222 WeakPolarHBondContact O-CB 3.33Å; E218-L222 WeakPolarHBondContact O-CG 3.47Å; E218-L222 PolarHBondContact O-N 2.63Å
219	A	86.1	Confident	87.6	Confident	23 Å²	23	61.6 Å²	61.6	19%	0.19	32%	0.319	C	S	.	.	H	α-helix	trans	-59.6	-43.9	172	0	0	0	0	0	111.8	F172 L215 L222 Q223	F172-A219 HydrophobicContact CE2-CB 4.09Å; F172-A219 HydrophobicContact CZ-CB 4.25Å; L215-A219 VanDerWaalsContact O-CB 3.25Å; L215-A219 WeakPolarHBondContact O-CB 3.42Å; L215-A219 PolarHBondContact O-N 2.9Å; A219-L222 PolarHBondContact O-N 3.47Å; A219-Q223 WeakPolarHBondContact O-CB 3.5Å; A219-Q223 PolarHBondContact O-N 3.05Å
220	N	86.4	Confident	87.7	Confident	102 Å²	102	59 Å²	59	55%	0.545	30%	0.297	S	S	.	.	H	α-helix	trans	-65.4	-40.1	174.9	-69.9	-35.4	0	0	0	111.9	T216 R217 E218 Q223 K224	T216-N220 PolarHBondContact O-N 2.64Å; T216-N220 PolarHBondContact O-ND2 3.34Å; R217-N220 PolarHBondContact O-N 2.88Å; E218-N220 VanDerWaalsContact C-N 3.34Å; E218-N220 PolarHBondContact O-N 2.87Å; N220-Q223 PolarHBondContact O-N 3.32Å; N220-K224 PolarHBondContact O-N 3.41Å
221	T	88.9	Confident	87.7	Confident	39 Å²	39	59.2 Å²	59.2	24%	0.239	29%	0.292	C	S	.	.	H	α-helix	trans	-62.5	-46.6	175.6	-53.9	0	0	0	0	111.5	R217 E218 Q223 K224 Y225	R217-T221 PolarHBondContact O-N 3.33Å; R217-T221 PolarHBondContact O-OG1 3.26Å; R217-T221 VanDerWaalsContact O-OG1 3.05Å; E218-T221 WeakPolarHBondContact O-CB 3.38Å; E218-T221 PolarHBondContact O-N 3.48Å; T221-Q223 VanDerWaalsContact C-N 3.34Å; T221-Q223 PolarHBondContact O-N 3.29Å; T221-K224 PolarHBondContact O-N 3.28Å; T221-Y225 HydrophobicContact CG2-CD2 3.89Å; T221-Y225 HydrophobicContact CG2-CE2 3.42Å; T221-Y225 VanDerWaalsContact CG2-CE2 3.42Å; T221-Y225 PolarHBondContact O-N 3.07Å
222	L	86.9	Confident	87.8	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.9	-41.5	177	-78.6	171.6	0	0	0	111.7	L165 N168 Q169 F172 E218 A219 K224 Y225 R226 I306	L165-L222 HydrophobicContact CD1-CD2 3.76Å; N168-L222 HydrophobicContact CB-CD2 3.83Å; Q169-L222 HydrophobicContact CB-CD2 4.31Å; F172-L222 HydrophobicContact CB-CD1 3.8Å; F172-L222 HydrophobicContact CD1-CD1 4.39Å; F172-L222 HydrophobicContact CD2-CD1 3.93Å; F172-L222 HydrophobicContact CG-CD1 3.78Å; E218-L222 WeakPolarHBondContact O-CB 3.33Å; E218-L222 WeakPolarHBondContact O-CG 3.47Å; E218-L222 PolarHBondContact O-N 2.63Å; A219-L222 PolarHBondContact O-N 3.47Å; L222-K224 VanDerWaalsContact C-N 3.35Å; L222-Y225 PolarHBondContact O-N 3.4Å; L222-R226 WeakPolarHBondContact O-CG 3.46Å; L222-R226 PolarHBondContact O-N 3.03Å; L222-I306 HydrophobicContact CB-CD1 4.42Å
223	Q	85.3	Confident	87.9	Confident	47 Å²	47	58 Å²	58	22%	0.22	28%	0.284	C	S	.	.	H	α-helix	trans	-63.5	-41.4	175.9	-175.2	167.5	-2.2	0	0	111.7	A219 N220 T221 R226 L227 I310	A219-Q223 WeakPolarHBondContact O-CB 3.5Å; A219-Q223 PolarHBondContact O-N 3.05Å; N220-Q223 PolarHBondContact O-N 3.32Å; T221-Q223 VanDerWaalsContact C-N 3.34Å; T221-Q223 PolarHBondContact O-N 3.29Å; Q223-R226 PolarHBondContact O-N 2.89Å; Q223-L227 WeakPolarHBondContact O-CG 3.39Å; Q223-L227 PolarHBondContact O-N 2.92Å; Q223-L227 VanDerWaalsContact O-N 3.11Å; Q223-I310 HydrophobicContact CG-CD1 4.12Å
224	K	87.7	Confident	87.9	Confident	131 Å²	131	58.1 Å²	58.1	57%	0.57	27%	0.273	S	S	*	.	H	α-helix	trans	-62.8	-47.2	174.2	-173.5	179.3	176.9	-179.5	0	111.8	N220 T221 L222 R226 L227 D228	N220-K224 PolarHBondContact O-N 3.41Å; T221-K224 PolarHBondContact O-N 3.28Å; L222-K224 VanDerWaalsContact C-N 3.35Å; K224-R226 VanDerWaalsContact C-N 3.28Å; K224-R226 PolarHBondContact O-N 2.93Å; K224-L227 PolarHBondContact O-N 3.37Å; K224-L227 VanDerWaalsContact O-N 3.12Å; K224-D228 PolarHBondContact O-N 3.03Å
225	Y	87.7	Confident	87.8	Confident	107 Å²	107	60.4 Å²	60.4	42%	0.42	29%	0.285	S	S	.	.	H	α-helix	trans	-61.7	-35.2	177	-71.9	-35	0	0	0	113	T221 L222 L229	T221-Y225 HydrophobicContact CG2-CD2 3.89Å; T221-Y225 HydrophobicContact CG2-CE2 3.42Å; T221-Y225 VanDerWaalsContact CG2-CE2 3.42Å; T221-Y225 PolarHBondContact O-N 3.07Å; L222-Y225 PolarHBondContact O-N 3.4Å; Y225-L229 WeakPolarHBondContact O-CB 3.38Å; Y225-L229 PolarHBondContact O-N 3.47Å
226	R	85.4	Confident	87.9	Confident	14 Å²	14	59.8 Å²	59.8	5%	0.053	28%	0.282	C	S	.	.	H	α-helix	trans	-63.7	-41.4	173.4	-75.9	174	177.2	-173.3	-1.8	112.1	L165 L222 Q223 K224 A230 L300 L304 I310	L165-R226 HydrophobicContact CD1-CG 4.02Å; L165-R226 HydrophobicContact CD2-CG 3.86Å; L222-R226 WeakPolarHBondContact O-CG 3.46Å; L222-R226 PolarHBondContact O-N 3.03Å; Q223-R226 PolarHBondContact O-N 2.89Å; K224-R226 VanDerWaalsContact C-N 3.28Å; K224-R226 PolarHBondContact O-N 2.93Å; R226-A230 WeakPolarHBondContact O-CB 3.26Å; R226-A230 PolarHBondContact O-N 3.16Å; R226-A230 VanDerWaalsContact O-N 3.08Å; R226-L300 PolarHBondContact NH2-O 3.19Å; R226-L304 PolarHBondContact NH1-O 2.88Å; R226-L304 PolarHBondContact NH2-O 3.01Å; R226-I310 HydrophobicContact CB-CD1 3.6Å; R226-I310 HydrophobicContact CB-CG1 4.36Å; R226-I310 HydrophobicContact CG-CD1 4.49Å
227	L	86.8	Confident	88	Confident	54 Å²	54	55.7 Å²	55.7	28%	0.283	26%	0.257	S	S	.	.	H	α-helix	trans	-67.2	-49.1	176.4	-72.1	168.7	0	0	0	111.5	Q223 K224 L229 A230 E231 P309 I310	Q223-L227 WeakPolarHBondContact O-CG 3.39Å; Q223-L227 PolarHBondContact O-N 2.92Å; Q223-L227 VanDerWaalsContact O-N 3.11Å; K224-L227 PolarHBondContact O-N 3.37Å; K224-L227 VanDerWaalsContact O-N 3.12Å; L227-L229 VanDerWaalsContact C-N 3.27Å; L227-L229 PolarHBondContact O-N 3.44Å; L227-A230 PolarHBondContact O-N 2.91Å; L227-A230 VanDerWaalsContact O-N 3.1Å; L227-E231 PolarHBondContact O-N 2.77Å; L227-P309 HydrophobicContact CD2-CG 4.41Å; L227-I310 HydrophobicContact CD2-CD1 4.4Å; L227-I310 HydrophobicContact CD2-CG1 3.68Å; L227-I310 HydrophobicContact CG-CD1 4.27Å; L227-I310 HydrophobicContact CG-CG1 4.06Å
228	D	88.6	Confident	88	Confident	64 Å²	64	52.6 Å²	52.6	34%	0.342	25%	0.25	S	S	.	.	H	α-helix	trans	-58.1	-41.6	178.5	-68.1	-17	0	0	0	110.9	K224 K232	K224-D228 PolarHBondContact O-N 3.03Å; D228-K232 WeakPolarHBondContact O-CG 3.4Å; D228-K232 PolarHBondContact O-N 2.49Å
229	L	88.6	Confident	88	Confident	8 Å²	8	54.2 Å²	54.2	4%	0.042	26%	0.26	C	S	.	.	H	α-helix	trans	-64.2	-43.6	176	-178.2	65.9	0	0	0	111.9	T158 D161 L162 L165 Y225 L227 K232 H233	T158-L229 HydrophobicContact CG2-CD1 4.46Å; D161-L229 HydrophobicContact CB-CD1 4.18Å; L162-L229 HydrophobicContact CB-CD2 4.28Å; L162-L229 HydrophobicContact CD1-CD2 3.84Å; L165-L229 HydrophobicContact CD2-CD2 3.94Å; Y225-L229 WeakPolarHBondContact O-CB 3.38Å; Y225-L229 PolarHBondContact O-N 3.47Å; L227-L229 VanDerWaalsContact C-N 3.27Å; L227-L229 PolarHBondContact O-N 3.44Å; L229-K232 PolarHBondContact O-N 3.22Å; L229-H233 PolarHBondContact O-CD2 3.07Å; L229-H233 PolarHBondContact O-N 3.13Å
230	A	87.1	Confident	88.1	Confident	2 Å²	2	53.1 Å²	53.1	2%	0.017	25%	0.251	C	S	.	.	H	α-helix	trans	-66.8	-40.2	179.4	0	0	0	0	0	112.2	R226 L227 H233 Q234 L313 L317	R226-A230 WeakPolarHBondContact O-CB 3.26Å; R226-A230 PolarHBondContact O-N 3.16Å; R226-A230 VanDerWaalsContact O-N 3.08Å; L227-A230 PolarHBondContact O-N 2.91Å; L227-A230 VanDerWaalsContact O-N 3.1Å; A230-H233 PolarHBondContact O-N 2.69Å; A230-Q234 PolarHBondContact O-N 2.9Å; A230-L313 HydrophobicContact CB-CD2 3.39Å; A230-L313 HydrophobicContact CB-CG 4.14Å; A230-L317 HydrophobicContact CB-CD1 4.16Å
231	E	88.7	Confident	88.2	Confident	98 Å²	98	54.4 Å²	54.4	46%	0.458	25%	0.248	S	C	.	.	H	α-helix	trans	-63.6	-40.2	172.9	-74.1	-172.7	-172.3	0	0	112.3	L227 Q234 K235	L227-E231 PolarHBondContact O-N 2.77Å; E231-Q234 WeakPolarHBondContact O-CB 3.15Å; E231-Q234 PolarHBondContact O-N 2.71Å; E231-K235 WeakPolarHBondContact O-CG 3.19Å; E231-K235 PolarHBondContact O-N 2.91Å
232	K	89.3	Confident	88.1	Confident	67 Å²	67	59.2 Å²	59.2	29%	0.291	27%	0.266	S	S	.	.	H	α-helix	trans	-60.8	-46.3	173.4	-77	-176.9	178.4	-166.5	0	111	D157 T158 D161 D228 L229 Q234 K235 T236	D157-K232 IonicContact OD2-NZ 3.85Å; D157-K232 PolarHBondContact OD2-NZ 3.37Å; T158-K232 HydrophobicContact CG2-CB 3.83Å; T158-K232 HydrophobicContact CG2-CD 4.49Å; D161-K232 IonicContact OD2-NZ 3.87Å; D161-K232 PolarHBondContact OD2-NZ 3.25Å; D228-K232 WeakPolarHBondContact O-CG 3.4Å; D228-K232 PolarHBondContact O-N 2.49Å; L229-K232 PolarHBondContact O-N 3.22Å; K232-Q234 VanDerWaalsContact C-N 3.31Å; K232-Q234 PolarHBondContact O-N 3.09Å; K232-K235 PolarHBondContact O-N 2.74Å; K232-T236 PolarHBondContact O-N 2.85Å; K232-T236 PolarHBondContact O-OG1 3Å; K232-T236 VanDerWaalsContact O-OG1 3.08Å
233	H	88.8	Confident	88	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-59.3	-40.8	174.4	-77.8	-58.1	0	0	0	112.3	L229 A230 K235 T236 L237 Q293 L317	L229-H233 PolarHBondContact O-CD2 3.07Å; L229-H233 PolarHBondContact O-N 3.13Å; A230-H233 PolarHBondContact O-N 2.69Å; H233-K235 PolarHBondContact O-N 3.41Å; H233-T236 PolarHBondContact O-N 3.45Å; H233-L237 WeakPolarHBondContact O-CB 3.19Å; H233-L237 VanDerWaalsContact O-CG 3.3Å; H233-L237 WeakPolarHBondContact O-CG 3.32Å; H233-L237 PolarHBondContact O-N 3.38Å; H233-Q293 PolarHBondContact CE1-OE1 2.77Å; H233-Q293 VanDerWaalsContact CE1-OE1 3.29Å; H233-L317 HydrophobicContact CB-CD1 4.14Å; H233-L317 HydrophobicContact CB-CD2 4.45Å
234	Q	89.8	Confident	88	Confident	66 Å²	66	58.1 Å²	58.1	31%	0.308	26%	0.26	S	S	.	.	H	α-helix	trans	-60.1	-45.3	177	-163.4	178.8	18.1	0	0	111.8	A230 E231 K232 L237 Q238 L317	A230-Q234 PolarHBondContact O-N 2.9Å; E231-Q234 WeakPolarHBondContact O-CB 3.15Å; E231-Q234 PolarHBondContact O-N 2.71Å; K232-Q234 VanDerWaalsContact C-N 3.31Å; K232-Q234 PolarHBondContact O-N 3.09Å; Q234-L237 PolarHBondContact O-N 3.01Å; Q234-Q238 WeakPolarHBondContact O-CG 3.44Å; Q234-Q238 PolarHBondContact O-N 2.7Å; Q234-L317 HydrophobicContact CB-CD2 3.89Å; Q234-L317 HydrophobicContact CG-CD2 4.23Å
235	K	89.5	Confident	87.9	Confident	126 Å²	126	55 Å²	55	55%	0.548	25%	0.253	S	S	.	.	H	α-helix	trans	-62.4	-45.2	175.9	-70.5	172.3	-176.2	167.6	0	111.7	E231 K232 H233 L237 Q238 L239	E231-K235 WeakPolarHBondContact O-CG 3.19Å; E231-K235 PolarHBondContact O-N 2.91Å; K232-K235 PolarHBondContact O-N 2.74Å; H233-K235 PolarHBondContact O-N 3.41Å; K235-L237 VanDerWaalsContact C-N 3.35Å; K235-L237 PolarHBondContact O-N 2.89Å; K235-Q238 PolarHBondContact O-N 3.32Å; K235-L239 PolarHBondContact O-N 3.44Å; K235-L239 VanDerWaalsContact O-N 3.1Å
236	T	89.7	Confident	87.7	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.012	25%	0.245	C	C	.	.	H	α-helix	trans	-60.3	-44.3	176.7	-57	0	0	0	0	111.1	L151 K232 H233 Q238 L239 L240	L151-T236 HydrophobicContact CD2-CG2 4.21Å; K232-T236 PolarHBondContact O-N 2.85Å; K232-T236 PolarHBondContact O-OG1 3Å; K232-T236 VanDerWaalsContact O-OG1 3.08Å; H233-T236 PolarHBondContact O-N 3.45Å; T236-Q238 PolarHBondContact O-N 2.88Å; T236-L239 PolarHBondContact O-N 3.46Å; T236-L240 VanDerWaalsContact O-CB 3.22Å; T236-L240 WeakPolarHBondContact O-CB 3.36Å; T236-L240 PolarHBondContact O-N 2.64Å
237	L	89	Confident	87.6	Confident	4 Å²	4	51.8 Å²	51.8	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-65.5	-35.8	178.1	-69.9	-177.6	0	0	0	113.1	H233 Q234 K235 L240 R241 I294 L317 T320 I321 I324	H233-L237 WeakPolarHBondContact O-CB 3.19Å; H233-L237 VanDerWaalsContact O-CG 3.3Å; H233-L237 WeakPolarHBondContact O-CG 3.32Å; H233-L237 PolarHBondContact O-N 3.38Å; Q234-L237 PolarHBondContact O-N 3.01Å; K235-L237 VanDerWaalsContact C-N 3.35Å; K235-L237 PolarHBondContact O-N 2.89Å; L237-L240 HydrophobicContact CD2-CD2 4.08Å; L237-L240 PolarHBondContact O-N 3.45Å; L237-R241 WeakPolarHBondContact O-CB 3.41Å; L237-R241 PolarHBondContact O-N 2.85Å; L237-I294 HydrophobicContact CD1-CD1 4.34Å; L237-L317 HydrophobicContact CD1-CB 4.34Å; L237-L317 HydrophobicContact CD1-CD2 3.69Å; L237-T320 HydrophobicContact CD1-CG2 4.46Å; L237-I321 HydrophobicContact CD1-CB 4.34Å; L237-I321 HydrophobicContact CD2-CB 4.14Å; L237-I321 HydrophobicContact CD2-CD1 3.91Å; L237-I321 HydrophobicContact CD2-CG1 3.9Å; L237-I324 HydrophobicContact CD2-CD1 4.35Å
238	Q	89.3	Confident	87.3	Confident	120 Å²	120	49.8 Å²	49.8	56%	0.561	23%	0.233	S	C	*	.	H	α-helix	trans	-64.4	-46.4	175.2	-74.4	173.9	-0	0	0	111.9	Q234 K235 T236 L240 R241 K242	Q234-Q238 WeakPolarHBondContact O-CG 3.44Å; Q234-Q238 PolarHBondContact O-N 2.7Å; K235-Q238 PolarHBondContact O-N 3.32Å; T236-Q238 PolarHBondContact O-N 2.88Å; Q238-L240 VanDerWaalsContact C-N 3.31Å; Q238-L240 PolarHBondContact O-N 2.76Å; Q238-R241 PolarHBondContact O-N 3.46Å; Q238-K242 PolarHBondContact O-N 2.84Å
239	L	88.1	Confident	86.9	Confident	64 Å²	64	50.9 Å²	50.9	34%	0.335	24%	0.238	S	C	.	.	H	α-helix	trans	-62.3	-41.3	174.8	-73	170	0	0	0	111.3	L151 L154 K235 T236 R241 K242 Q243	L151-L239 HydrophobicContact CD2-CB 3.72Å; L154-L239 HydrophobicContact CD1-CD1 3.59Å; K235-L239 PolarHBondContact O-N 3.44Å; K235-L239 VanDerWaalsContact O-N 3.1Å; T236-L239 PolarHBondContact O-N 3.46Å; L239-R241 VanDerWaalsContact C-N 3.34Å; L239-R241 PolarHBondContact O-N 2.93Å; L239-K242 PolarHBondContact O-N 3.47Å; L239-Q243 WeakPolarHBondContact O-CB 3.39Å; L239-Q243 PolarHBondContact O-N 3.35Å
240	L	88.1	Confident	86.6	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.2	-40.2	178.1	-167.1	60.4	0	0	0	112.1	L151 T236 L237 Q238 Q243 Q244 L283 T286 I287	L151-L240 HydrophobicContact CD1-CD1 3.95Å; L151-L240 HydrophobicContact CD2-CB 4.3Å; L151-L240 HydrophobicContact CD2-CD1 4.47Å; T236-L240 VanDerWaalsContact O-CB 3.22Å; T236-L240 WeakPolarHBondContact O-CB 3.36Å; T236-L240 PolarHBondContact O-N 2.64Å; L237-L240 HydrophobicContact CD2-CD2 4.08Å; L237-L240 PolarHBondContact O-N 3.45Å; Q238-L240 VanDerWaalsContact C-N 3.31Å; Q238-L240 PolarHBondContact O-N 2.76Å; L240-Q243 PolarHBondContact O-N 2.97Å; L240-Q244 VanDerWaalsContact O-CB 3.26Å; L240-Q244 WeakPolarHBondContact O-CB 3.35Å; L240-Q244 PolarHBondContact O-N 3.43Å; L240-L283 HydrophobicContact CD1-CD2 3.8Å; L240-T286 HydrophobicContact CD1-CG2 4.44Å; L240-I287 HydrophobicContact CD1-CD1 4.48Å; L240-I287 HydrophobicContact CD1-CG1 3.83Å; L240-I287 HydrophobicContact CD2-CB 4.16Å; L240-I287 HydrophobicContact CD2-CD1 4.46Å; L240-I287 HydrophobicContact CD2-CG1 3.32Å; L240-I287 HydrophobicContact CG-CD1 4.4Å; L240-I287 HydrophobicContact CG-CG1 3.68Å
241	R	88.3	Confident	86.3	Confident	128 Å²	128	54.9 Å²	54.9	48%	0.483	26%	0.259	S	S	.	.	H	α-helix	trans	-65.8	-42.7	175	-168.9	170.2	-173.9	137.7	1.4	111.7	L237 Q238 L239 Q243 Q244 T245 I324	L237-R241 WeakPolarHBondContact O-CB 3.41Å; L237-R241 PolarHBondContact O-N 2.85Å; Q238-R241 PolarHBondContact O-N 3.46Å; L239-R241 VanDerWaalsContact C-N 3.34Å; L239-R241 PolarHBondContact O-N 2.93Å; R241-Q243 VanDerWaalsContact C-N 3.33Å; R241-Q243 PolarHBondContact O-N 3.22Å; R241-Q244 WeakPolarHBondContact O-CB 3.18Å; R241-Q244 PolarHBondContact O-N 3.21Å; R241-T245 PolarHBondContact O-N 3.08Å; R241-T245 PolarHBondContact O-OG1 3.09Å; R241-I324 HydrophobicContact CB-CD1 4.18Å
242	K	88	Confident	86	Confident	141 Å²	141	50.7 Å²	50.7	61%	0.613	24%	0.24	S	C	*	.	H	α-helix	trans	-59.9	-45.5	174.9	-174.6	-176.8	178.5	-173.3	0	111.2	Q238 L239 T245 I246	Q238-K242 PolarHBondContact O-N 2.84Å; L239-K242 PolarHBondContact O-N 3.47Å; K242-T245 PolarHBondContact O-N 2.69Å; K242-I246 WeakPolarHBondContact O-CG1 3.29Å; K242-I246 PolarHBondContact O-N 3.13Å; K242-I246 VanDerWaalsContact O-N 3.16Å
243	Q	84.1	Confident	85.7	Confident	12 Å²	12	50.7 Å²	50.7	6%	0.056	24%	0.243	C	C	.	.	H	α-helix	trans	-66.3	-40	179	-166.7	63.1	8.6	0	0	111.9	I144 F148 L151 L239 L240 R241 I246 I247 L283	I144-Q243 PolarHBondContact O-NE2 3.31Å; F148-Q243 HydrophobicContact CE2-CG 4.49Å; F148-Q243 HydrophobicContact CZ-CG 4.35Å; L151-Q243 HydrophobicContact CD1-CB 4.08Å; L151-Q243 HydrophobicContact CD1-CG 4.16Å; L239-Q243 WeakPolarHBondContact O-CB 3.39Å; L239-Q243 PolarHBondContact O-N 3.35Å; L240-Q243 PolarHBondContact O-N 2.97Å; R241-Q243 VanDerWaalsContact C-N 3.33Å; R241-Q243 PolarHBondContact O-N 3.22Å; Q243-I246 PolarHBondContact O-N 3.18Å; Q243-I247 HydrophobicContact CG-CD1 4.01Å; Q243-I247 WeakPolarHBondContact O-CG1 3.16Å; Q243-I247 PolarHBondContact O-N 3.39Å; Q243-I247 VanDerWaalsContact O-N 3.09Å; Q243-L283 HydrophobicContact CB-CD2 4.48Å; Q243-L283 HydrophobicContact CG-CD2 4.13Å
244	Q	84.9	Confident	85.4	Confident	11 Å²	11	54.1 Å²	54.1	5%	0.051	26%	0.259	C	S	.	.	H	α-helix	trans	-59.9	-45.2	173.3	177.6	-179.6	42.7	0	0	111.6	L240 R241 I246 I247 L248 I324	L240-Q244 VanDerWaalsContact O-CB 3.26Å; L240-Q244 WeakPolarHBondContact O-CB 3.35Å; L240-Q244 PolarHBondContact O-N 3.43Å; R241-Q244 WeakPolarHBondContact O-CB 3.18Å; R241-Q244 PolarHBondContact O-N 3.21Å; Q244-I246 PolarHBondContact O-N 3.32Å; Q244-I247 PolarHBondContact O-N 3.1Å; Q244-L248 HydrophobicContact CG-CD1 3.47Å; Q244-L248 VanDerWaalsContact CG-CD1 3.47Å; Q244-L248 HydrophobicContact CG-CG 3.99Å; Q244-L248 VanDerWaalsContact O-CB 3.32Å; Q244-L248 WeakPolarHBondContact O-CB 3.26Å; Q244-L248 WeakPolarHBondContact O-CG 3.3Å; Q244-L248 PolarHBondContact O-N 3.18Å; Q244-I324 PolarHBondContact NE2-O 3.43Å
245	T	86	Confident	85.2	Confident	67 Å²	67	51.1 Å²	51.1	41%	0.411	25%	0.245	S	C	.	.	H	α-helix	trans	-58.8	-45.9	176.9	-66.7	0	0	0	0	111.4	R241 K242 I247 D249	R241-T245 PolarHBondContact O-N 3.08Å; R241-T245 PolarHBondContact O-OG1 3.09Å; K242-T245 PolarHBondContact O-N 2.69Å; T245-I247 VanDerWaalsContact C-N 3.33Å; T245-I247 PolarHBondContact O-N 3.26Å; T245-D249 HydrophobicContact CG2-CB 4.43Å; T245-D249 WeakPolarHBondContact CG2-OD2 3.37Å; T245-D249 WeakPolarHBondContact O-CA 3.39Å; T245-D249 VanDerWaalsContact O-CB 3.22Å; T245-D249 WeakPolarHBondContact O-CB 3.16Å; T245-D249 PolarHBondContact O-N 3.35Å
246	I	84.4	Confident	84.9	Confident	50 Å²	50	48.9 Å²	48.9	26%	0.256	24%	0.235	S	C	.	.	I	π-helix	trans	-60.7	-44.6	177.9	-64.8	165.5	0	0	0	110.9	I144 K242 Q243 Q244 D250 E251	I144-I246 HydrophobicContact CD1-CG2 4.23Å; I144-I246 HydrophobicContact CG1-CG2 4.42Å; K242-I246 WeakPolarHBondContact O-CG1 3.29Å; K242-I246 PolarHBondContact O-N 3.13Å; K242-I246 VanDerWaalsContact O-N 3.16Å; Q243-I246 PolarHBondContact O-N 3.18Å; Q244-I246 PolarHBondContact O-N 3.32Å; I246-D250 VanDerWaalsContact O-CB 3.27Å; I246-D250 WeakPolarHBondContact O-CB 3.49Å; I246-D250 PolarHBondContact O-N 3.45Å; I246-D250 VanDerWaalsContact O-N 3.14Å; I246-E251 PolarHBondContact O-N 3.17Å
247	I	82.1	Confident	84.6	Confident	3 Å²	3	52.5 Å²	52.5	2%	0.015	25%	0.248	C	C	.	.	I	π-helix	trans	-73.2	-40.7	-176.2	-70.5	161.1	0	0	0	112.1	F148 Q243 Q244 T245 L252 W279 L283	F148-I247 HydrophobicContact CE2-CD1 3.69Å; F148-I247 HydrophobicContact CZ-CD1 3.41Å; F148-I247 VanDerWaalsContact CZ-CD1 3.41Å; Q243-I247 HydrophobicContact CG-CD1 4.01Å; Q243-I247 WeakPolarHBondContact O-CG1 3.16Å; Q243-I247 PolarHBondContact O-N 3.39Å; Q243-I247 VanDerWaalsContact O-N 3.09Å; Q244-I247 PolarHBondContact O-N 3.1Å; T245-I247 VanDerWaalsContact C-N 3.33Å; T245-I247 PolarHBondContact O-N 3.26Å; I247-L252 WeakPolarHBondContact O-CB 3.41Å; I247-L252 PolarHBondContact O-N 2.84Å; I247-W279 HydrophobicContact CD1-CB 3.97Å; I247-W279 HydrophobicContact CD1-CG 4.26Å; I247-W279 HydrophobicContact CG1-CB 4.32Å; I247-W279 HydrophobicContact CG1-CG 4.45Å; I247-W279 HydrophobicContact CG2-CB 4.09Å; I247-L283 HydrophobicContact CB-CD1 4.22Å; I247-L283 HydrophobicContact CD1-CD1 3.43Å; I247-L283 VanDerWaalsContact CD1-CD1 3.43Å; I247-L283 HydrophobicContact CD1-CD2 4.43Å; I247-L283 HydrophobicContact CD1-CG 3.99Å; I247-L283 HydrophobicContact CG1-CD1 4.42Å; I247-L283 HydrophobicContact CG2-CD1 4.2Å
248	L	81.7	Confident	84.3	Confident	11 Å²	11	55.5 Å²	55.5	6%	0.058	26%	0.259	C	S	.	.	I	π-helix	trans	-82.8	-40.5	-177.2	-65.3	-175.6	0	0	0	113	Q244 L252 L328 T332	Q244-L248 HydrophobicContact CG-CD1 3.47Å; Q244-L248 VanDerWaalsContact CG-CD1 3.47Å; Q244-L248 HydrophobicContact CG-CG 3.99Å; Q244-L248 VanDerWaalsContact O-CB 3.32Å; Q244-L248 WeakPolarHBondContact O-CB 3.26Å; Q244-L248 WeakPolarHBondContact O-CG 3.3Å; Q244-L248 PolarHBondContact O-N 3.18Å; L248-L252 HydrophobicContact CD2-CD2 4.05Å; L248-L252 WeakPolarHBondContact O-CB 3.38Å; L248-L328 HydrophobicContact CD1-CD1 4.48Å; L248-L328 HydrophobicContact CD2-CD1 4.28Å; L248-T332 HydrophobicContact CD2-CG2 4.3Å
249	D	80.7	Confident	84.1	Confident	87 Å²	87	50.1 Å²	50.1	47%	0.465	23%	0.234	S	C	.	.	I	π-helix	trans	-94.2	-28.8	-172.6	-60.4	-23.3	0	0	0	112.6	T245 I253	T245-D249 HydrophobicContact CG2-CB 4.43Å; T245-D249 WeakPolarHBondContact CG2-OD2 3.37Å; T245-D249 WeakPolarHBondContact O-CA 3.39Å; T245-D249 VanDerWaalsContact O-CB 3.22Å; T245-D249 WeakPolarHBondContact O-CB 3.16Å; T245-D249 PolarHBondContact O-N 3.35Å; D249-I253 HydrophobicContact CB-CD1 4.48Å; D249-I253 VanDerWaalsContact O-CB 3.26Å; D249-I253 WeakPolarHBondContact O-CB 3.48Å; D249-I253 WeakPolarHBondContact O-CD1 3.48Å; D249-I253 WeakPolarHBondContact O-CG1 3.33Å
250	D	80.9	Confident	83.9	Confident	89 Å²	89	48 Å²	48	48%	0.476	22%	0.223	S	C	.	.	I	π-helix	trans	-95.1	-64.4	174.5	-62.5	-29.1	0	0	0	110.8	I246 Q254	I246-D250 VanDerWaalsContact O-CB 3.27Å; I246-D250 WeakPolarHBondContact O-CB 3.49Å; I246-D250 PolarHBondContact O-N 3.45Å; I246-D250 VanDerWaalsContact O-N 3.14Å; D250-Q254 WeakPolarHBondContact O-CB 3.4Å; D250-Q254 PolarHBondContact O-N 3.12Å
251	E	80.1	Confident	83.6	Confident	5 Å²	5	50.1 Å²	50.1	2%	0.023	23%	0.234	C	C	.	.	I	π-helix	trans	-71	-46	-167.6	-69.3	-65.7	145.7	0	0	112.9	I144 I246 Q254 W255 L275 W279	I144-E251 HydrophobicContact CD1-CG 4.46Å; I246-E251 PolarHBondContact O-N 3.17Å; E251-Q254 PolarHBondContact O-N 2.9Å; E251-W255 WeakPolarHBondContact O-CB 3.36Å; E251-W255 PolarHBondContact O-N 2.99Å; E251-L275 HydrophobicContact CB-CD2 4.42Å; E251-W279 HydrophobicContact CB-CE3 4.28Å; E251-W279 HydrophobicContact CB-CH2 4.45Å; E251-W279 HydrophobicContact CB-CZ3 3.65Å; E251-W279 HydrophobicContact CG-CE3 4.28Å; E251-W279 HydrophobicContact CG-CH2 3.73Å; E251-W279 HydrophobicContact CG-CZ3 3.4Å; E251-W279 VanDerWaalsContact CG-CZ3 3.4Å; E251-W279 WeakPolarHBondContact OE2-CZ3 3.41Å
252	L	83	Confident	83.2	Confident	10 Å²	10	45.2 Å²	45.2	5%	0.052	22%	0.22	C	C	.	.	H	α-helix	trans	-68.4	-37.6	178.7	-179.5	67.7	0	0	0	111.7	I247 L248 W255 K256 S331 I334	I247-L252 WeakPolarHBondContact O-CB 3.41Å; I247-L252 PolarHBondContact O-N 2.84Å; L248-L252 HydrophobicContact CD2-CD2 4.05Å; L248-L252 WeakPolarHBondContact O-CB 3.38Å; L252-W255 HydrophobicContact CD1-CE3 4.37Å; L252-W255 PolarHBondContact O-N 2.89Å; L252-K256 HydrophobicContact CG-CD 4.46Å; L252-K256 WeakPolarHBondContact O-CB 3.48Å; L252-K256 WeakPolarHBondContact O-CG 3.48Å; L252-K256 PolarHBondContact O-N 3.12Å; L252-S331 WeakPolarHBondContact CD2-O 3.34Å; L252-I334 HydrophobicContact CD1-CG2 4.22Å
253	I	83.6	Confident	82.7	Confident	67 Å²	67	40.4 Å²	40.4	34%	0.344	21%	0.211	S	C	.	.	H	α-helix	trans	-66.9	-42.4	174.9	-61.7	-167.6	0	0	0	110.3	D249 W255 K256 R257 A492	D249-I253 HydrophobicContact CB-CD1 4.48Å; D249-I253 VanDerWaalsContact O-CB 3.26Å; D249-I253 WeakPolarHBondContact O-CB 3.48Å; D249-I253 WeakPolarHBondContact O-CD1 3.48Å; D249-I253 WeakPolarHBondContact O-CG1 3.33Å; I253-W255 VanDerWaalsContact C-N 3.32Å; I253-W255 PolarHBondContact O-N 2.8Å; I253-K256 PolarHBondContact O-N 3.4Å; I253-R257 WeakPolarHBondContact O-CB 3.46Å; I253-R257 PolarHBondContact O-N 2.72Å; I253-A492 HydrophobicContact CG2-CB 3.96Å
254	Q	82.3	Confident	82.5	Confident	73 Å²	73	40.1 Å²	40.1	34%	0.341	21%	0.21	S	C	.	.	H	α-helix	trans	-63.1	-40.7	176.5	-167.1	-176.5	-3.1	0	0	111.2	D250 E251 R257 R258	D250-Q254 WeakPolarHBondContact O-CB 3.4Å; D250-Q254 PolarHBondContact O-N 3.12Å; E251-Q254 PolarHBondContact O-N 2.9Å; Q254-R257 PolarHBondContact O-N 3.34Å; Q254-R258 WeakPolarHBondContact O-CG 3.44Å; Q254-R258 PolarHBondContact O-N 3.2Å
255	W	85.1	Confident	81.8	Confident	4 Å²	4	40.9 Å²	40.9	2%	0.015	22%	0.221	C	C	.	.	H	α-helix	trans	-63.3	-47.2	173.7	-179.8	88	0	0	0	111.8	E251 L252 I253 R257 R258 Q259 G270 L272 L275 I334	E251-W255 WeakPolarHBondContact O-CB 3.36Å; E251-W255 PolarHBondContact O-N 2.99Å; L252-W255 HydrophobicContact CD1-CE3 4.37Å; L252-W255 PolarHBondContact O-N 2.89Å; I253-W255 VanDerWaalsContact C-N 3.32Å; I253-W255 PolarHBondContact O-N 2.8Å; W255-R257 PolarHBondContact O-N 3.16Å; W255-R258 WeakPolarHBondContact O-CB 3.2Å; W255-R258 PolarHBondContact O-N 2.69Å; W255-R258 VanDerWaalsContact O-N 3.08Å; W255-Q259 HydrophobicContact CH2-CB 4.45Å; W255-Q259 PolarHBondContact O-N 2.84Å; W255-G270 PolarHBondContact NE1-O 3.15Å; W255-L272 HydrophobicContact CD2-CD2 3.96Å; W255-L272 VanDerWaalsContact CE2-CD2 3.46Å; W255-L272 HydrophobicContact CE3-CD2 4.31Å; W255-L272 HydrophobicContact CH2-CD1 3.9Å; W255-L272 HydrophobicContact CH2-CD2 3.83Å; W255-L272 HydrophobicContact CH2-CG 4.12Å; W255-L272 HydrophobicContact CZ2-CD1 3.41Å; W255-L272 VanDerWaalsContact CZ2-CD1 3.41Å; W255-L272 HydrophobicContact CZ2-CD2 3.44Å; W255-L272 VanDerWaalsContact CZ2-CD2 3.44Å; W255-L272 HydrophobicContact CZ2-CG 3.37Å; W255-L272 HydrophobicContact CZ3-CD2 4.25Å; W255-L275 HydrophobicContact CB-CD1 3.71Å; W255-L275 HydrophobicContact CD2-CD1 4.3Å; W255-L275 HydrophobicContact CG-CD1 3.58Å; W255-I334 HydrophobicContact CE3-CD1 4.41Å; W255-I334 HydrophobicContact CH2-CD1 4.05Å; W255-I334 HydrophobicContact CZ3-CD1 3.78Å
256	K	83.3	Confident	81.1	Confident	78 Å²	78	38.4 Å²	38.4	34%	0.339	21%	0.209	S	C	.	.	H	α-helix	trans	-58.3	-36.7	174.5	-75.9	176.8	179.4	175.1	0	111.9	L252 I253 Q259 Q260	L252-K256 HydrophobicContact CG-CD 4.46Å; L252-K256 WeakPolarHBondContact O-CB 3.48Å; L252-K256 WeakPolarHBondContact O-CG 3.48Å; L252-K256 PolarHBondContact O-N 3.12Å; I253-K256 PolarHBondContact O-N 3.4Å; K256-Q259 PolarHBondContact O-N 3.35Å; K256-Q260 WeakPolarHBondContact O-CB 3.32Å; K256-Q260 PolarHBondContact O-N 3.31Å
257	R	83.3	Confident	80.5	Confident	78 Å²	78	40.4 Å²	40.4	29%	0.294	23%	0.225	S	C	.	.	H	α-helix	trans	-68.3	-42.2	174.9	-179.3	57.7	176.6	-169.3	-3.2	111.9	I253 Q254 W255 Q259 Q260 L261 N487 A488 A490	I253-R257 WeakPolarHBondContact O-CB 3.46Å; I253-R257 PolarHBondContact O-N 2.72Å; Q254-R257 PolarHBondContact O-N 3.34Å; W255-R257 PolarHBondContact O-N 3.16Å; R257-Q259 VanDerWaalsContact C-N 3.31Å; R257-Q259 PolarHBondContact O-N 3.27Å; R257-Q260 WeakPolarHBondContact O-CB 3.39Å; R257-Q260 PolarHBondContact O-N 3.36Å; R257-L261 HydrophobicContact CG-CD1 4.38Å; R257-L261 WeakPolarHBondContact O-CG 3.14Å; R257-L261 PolarHBondContact O-N 3.29Å; R257-N487 PolarHBondContact NH1-O 3.34Å; R257-A488 PolarHBondContact NH2-O 3.43Å; R257-A490 PolarHBondContact NH1-O 3.23Å
258	R	82.8	Confident	79.9	Confident	67 Å²	67	45.7 Å²	45.7	25%	0.253	26%	0.259	S	S	.	.	H	α-helix	trans	-60.9	-41.6	173.1	-69.5	179.8	-146.3	150.3	7	110.9	Q254 W255 L261 A262	Q254-R258 WeakPolarHBondContact O-CG 3.44Å; Q254-R258 PolarHBondContact O-N 3.2Å; W255-R258 WeakPolarHBondContact O-CB 3.2Å; W255-R258 PolarHBondContact O-N 2.69Å; W255-R258 VanDerWaalsContact O-N 3.08Å; R258-L261 PolarHBondContact O-N 3.24Å; R258-A262 VanDerWaalsContact O-CB 3.32Å; R258-A262 WeakPolarHBondContact O-CB 3.47Å; R258-A262 PolarHBondContact O-N 3.48Å
259	Q	85.1	Confident	79.1	Confident	7 Å²	7	48.4 Å²	48.4	3%	0.033	27%	0.272	C	S	.	.	H	α-helix	trans	-60.4	-44.7	173	168.4	170.8	91.7	0	0	112.6	W255 K256 R257 L261 A262 G263 E269 I335 E336 Q338	W255-Q259 HydrophobicContact CH2-CB 4.45Å; W255-Q259 PolarHBondContact O-N 2.84Å; K256-Q259 PolarHBondContact O-N 3.35Å; R257-Q259 VanDerWaalsContact C-N 3.31Å; R257-Q259 PolarHBondContact O-N 3.27Å; Q259-L261 VanDerWaalsContact C-N 3.32Å; Q259-L261 PolarHBondContact O-N 3.48Å; Q259-A262 PolarHBondContact O-N 3.2Å; Q259-G263 PolarHBondContact O-N 3.39Å; Q259-E269 VanDerWaalsContact CA-CD 3.44Å; Q259-E269 VanDerWaalsContact CA-CG 3.46Å; Q259-E269 WeakPolarHBondContact CA-OE1 3.33Å; Q259-E269 HydrophobicContact CB-CG 3.77Å; Q259-E269 WeakPolarHBondContact CB-OE1 3.38Å; Q259-E269 WeakPolarHBondContact CB-OE2 3.39Å; Q259-E269 VanDerWaalsContact CG-CD 3.46Å; Q259-E269 HydrophobicContact CG-CG 4.42Å; Q259-E269 VanDerWaalsContact CG-OE1 3.26Å; Q259-E269 WeakPolarHBondContact CG-OE1 3.4Å; Q259-E269 WeakPolarHBondContact CG-OE2 3.09Å; Q259-E269 PolarHBondContact NE2-OE2 3.29Å; Q259-I335 PolarHBondContact NE2-O 2.94Å; Q259-I335 VanDerWaalsContact NE2-O 3.08Å; Q259-I335 PolarHBondContact OE1-O 3.49Å; Q259-E336 PolarHBondContact NE2-O 3Å; Q259-Q338 HydrophobicContact CG-CG 4.11Å
260	Q	83.3	Confident	78.2	Confident	20 Å²	20	46.1 Å²	46.1	9%	0.093	27%	0.269	C	S	.	.	H	α-helix	trans	-60.1	-43	175.7	-173.7	180	31.6	0	0	112.2	K256 R257 G263 L465 N487	K256-Q260 WeakPolarHBondContact O-CB 3.32Å; K256-Q260 PolarHBondContact O-N 3.31Å; R257-Q260 WeakPolarHBondContact O-CB 3.39Å; R257-Q260 PolarHBondContact O-N 3.36Å; Q260-G263 PolarHBondContact O-N 2.95Å; Q260-L465 HydrophobicContact CB-CD1 4.33Å; Q260-L465 HydrophobicContact CB-CD2 4.21Å; Q260-L465 HydrophobicContact CG-CD1 4.32Å; Q260-L465 HydrophobicContact CG-CD2 4.02Å; Q260-N487 HydrophobicContact CG-CB 3.98Å
261	L	82.3	Confident	77.5	Confident	44 Å²	44	44 Å²	44	23%	0.23	27%	0.269	C	S	.	.	H	α-helix	trans	-71.5	-33.7	177	-66.1	175.6	0	0	0	112.2	R257 R258 Q259 G263 N264 G265 G266 M514	R257-L261 HydrophobicContact CG-CD1 4.38Å; R257-L261 WeakPolarHBondContact O-CG 3.14Å; R257-L261 PolarHBondContact O-N 3.29Å; R258-L261 PolarHBondContact O-N 3.24Å; Q259-L261 VanDerWaalsContact C-N 3.32Å; Q259-L261 PolarHBondContact O-N 3.48Å; L261-G263 PolarHBondContact O-N 2.95Å; L261-N264 CarbonylContact O-C 3.48Å; L261-N264 WeakPolarHBondContact O-CA 3.36Å; L261-N264 WeakPolarHBondContact O-CB 3.27Å; L261-N264 PolarHBondContact O-N 3.46Å; L261-G265 PolarHBondContact O-N 3.34Å; L261-G266 WeakPolarHBondContact O-CA 3.35Å; L261-G266 PolarHBondContact O-N 3.45Å; L261-M514 HydrophobicContact CB-SD 4.28Å
262	A	81.3	Confident	77	Confident	25 Å²	25	44.5 Å²	44.5	21%	0.207	27%	0.271	C	S	.	.	H	α-helix	trans	-62.6	-31.9	173	0	0	0	0	0	111.7	R258 Q259 N264 G265 E269	R258-A262 VanDerWaalsContact O-CB 3.32Å; R258-A262 WeakPolarHBondContact O-CB 3.47Å; R258-A262 PolarHBondContact O-N 3.48Å; Q259-A262 PolarHBondContact O-N 3.2Å; A262-N264 PolarHBondContact O-N 2.9Å; A262-G265 WeakPolarHBondContact O-CA 3.23Å; A262-G265 PolarHBondContact O-N 3.16Å; A262-E269 HydrophobicContact CB-CG 3.83Å
263	G	76.8	Confident	76.4	Confident	41 Å²	41	48.2 Å²	48.2	42%	0.423	29%	0.291	S	S	.	.	H	α-helix	trans	-57.2	-29.5	168.7	0	0	0	0	0	113.8	Q259 Q260 L261 G265	Q259-G263 PolarHBondContact O-N 3.39Å; Q260-G263 PolarHBondContact O-N 2.95Å; L261-G263 PolarHBondContact O-N 2.95Å; G263-G265 VanDerWaalsContact C-N 3.33Å
264	N	78.9	Confident	75.7	Confident	6 Å²	6	49.2 Å²	49.2	3%	0.032	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	4.4	173.1	-70.9	-9	0	0	0	113.5	L261 A262 L484 N487 A488 M514 K515	L261-N264 CarbonylContact O-C 3.48Å; L261-N264 WeakPolarHBondContact O-CA 3.36Å; L261-N264 WeakPolarHBondContact O-CB 3.27Å; L261-N264 PolarHBondContact O-N 3.46Å; A262-N264 PolarHBondContact O-N 2.9Å; N264-L484 HydrophobicContact CB-CD1 4.13Å; N264-L484 PolarHBondContact ND2-O 2.83Å; N264-N487 VanDerWaalsContact CG-CB 3.48Å; N264-N487 WeakPolarHBondContact ND2-CB 3.24Å; N264-N487 WeakPolarHBondContact OD1-CB 3.42Å; N264-N487 PolarHBondContact OD1-ND2 2.84Å; N264-A488 PolarHBondContact ND2-N 2.99Å; N264-M514 HydrophobicContact CB-SD 4.41Å; N264-K515 WeakPolarHBondContact O-CA 3.12Å; N264-K515 PolarHBondContact O-N 3.27Å
265	G	70.9	Confident	75.1	Confident	27 Å²	27	46.4 Å²	46.4	28%	0.278	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	19.9	-173.8	0	0	0	0	0	114.8	L261 A262 G263	L261-G265 PolarHBondContact O-N 3.34Å; A262-G265 WeakPolarHBondContact O-CA 3.23Å; A262-G265 PolarHBondContact O-N 3.16Å; G263-G265 VanDerWaalsContact C-N 3.33Å
266	G	71.4	Confident	74.2	Confident	15 Å²	15	46.4 Å²	46.4	16%	0.155	28%	0.283	C	S	.	.			trans	-63.9	175.7	172	0	0	0	0	0	114.1	L261 M514	L261-G266 WeakPolarHBondContact O-CA 3.35Å; L261-G266 PolarHBondContact O-N 3.45Å; G266-M514 VanDerWaalsContact CA-CG 3.42Å; G266-M514 WeakPolarHBondContact CA-SD 3.33Å; G266-M514 VanDerWaalsContact N-CG 3.34Å; G266-M514 PolarHBondContact N-SD 2.8Å
267	P	71.3	Confident	73.3	Confident	91 Å²	91	45.3 Å²	45.3	59%	0.591	29%	0.286	S	S	*	.	S	Bend	trans	-54.2	143.9	175.2	25.1	-33.8	0	0	0	110.1
268	P	69.6	Low	72	Confident	115 Å²	115	46.8 Å²	46.8	75%	0.747	29%	0.291	S	S	*	.			trans	-57.2	146.4	-174.6	23	-33	0	0	0	111.5	G270	P268-G270 PolarHBondContact O-N 3.3Å
269	E	64.7	Low	71.3	Confident	67 Å²	67	43.7 Å²	43.7	31%	0.313	28%	0.28	S	S	.	.			trans	-58.4	108	172.2	-67.5	168	-141.2	0	0	108.2	Q259 A262	Q259-E269 VanDerWaalsContact CA-CD 3.44Å; Q259-E269 VanDerWaalsContact CA-CG 3.46Å; Q259-E269 WeakPolarHBondContact CA-OE1 3.33Å; Q259-E269 HydrophobicContact CB-CG 3.77Å; Q259-E269 WeakPolarHBondContact CB-OE1 3.38Å; Q259-E269 WeakPolarHBondContact CB-OE2 3.39Å; Q259-E269 VanDerWaalsContact CG-CD 3.46Å; Q259-E269 HydrophobicContact CG-CG 4.42Å; Q259-E269 VanDerWaalsContact CG-OE1 3.26Å; Q259-E269 WeakPolarHBondContact CG-OE1 3.4Å; Q259-E269 WeakPolarHBondContact CG-OE2 3.09Å; Q259-E269 PolarHBondContact NE2-OE2 3.29Å; A262-E269 HydrophobicContact CB-CG 3.83Å
270	G	63	Low	70.6	Confident	39 Å²	39	43.6 Å²	43.6	40%	0.402	28%	0.28	S	S	.	.			trans	-52	154.9	175.2	0	0	0	0	0	111.7	W255 P268 L272	W255-G270 PolarHBondContact NE1-O 3.15Å; P268-G270 PolarHBondContact O-N 3.3Å; G270-L272 PolarHBondContact O-N 3.36Å; G270-L272 VanDerWaalsContact O-N 3.08Å
271	G	65.4	Low	70.2	Confident	46 Å²	46	44 Å²	44	47%	0.474	28%	0.281	S	S	.	.			trans	-54.5	112.6	-170.6	0	0	0	0	0	113.9	D273 I274	G271-D273 PolarHBondContact O-N 2.79Å; G271-D273 VanDerWaalsContact O-N 3.1Å; G271-I274 PolarHBondContact O-N 3.49Å
272	L	69.8	Low	70	Confident	15 Å²	15	46 Å²	46	8%	0.079	29%	0.288	C	S	.	.	H	α-helix	trans	-53.6	-25.4	170.6	-89.9	164	0	0	0	112.6	W255 G270 I274 L275 Q276 I334 E336 L356	W255-L272 HydrophobicContact CD2-CD2 3.96Å; W255-L272 VanDerWaalsContact CE2-CD2 3.46Å; W255-L272 HydrophobicContact CE3-CD2 4.31Å; W255-L272 HydrophobicContact CH2-CD1 3.9Å; W255-L272 HydrophobicContact CH2-CD2 3.83Å; W255-L272 HydrophobicContact CH2-CG 4.12Å; W255-L272 HydrophobicContact CZ2-CD1 3.41Å; W255-L272 VanDerWaalsContact CZ2-CD1 3.41Å; W255-L272 HydrophobicContact CZ2-CD2 3.44Å; W255-L272 VanDerWaalsContact CZ2-CD2 3.44Å; W255-L272 HydrophobicContact CZ2-CG 3.37Å; W255-L272 HydrophobicContact CZ3-CD2 4.25Å; G270-L272 PolarHBondContact O-N 3.36Å; G270-L272 VanDerWaalsContact O-N 3.08Å; L272-I274 PolarHBondContact O-N 2.97Å; L272-L275 HydrophobicContact CD2-CD1 4.45Å; L272-L275 PolarHBondContact O-N 3.23Å; L272-L275 VanDerWaalsContact O-N 3.13Å; L272-Q276 WeakPolarHBondContact O-CB 3.39Å; L272-Q276 PolarHBondContact O-N 3.05Å; L272-I334 HydrophobicContact CD2-CD1 3.6Å; L272-E336 HydrophobicContact CD1-CB 4.19Å; L272-E336 HydrophobicContact CD1-CG 3.78Å; L272-L356 HydrophobicContact CD2-CD2 4.43Å
273	D	70	Confident	70	Confident	88 Å²	88	44.8 Å²	44.8	47%	0.471	28%	0.278	S	S	.	.	H	α-helix	trans	-65.2	-28.5	-178	-56.2	-39.1	0	0	0	112.5	G271 S277 R354	G271-D273 PolarHBondContact O-N 2.79Å; G271-D273 VanDerWaalsContact O-N 3.1Å; D273-S277 WeakPolarHBondContact O-CB 3.44Å; D273-S277 PolarHBondContact O-N 3.33Å; D273-S277 PolarHBondContact O-OG 3.38Å; D273-R354 IonicContact OD1-CZ 3.31Å; D273-R354 IonicContact OD1-NH1 3.39Å; D273-R354 PolarHBondContact OD1-NH1 2.8Å; D273-R354 IonicContact OD1-NH2 3.11Å; D273-R354 PolarHBondContact OD1-NH2 3.27Å
274	I	69.4	Low	70.2	Confident	87 Å²	87	42.9 Å²	42.9	45%	0.446	26%	0.259	S	S	.	.	H	α-helix	trans	-68.7	-49.5	172.1	-59.7	173.4	0	0	0	109.1	Y141 G271 L272 Q276 W278	Y141-I274 HydrophobicContact CE1-CG2 4.22Å; G271-I274 PolarHBondContact O-N 3.49Å; L272-I274 PolarHBondContact O-N 2.97Å; I274-Q276 VanDerWaalsContact C-N 3.28Å; I274-Q276 PolarHBondContact O-N 3.49Å; I274-W278 HydrophobicContact CG2-CB 4.49Å; I274-W278 VanDerWaalsContact O-CB 3.24Å; I274-W278 WeakPolarHBondContact O-CB 3.28Å; I274-W278 PolarHBondContact O-N 3.07Å
275	L	69.8	Low	70.5	Confident	14 Å²	14	46.6 Å²	46.6	7%	0.073	28%	0.276	C	S	.	.	I	π-helix	trans	-60.3	-39.3	178	-65.3	177.2	0	0	0	112.3	E251 W255 L272 W279 C280	E251-L275 HydrophobicContact CB-CD2 4.42Å; W255-L275 HydrophobicContact CB-CD1 3.71Å; W255-L275 HydrophobicContact CD2-CD1 4.3Å; W255-L275 HydrophobicContact CG-CD1 3.58Å; L272-L275 HydrophobicContact CD2-CD1 4.45Å; L272-L275 PolarHBondContact O-N 3.23Å; L272-L275 VanDerWaalsContact O-N 3.13Å; L275-W279 HydrophobicContact CD2-CD2 4.46Å; L275-W279 HydrophobicContact CD2-CE3 3.27Å; L275-W279 HydrophobicContact CD2-CH2 4.41Å; L275-W279 HydrophobicContact CD2-CZ3 3.21Å; L275-W279 PolarHBondContact O-N 2.97Å; L275-C280 PolarHBondContact O-N 3.17Å; L275-C280 PolarHBondContact O-SG 3.28Å
276	Q	66.3	Low	71.1	Confident	4 Å²	4	46 Å²	46	2%	0.019	27%	0.267	C	S	.	.	I	π-helix	trans	-68.8	-60.6	178.4	-174.8	171.4	-41.7	0	0	111.4	L272 I274 C280 E281 L356 G411	L272-Q276 WeakPolarHBondContact O-CB 3.39Å; L272-Q276 PolarHBondContact O-N 3.05Å; I274-Q276 VanDerWaalsContact C-N 3.28Å; I274-Q276 PolarHBondContact O-N 3.49Å; Q276-C280 PolarHBondContact O-N 3.44Å; Q276-E281 HydrophobicContact CG-CG 4.1Å; Q276-E281 WeakPolarHBondContact CG-OE1 3.32Å; Q276-E281 PolarHBondContact NE2-OE1 2.99Å; Q276-E281 WeakPolarHBondContact O-CB 3.43Å; Q276-E281 WeakPolarHBondContact O-CG 3.42Å; Q276-E281 PolarHBondContact O-N 3.33Å; Q276-L356 HydrophobicContact CB-CD2 4.06Å; Q276-L356 HydrophobicContact CG-CB 4.35Å; Q276-L356 HydrophobicContact CG-CD2 4.32Å; Q276-L356 WeakPolarHBondContact CG-O 3.24Å; Q276-G411 PolarHBondContact NE2-O 3.37Å; Q276-G411 VanDerWaalsContact NE2-O 3.15Å
277	S	63.4	Low	71.9	Confident	55 Å²	55	45.3 Å²	45.3	39%	0.385	26%	0.26	S	S	.	.	I	π-helix	trans	-72.2	-38.9	-170.9	65	0	0	0	0	113	D273	D273-S277 WeakPolarHBondContact O-CB 3.44Å; D273-S277 PolarHBondContact O-N 3.33Å; D273-S277 PolarHBondContact O-OG 3.38Å
278	W	57.5	Low	72.6	Confident	110 Å²	110	43.3 Å²	43.3	42%	0.417	24%	0.24	S	C	.	.	I	π-helix	trans	-83.8	-34.2	-174.6	-96.1	74	0	0	0	113.2	N145 I274 K282	N145-W278 HydrophobicContact CB-CZ3 3.84Å; N145-W278 WeakPolarHBondContact ND2-CH2 2.92Å; N145-W278 WeakPolarHBondContact ND2-CZ3 3.36Å; N145-W278 WeakPolarHBondContact OD1-CZ3 2.96Å; I274-W278 HydrophobicContact CG2-CB 4.49Å; I274-W278 VanDerWaalsContact O-CB 3.24Å; I274-W278 WeakPolarHBondContact O-CB 3.28Å; I274-W278 PolarHBondContact O-N 3.07Å; W278-K282 WeakPolarHBondContact O-CD 3.43Å
279	W	67.9	Low	73.4	Confident	1 Å²	1	41.4 Å²	41.4	0%	0.004	22%	0.222	C	C	.	.	I	π-helix	trans	-120.5	-53.7	-166.6	-61.7	-22.5	0	0	0	113.3	Y141 I144 F148 I247 E251 L275 L283	Y141-W279 AromaticContact CD1-CH2 3.53Å; Y141-W279 HydrophobicContact CD1-CH2 3.53Å; Y141-W279 AromaticContact CD1-CZ2 3.09Å; Y141-W279 HydrophobicContact CD1-CZ2 3.09Å; Y141-W279 AromaticContact CE1-CH2 3.07Å; Y141-W279 HydrophobicContact CE1-CH2 3.07Å; Y141-W279 AromaticContact CE1-CZ2 3.16Å; Y141-W279 HydrophobicContact CE1-CZ2 3.16Å; Y141-W279 HydrophobicContact CE1-CZ3 4.01Å; Y141-W279 HydrophobicContact CG-CZ2 4.14Å; Y141-W279 AromaticContact CZ-CH2 3.81Å; I144-W279 HydrophobicContact CB-CZ2 4.38Å; I144-W279 HydrophobicContact CD1-CH2 3.91Å; I144-W279 HydrophobicContact CD1-CZ2 3.62Å; I144-W279 HydrophobicContact CG2-CD2 4.36Å; I144-W279 HydrophobicContact CG2-CG 4.4Å; I144-W279 HydrophobicContact CG2-CZ2 3.93Å; F148-W279 HydrophobicContact CE2-CB 4.4Å; F148-W279 AromaticContact CE2-CD1 3.45Å; F148-W279 VanDerWaalsContact CE2-CD1 3.45Å; F148-W279 HydrophobicContact CE2-CG 4.14Å; F148-W279 HydrophobicContact CZ-CB 4.28Å; I247-W279 HydrophobicContact CD1-CB 3.97Å; I247-W279 HydrophobicContact CD1-CG 4.26Å; I247-W279 HydrophobicContact CG1-CB 4.32Å; I247-W279 HydrophobicContact CG1-CG 4.45Å; I247-W279 HydrophobicContact CG2-CB 4.09Å; E251-W279 HydrophobicContact CB-CE3 4.28Å; E251-W279 HydrophobicContact CB-CH2 4.45Å; E251-W279 HydrophobicContact CB-CZ3 3.65Å; E251-W279 HydrophobicContact CG-CE3 4.28Å; E251-W279 HydrophobicContact CG-CH2 3.73Å; E251-W279 HydrophobicContact CG-CZ3 3.4Å; E251-W279 VanDerWaalsContact CG-CZ3 3.4Å; E251-W279 WeakPolarHBondContact OE2-CZ3 3.41Å; L275-W279 HydrophobicContact CD2-CD2 4.46Å; L275-W279 HydrophobicContact CD2-CE3 3.27Å; L275-W279 HydrophobicContact CD2-CH2 4.41Å; L275-W279 HydrophobicContact CD2-CZ3 3.21Å; L275-W279 PolarHBondContact O-N 2.97Å; W279-L283 WeakPolarHBondContact O-CB 3.34Å; W279-L283 VanDerWaalsContact O-CG 3.25Å; W279-L283 WeakPolarHBondContact O-CG 3.46Å; W279-L283 PolarHBondContact O-N 3.39Å
280	C	69.2	Low	74.5	Confident	5 Å²	5	38.2 Å²	38.2	3%	0.034	21%	0.207	C	C	.	.	I	π-helix	trans	-71.1	-43.9	-174.5	-63.9	0	0	0	0	112.4	L275 Q276 A284 T332 L356 V357	L275-C280 PolarHBondContact O-N 3.17Å; L275-C280 PolarHBondContact O-SG 3.28Å; Q276-C280 PolarHBondContact O-N 3.44Å; C280-A284 WeakPolarHBondContact O-CB 3.32Å; C280-A284 PolarHBondContact O-N 2.87Å; C280-T332 HydrophobicContact CB-CG2 4.43Å; C280-L356 HydrophobicContact CB-CB 3.98Å; C280-V357 HydrophobicContact CB-CG1 4.33Å
281	E	75.3	Confident	75.6	Confident	28 Å²	28	36.9 Å²	36.9	13%	0.131	19%	0.189	C	C	.	.	H	α-helix	trans	-68.7	-44.1	178.9	-74.1	-176.3	-168	0	0	112.3	Q276 A284 E285 K360	Q276-E281 HydrophobicContact CG-CG 4.1Å; Q276-E281 WeakPolarHBondContact CG-OE1 3.32Å; Q276-E281 PolarHBondContact NE2-OE1 2.99Å; Q276-E281 WeakPolarHBondContact O-CB 3.43Å; Q276-E281 WeakPolarHBondContact O-CG 3.42Å; Q276-E281 PolarHBondContact O-N 3.33Å; E281-A284 PolarHBondContact O-N 3.44Å; E281-E285 WeakPolarHBondContact O-CB 3.38Å; E281-E285 PolarHBondContact O-N 2.99Å; E281-K360 HydrophobicContact CB-CG 3.89Å; E281-K360 HydrophobicContact CG-CG 3.89Å; E281-K360 WeakPolarHBondContact OE2-CE 3.04Å
282	K	77.8	Confident	76.7	Confident	86 Å²	86	38 Å²	38	37%	0.374	18%	0.182	S	C	.	.	H	α-helix	trans	-65.2	-40.7	176.7	-66.8	-168.4	-171.1	172.2	0	112.3	F148 W278 T286	F148-K282 HydrophobicContact CD1-CB 4.4Å; F148-K282 HydrophobicContact CE1-CB 4.2Å; W278-K282 WeakPolarHBondContact O-CD 3.43Å; K282-T286 WeakPolarHBondContact O-CB 3.27Å; K282-T286 PolarHBondContact O-N 2.99Å; K282-T286 PolarHBondContact O-OG1 3.43Å
283	L	80.9	Confident	77.5	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60.8	-51.2	171.8	-83.9	177.7	0	0	0	110.8	F148 L240 Q243 I247 W279 E285 T286 I287	F148-L283 HydrophobicContact CD1-CD2 4.5Å; F148-L283 HydrophobicContact CE1-CB 4.32Å; F148-L283 HydrophobicContact CE1-CD2 3.47Å; F148-L283 VanDerWaalsContact CE1-CD2 3.47Å; F148-L283 HydrophobicContact CE1-CG 3.49Å; F148-L283 VanDerWaalsContact CE1-CG 3.49Å; F148-L283 HydrophobicContact CZ-CD1 4.35Å; F148-L283 HydrophobicContact CZ-CD2 3.86Å; F148-L283 HydrophobicContact CZ-CG 3.58Å; L240-L283 HydrophobicContact CD1-CD2 3.8Å; Q243-L283 HydrophobicContact CB-CD2 4.48Å; Q243-L283 HydrophobicContact CG-CD2 4.13Å; I247-L283 HydrophobicContact CB-CD1 4.22Å; I247-L283 HydrophobicContact CD1-CD1 3.43Å; I247-L283 VanDerWaalsContact CD1-CD1 3.43Å; I247-L283 HydrophobicContact CD1-CD2 4.43Å; I247-L283 HydrophobicContact CD1-CG 3.99Å; I247-L283 HydrophobicContact CG1-CD1 4.42Å; I247-L283 HydrophobicContact CG2-CD1 4.2Å; W279-L283 WeakPolarHBondContact O-CB 3.34Å; W279-L283 VanDerWaalsContact O-CG 3.25Å; W279-L283 WeakPolarHBondContact O-CG 3.46Å; W279-L283 PolarHBondContact O-N 3.39Å; L283-E285 VanDerWaalsContact C-N 3.28Å; L283-E285 PolarHBondContact O-N 3.25Å; L283-T286 PolarHBondContact O-N 3.01Å; L283-I287 HydrophobicContact CB-CD1 4.26Å; L283-I287 WeakPolarHBondContact O-CB 3.41Å; L283-I287 WeakPolarHBondContact O-CD1 3.24Å; L283-I287 WeakPolarHBondContact O-CG1 3.33Å; L283-I287 PolarHBondContact O-N 2.95Å
284	A	82.4	Confident	78.3	Confident	2 Å²	2	33.4 Å²	33.4	2%	0.017	16%	0.158	C	C	.	.	H	α-helix	trans	-58.7	-43.2	-177.5	0	0	0	0	0	111.1	C280 E281 W288 L328 V357	C280-A284 WeakPolarHBondContact O-CB 3.32Å; C280-A284 PolarHBondContact O-N 2.87Å; E281-A284 PolarHBondContact O-N 3.44Å; A284-W288 WeakPolarHBondContact O-CB 3.46Å; A284-W288 PolarHBondContact O-N 3.5Å; A284-L328 HydrophobicContact CB-CD2 3.93Å; A284-V357 HydrophobicContact CB-CB 4.24Å; A284-V357 HydrophobicContact CB-CG1 3.95Å
285	E	83.9	Confident	79.1	Confident	84 Å²	84	32.8 Å²	32.8	39%	0.393	15%	0.15	S	C	.	.	H	α-helix	trans	-61.7	-48.9	175.6	-178.1	170.3	-174.7	0	0	111.7	E281 L283 I287 W288 Q289	E281-E285 WeakPolarHBondContact O-CB 3.38Å; E281-E285 PolarHBondContact O-N 2.99Å; L283-E285 VanDerWaalsContact C-N 3.28Å; L283-E285 PolarHBondContact O-N 3.25Å; E285-I287 PolarHBondContact O-N 3Å; E285-W288 PolarHBondContact O-N 3.45Å; E285-Q289 HydrophobicContact CG-CG 4.48Å; E285-Q289 WeakPolarHBondContact O-CB 3.4Å; E285-Q289 VanDerWaalsContact O-CG 3.28Å; E285-Q289 WeakPolarHBondContact O-CG 3.48Å; E285-Q289 PolarHBondContact O-N 3.3Å; E285-Q289 PolarHBondContact OE1-NE2 3Å
286	T	85.2	Confident	79.9	Confident	13 Å²	13	38.8 Å²	38.8	8%	0.08	17%	0.171	C	C	.	.	H	α-helix	trans	-63.8	-43.3	-179.7	-52.7	0	0	0	0	111.7	L151 T155 L240 K282 L283 W288 Q289 N290	L151-T286 HydrophobicContact CB-CG2 4.47Å; T155-T286 WeakPolarHBondContact OG1-CG2 3.28Å; L240-T286 HydrophobicContact CD1-CG2 4.44Å; K282-T286 WeakPolarHBondContact O-CB 3.27Å; K282-T286 PolarHBondContact O-N 2.99Å; K282-T286 PolarHBondContact O-OG1 3.43Å; L283-T286 PolarHBondContact O-N 3.01Å; T286-W288 VanDerWaalsContact C-N 3.35Å; T286-Q289 PolarHBondContact O-N 2.95Å; T286-N290 PolarHBondContact O-N 3.44Å; T286-N290 PolarHBondContact O-ND2 3.49Å
287	I	86.3	Confident	80.8	Confident	2 Å²	2	39 Å²	39	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-61.5	-45.8	174.9	-67.2	158.7	0	0	0	109.9	L240 L283 E285 N290 R291 I321 I324 I325 L328	L240-I287 HydrophobicContact CD1-CD1 4.48Å; L240-I287 HydrophobicContact CD1-CG1 3.83Å; L240-I287 HydrophobicContact CD2-CB 4.16Å; L240-I287 HydrophobicContact CD2-CD1 4.46Å; L240-I287 HydrophobicContact CD2-CG1 3.32Å; L240-I287 HydrophobicContact CG-CD1 4.4Å; L240-I287 HydrophobicContact CG-CG1 3.68Å; L283-I287 HydrophobicContact CB-CD1 4.26Å; L283-I287 WeakPolarHBondContact O-CB 3.41Å; L283-I287 WeakPolarHBondContact O-CD1 3.24Å; L283-I287 WeakPolarHBondContact O-CG1 3.33Å; L283-I287 PolarHBondContact O-N 2.95Å; E285-I287 PolarHBondContact O-N 3Å; I287-N290 PolarHBondContact O-N 2.85Å; I287-R291 PolarHBondContact O-N 3.32Å; I287-I321 HydrophobicContact CG2-CG1 4.07Å; I287-I324 HydrophobicContact CD1-CG2 3.7Å; I287-I324 HydrophobicContact CG1-CG2 3.98Å; I287-I324 HydrophobicContact CG2-CG2 4.18Å; I287-I325 HydrophobicContact CG2-CD1 3.93Å; I287-I325 HydrophobicContact CG2-CG1 3.32Å; I287-L328 HydrophobicContact CD1-CD2 3.72Å
288	W	86	Confident	81.8	Confident	48 Å²	48	38.4 Å²	38.4	18%	0.182	17%	0.165	C	C	.	.	H	α-helix	trans	-66.3	-41.2	-178.1	-164.3	-104.4	0	0	0	112.2	A284 E285 T286 R291 Q292 I325 L361 V451 L456	A284-W288 WeakPolarHBondContact O-CB 3.46Å; A284-W288 PolarHBondContact O-N 3.5Å; E285-W288 PolarHBondContact O-N 3.45Å; T286-W288 VanDerWaalsContact C-N 3.35Å; W288-R291 WeakPolarHBondContact O-CB 3.41Å; W288-R291 PolarHBondContact O-N 3.11Å; W288-Q292 WeakPolarHBondContact O-CG 3.5Å; W288-Q292 PolarHBondContact O-N 2.96Å; W288-I325 HydrophobicContact CE3-CD1 4.18Å; W288-I325 HydrophobicContact CZ3-CD1 4.22Å; W288-L361 HydrophobicContact CD2-CD2 4.17Å; W288-L361 HydrophobicContact CE3-CD2 3.89Å; W288-L361 HydrophobicContact CG-CD2 4.47Å; W288-L361 HydrophobicContact CZ3-CD2 4.5Å; W288-V451 HydrophobicContact CE3-CG1 4.5Å; W288-V451 HydrophobicContact CH2-CG1 3.71Å; W288-V451 HydrophobicContact CZ2-CG1 4.43Å; W288-V451 HydrophobicContact CZ3-CG1 3.73Å; W288-L456 HydrophobicContact CZ3-CD1 4.46Å
289	Q	87.3	Confident	83.1	Confident	75 Å²	75	38 Å²	38	35%	0.35	17%	0.168	S	C	.	.	H	α-helix	trans	-59.3	-47.8	173.7	-74	175.5	5.6	0	0	111.3	T155 E285 T286 R291 Q292 Q293	T155-Q289 HydrophobicContact CG2-CB 4.14Å; E285-Q289 HydrophobicContact CG-CG 4.48Å; E285-Q289 WeakPolarHBondContact O-CB 3.4Å; E285-Q289 VanDerWaalsContact O-CG 3.28Å; E285-Q289 WeakPolarHBondContact O-CG 3.48Å; E285-Q289 PolarHBondContact O-N 3.3Å; E285-Q289 PolarHBondContact OE1-NE2 3Å; T286-Q289 PolarHBondContact O-N 2.95Å; Q289-R291 VanDerWaalsContact C-N 3.28Å; Q289-R291 PolarHBondContact O-N 2.93Å; Q289-Q292 PolarHBondContact O-N 2.75Å; Q289-Q293 WeakPolarHBondContact O-CG 3.36Å; Q289-Q293 PolarHBondContact O-N 3.16Å
290	N	87.8	Confident	83.8	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-59.9	-37.7	176.1	-83.3	-82	0	0	0	112.1	T155 T286 I287 Q293 I294 I321	T155-N290 VanDerWaalsContact CG2-ND2 3.3Å; T155-N290 WeakPolarHBondContact CG2-ND2 3.44Å; T155-N290 PolarHBondContact OG1-ND2 2.98Å; T286-N290 PolarHBondContact O-N 3.44Å; T286-N290 PolarHBondContact O-ND2 3.49Å; I287-N290 PolarHBondContact O-N 2.85Å; N290-Q293 PolarHBondContact O-N 3.27Å; N290-I294 WeakPolarHBondContact O-CG1 3.4Å; N290-I294 PolarHBondContact O-N 3.21Å; N290-I321 HydrophobicContact CB-CD1 3.91Å
291	R	86.9	Confident	84.4	Confident	11 Å²	11	40.8 Å²	40.8	4%	0.042	18%	0.178	C	C	.	.	H	α-helix	trans	-62.7	-45.1	175	-174.1	179.4	177.9	79.5	0.7	112.3	I287 W288 Q289 Q293 I294 R295 I321 T322	I287-R291 PolarHBondContact O-N 3.32Å; W288-R291 WeakPolarHBondContact O-CB 3.41Å; W288-R291 PolarHBondContact O-N 3.11Å; Q289-R291 VanDerWaalsContact C-N 3.28Å; Q289-R291 PolarHBondContact O-N 2.93Å; R291-Q293 VanDerWaalsContact C-N 3.29Å; R291-Q293 PolarHBondContact O-N 3.38Å; R291-I294 PolarHBondContact O-N 3.35Å; R291-R295 PolarHBondContact O-N 3.45Å; R291-I321 VanDerWaalsContact CA-CD1 3.44Å; R291-I321 HydrophobicContact CB-CD1 3.63Å; R291-I321 HydrophobicContact CB-CG1 4.41Å; R291-I321 HydrophobicContact CG-CD1 4.48Å; R291-I321 HydrophobicContact CG-CG2 4.46Å; R291-T322 PolarHBondContact NH1-OG1 3.26Å
292	Q	86.9	Confident	84.7	Confident	70 Å²	70	45.9 Å²	45.9	33%	0.327	20%	0.202	S	C	.	.	H	α-helix	trans	-64.4	-36.7	177.7	-66.2	-61.5	-23.1	0	0	111.5	W288 Q289 R296	W288-Q292 WeakPolarHBondContact O-CG 3.5Å; W288-Q292 PolarHBondContact O-N 2.96Å; Q289-Q292 PolarHBondContact O-N 2.75Å; Q292-R296 WeakPolarHBondContact O-CB 3.32Å; Q292-R296 WeakPolarHBondContact O-CG 3.48Å; Q292-R296 PolarHBondContact O-N 3.15Å
293	Q	87.9	Confident	84.9	Confident	7 Å²	7	46.5 Å²	46.5	3%	0.033	21%	0.206	C	C	.	.	H	α-helix	trans	-63.6	-47.4	174.3	-68.9	177.5	21.9	0	0	111.7	T155 T158 E159 L162 H233 Q289 N290 R291 R295 R296 A297	T155-Q293 PolarHBondContact O-NE2 3.16Å; T158-Q293 PolarHBondContact OG1-OE1 3.36Å; E159-Q293 HydrophobicContact CG-CG 4.47Å; L162-Q293 HydrophobicContact CD2-CB 4Å; L162-Q293 HydrophobicContact CD2-CG 4.14Å; H233-Q293 PolarHBondContact CE1-OE1 2.77Å; H233-Q293 VanDerWaalsContact CE1-OE1 3.29Å; Q289-Q293 WeakPolarHBondContact O-CG 3.36Å; Q289-Q293 PolarHBondContact O-N 3.16Å; N290-Q293 PolarHBondContact O-N 3.27Å; R291-Q293 VanDerWaalsContact C-N 3.29Å; R291-Q293 PolarHBondContact O-N 3.38Å; Q293-R295 PolarHBondContact O-N 3.48Å; Q293-R296 PolarHBondContact O-N 3.2Å; Q293-A297 PolarHBondContact O-N 3.22Å
294	I	87	Confident	84.8	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.9	-44	177.4	-66.1	164.2	0	0	0	110.9	L237 N290 R291 R296 A297 E298 L314 L317 N318 I321	L237-I294 HydrophobicContact CD1-CD1 4.34Å; N290-I294 WeakPolarHBondContact O-CG1 3.4Å; N290-I294 PolarHBondContact O-N 3.21Å; R291-I294 PolarHBondContact O-N 3.35Å; I294-R296 PolarHBondContact O-N 3.46Å; I294-A297 WeakPolarHBondContact O-CB 3.49Å; I294-A297 PolarHBondContact O-N 3.36Å; I294-A297 VanDerWaalsContact O-N 3.14Å; I294-E298 PolarHBondContact O-N 3.47Å; I294-L314 HydrophobicContact CG2-CD2 4.35Å; I294-L317 HydrophobicContact CD1-CB 4.22Å; I294-N318 WeakPolarHBondContact CG2-OD1 3.43Å; I294-I321 HydrophobicContact CD1-CD1 3.91Å; I294-I321 HydrophobicContact CD1-CG2 4.44Å
295	R	85.9	Confident	84.4	Confident	74 Å²	74	52 Å²	52	28%	0.279	24%	0.241	S	C	.	.	H	α-helix	trans	-63.2	-39	176	-79.7	-167.1	172.5	-137.9	14.8	113.6	R291 Q293 A297 E298 H299 E455	R291-R295 PolarHBondContact O-N 3.45Å; Q293-R295 PolarHBondContact O-N 3.48Å; R295-A297 VanDerWaalsContact C-N 3.32Å; R295-E298 WeakPolarHBondContact O-CB 3.37Å; R295-E298 PolarHBondContact O-N 3.27Å; R295-H299 PolarHBondContact O-N 3.32Å; R295-E455 IonicContact CZ-OE1 2.66Å; R295-E455 IonicContact CZ-OE2 3.04Å; R295-E455 IonicContact NE-OE2 3.96Å; R295-E455 IonicContact NH1-OE1 2.69Å; R295-E455 PolarHBondContact NH1-OE1 3.32Å; R295-E455 IonicContact NH1-OE2 3.01Å; R295-E455 PolarHBondContact NH1-OE2 3.13Å; R295-E455 VanDerWaalsContact NH1-OE2 3.15Å; R295-E455 IonicContact NH2-OE1 2.87Å; R295-E455 IonicContact NH2-OE2 2.73Å; R295-E455 PolarHBondContact NH2-OE2 3.25Å
296	R	85.8	Confident	83.7	Confident	139 Å²	139	49.5 Å²	49.5	53%	0.525	23%	0.229	S	C	.	.	H	α-helix	trans	-63.8	-40.1	173.1	-78.2	177.7	177.5	-176.6	0.2	110.9	L162 Q292 Q293 I294 E298 H299 L300	L162-R296 HydrophobicContact CD2-CB 3.87Å; Q292-R296 WeakPolarHBondContact O-CB 3.32Å; Q292-R296 WeakPolarHBondContact O-CG 3.48Å; Q292-R296 PolarHBondContact O-N 3.15Å; Q293-R296 PolarHBondContact O-N 3.2Å; I294-R296 PolarHBondContact O-N 3.46Å; R296-E298 VanDerWaalsContact C-N 3.33Å; R296-E298 PolarHBondContact O-N 3.02Å; R296-H299 PolarHBondContact O-N 3.38Å; R296-L300 WeakPolarHBondContact O-CG 3.16Å; R296-L300 PolarHBondContact O-N 3.35Å
297	A	85.3	Confident	82.8	Confident	10 Å²	10	54.5 Å²	54.5	8%	0.083	26%	0.262	C	S	.	.	H	α-helix	trans	-61.6	-40.1	173.9	0	0	0	0	0	112	L162 Q293 I294 R295 L300 R301 L314	L162-A297 HydrophobicContact CD1-CB 4.01Å; Q293-A297 PolarHBondContact O-N 3.22Å; I294-A297 WeakPolarHBondContact O-CB 3.49Å; I294-A297 PolarHBondContact O-N 3.36Å; I294-A297 VanDerWaalsContact O-N 3.14Å; R295-A297 VanDerWaalsContact C-N 3.32Å; A297-L300 PolarHBondContact O-N 3.48Å; A297-R301 PolarHBondContact O-N 2.78Å; A297-L314 HydrophobicContact CB-CD2 4.34Å
298	E	84	Confident	81.9	Confident	41 Å²	41	55.9 Å²	55.9	19%	0.192	28%	0.277	C	S	.	.	H	α-helix	trans	-63	-42.5	172.1	-72.1	-177	139.1	0	0	112.5	I294 R295 R296 R301 Q302 L314 N318	I294-E298 PolarHBondContact O-N 3.47Å; R295-E298 WeakPolarHBondContact O-CB 3.37Å; R295-E298 PolarHBondContact O-N 3.27Å; R296-E298 VanDerWaalsContact C-N 3.33Å; R296-E298 PolarHBondContact O-N 3.02Å; E298-R301 WeakPolarHBondContact O-CB 3.13Å; E298-R301 PolarHBondContact O-N 3.08Å; E298-Q302 WeakPolarHBondContact O-CG 3.49Å; E298-Q302 PolarHBondContact O-N 3.47Å; E298-L314 HydrophobicContact CG-CB 4.35Å; E298-L314 HydrophobicContact CG-CD1 4.15Å; E298-N318 PolarHBondContact OE1-ND2 2.99Å; E298-N318 PolarHBondContact OE2-ND2 3.27Å
299	H	85.9	Confident	81.3	Confident	101 Å²	101	57.4 Å²	57.4	47%	0.468	29%	0.293	S	S	.	.	H	α-helix	trans	-62.7	-44.5	177	-171.2	64.1	0	0	0	111.6	R295 R296 R301 Q302 Q303	R295-H299 PolarHBondContact O-N 3.32Å; R296-H299 PolarHBondContact O-N 3.38Å; H299-R301 VanDerWaalsContact C-N 3.28Å; H299-R301 PolarHBondContact O-N 2.96Å; H299-Q302 PolarHBondContact O-N 3.25Å; H299-Q302 VanDerWaalsContact O-N 3.16Å; H299-Q303 PolarHBondContact CD2-NE2 2.8Å; H299-Q303 VanDerWaalsContact CD2-NE2 3.34Å; H299-Q303 PolarHBondContact NE2-NE2 2.9Å; H299-Q303 WeakPolarHBondContact O-CG 3.4Å; H299-Q303 PolarHBondContact O-N 3.28Å
300	L	82.8	Confident	80.5	Confident	8 Å²	8	54.3 Å²	54.3	4%	0.042	28%	0.278	C	S	.	.	H	α-helix	trans	-59.9	-39.2	173.5	-70.7	174.4	0	0	0	111.4	L162 Q166 Q169 R226 R296 A297 Q303 L304	L162-L300 HydrophobicContact CD1-CD1 3.85Å; Q166-L300 HydrophobicContact CB-CD1 3.98Å; Q166-L300 HydrophobicContact CB-CD2 4.11Å; Q166-L300 HydrophobicContact CG-CD2 3.93Å; Q169-L300 PolarHBondContact NE2-O 3.42Å; Q169-L300 PolarHBondContact OE1-O 2.86Å; R226-L300 PolarHBondContact NH2-O 3.19Å; R296-L300 WeakPolarHBondContact O-CG 3.16Å; R296-L300 PolarHBondContact O-N 3.35Å; A297-L300 PolarHBondContact O-N 3.48Å; L300-Q303 PolarHBondContact O-N 3.28Å; L300-L304 PolarHBondContact O-N 3.28Å
301	R	80.7	Confident	79.8	Confident	57 Å²	57	58 Å²	58	22%	0.215	30%	0.296	C	S	.	.	H	α-helix	trans	-62.7	-44.2	173.7	-166.2	-144.6	97.9	163.4	19	112.1	A297 E298 H299 Q303 L304 E311	A297-R301 PolarHBondContact O-N 2.78Å; E298-R301 WeakPolarHBondContact O-CB 3.13Å; E298-R301 PolarHBondContact O-N 3.08Å; H299-R301 VanDerWaalsContact C-N 3.28Å; H299-R301 PolarHBondContact O-N 2.96Å; R301-Q303 VanDerWaalsContact C-N 3.32Å; R301-Q303 PolarHBondContact O-N 2.83Å; R301-L304 CarbonylContact O-C 3.49Å; R301-L304 PolarHBondContact O-N 3.49Å; R301-L304 VanDerWaalsContact O-O 3.13Å; R301-E311 IonicContact CZ-OE1 3.5Å; R301-E311 IonicContact CZ-OE2 3.59Å; R301-E311 VanDerWaalsContact CZ-OE2 3.27Å; R301-E311 IonicContact NE-OE1 3.93Å; R301-E311 VanDerWaalsContact NH1-CB 3.33Å; R301-E311 IonicContact NH1-OE1 2.84Å; R301-E311 PolarHBondContact NH1-OE1 2.94Å; R301-E311 IonicContact NH1-OE2 3.88Å; R301-E311 PolarHBondContact NH1-OE2 3.4Å; R301-E311 IonicContact NH2-OE1 3.74Å; R301-E311 PolarHBondContact NH2-OE1 2.78Å; R301-E311 IonicContact NH2-OE2 2.67Å; R301-E311 PolarHBondContact NH2-OE2 2.81Å
302	Q	82.6	Confident	79.5	Confident	136 Å²	136	64.8 Å²	64.8	64%	0.636	33%	0.328	S	S	*	.	H	α-helix	trans	-64.2	-36.1	179.2	-72.6	175.8	4	0	0	112.3	E298 H299 L304	E298-Q302 WeakPolarHBondContact O-CG 3.49Å; E298-Q302 PolarHBondContact O-N 3.47Å; H299-Q302 PolarHBondContact O-N 3.25Å; H299-Q302 VanDerWaalsContact O-N 3.16Å; Q302-L304 VanDerWaalsContact C-N 3.34Å
303	Q	82	Confident	79.2	Confident	98 Å²	98	63 Å²	63	46%	0.458	32%	0.32	S	S	.	.	H	α-helix	trans	-66.9	-33.9	176.2	-71.7	-176.7	-0.6	0	0	113.2	H299 L300 R301	H299-Q303 PolarHBondContact CD2-NE2 2.8Å; H299-Q303 VanDerWaalsContact CD2-NE2 3.34Å; H299-Q303 PolarHBondContact NE2-NE2 2.9Å; H299-Q303 WeakPolarHBondContact O-CG 3.4Å; H299-Q303 PolarHBondContact O-N 3.28Å; L300-Q303 PolarHBondContact O-N 3.28Å; R301-Q303 VanDerWaalsContact C-N 3.32Å; R301-Q303 PolarHBondContact O-N 2.83Å
304	L	77.6	Confident	78.9	Confident	27 Å²	27	63.1 Å²	63.1	14%	0.141	32%	0.321	C	S	.	.	S	Bend	trans	-137.4	85.9	178.6	-163.9	105.2	0	0	0	110.2	Q169 F172 I173 R226 L300 R301 Q302 I306	Q169-L304 HydrophobicContact CG-CB 4.39Å; F172-L304 HydrophobicContact CD1-CD1 3.87Å; F172-L304 HydrophobicContact CD1-CD2 4.04Å; F172-L304 HydrophobicContact CE1-CD1 3.83Å; F172-L304 HydrophobicContact CE1-CD2 3.99Å; I173-L304 HydrophobicContact CG1-CD1 3.95Å; R226-L304 PolarHBondContact NH1-O 2.88Å; R226-L304 PolarHBondContact NH2-O 3.01Å; L300-L304 PolarHBondContact O-N 3.28Å; R301-L304 CarbonylContact O-C 3.49Å; R301-L304 PolarHBondContact O-N 3.49Å; R301-L304 VanDerWaalsContact O-O 3.13Å; Q302-L304 VanDerWaalsContact C-N 3.34Å; L304-I306 HydrophobicContact CD2-CD1 3.69Å; L304-I306 HydrophobicContact CD2-CG1 3.73Å; L304-I306 HydrophobicContact CG-CG1 4.48Å; L304-I306 PolarHBondContact O-N 2.88Å; L304-I306 VanDerWaalsContact O-N 3.11Å
305	P	74.1	Confident	78.8	Confident	92 Å²	92	67.7 Å²	67.7	60%	0.597	35%	0.346	S	S	*	.			trans	-72.8	105.3	179.3	27.2	-31	0	0	0	109.5
306	I	69.3	Low	78.8	Confident	31 Å²	31	69.4 Å²	69.4	16%	0.159	36%	0.357	C	S	.	.			trans	-99.6	122.1	168.6	-55.3	173	0	0	0	106	L222 L304 G308	L222-I306 HydrophobicContact CB-CD1 4.42Å; L304-I306 HydrophobicContact CD2-CD1 3.69Å; L304-I306 HydrophobicContact CD2-CG1 3.73Å; L304-I306 HydrophobicContact CG-CG1 4.48Å; L304-I306 PolarHBondContact O-N 2.88Å; L304-I306 VanDerWaalsContact O-N 3.11Å; I306-G308 PolarHBondContact O-N 3.01Å
307	P	66.9	Low	78.9	Confident	117 Å²	117	63 Å²	63	76%	0.76	33%	0.333	S	S	*	.			trans	-57.1	125.6	178.4	-22.9	32.1	0	0	0	111.6
308	G	67.1	Low	78.9	Confident	31 Å²	31	63.7 Å²	63.7	32%	0.32	34%	0.335	S	S	.	.	S	Bend	trans	175.9	171.9	178.1	0	0	0	0	0	114.4	I306 I310	I306-G308 PolarHBondContact O-N 3.01Å; G308-I310 PolarHBondContact O-N 2.84Å
309	P	72.7	Confident	79.1	Confident	81 Å²	81	64.9 Å²	64.9	53%	0.526	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-0.2	-175.3	29.9	-35.9	0	0	0	114.4	L227 E311 E312 L313	L227-P309 HydrophobicContact CD2-CG 4.41Å; P309-E311 PolarHBondContact O-N 3.41Å; P309-E312 PolarHBondContact O-N 3.35Å; P309-L313 PolarHBondContact O-N 3.18Å
310	I	71.8	Confident	79.3	Confident	9 Å²	9	61.8 Å²	61.8	5%	0.046	34%	0.337	C	S	.	.	H	α-helix	trans	-63.7	-25.9	-177.8	-65.3	155.9	0	0	0	111.5	Q223 R226 L227 G308 L314	Q223-I310 HydrophobicContact CG-CD1 4.12Å; R226-I310 HydrophobicContact CB-CD1 3.6Å; R226-I310 HydrophobicContact CB-CG1 4.36Å; R226-I310 HydrophobicContact CG-CD1 4.49Å; L227-I310 HydrophobicContact CD2-CD1 4.4Å; L227-I310 HydrophobicContact CD2-CG1 3.68Å; L227-I310 HydrophobicContact CG-CD1 4.27Å; L227-I310 HydrophobicContact CG-CG1 4.06Å; G308-I310 PolarHBondContact O-N 2.84Å; I310-L314 HydrophobicContact CG2-CD1 3.69Å; I310-L314 HydrophobicContact CG2-CG 4.03Å; I310-L314 WeakPolarHBondContact O-CB 3.32Å; I310-L314 WeakPolarHBondContact O-CG 3.35Å; I310-L314 PolarHBondContact O-N 3.29Å
311	E	73.6	Confident	79.5	Confident	79 Å²	79	61.4 Å²	61.4	37%	0.369	34%	0.335	S	S	.	.	H	α-helix	trans	-64.1	-47.2	179.5	-51	-150.2	176	0	0	112.6	R301 P309 N315	R301-E311 IonicContact CZ-OE1 3.5Å; R301-E311 IonicContact CZ-OE2 3.59Å; R301-E311 VanDerWaalsContact CZ-OE2 3.27Å; R301-E311 IonicContact NE-OE1 3.93Å; R301-E311 VanDerWaalsContact NH1-CB 3.33Å; R301-E311 IonicContact NH1-OE1 2.84Å; R301-E311 PolarHBondContact NH1-OE1 2.94Å; R301-E311 IonicContact NH1-OE2 3.88Å; R301-E311 PolarHBondContact NH1-OE2 3.4Å; R301-E311 IonicContact NH2-OE1 3.74Å; R301-E311 PolarHBondContact NH2-OE1 2.78Å; R301-E311 IonicContact NH2-OE2 2.67Å; R301-E311 PolarHBondContact NH2-OE2 2.81Å; P309-E311 PolarHBondContact O-N 3.41Å; E311-N315 VanDerWaalsContact O-CG 3.28Å; E311-N315 PolarHBondContact O-N 3.08Å; E311-N315 PolarHBondContact O-ND2 3.2Å
312	E	78.7	Confident	79.8	Confident	152 Å²	152	60.5 Å²	60.5	71%	0.71	34%	0.336	S	S	*	.	H	α-helix	trans	-67.1	-42.6	-179.9	-66.8	178.3	174.3	0	0	110.5	P309 N315 E316	P309-E312 PolarHBondContact O-N 3.35Å; E312-N315 PolarHBondContact O-N 3.44Å; E312-E316 PolarHBondContact O-N 2.89Å
313	L	82.1	Confident	80.1	Confident	33 Å²	33	58 Å²	58	17%	0.173	33%	0.327	C	S	.	.	H	α-helix	trans	-65.2	-42.8	-179.4	-166	66.8	0	0	0	112.1	A230 P309 E316 L317	A230-L313 HydrophobicContact CB-CD2 3.39Å; A230-L313 HydrophobicContact CB-CG 4.14Å; P309-L313 PolarHBondContact O-N 3.18Å; L313-E316 PolarHBondContact O-N 3.33Å; L313-L317 HydrophobicContact CG-CD1 4.42Å; L313-L317 WeakPolarHBondContact O-CB 3.46Å; L313-L317 WeakPolarHBondContact O-CG 3.48Å; L313-L317 PolarHBondContact O-N 3.36Å
314	L	80.6	Confident	80.4	Confident	9 Å²	9	53.5 Å²	53.5	5%	0.047	31%	0.305	C	S	.	.	H	α-helix	trans	-64.8	-39.3	176.2	-74.3	173.6	0	0	0	112	I294 A297 E298 I310 L317 N318	I294-L314 HydrophobicContact CG2-CD2 4.35Å; A297-L314 HydrophobicContact CB-CD2 4.34Å; E298-L314 HydrophobicContact CG-CB 4.35Å; E298-L314 HydrophobicContact CG-CD1 4.15Å; I310-L314 HydrophobicContact CG2-CD1 3.69Å; I310-L314 HydrophobicContact CG2-CG 4.03Å; I310-L314 WeakPolarHBondContact O-CB 3.32Å; I310-L314 WeakPolarHBondContact O-CG 3.35Å; I310-L314 PolarHBondContact O-N 3.29Å; L314-L317 HydrophobicContact CD2-CD1 4.49Å; L314-L317 PolarHBondContact O-N 3.27Å; L314-N318 WeakPolarHBondContact O-CB 3.45Å; L314-N318 PolarHBondContact O-N 3.34Å
315	N	84.4	Confident	80.8	Confident	97 Å²	97	52.4 Å²	52.4	52%	0.519	30%	0.3	S	S	.	.	H	α-helix	trans	-63.7	-42.8	175.4	-73.5	-26.6	0	0	0	111.7	E311 E312 N318 S319	E311-N315 VanDerWaalsContact O-CG 3.28Å; E311-N315 PolarHBondContact O-N 3.08Å; E311-N315 PolarHBondContact O-ND2 3.2Å; E312-N315 PolarHBondContact O-N 3.44Å; N315-N318 PolarHBondContact O-N 3.15Å; N315-S319 PolarHBondContact O-N 2.88Å
316	E	87.4	Confident	81.4	Confident	109 Å²	109	50.2 Å²	50.2	51%	0.509	29%	0.286	S	S	.	.	H	α-helix	trans	-63.3	-44	176.2	-170.7	-174.3	168	0	0	111.8	E312 L313 N318 S319 T320	E312-E316 PolarHBondContact O-N 2.89Å; L313-E316 PolarHBondContact O-N 3.33Å; E316-N318 VanDerWaalsContact C-N 3.32Å; E316-N318 PolarHBondContact O-N 3.21Å; E316-S319 PolarHBondContact O-N 3.49Å; E316-T320 WeakPolarHBondContact O-CB 3.33Å; E316-T320 PolarHBondContact O-N 3.25Å; E316-T320 PolarHBondContact O-OG1 2.67Å
317	L	86.8	Confident	82.2	Confident	6 Å²	6	50.5 Å²	50.5	3%	0.031	29%	0.294	C	S	.	.	H	α-helix	trans	-61.3	-41.8	175.2	-69.2	170.7	0	0	0	111.3	A230 H233 Q234 L237 I294 L313 L314 T320 I321	A230-L317 HydrophobicContact CB-CD1 4.16Å; H233-L317 HydrophobicContact CB-CD1 4.14Å; H233-L317 HydrophobicContact CB-CD2 4.45Å; Q234-L317 HydrophobicContact CB-CD2 3.89Å; Q234-L317 HydrophobicContact CG-CD2 4.23Å; L237-L317 HydrophobicContact CD1-CB 4.34Å; L237-L317 HydrophobicContact CD1-CD2 3.69Å; I294-L317 HydrophobicContact CD1-CB 4.22Å; L313-L317 HydrophobicContact CG-CD1 4.42Å; L313-L317 WeakPolarHBondContact O-CB 3.46Å; L313-L317 WeakPolarHBondContact O-CG 3.48Å; L313-L317 PolarHBondContact O-N 3.36Å; L314-L317 HydrophobicContact CD2-CD1 4.49Å; L314-L317 PolarHBondContact O-N 3.27Å; L317-T320 PolarHBondContact O-N 3.44Å; L317-I321 WeakPolarHBondContact O-CB 3.46Å; L317-I321 WeakPolarHBondContact O-CG2 3.46Å; L317-I321 PolarHBondContact O-N 2.99Å
318	N	86.8	Confident	83.1	Confident	23 Å²	23	45.1 Å²	45.1	12%	0.123	26%	0.258	C	S	.	.	H	α-helix	trans	-67.6	-36.3	177	-101.9	-21.5	0	0	0	113.2	I294 E298 L314 N315 E316 I321 T322	I294-N318 WeakPolarHBondContact CG2-OD1 3.43Å; E298-N318 PolarHBondContact OE1-ND2 2.99Å; E298-N318 PolarHBondContact OE2-ND2 3.27Å; L314-N318 WeakPolarHBondContact O-CB 3.45Å; L314-N318 PolarHBondContact O-N 3.34Å; N315-N318 PolarHBondContact O-N 3.15Å; E316-N318 VanDerWaalsContact C-N 3.32Å; E316-N318 PolarHBondContact O-N 3.21Å; N318-I321 WeakPolarHBondContact O-CG2 3.24Å; N318-T322 VanDerWaalsContact O-CB 3.32Å; N318-T322 WeakPolarHBondContact O-CB 3.45Å; N318-T322 PolarHBondContact O-N 3.48Å; N318-T322 VanDerWaalsContact O-N 3.16Å; N318-T322 PolarHBondContact O-OG1 3.47Å
319	S	88	Confident	84	Confident	67 Å²	67	43.6 Å²	43.6	47%	0.469	24%	0.243	S	C	.	.	H	α-helix	trans	-63.7	-51.3	171.5	-168.8	0	0	0	0	110.1	N315 E316 I321 T322 D323	N315-S319 PolarHBondContact O-N 2.88Å; E316-S319 PolarHBondContact O-N 3.49Å; S319-I321 PolarHBondContact O-N 2.83Å; S319-T322 WeakPolarHBondContact O-CB 3.29Å; S319-T322 PolarHBondContact O-N 3.43Å; S319-T322 VanDerWaalsContact O-N 3.07Å; S319-D323 PolarHBondContact O-N 3.26Å
320	T	88.9	Confident	84.6	Confident	36 Å²	36	42.4 Å²	42.4	22%	0.221	23%	0.234	C	C	.	.	H	α-helix	trans	-59.7	-44.2	-176.5	-56.4	0	0	0	0	112.1	L237 E316 L317 T322 D323 I324	L237-T320 HydrophobicContact CD1-CG2 4.46Å; E316-T320 WeakPolarHBondContact O-CB 3.33Å; E316-T320 PolarHBondContact O-N 3.25Å; E316-T320 PolarHBondContact O-OG1 2.67Å; L317-T320 PolarHBondContact O-N 3.44Å; T320-T322 VanDerWaalsContact C-N 3.33Å; T320-D323 PolarHBondContact O-N 2.9Å; T320-I324 HydrophobicContact CG2-CD1 4.11Å; T320-I324 VanDerWaalsContact O-CG1 3.29Å; T320-I324 WeakPolarHBondContact O-CG1 3.45Å; T320-I324 PolarHBondContact O-N 2.98Å
321	I	88	Confident	85.2	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-69.8	-32.7	178.4	-159	169.8	0	0	0	112	L237 I287 N290 R291 I294 L317 N318 S319 I324 I325	L237-I321 HydrophobicContact CD1-CB 4.34Å; L237-I321 HydrophobicContact CD2-CB 4.14Å; L237-I321 HydrophobicContact CD2-CD1 3.91Å; L237-I321 HydrophobicContact CD2-CG1 3.9Å; I287-I321 HydrophobicContact CG2-CG1 4.07Å; N290-I321 HydrophobicContact CB-CD1 3.91Å; R291-I321 VanDerWaalsContact CA-CD1 3.44Å; R291-I321 HydrophobicContact CB-CD1 3.63Å; R291-I321 HydrophobicContact CB-CG1 4.41Å; R291-I321 HydrophobicContact CG-CD1 4.48Å; R291-I321 HydrophobicContact CG-CG2 4.46Å; I294-I321 HydrophobicContact CD1-CD1 3.91Å; I294-I321 HydrophobicContact CD1-CG2 4.44Å; L317-I321 WeakPolarHBondContact O-CB 3.46Å; L317-I321 WeakPolarHBondContact O-CG2 3.46Å; L317-I321 PolarHBondContact O-N 2.99Å; N318-I321 WeakPolarHBondContact O-CG2 3.24Å; S319-I321 PolarHBondContact O-N 2.83Å; I321-I324 PolarHBondContact O-N 3.44Å; I321-I325 HydrophobicContact CG1-CD1 4.48Å; I321-I325 VanDerWaalsContact O-CG1 3.24Å; I321-I325 WeakPolarHBondContact O-CG1 3.45Å; I321-I325 PolarHBondContact O-N 3.37Å
322	T	87.1	Confident	85.7	Confident	38 Å²	38	40 Å²	40	23%	0.233	23%	0.227	C	C	.	.	H	α-helix	trans	-68	-39.5	175.5	-55.5	0	0	0	0	110.8	R291 N318 S319 T320 I325 S326 L456	R291-T322 PolarHBondContact NH1-OG1 3.26Å; N318-T322 VanDerWaalsContact O-CB 3.32Å; N318-T322 WeakPolarHBondContact O-CB 3.45Å; N318-T322 PolarHBondContact O-N 3.48Å; N318-T322 VanDerWaalsContact O-N 3.16Å; N318-T322 PolarHBondContact O-OG1 3.47Å; S319-T322 WeakPolarHBondContact O-CB 3.29Å; S319-T322 PolarHBondContact O-N 3.43Å; S319-T322 VanDerWaalsContact O-N 3.07Å; T320-T322 VanDerWaalsContact C-N 3.33Å; T322-I325 PolarHBondContact O-N 3.07Å; T322-S326 WeakPolarHBondContact O-CB 3.48Å; T322-S326 PolarHBondContact O-N 3.44Å; T322-L456 HydrophobicContact CG2-CD2 3.97Å
323	D	88.6	Confident	86.2	Confident	84 Å²	84	32.9 Å²	32.9	45%	0.449	19%	0.194	S	C	.	.	H	α-helix	trans	-63.6	-44.1	174.2	-68	-26.8	0	0	0	111.8	S319 T320 I325 S326 A327	S319-D323 PolarHBondContact O-N 3.26Å; T320-D323 PolarHBondContact O-N 2.9Å; D323-I325 VanDerWaalsContact C-N 3.35Å; D323-I325 PolarHBondContact O-N 3.37Å; D323-S326 PolarHBondContact O-N 3.19Å; D323-A327 WeakPolarHBondContact O-CB 3.46Å; D323-A327 PolarHBondContact O-N 3.22Å
324	I	87.6	Confident	86.6	Confident	2 Å²	2	31.3 Å²	31.3	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-59	-45.9	175.1	-71.7	167.4	0	0	0	110.4	L237 R241 Q244 I287 T320 I321 A327 L328	L237-I324 HydrophobicContact CD2-CD1 4.35Å; R241-I324 HydrophobicContact CB-CD1 4.18Å; Q244-I324 PolarHBondContact NE2-O 3.43Å; I287-I324 HydrophobicContact CD1-CG2 3.7Å; I287-I324 HydrophobicContact CG1-CG2 3.98Å; I287-I324 HydrophobicContact CG2-CG2 4.18Å; T320-I324 HydrophobicContact CG2-CD1 4.11Å; T320-I324 VanDerWaalsContact O-CG1 3.29Å; T320-I324 WeakPolarHBondContact O-CG1 3.45Å; T320-I324 PolarHBondContact O-N 2.98Å; I321-I324 PolarHBondContact O-N 3.44Å; I324-A327 PolarHBondContact O-N 3.45Å; I324-L328 WeakPolarHBondContact O-CB 3.41Å; I324-L328 PolarHBondContact O-N 3.42Å
325	I	86.6	Confident	87.1	Confident	4 Å²	4	31.1 Å²	31.1	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-63.5	-44.5	176.9	-67.2	166.4	0	0	0	110.6	I287 W288 I321 T322 D323 A327 L328 V329 F458	I287-I325 HydrophobicContact CG2-CD1 3.93Å; I287-I325 HydrophobicContact CG2-CG1 3.32Å; W288-I325 HydrophobicContact CE3-CD1 4.18Å; W288-I325 HydrophobicContact CZ3-CD1 4.22Å; I321-I325 HydrophobicContact CG1-CD1 4.48Å; I321-I325 VanDerWaalsContact O-CG1 3.24Å; I321-I325 WeakPolarHBondContact O-CG1 3.45Å; I321-I325 PolarHBondContact O-N 3.37Å; T322-I325 PolarHBondContact O-N 3.07Å; D323-I325 VanDerWaalsContact C-N 3.35Å; D323-I325 PolarHBondContact O-N 3.37Å; I325-A327 PolarHBondContact O-N 3.16Å; I325-L328 PolarHBondContact O-N 3.39Å; I325-V329 HydrophobicContact CG2-CG2 3.97Å; I325-V329 WeakPolarHBondContact O-CB 3.39Å; I325-V329 VanDerWaalsContact O-CG2 3.29Å; I325-V329 WeakPolarHBondContact O-CG2 3.3Å; I325-V329 PolarHBondContact O-N 2.99Å; I325-F458 HydrophobicContact CG2-CE1 4.44Å; I325-F458 HydrophobicContact CG2-CE2 4.09Å; I325-F458 HydrophobicContact CG2-CZ 3.59Å
326	S	86	Confident	87.2	Confident	46 Å²	46	29.1 Å²	29.1	32%	0.322	17%	0.172	S	C	.	.	H	α-helix	trans	-59.2	-47.5	179.2	-171.9	0	0	0	0	111.5	T322 D323 L328 V329 T330	T322-S326 WeakPolarHBondContact O-CB 3.48Å; T322-S326 PolarHBondContact O-N 3.44Å; D323-S326 PolarHBondContact O-N 3.19Å; S326-L328 VanDerWaalsContact C-N 3.34Å; S326-L328 PolarHBondContact O-N 2.83Å; S326-V329 PolarHBondContact O-N 3.41Å; S326-T330 WeakPolarHBondContact O-CB 3.03Å; S326-T330 VanDerWaalsContact O-CG2 3.3Å; S326-T330 WeakPolarHBondContact O-CG2 3.43Å; S326-T330 PolarHBondContact O-N 3.1Å; S326-T330 PolarHBondContact O-OG1 3.47Å
327	A	86.1	Confident	87.2	Confident	38 Å²	38	29.9 Å²	29.9	31%	0.314	17%	0.174	S	C	.	.	H	α-helix	trans	-62.1	-40.4	176.3	0	0	0	0	0	112.1	D323 I324 I325 T330 S331	D323-A327 WeakPolarHBondContact O-CB 3.46Å; D323-A327 PolarHBondContact O-N 3.22Å; I324-A327 PolarHBondContact O-N 3.45Å; I325-A327 PolarHBondContact O-N 3.16Å; A327-T330 PolarHBondContact O-OG1 3.19Å; A327-S331 WeakPolarHBondContact O-CB 3.48Å; A327-S331 PolarHBondContact O-N 3.34Å; A327-S331 VanDerWaalsContact O-N 3.08Å; A327-S331 PolarHBondContact O-OG 3.03Å
328	L	86.5	Confident	87.3	Confident	3 Å²	3	31.5 Å²	31.5	2%	0.016	18%	0.181	C	C	.	.	H	α-helix	trans	-64.9	-52.7	177.3	-173.6	68.1	0	0	0	111.2	L248 A284 I287 I324 I325 S326 T330 S331 T332 V357	L248-L328 HydrophobicContact CD1-CD1 4.48Å; L248-L328 HydrophobicContact CD2-CD1 4.28Å; A284-L328 HydrophobicContact CB-CD2 3.93Å; I287-L328 HydrophobicContact CD1-CD2 3.72Å; I324-L328 WeakPolarHBondContact O-CB 3.41Å; I324-L328 PolarHBondContact O-N 3.42Å; I325-L328 PolarHBondContact O-N 3.39Å; S326-L328 VanDerWaalsContact C-N 3.34Å; S326-L328 PolarHBondContact O-N 2.83Å; L328-T330 PolarHBondContact O-N 3.49Å; L328-S331 PolarHBondContact O-N 3.45Å; L328-T332 HydrophobicContact CD1-CG2 3.83Å; L328-T332 HydrophobicContact CG-CG2 4.2Å; L328-T332 VanDerWaalsContact O-CB 3.26Å; L328-T332 WeakPolarHBondContact O-CB 3.36Å; L328-T332 WeakPolarHBondContact O-CG2 3.4Å; L328-T332 PolarHBondContact O-N 3.45Å; L328-T332 PolarHBondContact O-OG1 3.48Å; L328-V357 HydrophobicContact CD2-CG1 4.04Å; L328-V357 HydrophobicContact CG-CG1 4.06Å
329	V	85.9	Confident	87.4	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.4	-42.5	-175.8	171.2	0	0	0	0	111.2	I325 S326 T332 V357 L361 F449 F458 V460	I325-V329 HydrophobicContact CG2-CG2 3.97Å; I325-V329 WeakPolarHBondContact O-CB 3.39Å; I325-V329 VanDerWaalsContact O-CG2 3.29Å; I325-V329 WeakPolarHBondContact O-CG2 3.3Å; I325-V329 PolarHBondContact O-N 2.99Å; S326-V329 PolarHBondContact O-N 3.41Å; V329-T332 PolarHBondContact O-OG1 2.89Å; V329-V357 HydrophobicContact CG2-CG2 4.37Å; V329-L361 HydrophobicContact CG2-CD1 3.9Å; V329-F449 HydrophobicContact CG1-CE1 4.47Å; V329-F449 HydrophobicContact CG1-CE2 4.05Å; V329-F449 HydrophobicContact CG1-CZ 3.52Å; V329-F458 HydrophobicContact CG1-CB 4.09Å; V329-F458 HydrophobicContact CG1-CD1 4.45Å; V329-F458 HydrophobicContact CG1-CD2 4.29Å; V329-F458 HydrophobicContact CG1-CG 4.02Å; V329-F458 HydrophobicContact CG2-CE2 4.49Å; V329-V460 HydrophobicContact CG1-CG1 3.72Å
330	T	85.1	Confident	87.3	Confident	55 Å²	55	30.4 Å²	30.4	34%	0.337	17%	0.174	S	C	.	.	H	α-helix	trans	-68.1	-39.6	178.2	52	0	0	0	0	112.5	S326 A327 L328	S326-T330 WeakPolarHBondContact O-CB 3.03Å; S326-T330 VanDerWaalsContact O-CG2 3.3Å; S326-T330 WeakPolarHBondContact O-CG2 3.43Å; S326-T330 PolarHBondContact O-N 3.1Å; S326-T330 PolarHBondContact O-OG1 3.47Å; A327-T330 PolarHBondContact O-OG1 3.19Å; L328-T330 PolarHBondContact O-N 3.49Å
331	S	84	Confident	87.2	Confident	39 Å²	39	29.8 Å²	29.8	27%	0.273	17%	0.168	S	C	.	.	H	α-helix	trans	-77.8	-30.4	-177.7	-56.9	0	0	0	0	113.5	L252 A327 L328 F333 I334	L252-S331 WeakPolarHBondContact CD2-O 3.34Å; A327-S331 WeakPolarHBondContact O-CB 3.48Å; A327-S331 PolarHBondContact O-N 3.34Å; A327-S331 VanDerWaalsContact O-N 3.08Å; A327-S331 PolarHBondContact O-OG 3.03Å; L328-S331 PolarHBondContact O-N 3.45Å; S331-F333 VanDerWaalsContact C-N 3.29Å; S331-F333 PolarHBondContact O-N 3.41Å; S331-I334 WeakPolarHBondContact O-CG2 3.39Å
332	T	85.4	Confident	87.2	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-2.6	-179	55.4	0	0	0	0	114	L248 C280 L328 V329 I334 L356 V357	L248-T332 HydrophobicContact CD2-CG2 4.3Å; C280-T332 HydrophobicContact CB-CG2 4.43Å; L328-T332 HydrophobicContact CD1-CG2 3.83Å; L328-T332 HydrophobicContact CG-CG2 4.2Å; L328-T332 VanDerWaalsContact O-CB 3.26Å; L328-T332 WeakPolarHBondContact O-CB 3.36Å; L328-T332 WeakPolarHBondContact O-CG2 3.4Å; L328-T332 PolarHBondContact O-N 3.45Å; L328-T332 PolarHBondContact O-OG1 3.48Å; V329-T332 PolarHBondContact O-OG1 2.89Å; T332-I334 PolarHBondContact O-N 3.43Å; T332-L356 HydrophobicContact CG2-CB 4.41Å; T332-L356 PolarHBondContact O-N 2.86Å; T332-V357 HydrophobicContact CG2-CG1 3.91Å; T332-V357 WeakPolarHBondContact OG1-CG2 3.31Å
333	F	88.9	Confident	87.2	Confident	1 Å²	1	29.7 Å²	29.7	0%	0.004	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	97.7	167.8	-173.2	-116.7	0	0	0	109.7	S331 V353 L355 V370 F445 V460 T462	S331-F333 VanDerWaalsContact C-N 3.29Å; S331-F333 PolarHBondContact O-N 3.41Å; F333-V353 HydrophobicContact CD2-CG1 4Å; F333-V353 HydrophobicContact CE1-CG1 4.09Å; F333-V353 HydrophobicContact CE2-CG1 3.38Å; F333-V353 HydrophobicContact CZ-CG1 3.44Å; F333-V353 VanDerWaalsContact CZ-CG1 3.44Å; F333-L355 HydrophobicContact CB-CD1 4.11Å; F333-L355 HydrophobicContact CD2-CB 4.48Å; F333-L355 HydrophobicContact CD2-CD1 4.31Å; F333-V370 HydrophobicContact CE2-CG2 4.46Å; F333-V370 HydrophobicContact CZ-CG1 4.03Å; F333-V370 HydrophobicContact CZ-CG2 4.42Å; F333-F445 HydrophobicContact CE1-CB 4.2Å; F333-F445 HydrophobicContact CZ-CB 4.38Å; F333-V460 HydrophobicContact CB-CB 4.01Å; F333-V460 HydrophobicContact CB-CG1 4.41Å; F333-V460 HydrophobicContact CB-CG2 4.21Å; F333-V460 HydrophobicContact CD1-CB 3.85Å; F333-V460 HydrophobicContact CD1-CG2 3.67Å; F333-V460 HydrophobicContact CD2-CG2 3.86Å; F333-V460 HydrophobicContact CE1-CB 4.44Å; F333-V460 HydrophobicContact CE1-CG2 3.88Å; F333-V460 HydrophobicContact CE2-CG2 4.06Å; F333-V460 HydrophobicContact CG-CB 3.91Å; F333-V460 HydrophobicContact CG-CG2 3.65Å; F333-V460 HydrophobicContact CZ-CG2 4.06Å; F333-T462 HydrophobicContact CD1-CG2 3.54Å; F333-T462 HydrophobicContact CE1-CG2 3.5Å; F333-T462 VanDerWaalsContact CE1-CG2 3.5Å; F333-T462 HydrophobicContact CG-CG2 4.48Å; F333-T462 HydrophobicContact CZ-CG2 4.41Å; F333-T462 WeakPolarHBondContact O-CB 3.41Å; F333-T462 PolarHBondContact O-OG1 2.88Å; F333-T462 VanDerWaalsContact O-OG1 3.12Å
334	I	89.9	Confident	87.1	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	161.8	-169.8	62.7	163.2	0	0	0	112.3	L252 W255 L272 S331 T332 V353 R354 L356	L252-I334 HydrophobicContact CD1-CG2 4.22Å; W255-I334 HydrophobicContact CE3-CD1 4.41Å; W255-I334 HydrophobicContact CH2-CD1 4.05Å; W255-I334 HydrophobicContact CZ3-CD1 3.78Å; L272-I334 HydrophobicContact CD2-CD1 3.6Å; S331-I334 WeakPolarHBondContact O-CG2 3.39Å; T332-I334 PolarHBondContact O-N 3.43Å; I334-V353 WeakPolarHBondContact O-CA 3.48Å; I334-V353 WeakPolarHBondContact O-CG1 3.08Å; I334-R354 PolarHBondContact N-O 2.79Å; I334-R354 PolarHBondContact O-N 3.13Å; I334-R354 VanDerWaalsContact O-O 3.13Å; I334-L356 HydrophobicContact CD1-CD1 3.88Å; I334-L356 HydrophobicContact CD1-CD2 4.08Å; I334-L356 HydrophobicContact CD1-CG 4.11Å; I334-L356 HydrophobicContact CG1-CD1 4.36Å; I334-L356 HydrophobicContact CG1-CD2 4.47Å; I334-L356 HydrophobicContact CG1-CG 4.24Å
335	I	90.5	Very high	87	Confident	4 Å²	4	31.5 Å²	31.5	2%	0.021	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	110.9	175.8	-58.2	166.3	0	0	0	107.3	Q259 K337 Q338 T352 V353 F445 T462	Q259-I335 PolarHBondContact NE2-O 2.94Å; Q259-I335 VanDerWaalsContact NE2-O 3.08Å; Q259-I335 PolarHBondContact OE1-O 3.49Å; I335-K337 WeakPolarHBondContact CG2-O 3.4Å; I335-Q338 HydrophobicContact CG2-CG 4.23Å; I335-T352 CarbonylContact C-O 3.53Å; I335-V353 HydrophobicContact CG1-CG2 4.38Å; I335-F445 HydrophobicContact CD1-CD2 3.8Å; I335-F445 HydrophobicContact CD1-CE2 3.84Å; I335-F445 HydrophobicContact CG1-CD2 4.14Å; I335-F445 HydrophobicContact CG1-CE2 4.28Å; I335-T462 HydrophobicContact CD1-CG2 4.12Å; I335-T462 HydrophobicContact CG1-CG2 3.79Å
336	E	86.7	Confident	86.8	Confident	55 Å²	55	38.8 Å²	38.8	26%	0.257	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	-48.6	178.5	172.1	169.9	-144.6	0	0	110.5	Q259 L272 T352 R354	Q259-E336 PolarHBondContact NE2-O 3Å; L272-E336 HydrophobicContact CD1-CB 4.19Å; L272-E336 HydrophobicContact CD1-CG 3.78Å; E336-T352 HydrophobicContact CB-CG2 4.35Å; E336-T352 PolarHBondContact N-O 3.33Å; E336-R354 HydrophobicContact CB-CB 4.13Å; E336-R354 IonicContact OE1-CZ 3.3Å; E336-R354 IonicContact OE1-NH1 2.75Å; E336-R354 PolarHBondContact OE1-NH1 3.34Å; E336-R354 VanDerWaalsContact OE2-CD 3.32Å; E336-R354 WeakPolarHBondContact OE2-CD 3.4Å
337	K	88.4	Confident	86.8	Confident	126 Å²	126	39.7 Å²	39.7	55%	0.548	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	107.2	174.6	-173.4	175.9	-177.9	173.3	0	109	I335 A351 T352	I335-K337 WeakPolarHBondContact CG2-O 3.4Å; K337-A351 WeakPolarHBondContact O-CA 3.45Å; K337-T352 PolarHBondContact N-O 2.85Å; K337-T352 VanDerWaalsContact N-O 3.12Å; K337-T352 PolarHBondContact O-N 3.15Å
338	Q	88.6	Confident	86.9	Confident	39 Å²	39	45.1 Å²	45.1	18%	0.182	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-62.6	145.2	178.3	-68.8	-72.3	-5.1	0	0	111	Q259 I335 L465	Q259-Q338 HydrophobicContact CG-CG 4.11Å; I335-Q338 HydrophobicContact CG2-CG 4.23Å; Q338-L465 HydrophobicContact CG-CD1 4.08Å; Q338-L465 HydrophobicContact CG-CG 4.35Å
339	P	88.6	Confident	87.1	Confident	4 Å²	4	45.6 Å²	45.6	3%	0.026	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-62.8	153.6	167.9	28.5	-32.9	0	0	0	109.8	Q341 F349 A351 I443 V467	P339-Q341 PolarHBondContact O-N 3.48Å; P339-F349 HydrophobicContact CB-CD2 4.13Å; P339-F349 HydrophobicContact CB-CE2 4.29Å; P339-A351 HydrophobicContact CB-CB 4.26Å; P339-I443 HydrophobicContact CB-CD1 3.95Å; P339-I443 HydrophobicContact CG-CD1 3.93Å; P339-V467 HydrophobicContact CG-CG2 4.39Å
340	P	86.1	Confident	87.3	Confident	63 Å²	63	47 Å²	47	41%	0.409	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-54	126.9	172	-21.4	30.9	0	0	0	110.2	V342 L343 F349	P340-V342 PolarHBondContact O-N 3.47Å; P340-L343 HydrophobicContact CB-CD2 4.06Å; P340-L343 HydrophobicContact CG-CD2 4.25Å; P340-L343 WeakPolarHBondContact O-CD2 3.21Å; P340-L343 WeakPolarHBondContact O-CG 3.26Å; P340-F349 HydrophobicContact CG-CB 4.09Å
341	Q	87.6	Confident	87.7	Confident	23 Å²	23	44.4 Å²	44.4	11%	0.107	23%	0.225	C	C	.	.	S	Bend	trans	-73.9	-14	-175.9	-66.7	-176.1	-87.2	0	0	113.3	P339 L465 P466 V467 V468 V483 N487	P339-Q341 PolarHBondContact O-N 3.48Å; Q341-L465 HydrophobicContact CG-CB 4.49Å; Q341-P466 PolarHBondContact NE2-O 2.87Å; Q341-V467 CarbonylContact O-C 3.37Å; Q341-V467 VanDerWaalsContact O-CA 3.25Å; Q341-V467 WeakPolarHBondContact O-CA 3.27Å; Q341-V468 PolarHBondContact O-N 3.31Å; Q341-V483 HydrophobicContact CB-CB 4.38Å; Q341-V483 HydrophobicContact CB-CG1 3.56Å; Q341-V483 HydrophobicContact CB-CG2 3.85Å; Q341-V483 HydrophobicContact CG-CG1 4.2Å; Q341-N487 PolarHBondContact NE2-ND2 2.84Å; Q341-N487 PolarHBondContact NE2-OD1 3.5Å; Q341-N487 PolarHBondContact OE1-ND2 3.36Å
342	V	87.6	Confident	88	Confident	29 Å²	29	43.4 Å²	43.4	18%	0.176	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	111	164.9	-174.7	0	0	0	0	107.7	P340 V468 I470 D476 A479 V483	P340-V342 PolarHBondContact O-N 3.47Å; V342-V468 WeakPolarHBondContact CA-O 3.5Å; V342-I470 HydrophobicContact CG1-CD1 3.7Å; V342-I470 HydrophobicContact CG1-CG1 4.01Å; V342-I470 HydrophobicContact CG1-CG2 4.14Å; V342-D476 WeakPolarHBondContact CG1-OD1 3.35Å; V342-A479 HydrophobicContact CG1-CB 3.85Å; V342-A479 HydrophobicContact CG2-CB 4.06Å; V342-V483 HydrophobicContact CG2-CG2 4.02Å
343	L	86.6	Confident	88.2	Confident	7 Å²	7	43.4 Å²	43.4	4%	0.037	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	122	179.7	-72.3	-178.3	0	0	0	110.4	P340 F349 I443 V467 V468 V469 I470	P340-L343 HydrophobicContact CB-CD2 4.06Å; P340-L343 HydrophobicContact CG-CD2 4.25Å; P340-L343 WeakPolarHBondContact O-CD2 3.21Å; P340-L343 WeakPolarHBondContact O-CG 3.26Å; L343-F349 HydrophobicContact CD1-CD1 4.43Å; L343-F349 HydrophobicContact CD1-CE1 4.18Å; L343-F349 HydrophobicContact CD1-CE2 4.32Å; L343-F349 HydrophobicContact CD1-CZ 4.12Å; L343-F349 HydrophobicContact CD2-CB 3.81Å; L343-F349 HydrophobicContact CD2-CD1 3.83Å; L343-F349 HydrophobicContact CD2-CD2 4.03Å; L343-F349 HydrophobicContact CD2-CE1 4.39Å; L343-F349 HydrophobicContact CD2-CG 3.63Å; L343-I443 HydrophobicContact CD1-CD1 4.12Å; L343-V467 HydrophobicContact CB-CG1 3.96Å; L343-V467 HydrophobicContact CD1-CG1 3.55Å; L343-V467 HydrophobicContact CG-CG1 3.47Å; L343-V467 VanDerWaalsContact CG-CG1 3.47Å; L343-V468 PolarHBondContact N-O 3.23Å; L343-V469 HydrophobicContact CB-CG2 4.4Å; L343-V469 CarbonylContact O-C 3.6Å; L343-V469 WeakPolarHBondContact O-CA 3.31Å; L343-I470 PolarHBondContact O-N 3.27Å
344	K	86.3	Confident	88.2	Confident	101 Å²	101	43.7 Å²	43.7	44%	0.439	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	131.6	167.6	-174.3	-177.9	175.6	-174.2	0	110.3	T347 I470	K344-T347 WeakPolarHBondContact CB-OG1 3.47Å; K344-T347 VanDerWaalsContact O-CB 3.28Å; K344-T347 WeakPolarHBondContact O-CB 3.4Å; K344-T347 PolarHBondContact O-N 3.47Å; K344-T347 PolarHBondContact O-OG1 2.92Å; K344-I470 WeakPolarHBondContact CA-O 3.39Å; K344-I470 HydrophobicContact CB-CD1 4.4Å; K344-I470 HydrophobicContact CB-CG1 4.02Å; K344-I470 HydrophobicContact CG-CG1 4.43Å
345	T	85.1	Confident	88.1	Confident	23 Å²	23	43.6 Å²	43.6	14%	0.141	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	145.1	174.4	54.5	0	0	0	0	111.5	T347 V469 I470 V471	T345-T347 PolarHBondContact O-N 2.88Å; T345-T347 VanDerWaalsContact O-N 3.11Å; T345-V469 HydrophobicContact CG2-CG1 3.91Å; T345-I470 PolarHBondContact N-O 2.62Å; T345-V471 HydrophobicContact CG2-CG2 4.38Å
346	Q	82.5	Confident	87.7	Confident	157 Å²	157	43.4 Å²	43.4	73%	0.734	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.6	7.6	-178.5	-51.5	175.2	7	0	0	115.2	L422	Q346-L422 PolarHBondContact N-O 3.22Å
347	T	86.7	Confident	87.3	Confident	65 Å²	65	40.8 Å²	40.8	40%	0.399	21%	0.205	S	C	.	.			trans	-95.6	139.1	175.5	-51.2	0	0	0	0	109.5	K344 T345	K344-T347 WeakPolarHBondContact CB-OG1 3.47Å; K344-T347 VanDerWaalsContact O-CB 3.28Å; K344-T347 WeakPolarHBondContact O-CB 3.4Å; K344-T347 PolarHBondContact O-N 3.47Å; K344-T347 PolarHBondContact O-OG1 2.92Å; T345-T347 PolarHBondContact O-N 2.88Å; T345-T347 VanDerWaalsContact O-N 3.11Å
348	K	88.9	Confident	86.1	Confident	153 Å²	153	34.8 Å²	34.8	67%	0.665	18%	0.179	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	137.5	175.5	-65.6	-178.9	-178.2	178.5	0	109.6	M420	K348-M420 CarbonylContact C-O 3.37Å; K348-M420 VanDerWaalsContact CA-O 3.29Å; K348-M420 WeakPolarHBondContact CA-O 3.39Å
349	F	90.3	Very high	85.1	Confident	12 Å²	12	33.3 Å²	33.3	5%	0.053	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	161.5	174.1	68.3	-85.8	0	0	0	110.8	P339 P340 L343 I397 M420 L422 I443	P339-F349 HydrophobicContact CB-CD2 4.13Å; P339-F349 HydrophobicContact CB-CE2 4.29Å; P340-F349 HydrophobicContact CG-CB 4.09Å; L343-F349 HydrophobicContact CD1-CD1 4.43Å; L343-F349 HydrophobicContact CD1-CE1 4.18Å; L343-F349 HydrophobicContact CD1-CE2 4.32Å; L343-F349 HydrophobicContact CD1-CZ 4.12Å; L343-F349 HydrophobicContact CD2-CB 3.81Å; L343-F349 HydrophobicContact CD2-CD1 3.83Å; L343-F349 HydrophobicContact CD2-CD2 4.03Å; L343-F349 HydrophobicContact CD2-CE1 4.39Å; L343-F349 HydrophobicContact CD2-CG 3.63Å; F349-I397 HydrophobicContact CZ-CG2 4.41Å; F349-M420 HydrophobicContact CD1-CB 4.19Å; F349-M420 VanDerWaalsContact CD1-O 3.3Å; F349-M420 WeakPolarHBondContact CD1-O 3.43Å; F349-M420 HydrophobicContact CD2-CB 4.14Å; F349-M420 HydrophobicContact CD2-CE 3.99Å; F349-M420 HydrophobicContact CE1-CB 3.8Å; F349-M420 HydrophobicContact CE2-CB 3.74Å; F349-M420 HydrophobicContact CE2-CE 3.46Å; F349-M420 VanDerWaalsContact CE2-CE 3.46Å; F349-M420 HydrophobicContact CE2-SD 4.11Å; F349-M420 HydrophobicContact CG-CB 4.35Å; F349-M420 HydrophobicContact CZ-CB 3.55Å; F349-M420 HydrophobicContact CZ-CE 4.25Å; F349-M420 HydrophobicContact CZ-SD 4.32Å; F349-M420 PolarHBondContact N-O 3.35Å; F349-M420 PolarHBondContact O-N 3.46Å; F349-L422 HydrophobicContact CE1-CB 4.44Å; F349-I443 HydrophobicContact CE2-CD1 3.65Å; F349-I443 HydrophobicContact CZ-CD1 3.96Å
350	A	90.6	Very high	84.2	Confident	31 Å²	31	38 Å²	38	26%	0.256	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	151.5	-177.6	0	0	0	0	0	111.5	F417	A350-F417 CarbonylContact C-O 3.59Å; A350-F417 WeakPolarHBondContact CA-O 3.39Å; A350-F417 WeakPolarHBondContact CB-O 3.47Å
351	A	92.1	Very high	83.2	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	151.4	170.2	0	0	0	0	0	109.4	K337 P339 F417 M420 F445	K337-A351 WeakPolarHBondContact O-CA 3.45Å; P339-A351 HydrophobicContact CB-CB 4.26Å; A351-F417 PolarHBondContact N-O 2.76Å; A351-F417 WeakPolarHBondContact O-CA 3.32Å; A351-F417 VanDerWaalsContact O-CB 3.32Å; A351-F417 WeakPolarHBondContact O-CB 3.34Å; A351-F417 PolarHBondContact O-N 2.94Å; A351-M420 HydrophobicContact CB-CE 3.73Å; A351-F445 HydrophobicContact CB-CZ 3.85Å
352	T	90.1	Very high	82.3	Confident	17 Å²	17	39.1 Å²	39.1	10%	0.104	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	127.9	176.4	-54.7	0	0	0	0	109.1	I335 E336 K337 A415 H416	I335-T352 CarbonylContact C-O 3.53Å; E336-T352 HydrophobicContact CB-CG2 4.35Å; E336-T352 PolarHBondContact N-O 3.33Å; K337-T352 PolarHBondContact N-O 2.85Å; K337-T352 VanDerWaalsContact N-O 3.12Å; K337-T352 PolarHBondContact O-N 3.15Å; T352-A415 WeakPolarHBondContact CA-O 3.34Å; T352-H416 VanDerWaalsContact CG2-CD2 3.49Å; T352-H416 WeakPolarHBondContact CG2-CD2 3.25Å
353	V	90.9	Very high	81.2	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135.9	176.1	-173.9	0	0	0	0	108.3	F333 I334 I335 S414 A415 F417 F445 T462	F333-V353 HydrophobicContact CD2-CG1 4Å; F333-V353 HydrophobicContact CE1-CG1 4.09Å; F333-V353 HydrophobicContact CE2-CG1 3.38Å; F333-V353 HydrophobicContact CZ-CG1 3.44Å; F333-V353 VanDerWaalsContact CZ-CG1 3.44Å; I334-V353 WeakPolarHBondContact O-CA 3.48Å; I334-V353 WeakPolarHBondContact O-CG1 3.08Å; I335-V353 HydrophobicContact CG1-CG2 4.38Å; V353-S414 CarbonylContact O-C 3.47Å; V353-S414 VanDerWaalsContact O-CA 3.23Å; V353-S414 WeakPolarHBondContact O-CA 3.47Å; V353-A415 PolarHBondContact N-O 2.84Å; V353-A415 PolarHBondContact O-N 2.79Å; V353-F417 HydrophobicContact CG2-CE2 4.19Å; V353-F445 HydrophobicContact CG2-CB 4.24Å; V353-F445 HydrophobicContact CG2-CD1 3.53Å; V353-F445 HydrophobicContact CG2-CD2 4.07Å; V353-F445 HydrophobicContact CG2-CE1 3.77Å; V353-F445 HydrophobicContact CG2-CE2 4.29Å; V353-F445 HydrophobicContact CG2-CG 3.68Å; V353-F445 HydrophobicContact CG2-CZ 4.14Å; V353-T462 HydrophobicContact CG1-CG2 4.41Å
354	R	89	Confident	80	Confident	7 Å²	7	39.9 Å²	39.9	3%	0.026	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	140.1	-176.2	-176.7	166.2	169.1	179.3	-7.6	110	D273 I334 E336 L356 L413 S414	D273-R354 IonicContact OD1-CZ 3.31Å; D273-R354 IonicContact OD1-NH1 3.39Å; D273-R354 PolarHBondContact OD1-NH1 2.8Å; D273-R354 IonicContact OD1-NH2 3.11Å; D273-R354 PolarHBondContact OD1-NH2 3.27Å; I334-R354 PolarHBondContact N-O 2.79Å; I334-R354 PolarHBondContact O-N 3.13Å; I334-R354 VanDerWaalsContact O-O 3.13Å; E336-R354 HydrophobicContact CB-CB 4.13Å; E336-R354 IonicContact OE1-CZ 3.3Å; E336-R354 IonicContact OE1-NH1 2.75Å; E336-R354 PolarHBondContact OE1-NH1 3.34Å; E336-R354 VanDerWaalsContact OE2-CD 3.32Å; E336-R354 WeakPolarHBondContact OE2-CD 3.4Å; R354-L356 HydrophobicContact CG-CD2 4.28Å; R354-L413 WeakPolarHBondContact CA-O 3.48Å; R354-S414 WeakPolarHBondContact CG-OG 3.48Å
355	L	87.1	Confident	79.1	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	107.7	171.2	-178.6	66.8	0	0	0	108.9	F333 V357 G358 V363 M404 L413 F449	F333-L355 HydrophobicContact CB-CD1 4.11Å; F333-L355 HydrophobicContact CD2-CB 4.48Å; F333-L355 HydrophobicContact CD2-CD1 4.31Å; L355-V357 HydrophobicContact CD1-CG2 3.82Å; L355-V357 HydrophobicContact CD2-CG2 4.35Å; L355-V357 HydrophobicContact CG-CG2 3.93Å; L355-V357 PolarHBondContact O-N 3.26Å; L355-G358 PolarHBondContact O-N 2.79Å; L355-V363 HydrophobicContact CD2-CG1 4.39Å; L355-V363 HydrophobicContact CD2-CG2 4.49Å; L355-M404 HydrophobicContact CB-CE 3.76Å; L355-L413 HydrophobicContact CB-CD2 4.36Å; L355-L413 HydrophobicContact CD2-CD2 4.09Å; L355-L413 PolarHBondContact N-O 3.11Å; L355-F449 HydrophobicContact CD1-CZ 4.42Å; L355-F449 HydrophobicContact CD2-CE1 4Å; L355-F449 HydrophobicContact CD2-CE2 4.22Å; L355-F449 HydrophobicContact CD2-CZ 3.58Å
356	L	81.1	Confident	78.5	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-21.3	-173.7	-55.4	174.2	0	0	0	113.5	L272 Q276 C280 T332 I334 R354	L272-L356 HydrophobicContact CD2-CD2 4.43Å; Q276-L356 HydrophobicContact CB-CD2 4.06Å; Q276-L356 HydrophobicContact CG-CB 4.35Å; Q276-L356 HydrophobicContact CG-CD2 4.32Å; Q276-L356 WeakPolarHBondContact CG-O 3.24Å; C280-L356 HydrophobicContact CB-CB 3.98Å; T332-L356 HydrophobicContact CG2-CB 4.41Å; T332-L356 PolarHBondContact O-N 2.86Å; I334-L356 HydrophobicContact CD1-CD1 3.88Å; I334-L356 HydrophobicContact CD1-CD2 4.08Å; I334-L356 HydrophobicContact CD1-CG 4.11Å; I334-L356 HydrophobicContact CG1-CD1 4.36Å; I334-L356 HydrophobicContact CG1-CD2 4.47Å; I334-L356 HydrophobicContact CG1-CG 4.24Å; R354-L356 HydrophobicContact CG-CD2 4.28Å
357	V	78.6	Confident	78.2	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-2	-179.2	-62.6	0	0	0	0	113.6	C280 A284 L328 V329 T332 L355 G359 K360 L361	C280-V357 HydrophobicContact CB-CG1 4.33Å; A284-V357 HydrophobicContact CB-CB 4.24Å; A284-V357 HydrophobicContact CB-CG1 3.95Å; L328-V357 HydrophobicContact CD2-CG1 4.04Å; L328-V357 HydrophobicContact CG-CG1 4.06Å; V329-V357 HydrophobicContact CG2-CG2 4.37Å; T332-V357 HydrophobicContact CG2-CG1 3.91Å; T332-V357 WeakPolarHBondContact OG1-CG2 3.31Å; L355-V357 HydrophobicContact CD1-CG2 3.82Å; L355-V357 HydrophobicContact CD2-CG2 4.35Å; L355-V357 HydrophobicContact CG-CG2 3.93Å; L355-V357 PolarHBondContact O-N 3.26Å; V357-G359 PolarHBondContact O-N 3.33Å; V357-K360 PolarHBondContact O-N 3.28Å; V357-L361 HydrophobicContact CB-CD1 3.84Å; V357-L361 HydrophobicContact CB-CG 4.33Å; V357-L361 HydrophobicContact CG2-CD1 3.66Å; V357-L361 WeakPolarHBondContact O-CB 3.38Å; V357-L361 WeakPolarHBondContact O-CG 3.22Å; V357-L361 PolarHBondContact O-N 3.21Å
358	G	64.9	Low	78	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-32.7	-168.2	0	0	0	0	0	114.7	L355 V363	L355-G358 PolarHBondContact O-N 2.79Å; G358-V363 PolarHBondContact O-N 3.22Å
359	G	67.6	Low	77.9	Confident	8 Å²	8	37.5 Å²	37.5	8%	0.082	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-49.7	178.2	0	0	0	0	0	112.5	V357 H364	V357-G359 PolarHBondContact O-N 3.33Å; G359-H364 PolarHBondContact O-ND1 3.05Å
360	K	67.9	Low	77.9	Confident	101 Å²	101	37 Å²	37	44%	0.439	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-28	-174.8	-64.3	-65.4	-176.7	169.6	0	114.6	E281 V357 N362	E281-K360 HydrophobicContact CB-CG 3.89Å; E281-K360 HydrophobicContact CG-CG 3.89Å; E281-K360 WeakPolarHBondContact OE2-CE 3.04Å; V357-K360 PolarHBondContact O-N 3.28Å; K360-N362 PolarHBondContact O-N 3.48Å
361	L	65.4	Low	77.9	Confident	11 Å²	11	39.2 Å²	39.2	6%	0.058	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	8.9	177.2	-67.6	-179.8	0	0	0	113.5	W288 V329 V357 V363 V451	W288-L361 HydrophobicContact CD2-CD2 4.17Å; W288-L361 HydrophobicContact CE3-CD2 3.89Å; W288-L361 HydrophobicContact CG-CD2 4.47Å; W288-L361 HydrophobicContact CZ3-CD2 4.5Å; V329-L361 HydrophobicContact CG2-CD1 3.9Å; V357-L361 HydrophobicContact CB-CD1 3.84Å; V357-L361 HydrophobicContact CB-CG 4.33Å; V357-L361 HydrophobicContact CG2-CD1 3.66Å; V357-L361 WeakPolarHBondContact O-CB 3.38Å; V357-L361 WeakPolarHBondContact O-CG 3.22Å; V357-L361 PolarHBondContact O-N 3.21Å; L361-V363 HydrophobicContact CB-CG2 3.89Å; L361-V363 PolarHBondContact O-N 3.42Å; L361-V363 VanDerWaalsContact O-N 3.12Å; L361-V451 HydrophobicContact CB-CG1 3.98Å; L361-V451 HydrophobicContact CD1-CG1 4.38Å; L361-V451 HydrophobicContact CD2-CG1 4.15Å; L361-V451 HydrophobicContact CG-CG1 4.4Å
362	N	68.3	Low	77.8	Confident	99 Å²	99	39.3 Å²	39.3	53%	0.529	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	24.9	-177.8	-62.5	-36.2	0	0	0	114.3	K360 H364 M365	K360-N362 PolarHBondContact O-N 3.48Å; N362-H364 PolarHBondContact O-N 2.94Å; N362-M365 HydrophobicContact CB-CG 4.3Å; N362-M365 WeakPolarHBondContact O-CB 3.44Å; N362-M365 PolarHBondContact O-N 3.29Å; N362-M365 VanDerWaalsContact O-N 3.15Å
363	V	66.1	Low	77.6	Confident	4 Å²	4	39.5 Å²	39.5	2%	0.024	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-65.8	-25	178.1	-178.7	0	0	0	0	110.8	L355 G358 L361 M365 N366 P368 L413 F449 V451	L355-V363 HydrophobicContact CD2-CG1 4.39Å; L355-V363 HydrophobicContact CD2-CG2 4.49Å; G358-V363 PolarHBondContact O-N 3.22Å; L361-V363 HydrophobicContact CB-CG2 3.89Å; L361-V363 PolarHBondContact O-N 3.42Å; L361-V363 VanDerWaalsContact O-N 3.12Å; V363-M365 PolarHBondContact O-N 3.19Å; V363-N366 CarbonylContact O-C 3.56Å; V363-N366 PolarHBondContact O-N 3.33Å; V363-P368 HydrophobicContact CG1-CG 4.07Å; V363-L413 HydrophobicContact CB-CD2 4.1Å; V363-L413 HydrophobicContact CG1-CD2 3.95Å; V363-F449 HydrophobicContact CB-CD2 4.43Å; V363-F449 HydrophobicContact CG1-CB 4.2Å; V363-F449 HydrophobicContact CG1-CD1 4.5Å; V363-F449 HydrophobicContact CG1-CD2 3.7Å; V363-F449 HydrophobicContact CG1-CE2 4.11Å; V363-F449 HydrophobicContact CG1-CG 3.91Å; V363-F449 HydrophobicContact CG2-CD2 3.77Å; V363-F449 HydrophobicContact CG2-CE2 3.68Å; V363-V451 HydrophobicContact CG2-CG2 4.03Å
364	H	61	Low	77.4	Confident	49 Å²	49	39.6 Å²	39.6	23%	0.227	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-63.1	-18	174.8	67.3	-91.5	0	0	0	114.3	G359 N362 N366 Y406 L413	G359-H364 PolarHBondContact O-ND1 3.05Å; N362-H364 PolarHBondContact O-N 2.94Å; H364-N366 VanDerWaalsContact C-N 3.3Å; H364-N366 PolarHBondContact O-N 2.97Å; H364-Y406 HydrophobicContact CB-CD1 4.34Å; H364-Y406 HydrophobicContact CB-CD2 4.01Å; H364-Y406 HydrophobicContact CB-CG 3.78Å; H364-L413 HydrophobicContact CB-CD1 4.27Å
365	M	68.1	Low	77.2	Confident	135 Å²	135	39.7 Å²	39.7	67%	0.665	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-68.1	-30.4	178.9	-70.4	-67.3	179	0	0	112.5	N362 V363	N362-M365 HydrophobicContact CB-CG 4.3Å; N362-M365 WeakPolarHBondContact O-CB 3.44Å; N362-M365 PolarHBondContact O-N 3.29Å; N362-M365 VanDerWaalsContact O-N 3.15Å; V363-M365 PolarHBondContact O-N 3.19Å
366	N	71	Confident	77	Confident	133 Å²	133	40.9 Å²	40.9	71%	0.711	21%	0.211	S	C	*	.	S	Bend	trans	-133.3	84	171.3	-79.7	-16.8	0	0	0	108	V363 H364 P368	V363-N366 CarbonylContact O-C 3.56Å; V363-N366 PolarHBondContact O-N 3.33Å; H364-N366 VanDerWaalsContact C-N 3.3Å; H364-N366 PolarHBondContact O-N 2.97Å; N366-P368 WeakPolarHBondContact O-CD 3.14Å
367	P	76.2	Confident	76.6	Confident	63 Å²	63	44 Å²	44	41%	0.409	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-61.4	121.6	-171.3	23.6	-32.6	0	0	0	110.5	V403 M404	P367-V403 HydrophobicContact CB-CG1 3.83Å; P367-V403 HydrophobicContact CG-CG1 4.04Å; P367-M404 WeakPolarHBondContact CB-O 3.43Å
368	P	83.6	Confident	76.3	Confident	9 Å²	9	51.3 Å²	51.3	6%	0.058	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-76.5	156.9	-176.4	30.1	-34.5	0	0	0	112	V363 N366 M404 Q448 F449	V363-P368 HydrophobicContact CG1-CG 4.07Å; N366-P368 WeakPolarHBondContact O-CD 3.14Å; P368-M404 HydrophobicContact CG-CG 4.08Å; P368-M404 HydrophobicContact CG-SD 3.74Å; P368-M404 WeakPolarHBondContact O-CG 3.5Å; P368-M404 PolarHBondContact O-N 3.14Å; P368-Q448 WeakPolarHBondContact CB-O 3.32Å; P368-F449 HydrophobicContact CB-CB 3.78Å; P368-F449 HydrophobicContact CB-CD1 4.42Å; P368-F449 HydrophobicContact CG-CB 3.91Å; P368-F449 HydrophobicContact CG-CD1 4.06Å; P368-F449 HydrophobicContact CG-CG 4.25Å
369	Q	87	Confident	76.7	Confident	109 Å²	109	52.5 Å²	52.5	51%	0.509	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	133.7	171.5	-164.6	172.4	32.1	0	0	109.6	N401 S447	Q369-N401 HydrophobicContact CG-CB 4.22Å; Q369-S447 PolarHBondContact O-OG 3.22Å
370	V	90.3	Very high	77	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	129.5	172.1	-174.3	0	0	0	0	108.1	F333 N401 C402 M404 A415 F417 F445 E446	F333-V370 HydrophobicContact CE2-CG2 4.46Å; F333-V370 HydrophobicContact CZ-CG1 4.03Å; F333-V370 HydrophobicContact CZ-CG2 4.42Å; V370-N401 WeakPolarHBondContact O-CA 3.42Å; V370-C402 PolarHBondContact N-O 3.28Å; V370-C402 PolarHBondContact O-N 2.84Å; V370-M404 HydrophobicContact CG2-CG 3.61Å; V370-M404 HydrophobicContact CG2-SD 4.15Å; V370-A415 HydrophobicContact CB-CB 4.22Å; V370-A415 HydrophobicContact CG2-CB 3.82Å; V370-F417 HydrophobicContact CB-CE2 4.26Å; V370-F417 HydrophobicContact CB-CZ 3.9Å; V370-F417 HydrophobicContact CG1-CE2 4.03Å; V370-F417 HydrophobicContact CG1-CZ 3.81Å; V370-F445 HydrophobicContact CG1-CB 4.08Å; V370-F445 HydrophobicContact CG1-CD1 4.12Å; V370-E446 WeakPolarHBondContact CA-O 3.22Å
371	K	89.6	Confident	77.2	Confident	79 Å²	79	50.7 Å²	50.7	34%	0.343	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.4	177.5	173.2	167.5	164.2	-121.5	0	109.9	T373 N400 N401 F445 E446	K371-T373 HydrophobicContact CG-CG2 4.13Å; K371-N400 CarbonylContact C-O 3.59Å; K371-N400 WeakPolarHBondContact CA-O 3.34Å; K371-N401 WeakPolarHBondContact CB-OD1 3.26Å; K371-N401 VanDerWaalsContact CG-OD1 3.31Å; K371-N401 WeakPolarHBondContact CG-OD1 3.2Å; K371-F445 WeakPolarHBondContact O-CA 3.49Å; K371-E446 HydrophobicContact CB-CG 3.9Å; K371-E446 WeakPolarHBondContact CD-OE1 3.33Å; K371-E446 HydrophobicContact CG-CG 4.28Å; K371-E446 PolarHBondContact N-O 3.45Å; K371-E446 IonicContact NZ-OE1 3.07Å; K371-E446 PolarHBondContact NZ-OE1 3.22Å; K371-E446 PolarHBondContact O-N 2.87Å
372	A	89.5	Confident	77.6	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.008	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	134.9	174.1	0	0	0	0	0	110.1	N400 F417 M420 I443 L444 F445	A372-N400 HydrophobicContact CB-CB 4.47Å; A372-N400 PolarHBondContact N-O 2.87Å; A372-N400 WeakPolarHBondContact O-CB 3.21Å; A372-N400 PolarHBondContact O-ND2 3.12Å; A372-F417 HydrophobicContact CB-CE1 4.19Å; A372-F417 HydrophobicContact CB-CZ 4.49Å; A372-M420 HydrophobicContact CB-SD 3.78Å; A372-I443 HydrophobicContact CB-CG2 4.04Å; A372-L444 CarbonylContact C-O 3.52Å; A372-L444 WeakPolarHBondContact CA-O 3.45Å; A372-F445 HydrophobicContact CB-CD1 3.84Å; A372-F445 HydrophobicContact CB-CE1 3.69Å; A372-F445 HydrophobicContact CB-CZ 4.49Å
373	T	87.1	Confident	77.7	Confident	22 Å²	22	48.2 Å²	48.2	14%	0.135	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	138.3	176.9	55	0	0	0	0	109.8	K371 I443 L444	K371-T373 HydrophobicContact CG-CG2 4.13Å; T373-I443 CarbonylContact O-C 3.42Å; T373-I443 WeakPolarHBondContact O-CA 3.46Å; T373-L444 PolarHBondContact N-O 3.32Å; T373-L444 PolarHBondContact O-N 2.88Å; T373-L444 PolarHBondContact OG1-O 2.87Å
374	I	87.3	Confident	77.9	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	130.4	174.9	-170.7	168.1	0	0	0	109.9	S394 G395 I397 L422 I425 F441 V469	I374-S394 PolarHBondContact O-N 3.28Å; I374-G395 VanDerWaalsContact CG2-CA 3.42Å; I374-G395 WeakPolarHBondContact CG2-O 3.4Å; I374-I397 HydrophobicContact CB-CD1 4Å; I374-I397 HydrophobicContact CB-CG1 4.32Å; I374-I397 HydrophobicContact CG2-CD1 4.38Å; I374-I397 HydrophobicContact CG2-CG1 4.18Å; I374-L422 HydrophobicContact CD1-CD1 4.03Å; I374-L422 HydrophobicContact CD1-CD2 4.04Å; I374-L422 HydrophobicContact CG2-CD1 4.05Å; I374-I425 HydrophobicContact CD1-CD1 3.9Å; I374-F441 HydrophobicContact CD1-CB 3.94Å; I374-F441 HydrophobicContact CD1-CD1 4.5Å; I374-F441 HydrophobicContact CD1-CG 4.24Å; I374-F441 HydrophobicContact CG1-CB 3.96Å; I374-F441 HydrophobicContact CG1-CD1 4.45Å; I374-F441 HydrophobicContact CG1-CG 4.46Å; I374-V469 HydrophobicContact CD1-CG2 4.13Å
375	I	84.7	Confident	78.1	Confident	9 Å²	9	59 Å²	59	5%	0.046	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	151.3	-179.9	60.6	168	0	0	0	110.2	Q379 A380 L383 F441 T442 L444 L463	I375-Q379 HydrophobicContact CB-CB 4.24Å; I375-A380 HydrophobicContact CD1-CB 3.83Å; I375-L383 HydrophobicContact CD1-CD1 3.47Å; I375-L383 VanDerWaalsContact CD1-CD1 3.47Å; I375-L383 HydrophobicContact CG2-CD1 4.46Å; I375-F441 WeakPolarHBondContact O-CA 3.27Å; I375-T442 HydrophobicContact CD1-CG2 3.67Å; I375-T442 HydrophobicContact CG1-CG2 3.42Å; I375-T442 VanDerWaalsContact CG1-CG2 3.42Å; I375-T442 WeakPolarHBondContact CG1-O 3.47Å; I375-T442 PolarHBondContact N-O 3.01Å; I375-T442 PolarHBondContact O-N 3.26Å; I375-L444 HydrophobicContact CD1-CB 4.08Å; I375-L444 HydrophobicContact CG1-CB 4.34Å; I375-L444 HydrophobicContact CG2-CB 4.49Å; I375-L463 HydrophobicContact CD1-CD2 3.73Å
376	S	81.3	Confident	77.9	Confident	25 Å²	25	59.5 Å²	59.5	18%	0.175	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	167.9	175.3	65.7	0	0	0	0	111.8	Q378 Q379 A380 S394	S376-Q378 VanDerWaalsContact C-N 3.34Å; S376-Q378 PolarHBondContact O-N 3.03Å; S376-Q379 PolarHBondContact O-N 3.21Å; S376-Q379 WeakPolarHBondContact OG-CG 3.25Å; S376-Q379 PolarHBondContact OG-OE1 3.13Å; S376-A380 WeakPolarHBondContact O-CB 3.4Å; S376-A380 PolarHBondContact O-N 3.09Å; S376-S394 WeakPolarHBondContact CB-OG 3.35Å; S376-S394 PolarHBondContact N-OG 3.44Å; S376-S394 PolarHBondContact OG-OG 3.49Å
377	E	74.3	Confident	77.1	Confident	64 Å²	64	59.8 Å²	59.8	30%	0.299	30%	0.298	S	S	.	.	H	α-helix	trans	-53.4	-47.1	174.8	169.5	172.2	-179.7	0	0	113.2	Q379 A380 K381 F497	E377-Q379 VanDerWaalsContact C-N 3.29Å; E377-Q379 PolarHBondContact O-N 3.13Å; E377-A380 PolarHBondContact O-N 2.81Å; E377-K381 HydrophobicContact CG-CD 4.33Å; E377-K381 WeakPolarHBondContact O-CG 3.39Å; E377-K381 PolarHBondContact O-N 3.34Å; E377-K381 WeakPolarHBondContact OE1-CE 3.42Å; E377-K381 IonicContact OE1-NZ 3.18Å; E377-K381 PolarHBondContact OE1-NZ 2.84Å; E377-F497 HydrophobicContact CB-CB 4.44Å; E377-F497 HydrophobicContact CB-CD2 3.71Å; E377-F497 HydrophobicContact CB-CE2 4.11Å; E377-F497 HydrophobicContact CB-CG 4.07Å; E377-F497 VanDerWaalsContact CD-CB 3.49Å; E377-F497 HydrophobicContact CG-CB 3.85Å; E377-F497 HydrophobicContact CG-CD2 3.6Å; E377-F497 HydrophobicContact CG-CE2 4.43Å; E377-F497 HydrophobicContact CG-CG 3.93Å
378	Q	72.4	Confident	75.7	Confident	154 Å²	154	63.9 Å²	63.9	72%	0.72	32%	0.316	S	S	*	.	H	α-helix	trans	-63.7	-38.2	-178.5	-169.9	173.9	7	0	0	111.5	S376 K381 A382	S376-Q378 VanDerWaalsContact C-N 3.34Å; S376-Q378 PolarHBondContact O-N 3.03Å; Q378-K381 PolarHBondContact O-N 3.18Å; Q378-A382 WeakPolarHBondContact O-CB 3.37Å; Q378-A382 PolarHBondContact O-N 3.38Å
379	Q	73.3	Confident	74.3	Confident	26 Å²	26	65.3 Å²	65.3	12%	0.121	33%	0.325	C	S	.	.	H	α-helix	trans	-71.2	-38.5	176.8	-67.9	175.7	-24.2	0	0	112	I375 S376 E377 K381 A382 L383 E392 S394	I375-Q379 HydrophobicContact CB-CB 4.24Å; S376-Q379 PolarHBondContact O-N 3.21Å; S376-Q379 WeakPolarHBondContact OG-CG 3.25Å; S376-Q379 PolarHBondContact OG-OE1 3.13Å; E377-Q379 VanDerWaalsContact C-N 3.29Å; E377-Q379 PolarHBondContact O-N 3.13Å; Q379-K381 VanDerWaalsContact C-N 3.33Å; Q379-K381 PolarHBondContact O-N 3.01Å; Q379-A382 PolarHBondContact O-N 3.45Å; Q379-L383 WeakPolarHBondContact O-CB 3.34Å; Q379-L383 VanDerWaalsContact O-CG 3.31Å; Q379-L383 WeakPolarHBondContact O-CG 3.49Å; Q379-L383 PolarHBondContact O-N 3.45Å; Q379-E392 VanDerWaalsContact CD-O 3.26Å; Q379-E392 PolarHBondContact NE2-O 3.35Å; Q379-E392 PolarHBondContact OE1-O 3.29Å; Q379-S394 PolarHBondContact OE1-OG 3.12Å
380	A	72.3	Confident	72.5	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-63	-40.3	174.1	0	0	0	0	0	111.8	I375 S376 E377 L383 L384 T442 P496 F497	I375-A380 HydrophobicContact CD1-CB 3.83Å; S376-A380 WeakPolarHBondContact O-CB 3.4Å; S376-A380 PolarHBondContact O-N 3.09Å; E377-A380 PolarHBondContact O-N 2.81Å; A380-L383 PolarHBondContact O-N 3.45Å; A380-L384 PolarHBondContact O-N 3.49Å; A380-T442 HydrophobicContact CB-CG2 4.15Å; A380-P496 HydrophobicContact CB-CB 4.28Å; A380-F497 HydrophobicContact CB-CE2 3.71Å
381	K	73.3	Confident	70.7	Confident	70 Å²	70	76 Å²	76	30%	0.304	37%	0.373	S	S	.	.	H	α-helix	trans	-64.6	-39.3	173.5	-69.7	-179.8	-173.1	172.1	0	112.1	E377 Q378 Q379 K385 V495 P496	E377-K381 HydrophobicContact CG-CD 4.33Å; E377-K381 WeakPolarHBondContact O-CG 3.39Å; E377-K381 PolarHBondContact O-N 3.34Å; E377-K381 WeakPolarHBondContact OE1-CE 3.42Å; E377-K381 IonicContact OE1-NZ 3.18Å; E377-K381 PolarHBondContact OE1-NZ 2.84Å; Q378-K381 PolarHBondContact O-N 3.18Å; Q379-K381 VanDerWaalsContact C-N 3.33Å; Q379-K381 PolarHBondContact O-N 3.01Å; K381-K385 PolarHBondContact O-N 3.32Å; K381-V495 HydrophobicContact CD-CG1 3.86Å; K381-V495 HydrophobicContact CG-CG1 3.73Å; K381-P496 WeakPolarHBondContact CE-O 3.49Å
382	A	72.5	Confident	69.2	Low	22 Å²	22	78.5 Å²	78.5	18%	0.182	39%	0.386	C	S	.	.	H	α-helix	trans	-68.3	-38.4	176	0	0	0	0	0	112.5	Q378 Q379 L384 K385 N386 E387 T389	Q378-A382 WeakPolarHBondContact O-CB 3.37Å; Q378-A382 PolarHBondContact O-N 3.38Å; Q379-A382 PolarHBondContact O-N 3.45Å; A382-L384 VanDerWaalsContact C-N 3.35Å; A382-L384 PolarHBondContact O-N 2.87Å; A382-K385 CarbonylContact O-C 3.53Å; A382-K385 WeakPolarHBondContact O-CA 3.32Å; A382-K385 PolarHBondContact O-N 2.86Å; A382-N386 PolarHBondContact O-N 3.48Å; A382-E387 PolarHBondContact O-N 2.92Å; A382-T389 HydrophobicContact CB-CG2 4.43Å
383	L	71.5	Confident	67.8	Low	36 Å²	36	81.1 Å²	81.1	19%	0.188	40%	0.404	C	S	.	.	H	α-helix	trans	-63.3	-37.2	177.2	-80.7	168.7	0	0	0	112.7	I375 Q379 A380 K385 N386 L444	I375-L383 HydrophobicContact CD1-CD1 3.47Å; I375-L383 VanDerWaalsContact CD1-CD1 3.47Å; I375-L383 HydrophobicContact CG2-CD1 4.46Å; Q379-L383 WeakPolarHBondContact O-CB 3.34Å; Q379-L383 VanDerWaalsContact O-CG 3.31Å; Q379-L383 WeakPolarHBondContact O-CG 3.49Å; Q379-L383 PolarHBondContact O-N 3.45Å; A380-L383 PolarHBondContact O-N 3.45Å; L383-K385 PolarHBondContact O-N 2.94Å; L383-N386 PolarHBondContact O-N 2.9Å; L383-L444 HydrophobicContact CD1-CD2 3.99Å
384	L	69.5	Low	66.6	Low	110 Å²	110	80.5 Å²	80.5	58%	0.576	40%	0.4	S	S	*	.	H	α-helix	trans	-68.7	-23.9	173.4	-71.8	179.1	0	0	0	113.3	A380 A382 N386 P496	A380-L384 PolarHBondContact O-N 3.49Å; A382-L384 VanDerWaalsContact C-N 3.35Å; A382-L384 PolarHBondContact O-N 2.87Å; L384-N386 VanDerWaalsContact C-N 3.29Å; L384-P496 HydrophobicContact CD1-CG 3.26Å; L384-P496 HydrophobicContact CG-CG 4.27Å
385	K	65.9	Low	65.8	Low	171 Å²	171	80.8 Å²	80.8	74%	0.743	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	5	174.9	-66.4	-176.5	179.3	-174.2	0	113	K381 A382 L383 E387	K381-K385 PolarHBondContact O-N 3.32Å; A382-K385 CarbonylContact O-C 3.53Å; A382-K385 WeakPolarHBondContact O-CA 3.32Å; A382-K385 PolarHBondContact O-N 2.86Å; L383-K385 PolarHBondContact O-N 2.94Å; K385-E387 PolarHBondContact O-N 3.38Å
386	N	63.8	Low	65.5	Low	145 Å²	145	85.4 Å²	85.4	78%	0.775	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	26.8	-176.7	-78	-28.6	0	0	0	114.4	A382 L383 L384	A382-N386 PolarHBondContact O-N 3.48Å; L383-N386 PolarHBondContact O-N 2.9Å; L384-N386 VanDerWaalsContact C-N 3.29Å
387	E	53.7	Low	65.5	Low	138 Å²	138	85 Å²	85	65%	0.645	42%	0.421	S	S	*	.			trans	-74.6	131.2	167	-64.5	-146.7	152.7	0	0	109.3	A382 K385 T389	A382-E387 PolarHBondContact O-N 2.92Å; K385-E387 PolarHBondContact O-N 3.38Å; E387-T389 VanDerWaalsContact C-N 3.3Å; E387-T389 PolarHBondContact O-N 3.25Å; E387-T389 PolarHBondContact O-OG1 3.42Å
388	N	47.2	Very low	65.9	Low	149 Å²	149	85.9 Å²	85.9	80%	0.797	43%	0.427	S	S	*	.			trans	-72.1	72.5	-166.6	-117.8	-16.4	0	0	0	112.6	R390	N388-R390 PolarHBondContact O-N 2.95Å
389	T	53.5	Low	66.4	Low	40 Å²	40	83.8 Å²	83.8	25%	0.245	42%	0.421	C	S	.	.			trans	-87.4	46	173.4	44.7	0	0	0	0	112.1	A382 E387 N391	A382-T389 HydrophobicContact CB-CG2 4.43Å; E387-T389 VanDerWaalsContact C-N 3.3Å; E387-T389 PolarHBondContact O-N 3.25Å; E387-T389 PolarHBondContact O-OG1 3.42Å; T389-N391 PolarHBondContact O-N 3.38Å
390	R	50.4	Low	66.9	Low	173 Å²	173	84.7 Å²	84.7	65%	0.653	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-9.4	-169.2	-130.4	178.6	-175.7	-171.3	3.4	115	N388	N388-R390 PolarHBondContact O-N 2.95Å
391	N	51.6	Low	67.6	Low	160 Å²	160	88.1 Å²	88.1	86%	0.856	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.6	0.2	-172.4	-87.2	-12.3	0	0	0	116.4	T389 S393	T389-N391 PolarHBondContact O-N 3.38Å; N391-S393 PolarHBondContact O-N 3.04Å
392	E	57.6	Low	68.3	Low	132 Å²	132	85.8 Å²	85.8	62%	0.617	44%	0.437	S	S	*	.			trans	-97.6	81.6	-179.3	-67.1	-169.1	164.7	0	0	110.8	Q379	Q379-E392 VanDerWaalsContact CD-O 3.26Å; Q379-E392 PolarHBondContact NE2-O 3.35Å; Q379-E392 PolarHBondContact OE1-O 3.29Å
393	S	61.8	Low	69	Low	56 Å²	56	88.2 Å²	88.2	39%	0.392	45%	0.45	S	S	.	.			trans	-74.7	136.1	168	55.6	0	0	0	0	110.2	N391 G395	N391-S393 PolarHBondContact O-N 3.04Å; S393-G395 PolarHBondContact O-N 3.42Å
394	S	62	Low	69.8	Low	8 Å²	8	86.6 Å²	86.6	6%	0.056	44%	0.441	C	S	.	.	S	Bend	trans	-77.4	-2	175.2	-73.9	0	0	0	0	112.2	I374 S376 Q379 I425 K426	I374-S394 PolarHBondContact O-N 3.28Å; S376-S394 WeakPolarHBondContact CB-OG 3.35Å; S376-S394 PolarHBondContact N-OG 3.44Å; S376-S394 PolarHBondContact OG-OG 3.49Å; Q379-S394 PolarHBondContact OE1-OG 3.12Å; S394-I425 CarbonylContact O-C 3.53Å; S394-I425 WeakPolarHBondContact O-CA 3.4Å; S394-I425 WeakPolarHBondContact O-CG1 3.35Å; S394-K426 PolarHBondContact O-N 3.46Å
395	G	70.5	Confident	70.5	Confident	9 Å²	9	86 Å²	86	9%	0.093	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.2	166.4	179.4	0	0	0	0	0	113.9	I374 S393 R424	I374-G395 VanDerWaalsContact CG2-CA 3.42Å; I374-G395 WeakPolarHBondContact CG2-O 3.4Å; S393-G395 PolarHBondContact O-N 3.42Å; G395-R424 CarbonylContact C-O 3.54Å; G395-R424 WeakPolarHBondContact CA-O 3.34Å
396	E	76.8	Confident	71.4	Confident	105 Å²	105	81.9 Å²	81.9	49%	0.491	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	112.4	-179.3	-70.8	176.1	-168.6	0	0	110.2	K423 R424	E396-K423 HydrophobicContact CB-CB 4.49Å; E396-K423 PolarHBondContact O-N 2.96Å; E396-R424 PolarHBondContact N-O 3.37Å
397	I	82.9	Confident	72.2	Confident	18 Å²	18	78.8 Å²	78.8	9%	0.092	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	129.9	170.5	-56.7	176.2	0	0	0	108.7	F349 I374 N400 M420 S421 L422 I443	F349-I397 HydrophobicContact CZ-CG2 4.41Å; I374-I397 HydrophobicContact CB-CD1 4Å; I374-I397 HydrophobicContact CB-CG1 4.32Å; I374-I397 HydrophobicContact CG2-CD1 4.38Å; I374-I397 HydrophobicContact CG2-CG1 4.18Å; I397-N400 HydrophobicContact CB-CB 4.1Å; I397-N400 HydrophobicContact CG2-CB 4.04Å; I397-M420 HydrophobicContact CG2-CB 4.11Å; I397-M420 HydrophobicContact CG2-CG 4.27Å; I397-M420 HydrophobicContact CG2-SD 4.32Å; I397-S421 WeakPolarHBondContact CA-O 3.48Å; I397-L422 HydrophobicContact CG1-CD1 3.95Å; I397-I443 HydrophobicContact CD1-CG2 4.48Å
398	L	81.3	Confident	73.1	Confident	81 Å²	81	80.3 Å²	80.3	42%	0.424	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	146.8	169.6	-60.1	174.9	0	0	0	110.2	N400 M420 S421 K423	L398-N400 VanDerWaalsContact C-N 3.33Å; L398-N400 PolarHBondContact O-N 2.95Å; L398-M420 WeakPolarHBondContact O-CA 3.12Å; L398-S421 PolarHBondContact N-O 2.9Å; L398-S421 PolarHBondContact O-N 2.98Å; L398-K423 HydrophobicContact CD1-CB 4.45Å; L398-K423 HydrophobicContact CD2-CD 4.43Å; L398-K423 HydrophobicContact CG-CB 4.37Å
399	N	82.5	Confident	74.2	Confident	111 Å²	111	78.9 Å²	78.9	59%	0.594	40%	0.401	S	S	*	.	S	Bend	trans	57	43.8	-177.4	-54.5	-32	0	0	0	112.9	N401 N419 M420	N399-N401 VanDerWaalsContact C-N 3.32Å; N399-N401 PolarHBondContact O-N 3.1Å; N399-N419 PolarHBondContact ND2-O 2.89Å; N399-M420 WeakPolarHBondContact O-CG 3.46Å
400	N	83.9	Confident	74.9	Confident	44 Å²	44	80.7 Å²	80.7	24%	0.235	41%	0.412	C	S	.	.			trans	-85.1	-1.4	-171.2	74	-50.2	0	0	0	114.3	K371 A372 I397 L398 F417	K371-N400 CarbonylContact C-O 3.59Å; K371-N400 WeakPolarHBondContact CA-O 3.34Å; A372-N400 HydrophobicContact CB-CB 4.47Å; A372-N400 PolarHBondContact N-O 2.87Å; A372-N400 WeakPolarHBondContact O-CB 3.21Å; A372-N400 PolarHBondContact O-ND2 3.12Å; I397-N400 HydrophobicContact CB-CB 4.1Å; I397-N400 HydrophobicContact CG2-CB 4.04Å; L398-N400 VanDerWaalsContact C-N 3.33Å; L398-N400 PolarHBondContact O-N 2.95Å; N400-F417 WeakPolarHBondContact O-CE1 3.46Å
401	N	87.4	Confident	75.9	Confident	72 Å²	72	73 Å²	73	39%	0.385	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	135.1	177.7	-67.1	-16.8	0	0	0	110.6	Q369 V370 K371 N399	Q369-N401 HydrophobicContact CG-CB 4.22Å; V370-N401 WeakPolarHBondContact O-CA 3.42Å; K371-N401 WeakPolarHBondContact CB-OD1 3.26Å; K371-N401 VanDerWaalsContact CG-OD1 3.31Å; K371-N401 WeakPolarHBondContact CG-OD1 3.2Å; N399-N401 VanDerWaalsContact C-N 3.32Å; N399-N401 PolarHBondContact O-N 3.1Å
402	C	88.2	Confident	77.2	Confident	22 Å²	22	66 Å²	66	15%	0.149	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	141.7	176.2	-177.7	0	0	0	0	109.3	V370 A415 H416 F417	V370-C402 PolarHBondContact N-O 3.28Å; V370-C402 PolarHBondContact O-N 2.84Å; C402-A415 HydrophobicContact CB-CB 4.39Å; C402-H416 PolarHBondContact SG-O 3.33Å; C402-F417 HydrophobicContact CB-CD1 3.73Å; C402-F417 HydrophobicContact CB-CD2 4.24Å; C402-F417 HydrophobicContact CB-CE1 3.4Å; C402-F417 HydrophobicContact CB-CE2 3.94Å; C402-F417 HydrophobicContact CB-CG 4.14Å; C402-F417 HydrophobicContact CB-CZ 3.52Å
403	V	87.7	Confident	78.5	Confident	72 Å²	72	59.7 Å²	59.7	44%	0.436	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	140.1	174.6	-180	0	0	0	0	108.4	P367	P367-V403 HydrophobicContact CB-CG1 3.83Å; P367-V403 HydrophobicContact CG-CG1 4.04Å
404	M	87.2	Confident	79.6	Confident	3 Å²	3	57.1 Å²	57.1	2%	0.015	30%	0.302	C	S	.	.			trans	-68.5	134.3	175	-62.7	-163.3	81.8	0	0	111	L355 P367 P368 V370 L413 A415	L355-M404 HydrophobicContact CB-CE 3.76Å; P367-M404 WeakPolarHBondContact CB-O 3.43Å; P368-M404 HydrophobicContact CG-CG 4.08Å; P368-M404 HydrophobicContact CG-SD 3.74Å; P368-M404 WeakPolarHBondContact O-CG 3.5Å; P368-M404 PolarHBondContact O-N 3.14Å; V370-M404 HydrophobicContact CG2-CG 3.61Å; V370-M404 HydrophobicContact CG2-SD 4.15Å; M404-L413 HydrophobicContact CB-CD1 4.03Å; M404-L413 HydrophobicContact CB-CG 4.08Å; M404-L413 HydrophobicContact CE-CB 4.44Å; M404-L413 HydrophobicContact CE-CD2 4.04Å; M404-L413 HydrophobicContact CE-CG 3.77Å; M404-L413 VanDerWaalsContact CE-O 3.29Å; M404-L413 WeakPolarHBondContact CE-O 3.29Å; M404-L413 HydrophobicContact SD-CD2 3.96Å; M404-L413 HydrophobicContact SD-CG 4.15Å; M404-A415 HydrophobicContact CG-CB 4.11Å
405	E	85.7	Confident	81	Confident	98 Å²	98	56.7 Å²	56.7	46%	0.458	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	136.9	178.6	-67.3	173.5	172.1	0	0	109.8	L413 S414	E405-L413 WeakPolarHBondContact O-CA 3.23Å; E405-S414 PolarHBondContact N-O 2.79Å; E405-S414 PolarHBondContact O-N 2.84Å
406	Y	83.4	Confident	81.9	Confident	83 Å²	83	59 Å²	59	33%	0.325	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	119.4	178.5	-178.3	-106.8	0	0	0	110.6	H364 Q408 G411 T412 L413	H364-Y406 HydrophobicContact CB-CD1 4.34Å; H364-Y406 HydrophobicContact CB-CD2 4.01Å; H364-Y406 HydrophobicContact CB-CG 3.78Å; Y406-Q408 HydrophobicContact CD1-CG 4.07Å; Y406-Q408 HydrophobicContact CE1-CB 4.49Å; Y406-Q408 HydrophobicContact CE1-CG 4.02Å; Y406-G411 WeakPolarHBondContact CE2-O 3.33Å; Y406-T412 WeakPolarHBondContact CA-O 3.47Å; Y406-L413 HydrophobicContact CD2-CB 4.33Å; Y406-L413 HydrophobicContact CD2-CD1 4.32Å
407	H	80.4	Confident	82.5	Confident	80 Å²	80	54.3 Å²	54.3	37%	0.37	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	116	173.9	-75.3	-123.5	0	0	0	109.7	T409 T410 G411 T412	H407-T409 PolarHBondContact O-N 3.45Å; H407-T410 VanDerWaalsContact CB-OG1 3.29Å; H407-T410 WeakPolarHBondContact CB-OG1 3.46Å; H407-G411 WeakPolarHBondContact O-CA 3.48Å; H407-G411 PolarHBondContact O-N 3.17Å; H407-T412 PolarHBondContact N-O 2.88Å; H407-T412 PolarHBondContact O-N 2.86Å
408	Q	72.6	Confident	82.7	Confident	171 Å²	171	61.9 Å²	61.9	80%	0.799	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-30.9	-174	-64.7	-179.3	0.8	0	0	113.7	Y406	Y406-Q408 HydrophobicContact CD1-CG 4.07Å; Y406-Q408 HydrophobicContact CE1-CB 4.49Å; Y406-Q408 HydrophobicContact CE1-CG 4.02Å
409	T	70.6	Confident	82.9	Confident	119 Å²	119	62.3 Å²	62.3	73%	0.73	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-37.4	-178.7	49.4	0	0	0	0	112.6	H407	H407-T409 PolarHBondContact O-N 3.45Å
410	T	69.1	Low	83.3	Confident	78 Å²	78	57 Å²	57	48%	0.479	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-11.2	-177.3	54.8	0	0	0	0	113.1	H407 T412	H407-T410 VanDerWaalsContact CB-OG1 3.29Å; H407-T410 WeakPolarHBondContact CB-OG1 3.46Å; T410-T412 WeakPolarHBondContact O-CG2 3.5Å; T410-T412 PolarHBondContact O-N 3.08Å; T410-T412 WeakPolarHBondContact OG1-CG2 3.37Å; T410-T412 PolarHBondContact OG1-OG1 3.01Å
411	G	70.9	Confident	83.4	Confident	12 Å²	12	55.7 Å²	55.7	12%	0.124	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	16.5	-175.8	0	0	0	0	0	113.9	Q276 Y406 H407	Q276-G411 PolarHBondContact NE2-O 3.37Å; Q276-G411 VanDerWaalsContact NE2-O 3.15Å; Y406-G411 WeakPolarHBondContact CE2-O 3.33Å; H407-G411 WeakPolarHBondContact O-CA 3.48Å; H407-G411 PolarHBondContact O-N 3.17Å
412	T	78.9	Confident	83.4	Confident	11 Å²	11	52.4 Å²	52.4	7%	0.067	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	129.5	-169.7	60.3	0	0	0	0	111.9	Y406 H407 T410	Y406-T412 WeakPolarHBondContact CA-O 3.47Å; H407-T412 PolarHBondContact N-O 2.88Å; H407-T412 PolarHBondContact O-N 2.86Å; T410-T412 WeakPolarHBondContact O-CG2 3.5Å; T410-T412 PolarHBondContact O-N 3.08Å; T410-T412 WeakPolarHBondContact OG1-CG2 3.37Å; T410-T412 PolarHBondContact OG1-OG1 3.01Å
413	L	83.9	Confident	83	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	106	171.9	-171.6	72.1	0	0	0	109.4	R354 L355 V363 H364 M404 E405 Y406	R354-L413 WeakPolarHBondContact CA-O 3.48Å; L355-L413 HydrophobicContact CB-CD2 4.36Å; L355-L413 HydrophobicContact CD2-CD2 4.09Å; L355-L413 PolarHBondContact N-O 3.11Å; V363-L413 HydrophobicContact CB-CD2 4.1Å; V363-L413 HydrophobicContact CG1-CD2 3.95Å; H364-L413 HydrophobicContact CB-CD1 4.27Å; M404-L413 HydrophobicContact CB-CD1 4.03Å; M404-L413 HydrophobicContact CB-CG 4.08Å; M404-L413 HydrophobicContact CE-CB 4.44Å; M404-L413 HydrophobicContact CE-CD2 4.04Å; M404-L413 HydrophobicContact CE-CG 3.77Å; M404-L413 VanDerWaalsContact CE-O 3.29Å; M404-L413 WeakPolarHBondContact CE-O 3.29Å; M404-L413 HydrophobicContact SD-CD2 3.96Å; M404-L413 HydrophobicContact SD-CG 4.15Å; E405-L413 WeakPolarHBondContact O-CA 3.23Å; Y406-L413 HydrophobicContact CD2-CB 4.33Å; Y406-L413 HydrophobicContact CD2-CD1 4.32Å
414	S	86.7	Confident	82.3	Confident	2 Å²	2	61 Å²	61	1%	0.014	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	142.7	-173.4	-62.5	0	0	0	0	112.4	V353 R354 E405	V353-S414 CarbonylContact O-C 3.47Å; V353-S414 VanDerWaalsContact O-CA 3.23Å; V353-S414 WeakPolarHBondContact O-CA 3.47Å; R354-S414 WeakPolarHBondContact CG-OG 3.48Å; E405-S414 PolarHBondContact N-O 2.79Å; E405-S414 PolarHBondContact O-N 2.84Å
415	A	89.6	Confident	81.9	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	119.5	169.1	0	0	0	0	0	109.8	T352 V353 V370 C402 M404 F417	T352-A415 WeakPolarHBondContact CA-O 3.34Å; V353-A415 PolarHBondContact N-O 2.84Å; V353-A415 PolarHBondContact O-N 2.79Å; V370-A415 HydrophobicContact CB-CB 4.22Å; V370-A415 HydrophobicContact CG2-CB 3.82Å; C402-A415 HydrophobicContact CB-CB 4.39Å; M404-A415 HydrophobicContact CG-CB 4.11Å; A415-F417 HydrophobicContact CB-CE2 4.02Å
416	H	90.3	Very high	81.1	Confident	56 Å²	56	65.3 Å²	65.3	26%	0.259	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	100.8	-176.9	-64.3	96.1	0	0	0	111.3	T352 C402 R418	T352-H416 VanDerWaalsContact CG2-CD2 3.49Å; T352-H416 WeakPolarHBondContact CG2-CD2 3.25Å; C402-H416 PolarHBondContact SG-O 3.33Å; H416-R418 PolarHBondContact O-N 2.93Å
417	F	89.8	Confident	80.3	Confident	7 Å²	7	65.8 Å²	65.8	3%	0.031	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	102	172.3	-63.3	-95.6	0	0	0	108.9	A350 A351 V353 V370 A372 N400 C402 A415 M420 F445	A350-F417 CarbonylContact C-O 3.59Å; A350-F417 WeakPolarHBondContact CA-O 3.39Å; A350-F417 WeakPolarHBondContact CB-O 3.47Å; A351-F417 PolarHBondContact N-O 2.76Å; A351-F417 WeakPolarHBondContact O-CA 3.32Å; A351-F417 VanDerWaalsContact O-CB 3.32Å; A351-F417 WeakPolarHBondContact O-CB 3.34Å; A351-F417 PolarHBondContact O-N 2.94Å; V353-F417 HydrophobicContact CG2-CE2 4.19Å; V370-F417 HydrophobicContact CB-CE2 4.26Å; V370-F417 HydrophobicContact CB-CZ 3.9Å; V370-F417 HydrophobicContact CG1-CE2 4.03Å; V370-F417 HydrophobicContact CG1-CZ 3.81Å; A372-F417 HydrophobicContact CB-CE1 4.19Å; A372-F417 HydrophobicContact CB-CZ 4.49Å; N400-F417 WeakPolarHBondContact O-CE1 3.46Å; C402-F417 HydrophobicContact CB-CD1 3.73Å; C402-F417 HydrophobicContact CB-CD2 4.24Å; C402-F417 HydrophobicContact CB-CE1 3.4Å; C402-F417 HydrophobicContact CB-CE2 3.94Å; C402-F417 HydrophobicContact CB-CG 4.14Å; C402-F417 HydrophobicContact CB-CZ 3.52Å; A415-F417 HydrophobicContact CB-CE2 4.02Å; F417-M420 HydrophobicContact CB-CE 3.37Å; F417-M420 HydrophobicContact CB-CG 3.95Å; F417-M420 HydrophobicContact CB-SD 3.87Å; F417-M420 HydrophobicContact CD1-CE 4.16Å; F417-M420 HydrophobicContact CD1-CG 3.96Å; F417-M420 HydrophobicContact CD1-SD 3.58Å; F417-M420 VanDerWaalsContact CD1-SD 3.58Å; F417-M420 HydrophobicContact CE1-SD 4.34Å; F417-M420 HydrophobicContact CG-CE 3.8Å; F417-M420 HydrophobicContact CG-CG 4.36Å; F417-M420 HydrophobicContact CG-SD 3.88Å; F417-F445 HydrophobicContact CD2-CD1 4.46Å; F417-F445 AromaticContact CD2-CE1 3.89Å; F417-F445 HydrophobicContact CD2-CE1 3.89Å; F417-F445 AromaticContact CE2-CD1 3.82Å; F417-F445 HydrophobicContact CE2-CD1 3.82Å; F417-F445 AromaticContact CE2-CE1 3.7Å; F417-F445 HydrophobicContact CE2-CE1 3.7Å; F417-F445 HydrophobicContact CG-CE1 4.45Å; F417-F445 HydrophobicContact CZ-CD1 4.05Å; F417-F445 HydrophobicContact CZ-CE1 4.1Å
418	R	86.1	Confident	79.3	Confident	178 Å²	178	66.2 Å²	66.2	67%	0.672	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	-30.8	-177.2	-60.9	-177.2	-173.7	171.5	3.9	114.1	H416	H416-R418 PolarHBondContact O-N 2.93Å
419	N	86.8	Confident	78.1	Confident	89 Å²	89	66.3 Å²	66.3	48%	0.476	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	36.2	-164.6	-69.4	-39.7	0	0	0	113.1	N399	N399-N419 PolarHBondContact ND2-O 2.89Å
420	M	90.5	Very high	77.3	Confident	1 Å²	1	67.2 Å²	67.2	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	145.4	174.2	-73.1	-171.5	-68.9	0	0	110.3	K348 F349 A351 A372 I397 L398 N399 F417 F445	K348-M420 CarbonylContact C-O 3.37Å; K348-M420 VanDerWaalsContact CA-O 3.29Å; K348-M420 WeakPolarHBondContact CA-O 3.39Å; F349-M420 HydrophobicContact CD1-CB 4.19Å; F349-M420 VanDerWaalsContact CD1-O 3.3Å; F349-M420 WeakPolarHBondContact CD1-O 3.43Å; F349-M420 HydrophobicContact CD2-CB 4.14Å; F349-M420 HydrophobicContact CD2-CE 3.99Å; F349-M420 HydrophobicContact CE1-CB 3.8Å; F349-M420 HydrophobicContact CE2-CB 3.74Å; F349-M420 HydrophobicContact CE2-CE 3.46Å; F349-M420 VanDerWaalsContact CE2-CE 3.46Å; F349-M420 HydrophobicContact CE2-SD 4.11Å; F349-M420 HydrophobicContact CG-CB 4.35Å; F349-M420 HydrophobicContact CZ-CB 3.55Å; F349-M420 HydrophobicContact CZ-CE 4.25Å; F349-M420 HydrophobicContact CZ-SD 4.32Å; F349-M420 PolarHBondContact N-O 3.35Å; F349-M420 PolarHBondContact O-N 3.46Å; A351-M420 HydrophobicContact CB-CE 3.73Å; A372-M420 HydrophobicContact CB-SD 3.78Å; I397-M420 HydrophobicContact CG2-CB 4.11Å; I397-M420 HydrophobicContact CG2-CG 4.27Å; I397-M420 HydrophobicContact CG2-SD 4.32Å; L398-M420 WeakPolarHBondContact O-CA 3.12Å; N399-M420 WeakPolarHBondContact O-CG 3.46Å; F417-M420 HydrophobicContact CB-CE 3.37Å; F417-M420 HydrophobicContact CB-CG 3.95Å; F417-M420 HydrophobicContact CB-SD 3.87Å; F417-M420 HydrophobicContact CD1-CE 4.16Å; F417-M420 HydrophobicContact CD1-CG 3.96Å; F417-M420 HydrophobicContact CD1-SD 3.58Å; F417-M420 VanDerWaalsContact CD1-SD 3.58Å; F417-M420 HydrophobicContact CE1-SD 4.34Å; F417-M420 HydrophobicContact CG-CE 3.8Å; F417-M420 HydrophobicContact CG-CG 4.36Å; F417-M420 HydrophobicContact CG-SD 3.88Å; M420-F445 HydrophobicContact CE-CE1 4.35Å; M420-F445 HydrophobicContact CE-CZ 4.34Å
421	S	86	Confident	76	Confident	16 Å²	16	75.1 Å²	75.1	11%	0.112	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	132.3	175.9	-178.9	0	0	0	0	111.2	I397 L398	I397-S421 WeakPolarHBondContact CA-O 3.48Å; L398-S421 PolarHBondContact N-O 2.9Å; L398-S421 PolarHBondContact O-N 2.98Å
422	L	85.9	Confident	75.1	Confident	3 Å²	3	77.6 Å²	77.6	2%	0.016	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	113.8	-179.9	-175.8	67.4	0	0	0	110	Q346 F349 I374 I397 I425 V469	Q346-L422 PolarHBondContact N-O 3.22Å; F349-L422 HydrophobicContact CE1-CB 4.44Å; I374-L422 HydrophobicContact CD1-CD1 4.03Å; I374-L422 HydrophobicContact CD1-CD2 4.04Å; I374-L422 HydrophobicContact CG2-CD1 4.05Å; I397-L422 HydrophobicContact CG1-CD1 3.95Å; L422-I425 HydrophobicContact CD2-CD1 4.48Å; L422-V469 HydrophobicContact CD2-CB 4.27Å; L422-V469 HydrophobicContact CD2-CG1 3.5Å; L422-V469 VanDerWaalsContact CD2-CG1 3.5Å; L422-V469 HydrophobicContact CD2-CG2 3.7Å
423	K	80.3	Confident	73.8	Confident	103 Å²	103	82 Å²	82	45%	0.448	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-48.7	-175.4	-168.9	-176.8	180	-178.6	0	112.4	E396 L398	E396-K423 HydrophobicContact CB-CB 4.49Å; E396-K423 PolarHBondContact O-N 2.96Å; L398-K423 HydrophobicContact CD1-CB 4.45Å; L398-K423 HydrophobicContact CD2-CD 4.43Å; L398-K423 HydrophobicContact CG-CB 4.37Å
424	R	73.8	Confident	72.6	Confident	172 Å²	172	88.2 Å²	88.2	65%	0.649	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.4	150.9	-176.9	-69.3	-177.8	-178.8	177.3	-0.6	110.5	G395 E396	G395-R424 CarbonylContact C-O 3.54Å; G395-R424 WeakPolarHBondContact CA-O 3.34Å; E396-R424 PolarHBondContact N-O 3.37Å
425	I	77.8	Confident	71.5	Confident	32 Å²	32	90.1 Å²	90.1	16%	0.164	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	131.6	175.3	-161.8	162.8	0	0	0	109.6	I374 S394 L422 R427 F441 V469	I374-I425 HydrophobicContact CD1-CD1 3.9Å; S394-I425 CarbonylContact O-C 3.53Å; S394-I425 WeakPolarHBondContact O-CA 3.4Å; S394-I425 WeakPolarHBondContact O-CG1 3.35Å; L422-I425 HydrophobicContact CD2-CD1 4.48Å; I425-R427 HydrophobicContact CG2-CG 4.32Å; I425-F441 HydrophobicContact CD1-CD1 3.68Å; I425-F441 HydrophobicContact CD1-CD2 3.65Å; I425-F441 HydrophobicContact CD1-CE1 3.47Å; I425-F441 VanDerWaalsContact CD1-CE1 3.47Å; I425-F441 HydrophobicContact CD1-CE2 3.45Å; I425-F441 VanDerWaalsContact CD1-CE2 3.45Å; I425-F441 HydrophobicContact CD1-CG 3.77Å; I425-F441 HydrophobicContact CD1-CZ 3.36Å; I425-F441 HydrophobicContact CG1-CD1 4.37Å; I425-F441 HydrophobicContact CG1-CE1 3.86Å; I425-F441 HydrophobicContact CG1-CE2 4.46Å; I425-F441 HydrophobicContact CG1-CZ 3.92Å; I425-V469 HydrophobicContact CD1-CB 3.87Å; I425-V469 HydrophobicContact CD1-CG1 4.07Å; I425-V469 HydrophobicContact CD1-CG2 3.71Å; I425-V469 HydrophobicContact CG2-CG1 4.38Å
426	K	68.8	Low	70.3	Confident	159 Å²	159	91.5 Å²	91.5	69%	0.691	45%	0.451	S	S	*	.			trans	-87.4	122.5	171.8	-67.3	-179.3	-179.9	176.1	0	107.5	S394	S394-K426 PolarHBondContact O-N 3.46Å
427	R	66.9	Low	69.4	Low	92 Å²	92	89.1 Å²	89.1	35%	0.347	44%	0.44	S	S	.	.			trans	-105.7	144.2	178.2	-61.9	-177.8	176.9	153.7	-3.7	109.3	I425 V436 E439	I425-R427 HydrophobicContact CG2-CG 4.32Å; R427-V436 VanDerWaalsContact CZ-CG1 3.43Å; R427-E439 WeakPolarHBondContact CD-OE2 3.4Å; R427-E439 WeakPolarHBondContact CG-OE2 3.37Å; R427-E439 IonicContact NE-OE2 2.61Å
428	S	60.6	Low	68.7	Low	90 Å²	90	90.2 Å²	90.2	63%	0.629	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-68.5	144.5	173.3	39.5	0	0	0	0	111.1	R430	S428-R430 PolarHBondContact O-N 3.34Å
429	D	46.1	Very low	68.4	Low	172 Å²	172	83.7 Å²	83.7	92%	0.92	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-62.6	127.5	176.1	-109.2	-20.6	0	0	0	110.6
430	R	54.9	Low	68.3	Low	138 Å²	138	80.5 Å²	80.5	52%	0.521	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-72.3	141.6	-170.8	-66.6	-173.3	178.2	159.8	6.1	112.8	S428	S428-R430 PolarHBondContact O-N 3.34Å
431	R	41.3	Very low	68	Low	244 Å²	244	80.8 Å²	80.8	92%	0.921	41%	0.405	S	S	*	.			trans	-120.4	96.3	158.6	-68.2	-173.8	-179	-173.1	1.1	109.2
432	G	52.8	Low	68.1	Low	65 Å²	65	80.1 Å²	80.1	67%	0.67	40%	0.401	S	S	*	.	S	Bend	trans	113.8	-157.1	167.5	0	0	0	0	0	117.2	E434	G432-E434 PolarHBondContact O-N 3.49Å
433	A	49.9	Very low	68.2	Low	102 Å²	102	80 Å²	80	84%	0.843	40%	0.4	S	S	*	.	S	Bend	trans	-87.3	17.2	-168.8	0	0	0	0	0	115.4
434	E	59.5	Low	68.7	Low	131 Å²	131	75.6 Å²	75.6	61%	0.612	38%	0.381	S	S	*	.			trans	-80.2	136.9	-178.7	-65.1	-179.4	160.6	0	0	111.7	G432	G432-E434 PolarHBondContact O-N 3.49Å
435	S	63.6	Low	69.5	Low	43 Å²	43	67.4 Å²	67.4	30%	0.301	35%	0.35	S	S	.	.			trans	-87.9	152.1	-175.7	68.7	0	0	0	0	112	T437 E438	S435-T437 PolarHBondContact O-N 3.11Å; S435-T437 PolarHBondContact OG-OG1 2.96Å; S435-T437 VanDerWaalsContact OG-OG1 3.08Å; S435-E438 PolarHBondContact N-OE2 3.34Å; S435-E438 PolarHBondContact O-N 3.14Å; S435-E438 VanDerWaalsContact OG-CG 3.27Å; S435-E438 WeakPolarHBondContact OG-CG 2.98Å; S435-E438 PolarHBondContact OG-OE2 3.46Å; S435-E438 VanDerWaalsContact OG-OE2 3.09Å
436	V	64.1	Low	70.1	Confident	29 Å²	29	67.7 Å²	67.7	18%	0.176	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-51.2	-34.1	175.3	-174.6	0	0	0	0	111.7	R427 E438 E439	R427-V436 VanDerWaalsContact CZ-CG1 3.43Å; V436-E438 PolarHBondContact O-N 2.73Å; V436-E439 PolarHBondContact O-N 3.36Å
437	T	71.9	Confident	71	Confident	6 Å²	6	60.3 Å²	60.3	4%	0.037	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-80.7	-1.8	-173.7	44.6	0	0	0	0	113.7	S435 V468 Q475 N478 T482	S435-T437 PolarHBondContact O-N 3.11Å; S435-T437 PolarHBondContact OG-OG1 2.96Å; S435-T437 VanDerWaalsContact OG-OG1 3.08Å; T437-V468 WeakPolarHBondContact O-CG1 3.49Å; T437-Q475 HydrophobicContact CG2-CB 3.74Å; T437-Q475 HydrophobicContact CG2-CG 4.31Å; T437-N478 HydrophobicContact CG2-CB 4.09Å; T437-T482 PolarHBondContact O-OG1 2.73Å
438	E	75.5	Confident	72	Confident	30 Å²	30	61.5 Å²	61.5	14%	0.14	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-101.2	-12.3	173.8	-69.9	167.2	150.7	0	0	112.1	S435 V436 K440 W556 R561	S435-E438 PolarHBondContact N-OE2 3.34Å; S435-E438 PolarHBondContact O-N 3.14Å; S435-E438 VanDerWaalsContact OG-CG 3.27Å; S435-E438 WeakPolarHBondContact OG-CG 2.98Å; S435-E438 PolarHBondContact OG-OE2 3.46Å; S435-E438 VanDerWaalsContact OG-OE2 3.09Å; V436-E438 PolarHBondContact O-N 2.73Å; E438-K440 PolarHBondContact O-N 2.99Å; E438-W556 HydrophobicContact CG-CZ2 4.29Å; E438-W556 PolarHBondContact OE1-NE1 3.35Å; E438-R561 IonicContact OE1-CZ 3.36Å; E438-R561 VanDerWaalsContact OE1-CZ 3.3Å; E438-R561 IonicContact OE1-NE 3.15Å; E438-R561 PolarHBondContact OE1-NE 2.92Å; E438-R561 IonicContact OE1-NH2 2.67Å; E438-R561 PolarHBondContact OE1-NH2 2.73Å; E438-R561 VanDerWaalsContact OE1-NH2 3.07Å; E438-R561 IonicContact OE2-CZ 3.65Å; E438-R561 IonicContact OE2-NE 2.64Å; E438-R561 IonicContact OE2-NH2 3.55Å; E438-R561 PolarHBondContact OE2-NH2 2.79Å
439	E	79.3	Confident	73.1	Confident	40 Å²	40	57.9 Å²	57.9	19%	0.187	30%	0.302	C	S	.	.			trans	-69	115.1	175	-71.3	177.6	-152.5	0	0	110.3	R427 V436 F441	R427-E439 WeakPolarHBondContact CD-OE2 3.4Å; R427-E439 WeakPolarHBondContact CG-OE2 3.37Å; R427-E439 IonicContact NE-OE2 2.61Å; V436-E439 PolarHBondContact O-N 3.36Å; E439-F441 HydrophobicContact CB-CE2 3.95Å; E439-F441 HydrophobicContact CB-CZ 4.33Å
440	K	84	Confident	74.8	Confident	22 Å²	22	51.7 Å²	51.7	10%	0.096	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	134.8	179.4	-59.3	176.5	-171.6	172.4	0	110.9	E438 P466 T482 D486 F497	E438-K440 PolarHBondContact O-N 2.99Å; K440-P466 HydrophobicContact CB-CB 4.43Å; K440-P466 HydrophobicContact CD-CB 4.29Å; K440-T482 HydrophobicContact CG-CG2 4.24Å; K440-D486 IonicContact NZ-OD2 2.79Å; K440-D486 PolarHBondContact NZ-OD2 3.49Å; K440-F497 HydrophobicContact CB-CD1 3.43Å; K440-F497 VanDerWaalsContact CB-CD1 3.43Å; K440-F497 HydrophobicContact CB-CE1 3.63Å; K440-F497 HydrophobicContact CB-CG 4.37Å; K440-F497 HydrophobicContact CD-CB 4.29Å; K440-F497 HydrophobicContact CD-CD1 3.69Å; K440-F497 HydrophobicContact CD-CG 4.46Å; K440-F497 HydrophobicContact CG-CD1 4.2Å
441	F	85.1	Confident	75.9	Confident	8 Å²	8	45.2 Å²	45.2	4%	0.035	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	165.6	172.9	-60.4	-85.4	0	0	0	109.4	I374 I375 I425 E439 P466 V467 V469	I374-F441 HydrophobicContact CD1-CB 3.94Å; I374-F441 HydrophobicContact CD1-CD1 4.5Å; I374-F441 HydrophobicContact CD1-CG 4.24Å; I374-F441 HydrophobicContact CG1-CB 3.96Å; I374-F441 HydrophobicContact CG1-CD1 4.45Å; I374-F441 HydrophobicContact CG1-CG 4.46Å; I375-F441 WeakPolarHBondContact O-CA 3.27Å; I425-F441 HydrophobicContact CD1-CD1 3.68Å; I425-F441 HydrophobicContact CD1-CD2 3.65Å; I425-F441 HydrophobicContact CD1-CE1 3.47Å; I425-F441 VanDerWaalsContact CD1-CE1 3.47Å; I425-F441 HydrophobicContact CD1-CE2 3.45Å; I425-F441 VanDerWaalsContact CD1-CE2 3.45Å; I425-F441 HydrophobicContact CD1-CG 3.77Å; I425-F441 HydrophobicContact CD1-CZ 3.36Å; I425-F441 HydrophobicContact CG1-CD1 4.37Å; I425-F441 HydrophobicContact CG1-CE1 3.86Å; I425-F441 HydrophobicContact CG1-CE2 4.46Å; I425-F441 HydrophobicContact CG1-CZ 3.92Å; E439-F441 HydrophobicContact CB-CE2 3.95Å; E439-F441 HydrophobicContact CB-CZ 4.33Å; F441-P466 WeakPolarHBondContact O-CA 3.44Å; F441-V467 PolarHBondContact N-O 3.26Å; F441-V467 PolarHBondContact O-N 3.01Å; F441-V469 HydrophobicContact CD2-CB 4.28Å; F441-V469 HydrophobicContact CD2-CG2 3.91Å; F441-V469 HydrophobicContact CE2-CB 4.45Å; F441-V469 HydrophobicContact CG-CG2 4.46Å
442	T	87.3	Confident	77	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.012	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	151.8	167.8	177.9	0	0	0	0	109.4	I375 A380 L463 S464 F497	I375-T442 HydrophobicContact CD1-CG2 3.67Å; I375-T442 HydrophobicContact CG1-CG2 3.42Å; I375-T442 VanDerWaalsContact CG1-CG2 3.42Å; I375-T442 WeakPolarHBondContact CG1-O 3.47Å; I375-T442 PolarHBondContact N-O 3.01Å; I375-T442 PolarHBondContact O-N 3.26Å; A380-T442 HydrophobicContact CB-CG2 4.15Å; T442-L463 HydrophobicContact CG2-CD2 4Å; T442-S464 PolarHBondContact OG1-N 2.91Å; T442-S464 PolarHBondContact OG1-O 3.37Å; T442-S464 PolarHBondContact OG1-OG 3.44Å; T442-F497 HydrophobicContact CG2-CE2 4.19Å; T442-F497 HydrophobicContact CG2-CZ 3.68Å
443	I	89.2	Confident	77.8	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	113.5	173.1	-61.1	169.8	0	0	0	107.2	P339 L343 F349 A372 T373 I397 F445 S464	P339-I443 HydrophobicContact CB-CD1 3.95Å; P339-I443 HydrophobicContact CG-CD1 3.93Å; L343-I443 HydrophobicContact CD1-CD1 4.12Å; F349-I443 HydrophobicContact CE2-CD1 3.65Å; F349-I443 HydrophobicContact CZ-CD1 3.96Å; A372-I443 HydrophobicContact CB-CG2 4.04Å; T373-I443 CarbonylContact O-C 3.42Å; T373-I443 WeakPolarHBondContact O-CA 3.46Å; I397-I443 HydrophobicContact CD1-CG2 4.48Å; I443-F445 HydrophobicContact CB-CE2 4.11Å; I443-F445 HydrophobicContact CB-CZ 4.47Å; I443-F445 HydrophobicContact CG2-CD2 4.12Å; I443-F445 HydrophobicContact CG2-CE1 4.21Å; I443-F445 HydrophobicContact CG2-CE2 3.59Å; I443-F445 HydrophobicContact CG2-CZ 3.65Å; I443-S464 PolarHBondContact N-OG 3.08Å; I443-S464 PolarHBondContact O-N 3.26Å
444	L	90.1	Very high	78.6	Confident	10 Å²	10	38.1 Å²	38.1	5%	0.052	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	119.8	170.6	170	67.3	0	0	0	108.9	A372 T373 I375 L383 K461 L463	A372-L444 CarbonylContact C-O 3.52Å; A372-L444 WeakPolarHBondContact CA-O 3.45Å; T373-L444 PolarHBondContact N-O 3.32Å; T373-L444 PolarHBondContact O-N 2.88Å; T373-L444 PolarHBondContact OG1-O 2.87Å; I375-L444 HydrophobicContact CD1-CB 4.08Å; I375-L444 HydrophobicContact CG1-CB 4.34Å; I375-L444 HydrophobicContact CG2-CB 4.49Å; L383-L444 HydrophobicContact CD1-CD2 3.99Å; L444-K461 HydrophobicContact CD1-CB 3.92Å; L444-K461 HydrophobicContact CD1-CD 4.47Å; L444-K461 HydrophobicContact CD1-CG 4.26Å; L444-L463 HydrophobicContact CB-CD2 3.88Å; L444-L463 HydrophobicContact CD1-CD2 3.69Å; L444-L463 HydrophobicContact CG-CD2 4.36Å
445	F	90.8	Very high	79	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	122.6	167	-62.2	-90.5	0	0	0	108.5	F333 I335 A351 V353 V370 K371 A372 F417 M420 I443 K461 T462	F333-F445 HydrophobicContact CE1-CB 4.2Å; F333-F445 HydrophobicContact CZ-CB 4.38Å; I335-F445 HydrophobicContact CD1-CD2 3.8Å; I335-F445 HydrophobicContact CD1-CE2 3.84Å; I335-F445 HydrophobicContact CG1-CD2 4.14Å; I335-F445 HydrophobicContact CG1-CE2 4.28Å; A351-F445 HydrophobicContact CB-CZ 3.85Å; V353-F445 HydrophobicContact CG2-CB 4.24Å; V353-F445 HydrophobicContact CG2-CD1 3.53Å; V353-F445 HydrophobicContact CG2-CD2 4.07Å; V353-F445 HydrophobicContact CG2-CE1 3.77Å; V353-F445 HydrophobicContact CG2-CE2 4.29Å; V353-F445 HydrophobicContact CG2-CG 3.68Å; V353-F445 HydrophobicContact CG2-CZ 4.14Å; V370-F445 HydrophobicContact CG1-CB 4.08Å; V370-F445 HydrophobicContact CG1-CD1 4.12Å; K371-F445 WeakPolarHBondContact O-CA 3.49Å; A372-F445 HydrophobicContact CB-CD1 3.84Å; A372-F445 HydrophobicContact CB-CE1 3.69Å; A372-F445 HydrophobicContact CB-CZ 4.49Å; F417-F445 HydrophobicContact CD2-CD1 4.46Å; F417-F445 AromaticContact CD2-CE1 3.89Å; F417-F445 HydrophobicContact CD2-CE1 3.89Å; F417-F445 AromaticContact CE2-CD1 3.82Å; F417-F445 HydrophobicContact CE2-CD1 3.82Å; F417-F445 AromaticContact CE2-CE1 3.7Å; F417-F445 HydrophobicContact CE2-CE1 3.7Å; F417-F445 HydrophobicContact CG-CE1 4.45Å; F417-F445 HydrophobicContact CZ-CD1 4.05Å; F417-F445 HydrophobicContact CZ-CE1 4.1Å; M420-F445 HydrophobicContact CE-CE1 4.35Å; M420-F445 HydrophobicContact CE-CZ 4.34Å; I443-F445 HydrophobicContact CB-CE2 4.11Å; I443-F445 HydrophobicContact CB-CZ 4.47Å; I443-F445 HydrophobicContact CG2-CD2 4.12Å; I443-F445 HydrophobicContact CG2-CE1 4.21Å; I443-F445 HydrophobicContact CG2-CE2 3.59Å; I443-F445 HydrophobicContact CG2-CZ 3.65Å; F445-K461 WeakPolarHBondContact O-CA 3.34Å; F445-T462 HydrophobicContact CB-CG2 3.93Å; F445-T462 HydrophobicContact CD2-CG2 4.42Å; F445-T462 PolarHBondContact N-O 3.36Å; F445-T462 PolarHBondContact O-N 2.9Å
446	E	89.9	Confident	79.7	Confident	37 Å²	37	35.1 Å²	35.1	17%	0.173	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	140.7	176.1	64.9	-178.4	177.3	0	0	110.3	V370 K371 V460 K461	V370-E446 WeakPolarHBondContact CA-O 3.22Å; K371-E446 HydrophobicContact CB-CG 3.9Å; K371-E446 WeakPolarHBondContact CD-OE1 3.33Å; K371-E446 HydrophobicContact CG-CG 4.28Å; K371-E446 PolarHBondContact N-O 3.45Å; K371-E446 IonicContact NZ-OE1 3.07Å; K371-E446 PolarHBondContact NZ-OE1 3.22Å; K371-E446 PolarHBondContact O-N 2.87Å; E446-V460 WeakPolarHBondContact CA-O 3.48Å; E446-K461 HydrophobicContact CB-CG 4.29Å
447	S	89.1	Confident	80.6	Confident	5 Å²	5	37.9 Å²	37.9	4%	0.035	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	152.9	172.4	-167.2	0	0	0	0	110.4	Q369 Q459 V460	Q369-S447 PolarHBondContact O-OG 3.22Å; S447-Q459 WeakPolarHBondContact O-CA 3.39Å; S447-V460 PolarHBondContact N-O 2.94Å; S447-V460 PolarHBondContact O-N 3.37Å
448	Q	87.1	Confident	81.2	Confident	117 Å²	117	38.3 Å²	38.3	55%	0.547	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	129.2	176.9	-175.1	179.4	2.1	0	0	109	P368 V457 F458	P368-Q448 WeakPolarHBondContact CB-O 3.32Å; Q448-V457 HydrophobicContact CG-CG1 4.03Å; Q448-V457 VanDerWaalsContact NE2-CG1 3.3Å; Q448-F458 WeakPolarHBondContact CA-O 3.2Å
449	F	84.3	Confident	81.7	Confident	13 Å²	13	40.6 Å²	40.6	6%	0.057	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	160.8	176.1	58	-89.9	0	0	0	111.2	V329 L355 V363 P368 V451 F458 V460	V329-F449 HydrophobicContact CG1-CE1 4.47Å; V329-F449 HydrophobicContact CG1-CE2 4.05Å; V329-F449 HydrophobicContact CG1-CZ 3.52Å; L355-F449 HydrophobicContact CD1-CZ 4.42Å; L355-F449 HydrophobicContact CD2-CE1 4Å; L355-F449 HydrophobicContact CD2-CE2 4.22Å; L355-F449 HydrophobicContact CD2-CZ 3.58Å; V363-F449 HydrophobicContact CB-CD2 4.43Å; V363-F449 HydrophobicContact CG1-CB 4.2Å; V363-F449 HydrophobicContact CG1-CD1 4.5Å; V363-F449 HydrophobicContact CG1-CD2 3.7Å; V363-F449 HydrophobicContact CG1-CE2 4.11Å; V363-F449 HydrophobicContact CG1-CG 3.91Å; V363-F449 HydrophobicContact CG2-CD2 3.77Å; V363-F449 HydrophobicContact CG2-CE2 3.68Å; P368-F449 HydrophobicContact CB-CB 3.78Å; P368-F449 HydrophobicContact CB-CD1 4.42Å; P368-F449 HydrophobicContact CG-CB 3.91Å; P368-F449 HydrophobicContact CG-CD1 4.06Å; P368-F449 HydrophobicContact CG-CG 4.25Å; F449-V451 HydrophobicContact CD2-CG2 3.64Å; F449-V451 HydrophobicContact CE2-CG2 3.5Å; F449-V451 VanDerWaalsContact CE2-CG2 3.5Å; F449-F458 PolarHBondContact N-O 2.98Å; F449-F458 VanDerWaalsContact N-O 3.1Å; F449-F458 PolarHBondContact O-N 2.98Å; F449-V460 HydrophobicContact CD1-CG2 4.49Å; F449-V460 HydrophobicContact CE1-CG1 3.95Å; F449-V460 HydrophobicContact CE1-CG2 3.84Å; F449-V460 HydrophobicContact CZ-CG1 4.25Å
450	S	81.3	Confident	82.1	Confident	43 Å²	43	38.7 Å²	38.7	30%	0.301	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	142.6	173.5	62.5	0	0	0	0	111.7	N454 L456	S450-N454 WeakPolarHBondContact CB-OD1 3.38Å; S450-N454 PolarHBondContact OG-OD1 2.91Å; S450-L456 CarbonylContact C-O 3.08Å; S450-L456 WeakPolarHBondContact CA-O 3.09Å
451	V	77.6	Confident	82.3	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.012	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	139.5	-178.7	-177.5	0	0	0	0	109.1	W288 L361 V363 F449 L456 F458	W288-V451 HydrophobicContact CE3-CG1 4.5Å; W288-V451 HydrophobicContact CH2-CG1 3.71Å; W288-V451 HydrophobicContact CZ2-CG1 4.43Å; W288-V451 HydrophobicContact CZ3-CG1 3.73Å; L361-V451 HydrophobicContact CB-CG1 3.98Å; L361-V451 HydrophobicContact CD1-CG1 4.38Å; L361-V451 HydrophobicContact CD2-CG1 4.15Å; L361-V451 HydrophobicContact CG-CG1 4.4Å; V363-V451 HydrophobicContact CG2-CG2 4.03Å; F449-V451 HydrophobicContact CD2-CG2 3.64Å; F449-V451 HydrophobicContact CE2-CG2 3.5Å; F449-V451 VanDerWaalsContact CE2-CG2 3.5Å; V451-L456 PolarHBondContact N-O 3.47Å; V451-L456 PolarHBondContact O-N 3.31Å; V451-F458 HydrophobicContact CB-CD2 4.3Å; V451-F458 HydrophobicContact CB-CE2 4.07Å; V451-F458 HydrophobicContact CG2-CD2 3.77Å; V451-F458 HydrophobicContact CG2-CE2 3.96Å
452	G	65.8	Low	82.5	Confident	19 Å²	19	42.6 Å²	42.6	20%	0.196	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	72.2	176.1	0	0	0	0	0	113.5	N454 E455	G452-N454 PolarHBondContact O-N 2.98Å; G452-N454 VanDerWaalsContact O-N 3.12Å; G452-E455 WeakPolarHBondContact O-CB 3.31Å; G452-E455 WeakPolarHBondContact O-CG 3.13Å; G452-E455 PolarHBondContact O-N 3.33Å; G452-E455 VanDerWaalsContact O-N 3.09Å
453	S	67.6	Low	82.5	Confident	126 Å²	126	45.3 Å²	45.3	88%	0.881	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	39.2	176.9	-56.4	0	0	0	0	114.1
454	N	66.8	Low	82.5	Confident	116 Å²	116	45.6 Å²	45.6	62%	0.62	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.7	18.8	178.7	-152.3	44.5	0	0	0	116.6	S450 G452	S450-N454 WeakPolarHBondContact CB-OD1 3.38Å; S450-N454 PolarHBondContact OG-OD1 2.91Å; G452-N454 PolarHBondContact O-N 2.98Å; G452-N454 VanDerWaalsContact O-N 3.12Å
455	E	69.1	Low	82.4	Confident	88 Å²	88	46.5 Å²	46.5	41%	0.411	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-34.4	-177.8	-67.2	175.7	156.7	0	0	114.2	R295 G452	R295-E455 IonicContact CZ-OE1 2.66Å; R295-E455 IonicContact CZ-OE2 3.04Å; R295-E455 IonicContact NE-OE2 3.96Å; R295-E455 IonicContact NH1-OE1 2.69Å; R295-E455 PolarHBondContact NH1-OE1 3.32Å; R295-E455 IonicContact NH1-OE2 3.01Å; R295-E455 PolarHBondContact NH1-OE2 3.13Å; R295-E455 VanDerWaalsContact NH1-OE2 3.15Å; R295-E455 IonicContact NH2-OE1 2.87Å; R295-E455 IonicContact NH2-OE2 2.73Å; R295-E455 PolarHBondContact NH2-OE2 3.25Å; G452-E455 WeakPolarHBondContact O-CB 3.31Å; G452-E455 WeakPolarHBondContact O-CG 3.13Å; G452-E455 PolarHBondContact O-N 3.33Å; G452-E455 VanDerWaalsContact O-N 3.09Å
456	L	77.9	Confident	82.2	Confident	24 Å²	24	47.1 Å²	47.1	13%	0.126	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	121.2	-179.4	-67	171.8	0	0	0	109.4	W288 T322 S450 V451 F458	W288-L456 HydrophobicContact CZ3-CD1 4.46Å; T322-L456 HydrophobicContact CG2-CD2 3.97Å; S450-L456 CarbonylContact C-O 3.08Å; S450-L456 WeakPolarHBondContact CA-O 3.09Å; V451-L456 PolarHBondContact N-O 3.47Å; V451-L456 PolarHBondContact O-N 3.31Å; L456-F458 HydrophobicContact CB-CD2 4.28Å; L456-F458 HydrophobicContact CB-CE2 3.52Å; L456-F458 HydrophobicContact CB-CZ 3.84Å; L456-F458 HydrophobicContact CD1-CE2 4.13Å; L456-F458 HydrophobicContact CD1-CZ 3.95Å; L456-F458 HydrophobicContact CG-CE2 4.43Å; L456-F458 HydrophobicContact CG-CZ 4.39Å
457	V	83.4	Confident	82.1	Confident	87 Å²	87	45.4 Å²	45.4	53%	0.527	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	118.1	175.7	-178.1	0	0	0	0	108.5	Q448	Q448-V457 HydrophobicContact CG-CG1 4.03Å; Q448-V457 VanDerWaalsContact NE2-CG1 3.3Å
458	F	83.8	Confident	82	Confident	15 Å²	15	45.2 Å²	45.2	7%	0.066	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	136.6	178.2	-65.5	-74	0	0	0	110.3	I325 V329 Q448 F449 V451 L456	I325-F458 HydrophobicContact CG2-CE1 4.44Å; I325-F458 HydrophobicContact CG2-CE2 4.09Å; I325-F458 HydrophobicContact CG2-CZ 3.59Å; V329-F458 HydrophobicContact CG1-CB 4.09Å; V329-F458 HydrophobicContact CG1-CD1 4.45Å; V329-F458 HydrophobicContact CG1-CD2 4.29Å; V329-F458 HydrophobicContact CG1-CG 4.02Å; V329-F458 HydrophobicContact CG2-CE2 4.49Å; Q448-F458 WeakPolarHBondContact CA-O 3.2Å; F449-F458 PolarHBondContact N-O 2.98Å; F449-F458 VanDerWaalsContact N-O 3.1Å; F449-F458 PolarHBondContact O-N 2.98Å; V451-F458 HydrophobicContact CB-CD2 4.3Å; V451-F458 HydrophobicContact CB-CE2 4.07Å; V451-F458 HydrophobicContact CG2-CD2 3.77Å; V451-F458 HydrophobicContact CG2-CE2 3.96Å; L456-F458 HydrophobicContact CB-CD2 4.28Å; L456-F458 HydrophobicContact CB-CE2 3.52Å; L456-F458 HydrophobicContact CB-CZ 3.84Å; L456-F458 HydrophobicContact CD1-CE2 4.13Å; L456-F458 HydrophobicContact CD1-CZ 3.95Å; L456-F458 HydrophobicContact CG-CE2 4.43Å; L456-F458 HydrophobicContact CG-CZ 4.39Å
459	Q	85.3	Confident	81.9	Confident	78 Å²	78	39.8 Å²	39.8	36%	0.364	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	107.5	166	-164.2	178.7	5.3	0	0	107.8	S447	S447-Q459 WeakPolarHBondContact O-CA 3.39Å
460	V	88.1	Confident	82	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	141.1	-179.8	-62.8	0	0	0	0	110.2	V329 F333 E446 S447 F449	V329-V460 HydrophobicContact CG1-CG1 3.72Å; F333-V460 HydrophobicContact CB-CB 4.01Å; F333-V460 HydrophobicContact CB-CG1 4.41Å; F333-V460 HydrophobicContact CB-CG2 4.21Å; F333-V460 HydrophobicContact CD1-CB 3.85Å; F333-V460 HydrophobicContact CD1-CG2 3.67Å; F333-V460 HydrophobicContact CD2-CG2 3.86Å; F333-V460 HydrophobicContact CE1-CB 4.44Å; F333-V460 HydrophobicContact CE1-CG2 3.88Å; F333-V460 HydrophobicContact CE2-CG2 4.06Å; F333-V460 HydrophobicContact CG-CB 3.91Å; F333-V460 HydrophobicContact CG-CG2 3.65Å; F333-V460 HydrophobicContact CZ-CG2 4.06Å; E446-V460 WeakPolarHBondContact CA-O 3.48Å; S447-V460 PolarHBondContact N-O 2.94Å; S447-V460 PolarHBondContact O-N 3.37Å; F449-V460 HydrophobicContact CD1-CG2 4.49Å; F449-V460 HydrophobicContact CE1-CG1 3.95Å; F449-V460 HydrophobicContact CE1-CG2 3.84Å; F449-V460 HydrophobicContact CZ-CG1 4.25Å
461	K	88.8	Confident	82.1	Confident	93 Å²	93	41 Å²	41	40%	0.404	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	132.2	179.5	-69.8	-178.8	-174	174.7	0	108.6	L444 F445 E446	L444-K461 HydrophobicContact CD1-CB 3.92Å; L444-K461 HydrophobicContact CD1-CD 4.47Å; L444-K461 HydrophobicContact CD1-CG 4.26Å; F445-K461 WeakPolarHBondContact O-CA 3.34Å; E446-K461 HydrophobicContact CB-CG 4.29Å
462	T	88.7	Confident	82.1	Confident	18 Å²	18	46.7 Å²	46.7	11%	0.11	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	142.2	174.1	-160.4	0	0	0	0	110	F333 I335 V353 F445	F333-T462 HydrophobicContact CD1-CG2 3.54Å; F333-T462 HydrophobicContact CE1-CG2 3.5Å; F333-T462 VanDerWaalsContact CE1-CG2 3.5Å; F333-T462 HydrophobicContact CG-CG2 4.48Å; F333-T462 HydrophobicContact CZ-CG2 4.41Å; F333-T462 WeakPolarHBondContact O-CB 3.41Å; F333-T462 PolarHBondContact O-OG1 2.88Å; F333-T462 VanDerWaalsContact O-OG1 3.12Å; I335-T462 HydrophobicContact CD1-CG2 4.12Å; I335-T462 HydrophobicContact CG1-CG2 3.79Å; V353-T462 HydrophobicContact CG1-CG2 4.41Å; F445-T462 HydrophobicContact CB-CG2 3.93Å; F445-T462 HydrophobicContact CD2-CG2 4.42Å; F445-T462 PolarHBondContact N-O 3.36Å; F445-T462 PolarHBondContact O-N 2.9Å
463	L	88.8	Confident	82.6	Confident	59 Å²	59	47.8 Å²	47.8	31%	0.309	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	134.8	-177.8	-64.2	177.7	0	0	0	109.2	I375 T442 L444	I375-L463 HydrophobicContact CD1-CD2 3.73Å; T442-L463 HydrophobicContact CG2-CD2 4Å; L444-L463 HydrophobicContact CB-CD2 3.88Å; L444-L463 HydrophobicContact CD1-CD2 3.69Å; L444-L463 HydrophobicContact CG-CD2 4.36Å
464	S	89	Confident	83.1	Confident	7 Å²	7	46 Å²	46	5%	0.049	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-66.6	162.7	168.3	77.7	0	0	0	0	111.2	T442 I443	T442-S464 PolarHBondContact OG1-N 2.91Å; T442-S464 PolarHBondContact OG1-O 3.37Å; T442-S464 PolarHBondContact OG1-OG 3.44Å; I443-S464 PolarHBondContact N-OG 3.08Å; I443-S464 PolarHBondContact O-N 3.26Å
465	L	87.2	Confident	83.7	Confident	29 Å²	29	42.6 Å²	42.6	15%	0.152	24%	0.236	C	C	.	.	S	Bend	trans	-54.4	154.8	163.4	-66.2	176.5	0	0	0	110.4	Q260 Q338 Q341 V467	Q260-L465 HydrophobicContact CB-CD1 4.33Å; Q260-L465 HydrophobicContact CB-CD2 4.21Å; Q260-L465 HydrophobicContact CG-CD1 4.32Å; Q260-L465 HydrophobicContact CG-CD2 4.02Å; Q338-L465 HydrophobicContact CG-CD1 4.08Å; Q338-L465 HydrophobicContact CG-CG 4.35Å; Q341-L465 HydrophobicContact CG-CB 4.49Å; L465-V467 WeakPolarHBondContact O-CG2 3.33Å; L465-V467 PolarHBondContact O-N 3.2Å
466	P	86.1	Confident	84.4	Confident	14 Å²	14	42 Å²	42	9%	0.091	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-54.2	134.6	176.3	-33.2	43.6	0	0	0	112.1	Q341 K440 F441 D486 F497	Q341-P466 PolarHBondContact NE2-O 2.87Å; K440-P466 HydrophobicContact CB-CB 4.43Å; K440-P466 HydrophobicContact CD-CB 4.29Å; F441-P466 WeakPolarHBondContact O-CA 3.44Å; P466-D486 VanDerWaalsContact CG-OD1 3.27Å; P466-D486 WeakPolarHBondContact CG-OD1 3.32Å; P466-F497 HydrophobicContact CB-CD1 3.77Å; P466-F497 HydrophobicContact CB-CE1 3.53Å; P466-F497 HydrophobicContact CG-CD1 3.6Å; P466-F497 HydrophobicContact CG-CE1 3.51Å; P466-F497 HydrophobicContact CG-CZ 4.5Å
467	V	87.9	Confident	84.7	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.006	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	133.5	-178.7	-178.5	0	0	0	0	109.3	P339 Q341 L343 F441 L465	P339-V467 HydrophobicContact CG-CG2 4.39Å; Q341-V467 CarbonylContact O-C 3.37Å; Q341-V467 VanDerWaalsContact O-CA 3.25Å; Q341-V467 WeakPolarHBondContact O-CA 3.27Å; L343-V467 HydrophobicContact CB-CG1 3.96Å; L343-V467 HydrophobicContact CD1-CG1 3.55Å; L343-V467 HydrophobicContact CG-CG1 3.47Å; L343-V467 VanDerWaalsContact CG-CG1 3.47Å; F441-V467 PolarHBondContact N-O 3.26Å; F441-V467 PolarHBondContact O-N 3.01Å; L465-V467 WeakPolarHBondContact O-CG2 3.33Å; L465-V467 PolarHBondContact O-N 3.2Å
468	V	87.8	Confident	84.7	Confident	1 Å²	1	40 Å²	40	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	130.2	172.5	-179	0	0	0	0	109	Q341 V342 L343 T437 I470 A479 T482 V483	Q341-V468 PolarHBondContact O-N 3.31Å; V342-V468 WeakPolarHBondContact CA-O 3.5Å; L343-V468 PolarHBondContact N-O 3.23Å; T437-V468 WeakPolarHBondContact O-CG1 3.49Å; V468-I470 HydrophobicContact CG1-CG2 4.49Å; V468-A479 HydrophobicContact CB-CB 4.06Å; V468-A479 HydrophobicContact CG1-CB 3.6Å; V468-T482 HydrophobicContact CG2-CG2 4.03Å; V468-V483 HydrophobicContact CG2-CG2 3.97Å
469	V	85.1	Confident	84.8	Confident	3 Å²	3	39.3 Å²	39.3	2%	0.018	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	116.5	-177.1	178.1	0	0	0	0	111	L343 T345 I374 L422 I425 F441	L343-V469 HydrophobicContact CB-CG2 4.4Å; L343-V469 CarbonylContact O-C 3.6Å; L343-V469 WeakPolarHBondContact O-CA 3.31Å; T345-V469 HydrophobicContact CG2-CG1 3.91Å; I374-V469 HydrophobicContact CD1-CG2 4.13Å; L422-V469 HydrophobicContact CD2-CB 4.27Å; L422-V469 HydrophobicContact CD2-CG1 3.5Å; L422-V469 VanDerWaalsContact CD2-CG1 3.5Å; L422-V469 HydrophobicContact CD2-CG2 3.7Å; I425-V469 HydrophobicContact CD1-CB 3.87Å; I425-V469 HydrophobicContact CD1-CG1 4.07Å; I425-V469 HydrophobicContact CD1-CG2 3.71Å; I425-V469 HydrophobicContact CG2-CG1 4.38Å; F441-V469 HydrophobicContact CD2-CB 4.28Å; F441-V469 HydrophobicContact CD2-CG2 3.91Å; F441-V469 HydrophobicContact CE2-CB 4.45Å; F441-V469 HydrophobicContact CG-CG2 4.46Å
470	I	86.1	Confident	84.8	Confident	4 Å²	4	36.7 Å²	36.7	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	151.2	179.6	63.8	171.6	0	0	0	111.9	V342 L343 K344 T345 V468 Q475 D476 A479	V342-I470 HydrophobicContact CG1-CD1 3.7Å; V342-I470 HydrophobicContact CG1-CG1 4.01Å; V342-I470 HydrophobicContact CG1-CG2 4.14Å; L343-I470 PolarHBondContact O-N 3.27Å; K344-I470 WeakPolarHBondContact CA-O 3.39Å; K344-I470 HydrophobicContact CB-CD1 4.4Å; K344-I470 HydrophobicContact CB-CG1 4.02Å; K344-I470 HydrophobicContact CG-CG1 4.43Å; T345-I470 PolarHBondContact N-O 2.62Å; V468-I470 HydrophobicContact CG1-CG2 4.49Å; I470-Q475 HydrophobicContact CB-CB 4.13Å; I470-Q475 HydrophobicContact CG2-CB 3.81Å; I470-D476 HydrophobicContact CD1-CB 4.1Å; I470-A479 HydrophobicContact CG2-CB 3.69Å
471	V	82.3	Confident	84.7	Confident	78 Å²	78	36.7 Å²	36.7	47%	0.473	21%	0.209	S	C	.	.	S	Bend	trans	-100.9	-36.7	174.2	-177.7	0	0	0	0	110.4	T345	T345-V471 HydrophobicContact CG2-CG2 4.38Å
472	H	78.7	Confident	84.6	Confident	120 Å²	120	32.5 Å²	32.5	56%	0.556	19%	0.191	S	C	*	.	S	Bend	trans	-122.5	145.2	-177.3	-165.7	-99.1	0	0	0	111.5	S474 Q475	H472-S474 WeakPolarHBondContact ND1-CB 3.39Å; H472-S474 PolarHBondContact ND1-N 3.25Å; H472-S474 PolarHBondContact ND1-OG 2.97Å; H472-S474 PolarHBondContact O-N 3.01Å; H472-Q475 WeakPolarHBondContact O-CB 3.25Å; H472-Q475 PolarHBondContact O-N 3.47Å; H472-Q475 VanDerWaalsContact O-N 3.11Å
473	G	76.4	Confident	84.5	Confident	43 Å²	43	32.3 Å²	32.3	44%	0.443	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-65	-22.2	-176.6	0	0	0	0	0	114.3	Q475 D476	G473-Q475 PolarHBondContact O-N 3.49Å; G473-Q475 VanDerWaalsContact O-N 3.15Å; G473-D476 WeakPolarHBondContact O-CB 3.41Å; G473-D476 PolarHBondContact O-N 3.39Å; G473-D476 VanDerWaalsContact O-N 3.1Å
474	S	77.9	Confident	84.4	Confident	88 Å²	88	29.7 Å²	29.7	62%	0.615	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-65	-15.9	174.5	63	0	0	0	0	113.8	H472	H472-S474 WeakPolarHBondContact ND1-CB 3.39Å; H472-S474 PolarHBondContact ND1-N 3.25Å; H472-S474 PolarHBondContact ND1-OG 2.97Å; H472-S474 PolarHBondContact O-N 3.01Å
475	Q	80.2	Confident	84.2	Confident	45 Å²	45	29.6 Å²	29.6	21%	0.21	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-88	-8.5	178	-59.5	-177.2	-64.9	0	0	112.6	T437 I470 H472 G473 N477 N478 A479	T437-Q475 HydrophobicContact CG2-CB 3.74Å; T437-Q475 HydrophobicContact CG2-CG 4.31Å; I470-Q475 HydrophobicContact CB-CB 4.13Å; I470-Q475 HydrophobicContact CG2-CB 3.81Å; H472-Q475 WeakPolarHBondContact O-CB 3.25Å; H472-Q475 PolarHBondContact O-N 3.47Å; H472-Q475 VanDerWaalsContact O-N 3.11Å; G473-Q475 PolarHBondContact O-N 3.49Å; G473-Q475 VanDerWaalsContact O-N 3.15Å; Q475-N477 VanDerWaalsContact C-N 3.31Å; Q475-N477 PolarHBondContact O-N 3.44Å; Q475-N478 PolarHBondContact O-N 3.25Å; Q475-A479 VanDerWaalsContact O-CB 3.31Å; Q475-A479 WeakPolarHBondContact O-CB 3.21Å; Q475-A479 PolarHBondContact O-N 3.45Å
476	D	83.3	Confident	84.1	Confident	74 Å²	74	28.3 Å²	28.3	40%	0.396	17%	0.167	S	C	.	.	H	α-helix	trans	-60.3	-39.8	-176	-168.1	64.1	0	0	0	112.3	V342 I470 G473 A479 T480	V342-D476 WeakPolarHBondContact CG1-OD1 3.35Å; I470-D476 HydrophobicContact CD1-CB 4.1Å; G473-D476 WeakPolarHBondContact O-CB 3.41Å; G473-D476 PolarHBondContact O-N 3.39Å; G473-D476 VanDerWaalsContact O-N 3.1Å; D476-A479 PolarHBondContact O-N 3.39Å; D476-T480 VanDerWaalsContact O-CB 3.29Å; D476-T480 WeakPolarHBondContact O-CB 3.19Å; D476-T480 PolarHBondContact O-N 3.42Å; D476-T480 PolarHBondContact O-OG1 3.26Å
477	N	84	Confident	84	Confident	31 Å²	31	27.6 Å²	27.6	17%	0.166	16%	0.163	C	C	.	.	H	α-helix	trans	-58.3	-57.1	177.1	-177.3	-34.2	0	0	0	111.4	Q475 A479 T480 A481 W572 D576	Q475-N477 VanDerWaalsContact C-N 3.31Å; Q475-N477 PolarHBondContact O-N 3.44Å; N477-A479 VanDerWaalsContact C-N 3.33Å; N477-A479 PolarHBondContact O-N 2.98Å; N477-T480 PolarHBondContact O-N 3.1Å; N477-A481 PolarHBondContact O-N 3.04Å; N477-A481 VanDerWaalsContact O-N 3.07Å; N477-W572 PolarHBondContact O-NE1 2.76Å; N477-W572 PolarHBondContact OD1-NE1 2.95Å; N477-D576 WeakPolarHBondContact CB-OD2 3.01Å; N477-D576 PolarHBondContact ND2-OD2 2.87Å
478	N	83.8	Confident	83.5	Confident	40 Å²	40	28 Å²	28	21%	0.214	17%	0.167	C	C	.	.	H	α-helix	trans	-65.8	-35	179.8	-66.6	-14.9	0	0	0	112.2	T437 Q475 A481 T482 Q573	T437-N478 HydrophobicContact CG2-CB 4.09Å; Q475-N478 PolarHBondContact O-N 3.25Å; N478-A481 VanDerWaalsContact O-CB 3.28Å; N478-A481 WeakPolarHBondContact O-CB 3.38Å; N478-A481 PolarHBondContact O-N 2.78Å; N478-T482 PolarHBondContact O-N 3.25Å; N478-T482 PolarHBondContact O-OG1 3.01Å; N478-Q573 PolarHBondContact OD1-NE2 3.38Å; N478-Q573 VanDerWaalsContact OD1-NE2 3.15Å
479	A	85.5	Confident	83	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.5	-42.1	176.7	0	0	0	0	0	111.8	V342 V468 I470 Q475 D476 N477 A481 T482 V483	V342-A479 HydrophobicContact CG1-CB 3.85Å; V342-A479 HydrophobicContact CG2-CB 4.06Å; V468-A479 HydrophobicContact CB-CB 4.06Å; V468-A479 HydrophobicContact CG1-CB 3.6Å; I470-A479 HydrophobicContact CG2-CB 3.69Å; Q475-A479 VanDerWaalsContact O-CB 3.31Å; Q475-A479 WeakPolarHBondContact O-CB 3.21Å; Q475-A479 PolarHBondContact O-N 3.45Å; D476-A479 PolarHBondContact O-N 3.39Å; N477-A479 VanDerWaalsContact C-N 3.33Å; N477-A479 PolarHBondContact O-N 2.98Å; A479-A481 VanDerWaalsContact C-N 3.28Å; A479-A481 PolarHBondContact O-N 3.02Å; A479-T482 WeakPolarHBondContact O-CB 3.47Å; A479-T482 PolarHBondContact O-N 2.77Å; A479-V483 WeakPolarHBondContact O-CG2 3.38Å; A479-V483 PolarHBondContact O-N 3.42Å
480	T	85.1	Confident	82.4	Confident	23 Å²	23	28.8 Å²	28.8	14%	0.141	17%	0.17	C	C	.	.	H	α-helix	trans	-63.7	-35.3	175.7	-59.3	0	0	0	0	111.3	D476 N477 T482 V483 L484 W572	D476-T480 VanDerWaalsContact O-CB 3.29Å; D476-T480 WeakPolarHBondContact O-CB 3.19Å; D476-T480 PolarHBondContact O-N 3.42Å; D476-T480 PolarHBondContact O-OG1 3.26Å; N477-T480 PolarHBondContact O-N 3.1Å; T480-T482 PolarHBondContact O-N 3.04Å; T480-V483 PolarHBondContact O-N 3.4Å; T480-L484 WeakPolarHBondContact O-CB 3.44Å; T480-L484 PolarHBondContact O-N 2.88Å; T480-W572 HydrophobicContact CG2-CZ2 3.92Å
481	A	86.3	Confident	81.2	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-57.3	-49	172.5	0	0	0	0	0	111.7	N477 N478 A479 V483 L484 W485 W556 F559 N560 W572	N477-A481 PolarHBondContact O-N 3.04Å; N477-A481 VanDerWaalsContact O-N 3.07Å; N478-A481 VanDerWaalsContact O-CB 3.28Å; N478-A481 WeakPolarHBondContact O-CB 3.38Å; N478-A481 PolarHBondContact O-N 2.78Å; A479-A481 VanDerWaalsContact C-N 3.28Å; A479-A481 PolarHBondContact O-N 3.02Å; A481-V483 VanDerWaalsContact C-N 3.31Å; A481-V483 PolarHBondContact O-N 3.4Å; A481-L484 PolarHBondContact O-N 3.07Å; A481-W485 PolarHBondContact O-N 3.12Å; A481-W556 HydrophobicContact CB-CH2 3.89Å; A481-W556 HydrophobicContact CB-CZ3 4.42Å; A481-F559 HydrophobicContact CB-CE1 4.32Å; A481-N560 HydrophobicContact CB-CB 4.4Å; A481-W572 HydrophobicContact CB-CB 4.48Å; A481-W572 HydrophobicContact CB-CD2 3.97Å; A481-W572 HydrophobicContact CB-CG 3.64Å; A481-W572 VanDerWaalsContact CB-NE1 3.3Å
482	T	85.6	Confident	79.9	Confident	5 Å²	5	35.4 Å²	35.4	3%	0.031	21%	0.211	C	C	.	.	H	α-helix	trans	-62.9	-41.1	-179.2	-57.5	0	0	0	0	110.9	T437 K440 V468 N478 A479 T480 D486	T437-T482 PolarHBondContact O-OG1 2.73Å; K440-T482 HydrophobicContact CG-CG2 4.24Å; V468-T482 HydrophobicContact CG2-CG2 4.03Å; N478-T482 PolarHBondContact O-N 3.25Å; N478-T482 PolarHBondContact O-OG1 3.01Å; A479-T482 WeakPolarHBondContact O-CB 3.47Å; A479-T482 PolarHBondContact O-N 2.77Å; T480-T482 PolarHBondContact O-N 3.04Å; T482-D486 WeakPolarHBondContact O-CB 3.41Å; T482-D486 PolarHBondContact O-N 3.49Å
483	V	86.9	Confident	78.9	Confident	14 Å²	14	33.8 Å²	33.8	9%	0.085	23%	0.226	C	C	.	.	H	α-helix	trans	-65.7	-46.7	176.6	169.6	0	0	0	0	111.2	Q341 V342 V468 A479 T480 A481 W485 D486 N487	Q341-V483 HydrophobicContact CB-CB 4.38Å; Q341-V483 HydrophobicContact CB-CG1 3.56Å; Q341-V483 HydrophobicContact CB-CG2 3.85Å; Q341-V483 HydrophobicContact CG-CG1 4.2Å; V342-V483 HydrophobicContact CG2-CG2 4.02Å; V468-V483 HydrophobicContact CG2-CG2 3.97Å; A479-V483 WeakPolarHBondContact O-CG2 3.38Å; A479-V483 PolarHBondContact O-N 3.42Å; T480-V483 PolarHBondContact O-N 3.4Å; A481-V483 VanDerWaalsContact C-N 3.31Å; A481-V483 PolarHBondContact O-N 3.4Å; V483-W485 VanDerWaalsContact C-N 3.31Å; V483-W485 PolarHBondContact O-N 3.28Å; V483-D486 PolarHBondContact O-N 2.77Å; V483-N487 WeakPolarHBondContact O-CB 3.2Å; V483-N487 PolarHBondContact O-N 3.32Å
484	L	86.6	Confident	78.1	Confident	3 Å²	3	34 Å²	34	2%	0.016	21%	0.213	C	C	.	.	H	α-helix	trans	-57.1	-47.9	178.8	179.3	73.3	0	0	0	110.7	N264 T480 A481 N487 A488 K515 F559 W572	N264-L484 HydrophobicContact CB-CD1 4.13Å; N264-L484 PolarHBondContact ND2-O 2.83Å; T480-L484 WeakPolarHBondContact O-CB 3.44Å; T480-L484 PolarHBondContact O-N 2.88Å; A481-L484 PolarHBondContact O-N 3.07Å; L484-N487 PolarHBondContact O-N 3.43Å; L484-A488 WeakPolarHBondContact O-CB 3.4Å; L484-A488 PolarHBondContact O-N 3.42Å; L484-K515 HydrophobicContact CD1-CB 3.99Å; L484-K515 HydrophobicContact CD1-CG 4.22Å; L484-F559 HydrophobicContact CD2-CZ 4.22Å; L484-W572 HydrophobicContact CD2-CE3 4.14Å; L484-W572 HydrophobicContact CD2-CH2 3.53Å; L484-W572 HydrophobicContact CD2-CZ3 3.31Å
485	W	85.6	Confident	77	Confident	6 Å²	6	33.8 Å²	33.8	2%	0.023	21%	0.208	C	C	.	.	H	α-helix	trans	-63.5	-41.8	179.9	-159.2	-89.7	0	0	0	112	A481 V483 F489 P500 V503 L508 W556 F559	A481-W485 PolarHBondContact O-N 3.12Å; V483-W485 VanDerWaalsContact C-N 3.31Å; V483-W485 PolarHBondContact O-N 3.28Å; W485-F489 HydrophobicContact CB-CD2 4.48Å; W485-F489 AromaticContact CD1-CD2 3.93Å; W485-F489 AromaticContact CD2-CD2 3.69Å; W485-F489 HydrophobicContact CD2-CD2 3.69Å; W485-F489 AromaticContact CD2-CE2 3.67Å; W485-F489 HydrophobicContact CD2-CE2 3.67Å; W485-F489 AromaticContact CE2-CD2 3.8Å; W485-F489 HydrophobicContact CE3-CD2 4.22Å; W485-F489 AromaticContact CE3-CE2 3.7Å; W485-F489 HydrophobicContact CE3-CE2 3.7Å; W485-F489 AromaticContact CG-CD2 3.81Å; W485-F489 HydrophobicContact CG-CD2 3.81Å; W485-F489 HydrophobicContact CG-CE2 4.14Å; W485-F489 HydrophobicContact CH2-CE2 4.4Å; W485-F489 HydrophobicContact CZ2-CD2 4.42Å; W485-F489 HydrophobicContact CZ2-CE2 4.38Å; W485-F489 HydrophobicContact CZ3-CE2 4.07Å; W485-F489 AromaticContact NE1-CD2 3.92Å; W485-F489 WeakPolarHBondContact O-CD2 3.44Å; W485-F489 PolarHBondContact O-N 2.89Å; W485-F489 VanDerWaalsContact O-N 3.13Å; W485-P500 PolarHBondContact NE1-O 2.72Å; W485-V503 HydrophobicContact CH2-CB 4.25Å; W485-V503 HydrophobicContact CH2-CG2 4.17Å; W485-V503 HydrophobicContact CZ2-CB 4.05Å; W485-V503 HydrophobicContact CZ2-CG2 3.51Å; W485-L508 HydrophobicContact CE3-CD1 4.33Å; W485-L508 HydrophobicContact CZ3-CD1 3.85Å; W485-L508 HydrophobicContact CZ3-CD2 4.19Å; W485-W556 HydrophobicContact CB-CE3 3.93Å; W485-W556 HydrophobicContact CB-CH2 4.49Å; W485-W556 HydrophobicContact CB-CZ3 3.6Å; W485-W556 AromaticContact CD2-CE3 3.5Å; W485-W556 HydrophobicContact CD2-CE3 3.5Å; W485-W556 VanDerWaalsContact CD2-CE3 3.5Å; W485-W556 AromaticContact CD2-CZ3 3.96Å; W485-W556 HydrophobicContact CD2-CZ3 3.96Å; W485-W556 AromaticContact CE3-CE3 3.74Å; W485-W556 HydrophobicContact CE3-CE3 3.74Å; W485-W556 HydrophobicContact CE3-CZ3 4.03Å; W485-W556 AromaticContact CG-CE3 3.58Å; W485-W556 HydrophobicContact CG-CE3 3.58Å; W485-W556 AromaticContact CG-CZ3 3.8Å; W485-W556 HydrophobicContact CG-CZ3 3.8Å; W485-W556 HydrophobicContact CZ2-CB 4.35Å; W485-W556 HydrophobicContact CZ3-CE3 4.44Å; W485-F559 HydrophobicContact CE3-CB 4.46Å; W485-F559 AromaticContact CE3-CD1 3.76Å; W485-F559 HydrophobicContact CE3-CD1 3.76Å; W485-F559 HydrophobicContact CE3-CE1 4.04Å; W485-F559 HydrophobicContact CE3-CG 4.03Å; W485-F559 HydrophobicContact CH2-CB 4.33Å; W485-F559 HydrophobicContact CZ3-CB 3.82Å; W485-F559 AromaticContact CZ3-CD1 3.86Å; W485-F559 HydrophobicContact CZ3-CD1 3.86Å; W485-F559 AromaticContact CZ3-CD2 3.96Å; W485-F559 HydrophobicContact CZ3-CD2 3.96Å; W485-F559 HydrophobicContact CZ3-CE1 4.38Å; W485-F559 HydrophobicContact CZ3-CE2 4.46Å; W485-F559 AromaticContact CZ3-CG 3.61Å; W485-F559 HydrophobicContact CZ3-CG 3.61Å
486	D	84.8	Confident	76	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-66.9	-45.3	177.7	-166	-85.3	0	0	0	112	K440 P466 T482 V483 A490 R494 V499	K440-D486 IonicContact NZ-OD2 2.79Å; K440-D486 PolarHBondContact NZ-OD2 3.49Å; P466-D486 VanDerWaalsContact CG-OD1 3.27Å; P466-D486 WeakPolarHBondContact CG-OD1 3.32Å; T482-D486 WeakPolarHBondContact O-CB 3.41Å; T482-D486 PolarHBondContact O-N 3.49Å; V483-D486 PolarHBondContact O-N 2.77Å; D486-A490 WeakPolarHBondContact O-CB 3.33Å; D486-A490 PolarHBondContact O-N 2.84Å; D486-R494 VanDerWaalsContact CG-NH2 3.26Å; D486-R494 IonicContact OD1-CZ 2.93Å; D486-R494 IonicContact OD1-NH1 2.94Å; D486-R494 IonicContact OD1-NH2 3.49Å; D486-R494 PolarHBondContact OD1-NH2 3.28Å; D486-R494 IonicContact OD2-CZ 3.27Å; D486-R494 IonicContact OD2-NH1 3.76Å; D486-R494 PolarHBondContact OD2-NH1 2.87Å; D486-R494 IonicContact OD2-NH2 3.89Å; D486-R494 PolarHBondContact OD2-NH2 3.39Å; D486-V499 HydrophobicContact CB-CG1 4.14Å; D486-V499 WeakPolarHBondContact OD2-CG1 3.33Å
487	N	83.8	Confident	74.8	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-67.1	-37.9	179.8	-75.8	-14.9	0	0	0	113.4	R257 Q260 N264 Q341 V483 L484	R257-N487 PolarHBondContact NH1-O 3.34Å; Q260-N487 HydrophobicContact CG-CB 3.98Å; N264-N487 VanDerWaalsContact CG-CB 3.48Å; N264-N487 WeakPolarHBondContact ND2-CB 3.24Å; N264-N487 WeakPolarHBondContact OD1-CB 3.42Å; N264-N487 PolarHBondContact OD1-ND2 2.84Å; Q341-N487 PolarHBondContact NE2-ND2 2.84Å; Q341-N487 PolarHBondContact NE2-OD1 3.5Å; Q341-N487 PolarHBondContact OE1-ND2 3.36Å; V483-N487 WeakPolarHBondContact O-CB 3.2Å; V483-N487 PolarHBondContact O-N 3.32Å; L484-N487 PolarHBondContact O-N 3.43Å
488	A	78.6	Confident	73.7	Confident	10 Å²	10	33 Å²	33	8%	0.083	21%	0.205	C	C	.	.	H	α-helix	trans	-74	-42.5	-177.9	0	0	0	0	0	111.9	R257 N264 L484 A511	R257-A488 PolarHBondContact NH2-O 3.43Å; N264-A488 PolarHBondContact ND2-N 2.99Å; L484-A488 WeakPolarHBondContact O-CB 3.4Å; L484-A488 PolarHBondContact O-N 3.42Å; A488-A511 HydrophobicContact CB-CB 3.66Å
489	F	77.6	Confident	72.8	Confident	14 Å²	14	33.3 Å²	33.3	6%	0.061	21%	0.209	C	C	.	.	H	α-helix	trans	-114.2	5	-166.6	-47.6	-57.7	0	0	0	114.9	W485 E491 P500 V503 Q507 L508 A511	W485-F489 HydrophobicContact CB-CD2 4.48Å; W485-F489 AromaticContact CD1-CD2 3.93Å; W485-F489 AromaticContact CD2-CD2 3.69Å; W485-F489 HydrophobicContact CD2-CD2 3.69Å; W485-F489 AromaticContact CD2-CE2 3.67Å; W485-F489 HydrophobicContact CD2-CE2 3.67Å; W485-F489 AromaticContact CE2-CD2 3.8Å; W485-F489 HydrophobicContact CE3-CD2 4.22Å; W485-F489 AromaticContact CE3-CE2 3.7Å; W485-F489 HydrophobicContact CE3-CE2 3.7Å; W485-F489 AromaticContact CG-CD2 3.81Å; W485-F489 HydrophobicContact CG-CD2 3.81Å; W485-F489 HydrophobicContact CG-CE2 4.14Å; W485-F489 HydrophobicContact CH2-CE2 4.4Å; W485-F489 HydrophobicContact CZ2-CD2 4.42Å; W485-F489 HydrophobicContact CZ2-CE2 4.38Å; W485-F489 HydrophobicContact CZ3-CE2 4.07Å; W485-F489 AromaticContact NE1-CD2 3.92Å; W485-F489 WeakPolarHBondContact O-CD2 3.44Å; W485-F489 PolarHBondContact O-N 2.89Å; W485-F489 VanDerWaalsContact O-N 3.13Å; F489-E491 PolarHBondContact O-N 2.74Å; F489-P500 HydrophobicContact CB-CG 4.18Å; F489-P500 VanDerWaalsContact O-CD 3.25Å; F489-P500 WeakPolarHBondContact O-CD 3.46Å; F489-V503 HydrophobicContact CB-CG2 4.13Å; F489-V503 HydrophobicContact CD1-CB 4.37Å; F489-V503 HydrophobicContact CD1-CG1 3.5Å; F489-V503 HydrophobicContact CD1-CG2 3.88Å; F489-V503 HydrophobicContact CD2-CG1 4.31Å; F489-V503 HydrophobicContact CD2-CG2 3.61Å; F489-V503 HydrophobicContact CE1-CB 4.36Å; F489-V503 HydrophobicContact CE1-CG1 3.25Å; F489-V503 HydrophobicContact CE1-CG2 4.27Å; F489-V503 HydrophobicContact CE2-CB 4.44Å; F489-V503 HydrophobicContact CE2-CG1 4.06Å; F489-V503 HydrophobicContact CE2-CG2 3.98Å; F489-V503 HydrophobicContact CG-CB 4.48Å; F489-V503 HydrophobicContact CG-CG1 4.07Å; F489-V503 HydrophobicContact CG-CG2 3.56Å; F489-V503 HydrophobicContact CZ-CB 4.39Å; F489-V503 HydrophobicContact CZ-CG1 3.55Å; F489-V503 HydrophobicContact CZ-CG2 4.31Å; F489-Q507 HydrophobicContact CE1-CB 3.98Å; F489-L508 HydrophobicContact CE2-CD1 4.06Å; F489-L508 HydrophobicContact CZ-CB 4.15Å; F489-L508 HydrophobicContact CZ-CD1 3.78Å; F489-A511 HydrophobicContact CZ-CB 4.3Å
490	A	70.8	Confident	72.2	Confident	5 Å²	5	35.3 Å²	35.3	4%	0.041	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-63.6	128.4	171.3	0	0	0	0	0	111.5	R257 D486	R257-A490 PolarHBondContact NH1-O 3.23Å; D486-A490 WeakPolarHBondContact O-CB 3.33Å; D486-A490 PolarHBondContact O-N 2.84Å
491	E	61.6	Low	71.5	Confident	139 Å²	139	39.2 Å²	39.2	65%	0.65	24%	0.241	S	C	*	.	P	Polyproline II helix	trans	-76.7	147.6	169.8	-68	-178	171.1	0	0	111.7	F489 R494	F489-E491 PolarHBondContact O-N 2.74Å; E491-R494 WeakPolarHBondContact O-CG 3.42Å
492	A	55.7	Low	71	Confident	83 Å²	83	45.2 Å²	45.2	69%	0.686	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	129	175.6	0	0	0	0	0	110.5	I253	I253-A492 HydrophobicContact CG2-CB 3.96Å
493	G	56.9	Low	70.8	Confident	85 Å²	85	45.2 Å²	45.2	88%	0.876	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	9.8	179.7	0	0	0	0	0	115.5
494	R	59.1	Low	70.8	Confident	47 Å²	47	48.1 Å²	48.1	18%	0.177	28%	0.282	C	S	.	.			trans	-59.1	156.6	177.2	66	172.2	178.9	156.6	1.6	112.9	D486 E491 L498 V499	D486-R494 VanDerWaalsContact CG-NH2 3.26Å; D486-R494 IonicContact OD1-CZ 2.93Å; D486-R494 IonicContact OD1-NH1 2.94Å; D486-R494 IonicContact OD1-NH2 3.49Å; D486-R494 PolarHBondContact OD1-NH2 3.28Å; D486-R494 IonicContact OD2-CZ 3.27Å; D486-R494 IonicContact OD2-NH1 3.76Å; D486-R494 PolarHBondContact OD2-NH1 2.87Å; D486-R494 IonicContact OD2-NH2 3.89Å; D486-R494 PolarHBondContact OD2-NH2 3.39Å; E491-R494 WeakPolarHBondContact O-CG 3.42Å; R494-L498 WeakPolarHBondContact CD-O 3.38Å; R494-L498 VanDerWaalsContact NH1-C 3.27Å; R494-L498 PolarHBondContact NH1-O 3.2Å; R494-V499 VanDerWaalsContact NH1-CG1 3.33Å
495	V	55.3	Low	70.6	Confident	84 Å²	84	48.5 Å²	48.5	51%	0.509	28%	0.284	S	S	.	.	S	Bend	trans	-56	131	156.9	-178.8	0	0	0	0	107.4	K381 F497 L498	K381-V495 HydrophobicContact CD-CG1 3.86Å; K381-V495 HydrophobicContact CG-CG1 3.73Å; V495-F497 PolarHBondContact O-N 2.79Å; V495-L498 PolarHBondContact O-N 3.24Å
496	P	58.5	Low	70.6	Confident	18 Å²	18	50.3 Å²	50.3	12%	0.117	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.7	134.5	-176	-32.3	35.4	0	0	0	111.8	A380 K381 L384 L498	A380-P496 HydrophobicContact CB-CB 4.28Å; K381-P496 WeakPolarHBondContact CE-O 3.49Å; L384-P496 HydrophobicContact CD1-CG 3.26Å; L384-P496 HydrophobicContact CG-CG 4.27Å; P496-L498 VanDerWaalsContact C-N 3.28Å; P496-L498 PolarHBondContact O-N 3.27Å
497	F	58.1	Low	70.5	Confident	11 Å²	11	55 Å²	55	5%	0.048	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	72	1.3	172.3	-48	-84.8	0	0	0	117.2	E377 A380 K440 T442 P466 V495 V499	E377-F497 HydrophobicContact CB-CB 4.44Å; E377-F497 HydrophobicContact CB-CD2 3.71Å; E377-F497 HydrophobicContact CB-CE2 4.11Å; E377-F497 HydrophobicContact CB-CG 4.07Å; E377-F497 VanDerWaalsContact CD-CB 3.49Å; E377-F497 HydrophobicContact CG-CB 3.85Å; E377-F497 HydrophobicContact CG-CD2 3.6Å; E377-F497 HydrophobicContact CG-CE2 4.43Å; E377-F497 HydrophobicContact CG-CG 3.93Å; A380-F497 HydrophobicContact CB-CE2 3.71Å; K440-F497 HydrophobicContact CB-CD1 3.43Å; K440-F497 VanDerWaalsContact CB-CD1 3.43Å; K440-F497 HydrophobicContact CB-CE1 3.63Å; K440-F497 HydrophobicContact CB-CG 4.37Å; K440-F497 HydrophobicContact CD-CB 4.29Å; K440-F497 HydrophobicContact CD-CD1 3.69Å; K440-F497 HydrophobicContact CD-CG 4.46Å; K440-F497 HydrophobicContact CG-CD1 4.2Å; T442-F497 HydrophobicContact CG2-CE2 4.19Å; T442-F497 HydrophobicContact CG2-CZ 3.68Å; P466-F497 HydrophobicContact CB-CD1 3.77Å; P466-F497 HydrophobicContact CB-CE1 3.53Å; P466-F497 HydrophobicContact CG-CD1 3.6Å; P466-F497 HydrophobicContact CG-CE1 3.51Å; P466-F497 HydrophobicContact CG-CZ 4.5Å; V495-F497 PolarHBondContact O-N 2.79Å; F497-V499 PolarHBondContact O-N 3.25Å
498	L	61.9	Low	70.5	Confident	105 Å²	105	55.1 Å²	55.1	55%	0.55	32%	0.318	S	S	.	.			trans	-70.6	112.9	172.6	-168	129.6	0	0	0	110.7	R494 V495 P496	R494-L498 WeakPolarHBondContact CD-O 3.38Å; R494-L498 VanDerWaalsContact NH1-C 3.27Å; R494-L498 PolarHBondContact NH1-O 3.2Å; V495-L498 PolarHBondContact O-N 3.24Å; P496-L498 VanDerWaalsContact C-N 3.28Å; P496-L498 PolarHBondContact O-N 3.27Å
499	V	65.1	Low	70.8	Confident	47 Å²	47	55.1 Å²	55.1	29%	0.285	32%	0.318	S	S	.	.			trans	-115.5	145	177.9	-70	0	0	0	0	110.3	D486 R494 F497 D501	D486-V499 HydrophobicContact CB-CG1 4.14Å; D486-V499 WeakPolarHBondContact OD2-CG1 3.33Å; R494-V499 VanDerWaalsContact NH1-CG1 3.33Å; F497-V499 PolarHBondContact O-N 3.25Å; V499-D501 PolarHBondContact O-N 3.41Å
500	P	71.8	Confident	71	Confident	42 Å²	42	60.9 Å²	60.9	27%	0.273	35%	0.345	S	S	.	.			trans	-58.7	130.2	169.7	-22.8	33.7	0	0	0	110.8	W485 F489 K502 V503	W485-P500 PolarHBondContact NE1-O 2.72Å; F489-P500 HydrophobicContact CB-CG 4.18Å; F489-P500 VanDerWaalsContact O-CD 3.25Å; F489-P500 WeakPolarHBondContact O-CD 3.46Å; P500-K502 VanDerWaalsContact C-N 3.25Å; P500-K502 WeakPolarHBondContact CB-O 2.97Å; P500-V503 HydrophobicContact CB-CG2 4.25Å
501	D	70.4	Confident	71.7	Confident	104 Å²	104	61 Å²	61	56%	0.556	35%	0.346	S	S	*	.	S	Bend	trans	-74.1	-21.9	173.2	-173.9	38.3	0	0	0	111.6	V499 T555 W556	V499-D501 PolarHBondContact O-N 3.41Å; D501-T555 CarbonylContact O-C 3.6Å; D501-T555 VanDerWaalsContact O-CA 3.22Å; D501-T555 WeakPolarHBondContact O-CA 3.36Å; D501-W556 PolarHBondContact O-N 3.43Å
502	K	77.3	Confident	72.8	Confident	127 Å²	127	54.5 Å²	54.5	55%	0.552	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.8	137.1	178.5	-62.9	-177.1	-174.2	-178.2	0	110.5	P500 M554 T555	P500-K502 VanDerWaalsContact C-N 3.25Å; P500-K502 WeakPolarHBondContact CB-O 2.97Å; K502-M554 WeakPolarHBondContact CA-O 3.3Å; K502-T555 HydrophobicContact CD-CG2 4.2Å; K502-T555 HydrophobicContact CG-CG2 3.73Å
503	V	81.5	Confident	74.3	Confident	5 Å²	5	52.1 Å²	52.1	3%	0.03	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	144.4	-177.2	174.8	0	0	0	0	109.7	W485 F489 P500 Q507 L508 T553 M554	W485-V503 HydrophobicContact CH2-CB 4.25Å; W485-V503 HydrophobicContact CH2-CG2 4.17Å; W485-V503 HydrophobicContact CZ2-CB 4.05Å; W485-V503 HydrophobicContact CZ2-CG2 3.51Å; F489-V503 HydrophobicContact CB-CG2 4.13Å; F489-V503 HydrophobicContact CD1-CB 4.37Å; F489-V503 HydrophobicContact CD1-CG1 3.5Å; F489-V503 HydrophobicContact CD1-CG2 3.88Å; F489-V503 HydrophobicContact CD2-CG1 4.31Å; F489-V503 HydrophobicContact CD2-CG2 3.61Å; F489-V503 HydrophobicContact CE1-CB 4.36Å; F489-V503 HydrophobicContact CE1-CG1 3.25Å; F489-V503 HydrophobicContact CE1-CG2 4.27Å; F489-V503 HydrophobicContact CE2-CB 4.44Å; F489-V503 HydrophobicContact CE2-CG1 4.06Å; F489-V503 HydrophobicContact CE2-CG2 3.98Å; F489-V503 HydrophobicContact CG-CB 4.48Å; F489-V503 HydrophobicContact CG-CG1 4.07Å; F489-V503 HydrophobicContact CG-CG2 3.56Å; F489-V503 HydrophobicContact CZ-CB 4.39Å; F489-V503 HydrophobicContact CZ-CG1 3.55Å; F489-V503 HydrophobicContact CZ-CG2 4.31Å; P500-V503 HydrophobicContact CB-CG2 4.25Å; V503-Q507 HydrophobicContact CG1-CB 4.14Å; V503-L508 HydrophobicContact CG1-CB 4.46Å; V503-T553 CarbonylContact O-C 3.51Å; V503-T553 WeakPolarHBondContact O-CA 3.05Å; V503-M554 PolarHBondContact N-O 2.83Å; V503-M554 PolarHBondContact O-N 3.21Å
504	L	85.1	Confident	75.6	Confident	74 Å²	74	50.1 Å²	50.1	39%	0.387	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	135	173.6	-70.3	169.3	0	0	0	111.1	P506 Q507 L508 T553	L504-P506 VanDerWaalsContact C-CD 3.48Å; L504-Q507 HydrophobicContact CB-CG 4.41Å; L504-Q507 PolarHBondContact O-N 3.43Å; L504-Q507 VanDerWaalsContact O-N 3.11Å; L504-L508 PolarHBondContact O-N 2.97Å; L504-T553 HydrophobicContact CD2-CG2 3.94Å
505	W	83.9	Confident	76.7	Confident	12 Å²	12	49.5 Å²	49.5	5%	0.045	26%	0.258	C	S	.	.	H	α-helix	trans	-53.5	-42.3	-177.9	179.3	-111	0	0	0	114.5	Q507 L508 C509 L534 A535 A538 F539 Y549 M552 M554 F571	W505-Q507 VanDerWaalsContact C-N 3.33Å; W505-Q507 PolarHBondContact O-N 2.92Å; W505-L508 HydrophobicContact CE3-CD2 3.94Å; W505-L508 HydrophobicContact CZ3-CD2 3.77Å; W505-L508 HydrophobicContact CZ3-CG 4.4Å; W505-L508 PolarHBondContact O-N 3.43Å; W505-L508 VanDerWaalsContact O-N 3.12Å; W505-C509 PolarHBondContact NE1-SG 3.43Å; W505-C509 PolarHBondContact O-N 2.97Å; W505-C509 PolarHBondContact O-SG 3.28Å; W505-L534 HydrophobicContact CH2-CB 3.97Å; W505-L534 HydrophobicContact CZ2-CB 3.93Å; W505-A535 HydrophobicContact CD2-CB 4.41Å; W505-A535 VanDerWaalsContact CE2-CB 3.46Å; W505-A535 HydrophobicContact CZ2-CB 3.54Å; W505-A535 VanDerWaalsContact NE1-CB 3.34Å; W505-A538 HydrophobicContact CH2-CB 4.4Å; W505-A538 HydrophobicContact CZ3-CB 4.37Å; W505-F539 HydrophobicContact CB-CE2 4.3Å; W505-F539 HydrophobicContact CB-CZ 4.49Å; W505-F539 AromaticContact CD2-CE2 3.85Å; W505-F539 HydrophobicContact CD2-CE2 3.85Å; W505-F539 AromaticContact CE3-CE2 3.8Å; W505-F539 HydrophobicContact CE3-CE2 3.8Å; W505-F539 HydrophobicContact CE3-CZ 4.22Å; W505-F539 HydrophobicContact CG-CE2 4.09Å; W505-F539 HydrophobicContact CZ3-CE2 4.46Å; W505-Y549 WeakPolarHBondContact CB-O 3.39Å; W505-M552 PolarHBondContact N-O 2.91Å; W505-M554 HydrophobicContact CE3-CE 3.57Å; W505-M554 HydrophobicContact CE3-SD 4.47Å; W505-M554 HydrophobicContact CH2-CE 4.3Å; W505-M554 HydrophobicContact CZ3-CE 3.26Å; W505-M554 HydrophobicContact CZ3-SD 4.09Å; W505-F571 HydrophobicContact CH2-CZ 4.46Å
506	P	84.1	Confident	78.1	Confident	44 Å²	44	45.5 Å²	45.5	29%	0.286	23%	0.234	S	C	.	.	H	α-helix	trans	-58	-40.5	177.1	-26.8	36.3	0	0	0	114.1	L504 L508 C509 E510 R550	L504-P506 VanDerWaalsContact C-CD 3.48Å; P506-L508 VanDerWaalsContact C-N 3.31Å; P506-L508 PolarHBondContact O-N 3.19Å; P506-C509 WeakPolarHBondContact O-CB 3.49Å; P506-C509 PolarHBondContact O-N 2.86Å; P506-E510 PolarHBondContact O-N 3.24Å; P506-R550 WeakPolarHBondContact CD-O 3.31Å; P506-R550 HydrophobicContact CG-CB 4.16Å; P506-R550 HydrophobicContact CG-CG 4.17Å
507	Q	82.9	Confident	79.2	Confident	100 Å²	100	48.5 Å²	48.5	47%	0.467	25%	0.245	S	C	.	.	H	α-helix	trans	-67.2	-36.8	178.6	-63.1	179.4	-7	0	0	111.1	F489 V503 L504 W505 E510 A511	F489-Q507 HydrophobicContact CE1-CB 3.98Å; V503-Q507 HydrophobicContact CG1-CB 4.14Å; L504-Q507 HydrophobicContact CB-CG 4.41Å; L504-Q507 PolarHBondContact O-N 3.43Å; L504-Q507 VanDerWaalsContact O-N 3.11Å; W505-Q507 VanDerWaalsContact C-N 3.33Å; W505-Q507 PolarHBondContact O-N 2.92Å; Q507-E510 PolarHBondContact O-N 2.91Å; Q507-A511 PolarHBondContact O-N 2.87Å; Q507-A511 VanDerWaalsContact O-N 3.13Å
508	L	85	Confident	80.3	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-68.7	-39.6	174	-177.2	61.5	0	0	0	111.9	W485 F489 V503 L504 W505 P506 E510 A511 I512 M554 F559	W485-L508 HydrophobicContact CE3-CD1 4.33Å; W485-L508 HydrophobicContact CZ3-CD1 3.85Å; W485-L508 HydrophobicContact CZ3-CD2 4.19Å; F489-L508 HydrophobicContact CE2-CD1 4.06Å; F489-L508 HydrophobicContact CZ-CB 4.15Å; F489-L508 HydrophobicContact CZ-CD1 3.78Å; V503-L508 HydrophobicContact CG1-CB 4.46Å; L504-L508 PolarHBondContact O-N 2.97Å; W505-L508 HydrophobicContact CE3-CD2 3.94Å; W505-L508 HydrophobicContact CZ3-CD2 3.77Å; W505-L508 HydrophobicContact CZ3-CG 4.4Å; W505-L508 PolarHBondContact O-N 3.43Å; W505-L508 VanDerWaalsContact O-N 3.12Å; P506-L508 VanDerWaalsContact C-N 3.31Å; P506-L508 PolarHBondContact O-N 3.19Å; L508-E510 VanDerWaalsContact C-N 3.33Å; L508-E510 PolarHBondContact O-N 3.25Å; L508-A511 PolarHBondContact O-N 2.84Å; L508-I512 HydrophobicContact CD1-CD1 4.01Å; L508-I512 HydrophobicContact CD1-CG1 4.09Å; L508-I512 HydrophobicContact CD2-CD1 4.38Å; L508-I512 HydrophobicContact CG-CD1 3.76Å; L508-I512 HydrophobicContact CG-CG1 4.27Å; L508-I512 WeakPolarHBondContact O-CB 3.44Å; L508-I512 VanDerWaalsContact O-CG1 3.24Å; L508-I512 WeakPolarHBondContact O-CG1 3.31Å; L508-I512 PolarHBondContact O-N 2.94Å; L508-M554 HydrophobicContact CD2-CB 4.18Å; L508-M554 HydrophobicContact CD2-CE 4.29Å; L508-M554 HydrophobicContact CD2-CG 4.26Å; L508-M554 HydrophobicContact CD2-SD 3.38Å; L508-M554 WeakPolarHBondContact CD2-SD 3.33Å; L508-F559 HydrophobicContact CD1-CE2 4.1Å; L508-F559 HydrophobicContact CD2-CD2 4.21Å; L508-F559 HydrophobicContact CD2-CE2 4.38Å
509	C	83.7	Confident	81.1	Confident	10 Å²	10	46.9 Å²	46.9	7%	0.068	24%	0.242	C	C	.	.	H	α-helix	trans	-58.5	-44.4	173.5	-69.6	0	0	0	0	112.1	W505 P506 I512 N513 L531	W505-C509 PolarHBondContact NE1-SG 3.43Å; W505-C509 PolarHBondContact O-N 2.97Å; W505-C509 PolarHBondContact O-SG 3.28Å; P506-C509 WeakPolarHBondContact O-CB 3.49Å; P506-C509 PolarHBondContact O-N 2.86Å; C509-I512 PolarHBondContact O-N 3.37Å; C509-N513 WeakPolarHBondContact O-CB 3.47Å; C509-N513 PolarHBondContact O-N 3.27Å; C509-L531 HydrophobicContact CB-CD1 4.09Å; C509-L531 HydrophobicContact CB-CD2 3.8Å; C509-L531 HydrophobicContact CB-CG 4.46Å
510	E	83.3	Confident	81.6	Confident	136 Å²	136	44.7 Å²	44.7	64%	0.636	23%	0.229	S	C	*	.	H	α-helix	trans	-61.4	-45.9	176.4	-73.6	179.5	-174.5	0	0	111.5	P506 Q507 L508 N513 M514	P506-E510 PolarHBondContact O-N 3.24Å; Q507-E510 PolarHBondContact O-N 2.91Å; L508-E510 VanDerWaalsContact C-N 3.33Å; L508-E510 PolarHBondContact O-N 3.25Å; E510-N513 PolarHBondContact O-N 3.12Å; E510-M514 WeakPolarHBondContact O-CB 3.15Å; E510-M514 PolarHBondContact O-N 3.12Å
511	A	83.9	Confident	81.7	Confident	8 Å²	8	49.5 Å²	49.5	7%	0.066	25%	0.248	C	C	.	.	H	α-helix	trans	-62.3	-44.3	177.9	0	0	0	0	0	112.5	A488 F489 Q507 L508 K515	A488-A511 HydrophobicContact CB-CB 3.66Å; F489-A511 HydrophobicContact CZ-CB 4.3Å; Q507-A511 PolarHBondContact O-N 2.87Å; Q507-A511 VanDerWaalsContact O-N 3.13Å; L508-A511 PolarHBondContact O-N 2.84Å; A511-K515 WeakPolarHBondContact O-CB 3.24Å; A511-K515 PolarHBondContact O-N 2.98Å
512	I	86.2	Confident	81.7	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-64.7	-45.3	177.1	-70.9	174.8	0	0	0	110.6	L508 C509 M514 K515 Y516 L526 L534 F559 F571 F575	L508-I512 HydrophobicContact CD1-CD1 4.01Å; L508-I512 HydrophobicContact CD1-CG1 4.09Å; L508-I512 HydrophobicContact CD2-CD1 4.38Å; L508-I512 HydrophobicContact CG-CD1 3.76Å; L508-I512 HydrophobicContact CG-CG1 4.27Å; L508-I512 WeakPolarHBondContact O-CB 3.44Å; L508-I512 VanDerWaalsContact O-CG1 3.24Å; L508-I512 WeakPolarHBondContact O-CG1 3.31Å; L508-I512 PolarHBondContact O-N 2.94Å; C509-I512 PolarHBondContact O-N 3.37Å; I512-M514 PolarHBondContact O-N 2.97Å; I512-K515 PolarHBondContact O-N 3.32Å; I512-Y516 VanDerWaalsContact O-CB 3.25Å; I512-Y516 WeakPolarHBondContact O-CB 3.2Å; I512-Y516 PolarHBondContact O-N 3.38Å; I512-L526 HydrophobicContact CG2-CD1 3.83Å; I512-L534 HydrophobicContact CG2-CD1 4.31Å; I512-F559 HydrophobicContact CD1-CE2 4.33Å; I512-F571 HydrophobicContact CD1-CE1 4.04Å; I512-F571 HydrophobicContact CD1-CZ 4.46Å; I512-F575 HydrophobicContact CG2-CD1 4.33Å; I512-F575 HydrophobicContact CG2-CD2 4.48Å; I512-F575 HydrophobicContact CG2-CE1 3.54Å; I512-F575 HydrophobicContact CG2-CE2 3.72Å; I512-F575 HydrophobicContact CG2-CZ 3.19Å
513	N	86.7	Confident	81.1	Confident	33 Å²	33	46.8 Å²	46.8	18%	0.176	24%	0.24	C	C	.	.	H	α-helix	trans	-64.1	-41.8	179.4	-172	20.8	0	0	0	111.5	C509 E510 Y516 K517 G525 L526	C509-N513 WeakPolarHBondContact O-CB 3.47Å; C509-N513 PolarHBondContact O-N 3.27Å; E510-N513 PolarHBondContact O-N 3.12Å; N513-Y516 PolarHBondContact O-N 2.96Å; N513-K517 WeakPolarHBondContact O-CB 3.4Å; N513-K517 WeakPolarHBondContact O-CG 3.37Å; N513-K517 PolarHBondContact O-N 2.83Å; N513-G525 VanDerWaalsContact OD1-CA 3.27Å; N513-G525 WeakPolarHBondContact OD1-CA 3.47Å; N513-L526 HydrophobicContact CB-CD1 4.39Å; N513-L526 PolarHBondContact OD1-N 3.47Å
514	M	83.1	Confident	80.5	Confident	44 Å²	44	51.5 Å²	51.5	22%	0.217	26%	0.26	C	S	.	.	H	α-helix	trans	-59.6	-50.3	174.9	-176.9	178.7	-68.4	0	0	111.2	L261 N264 G266 E510 I512 Y516 K517 A518	L261-M514 HydrophobicContact CB-SD 4.28Å; N264-M514 HydrophobicContact CB-SD 4.41Å; G266-M514 VanDerWaalsContact CA-CG 3.42Å; G266-M514 WeakPolarHBondContact CA-SD 3.33Å; G266-M514 VanDerWaalsContact N-CG 3.34Å; G266-M514 PolarHBondContact N-SD 2.8Å; E510-M514 WeakPolarHBondContact O-CB 3.15Å; E510-M514 PolarHBondContact O-N 3.12Å; I512-M514 PolarHBondContact O-N 2.97Å; M514-Y516 VanDerWaalsContact C-N 3.34Å; M514-Y516 PolarHBondContact O-N 3.44Å; M514-K517 PolarHBondContact O-N 3.01Å; M514-A518 PolarHBondContact O-N 2.77Å
515	K	83.4	Confident	80.1	Confident	33 Å²	33	48.9 Å²	48.9	14%	0.143	25%	0.251	C	S	.	.	H	α-helix	trans	-60.4	-43.5	176.8	-177.6	56.1	171.9	159.7	0	112.1	N264 L484 A511 I512 A518 E519 W572 M579	N264-K515 WeakPolarHBondContact O-CA 3.12Å; N264-K515 PolarHBondContact O-N 3.27Å; L484-K515 HydrophobicContact CD1-CB 3.99Å; L484-K515 HydrophobicContact CD1-CG 4.22Å; A511-K515 WeakPolarHBondContact O-CB 3.24Å; A511-K515 PolarHBondContact O-N 2.98Å; I512-K515 PolarHBondContact O-N 3.32Å; K515-A518 PolarHBondContact O-N 3.42Å; K515-E519 IonicContact NZ-OE2 2.92Å; K515-E519 PolarHBondContact NZ-OE2 2.59Å; K515-E519 VanDerWaalsContact O-CB 3.32Å; K515-E519 WeakPolarHBondContact O-CB 3.38Å; K515-E519 PolarHBondContact O-N 3.02Å; K515-W572 HydrophobicContact CG-CH2 4.48Å; K515-M579 HydrophobicContact CG-CE 4.38Å; K515-M579 HydrophobicContact CG-SD 4.07Å
516	Y	84	Confident	80	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.1	-47.4	179.6	-169.6	-92.9	0	0	0	112.3	I512 N513 M514 A518 E519 V520 L526 F575 M579 W590 F598	I512-Y516 VanDerWaalsContact O-CB 3.25Å; I512-Y516 WeakPolarHBondContact O-CB 3.2Å; I512-Y516 PolarHBondContact O-N 3.38Å; N513-Y516 PolarHBondContact O-N 2.96Å; M514-Y516 VanDerWaalsContact C-N 3.34Å; M514-Y516 PolarHBondContact O-N 3.44Å; Y516-A518 VanDerWaalsContact C-N 3.32Å; Y516-A518 PolarHBondContact O-N 3.08Å; Y516-E519 PolarHBondContact O-N 3.23Å; Y516-V520 HydrophobicContact CD1-CG2 4.17Å; Y516-V520 HydrophobicContact CD2-CG2 4.39Å; Y516-V520 HydrophobicContact CE1-CG2 3.83Å; Y516-V520 HydrophobicContact CE2-CG2 4.07Å; Y516-V520 HydrophobicContact CG-CG2 4.43Å; Y516-V520 WeakPolarHBondContact O-CB 3.41Å; Y516-V520 WeakPolarHBondContact O-CG2 3.49Å; Y516-V520 PolarHBondContact O-N 3.44Å; Y516-L526 HydrophobicContact CD1-CD2 4.01Å; Y516-L526 HydrophobicContact CD1-CG 4.23Å; Y516-L526 HydrophobicContact CD2-CD2 4.44Å; Y516-L526 HydrophobicContact CE1-CD2 4.14Å; Y516-L526 HydrophobicContact CG-CD2 4.17Å; Y516-L526 HydrophobicContact CG-CG 4.31Å; Y516-F575 HydrophobicContact CD2-CE1 4.45Å; Y516-F575 HydrophobicContact CD2-CE2 4.3Å; Y516-F575 AromaticContact CD2-CZ 3.69Å; Y516-F575 HydrophobicContact CD2-CZ 3.69Å; Y516-F575 HydrophobicContact CG-CZ 4.33Å; Y516-M579 HydrophobicContact CD2-CG 3.71Å; Y516-M579 HydrophobicContact CD2-SD 4.34Å; Y516-M579 HydrophobicContact CE2-CG 4.14Å; Y516-W590 HydrophobicContact CE1-CD2 4.33Å; Y516-W590 AromaticContact CE1-CE2 3.49Å; Y516-W590 VanDerWaalsContact CE1-CE2 3.49Å; Y516-W590 HydrophobicContact CE1-CH2 4.28Å; Y516-W590 AromaticContact CE1-CZ2 3.46Å; Y516-W590 HydrophobicContact CE1-CZ2 3.46Å; Y516-W590 VanDerWaalsContact CE1-CZ2 3.46Å; Y516-W590 AromaticContact CE1-NE1 3.57Å; Y516-W590 AromaticContact CZ-CE2 3.87Å; Y516-W590 AromaticContact CZ-CZ2 3.8Å; Y516-W590 WeakPolarHBondContact OH-CZ2 3.31Å; Y516-F598 HydrophobicContact CE2-CE2 4.39Å; Y516-F598 HydrophobicContact CE2-CZ 4.18Å
517	K	82.7	Confident	79.8	Confident	81 Å²	81	49.3 Å²	49.3	35%	0.352	26%	0.256	S	S	.	.	H	α-helix	trans	-57	-45.5	177.5	-77	179.4	179.8	-174	0	112.1	N513 M514 Q521 S522	N513-K517 WeakPolarHBondContact O-CB 3.4Å; N513-K517 WeakPolarHBondContact O-CG 3.37Å; N513-K517 PolarHBondContact O-N 2.83Å; M514-K517 PolarHBondContact O-N 3.01Å; K517-Q521 WeakPolarHBondContact O-CA 3.17Å; K517-Q521 PolarHBondContact O-N 2.97Å; K517-S522 PolarHBondContact O-N 2.94Å; K517-S522 VanDerWaalsContact O-N 3.12Å
518	A	81.2	Confident	79.6	Confident	41 Å²	41	50 Å²	50	34%	0.339	26%	0.259	S	S	.	.	H	α-helix	trans	-69.6	-40.7	-179.8	0	0	0	0	0	113	M514 K515 Y516 Q521	M514-A518 PolarHBondContact O-N 2.77Å; K515-A518 PolarHBondContact O-N 3.42Å; Y516-A518 VanDerWaalsContact C-N 3.32Å; Y516-A518 PolarHBondContact O-N 3.08Å; A518-Q521 PolarHBondContact O-N 2.81Å
519	E	78.4	Confident	79.3	Confident	42 Å²	42	56.6 Å²	56.6	20%	0.196	29%	0.29	C	S	.	.	H	α-helix	trans	-69	-38.2	-178.6	-156.2	64.1	-137.7	0	0	111.9	K515 Y516 Q521 M579 K583	K515-E519 IonicContact NZ-OE2 2.92Å; K515-E519 PolarHBondContact NZ-OE2 2.59Å; K515-E519 VanDerWaalsContact O-CB 3.32Å; K515-E519 WeakPolarHBondContact O-CB 3.38Å; K515-E519 PolarHBondContact O-N 3.02Å; Y516-E519 PolarHBondContact O-N 3.23Å; E519-Q521 VanDerWaalsContact C-N 3.31Å; E519-M579 HydrophobicContact CB-SD 4.39Å; E519-M579 HydrophobicContact CG-CB 4.33Å; E519-K583 HydrophobicContact CG-CD 4.16Å; E519-K583 VanDerWaalsContact OE1-CD 3.27Å; E519-K583 WeakPolarHBondContact OE1-CD 3.4Å; E519-K583 WeakPolarHBondContact OE1-CE 3.32Å; E519-K583 IonicContact OE1-NZ 2.64Å; E519-K583 PolarHBondContact OE1-NZ 3.41Å
520	V	75.4	Confident	79.3	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.006	29%	0.29	C	S	.	.	H	α-helix	trans	-82	-11.7	177.1	-175.8	0	0	0	0	112	Y516 S522 T582 W590	Y516-V520 HydrophobicContact CD1-CG2 4.17Å; Y516-V520 HydrophobicContact CD2-CG2 4.39Å; Y516-V520 HydrophobicContact CE1-CG2 3.83Å; Y516-V520 HydrophobicContact CE2-CG2 4.07Å; Y516-V520 HydrophobicContact CG-CG2 4.43Å; Y516-V520 WeakPolarHBondContact O-CB 3.41Å; Y516-V520 WeakPolarHBondContact O-CG2 3.49Å; Y516-V520 PolarHBondContact O-N 3.44Å; V520-S522 VanDerWaalsContact C-N 3.27Å; V520-S522 PolarHBondContact O-N 3.3Å; V520-T582 HydrophobicContact CG1-CG2 3.86Å; V520-T582 HydrophobicContact CG2-CG2 3.73Å; V520-W590 HydrophobicContact CG1-CB 4.37Å; V520-W590 HydrophobicContact CG1-CG 4.11Å
521	Q	72.9	Confident	79.2	Confident	143 Å²	143	52 Å²	52	67%	0.668	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	46.1	-175.4	-63.1	173.5	-29.9	0	0	111.4	K517 A518 E519	K517-Q521 WeakPolarHBondContact O-CA 3.17Å; K517-Q521 PolarHBondContact O-N 2.97Å; A518-Q521 PolarHBondContact O-N 2.81Å; E519-Q521 VanDerWaalsContact C-N 3.31Å
522	S	71.3	Confident	79.1	Confident	12 Å²	12	52.4 Å²	52.4	8%	0.084	27%	0.27	C	S	.	.			trans	-128.7	142.1	-177.3	-167.3	0	0	0	0	111.5	K517 V520 K524 N591	K517-S522 PolarHBondContact O-N 2.94Å; K517-S522 VanDerWaalsContact O-N 3.12Å; V520-S522 VanDerWaalsContact C-N 3.27Å; V520-S522 PolarHBondContact O-N 3.3Å; S522-K524 PolarHBondContact O-N 3.42Å; S522-K524 PolarHBondContact OG-N 2.89Å; S522-K524 VanDerWaalsContact OG-N 3.14Å; S522-N591 WeakPolarHBondContact CB-OD1 3.33Å; S522-N591 PolarHBondContact OG-OD1 3.4Å
523	N	65.5	Low	79	Confident	162 Å²	162	52.5 Å²	52.5	87%	0.866	27%	0.271	S	S	*	.	S	Bend	trans	-72.7	-18.1	169.1	-65.5	-16.1	0	0	0	111.6	G525	N523-G525 PolarHBondContact O-N 3.17Å
524	K	68.9	Low	78.8	Confident	104 Å²	104	51 Å²	51	45%	0.452	26%	0.263	S	S	.	.			trans	-81.1	104.5	173.1	-76.8	-174.5	-179.6	168.5	0	110.5	S522 W590 N591	S522-K524 PolarHBondContact O-N 3.42Å; S522-K524 PolarHBondContact OG-N 2.89Å; S522-K524 VanDerWaalsContact OG-N 3.14Å; K524-W590 PolarHBondContact O-NE1 3.02Å; K524-N591 WeakPolarHBondContact CD-O 3.08Å; K524-N591 WeakPolarHBondContact CE-O 3.28Å; K524-N591 PolarHBondContact NZ-O 2.69Å
525	G	76.8	Confident	78.7	Confident	19 Å²	19	48.9 Å²	48.9	20%	0.196	25%	0.252	C	S	.	.			trans	-84.5	-164.6	170.9	0	0	0	0	0	113.7	N513 N523	N513-G525 VanDerWaalsContact OD1-CA 3.27Å; N513-G525 WeakPolarHBondContact OD1-CA 3.47Å; N523-G525 PolarHBondContact O-N 3.17Å
526	L	80.4	Confident	78.6	Confident	11 Å²	11	47.9 Å²	47.9	6%	0.058	25%	0.248	C	C	.	.			trans	-72.5	130	172.4	-58	173.3	0	0	0	109.8	I512 N513 Y516 N530 L531 L534 F575 F598	I512-L526 HydrophobicContact CG2-CD1 3.83Å; N513-L526 HydrophobicContact CB-CD1 4.39Å; N513-L526 PolarHBondContact OD1-N 3.47Å; Y516-L526 HydrophobicContact CD1-CD2 4.01Å; Y516-L526 HydrophobicContact CD1-CG 4.23Å; Y516-L526 HydrophobicContact CD2-CD2 4.44Å; Y516-L526 HydrophobicContact CE1-CD2 4.14Å; Y516-L526 HydrophobicContact CG-CD2 4.17Å; Y516-L526 HydrophobicContact CG-CG 4.31Å; L526-N530 HydrophobicContact CB-CB 4.21Å; L526-N530 HydrophobicContact CD2-CB 4.32Å; L526-L531 HydrophobicContact CB-CD2 3.97Å; L526-L531 HydrophobicContact CB-CG 4.27Å; L526-L531 HydrophobicContact CD1-CD2 3.93Å; L526-L534 HydrophobicContact CD1-CD1 3.86Å; L526-F575 HydrophobicContact CD1-CZ 4.43Å; L526-F598 HydrophobicContact CD2-CD2 3.87Å; L526-F598 HydrophobicContact CD2-CE2 3.3Å; L526-F598 HydrophobicContact CD2-CZ 3.85Å
527	S	81	Confident	78.4	Confident	53 Å²	53	48.7 Å²	48.7	37%	0.371	25%	0.252	S	S	.	.			trans	-73.3	165.6	170.7	62	0	0	0	0	111	E529 N530 L531	S527-E529 VanDerWaalsContact C-N 3.25Å; S527-E529 PolarHBondContact O-N 2.75Å; S527-N530 WeakPolarHBondContact O-CB 3.37Å; S527-N530 PolarHBondContact O-N 3.34Å; S527-N530 VanDerWaalsContact O-N 3.09Å; S527-N530 PolarHBondContact OG-N 3.3Å; S527-N530 PolarHBondContact OG-ND2 3.24Å; S527-N530 PolarHBondContact OG-OD1 3.41Å; S527-L531 WeakPolarHBondContact O-CG 3.45Å; S527-L531 PolarHBondContact O-N 2.94Å
528	E	78.3	Confident	78.2	Confident	114 Å²	114	45.7 Å²	45.7	53%	0.533	24%	0.242	S	C	.	.	H	α-helix	trans	-57.9	-39.2	175.7	-169.9	168.9	-161.6	0	0	111.9	N530 L531 V532 P546	E528-N530 PolarHBondContact O-N 2.93Å; E528-L531 PolarHBondContact O-N 2.85Å; E528-V532 WeakPolarHBondContact O-CG2 3.21Å; E528-V532 PolarHBondContact O-N 3.2Å; E528-P546 HydrophobicContact CG-CB 4.32Å; E528-P546 WeakPolarHBondContact OE1-CG 3.45Å
529	E	78.2	Confident	78.1	Confident	141 Å²	141	45.6 Å²	45.6	66%	0.659	23%	0.234	S	C	*	.	H	α-helix	trans	-60.6	-42.4	174	-62.8	178.9	178.6	0	0	112.3	S527 L531 V532 F533	S527-E529 VanDerWaalsContact C-N 3.25Å; S527-E529 PolarHBondContact O-N 2.75Å; E529-L531 VanDerWaalsContact C-N 3.31Å; E529-L531 PolarHBondContact O-N 2.88Å; E529-V532 PolarHBondContact O-N 2.9Å; E529-F533 PolarHBondContact O-N 3.28Å
530	N	83.4	Confident	77.9	Confident	12 Å²	12	47.3 Å²	47.3	6%	0.064	25%	0.25	C	S	.	.	H	α-helix	trans	-65	-37.5	176.7	-65.3	-11.2	0	0	0	111.2	L526 S527 E528 F533 L534 F598	L526-N530 HydrophobicContact CB-CB 4.21Å; L526-N530 HydrophobicContact CD2-CB 4.32Å; S527-N530 WeakPolarHBondContact O-CB 3.37Å; S527-N530 PolarHBondContact O-N 3.34Å; S527-N530 VanDerWaalsContact O-N 3.09Å; S527-N530 PolarHBondContact OG-N 3.3Å; S527-N530 PolarHBondContact OG-ND2 3.24Å; S527-N530 PolarHBondContact OG-OD1 3.41Å; E528-N530 PolarHBondContact O-N 2.93Å; N530-F533 PolarHBondContact O-N 2.92Å; N530-L534 WeakPolarHBondContact O-CG 3.37Å; N530-L534 PolarHBondContact O-N 3.37Å; N530-F598 HydrophobicContact CB-CB 3.87Å; N530-F598 HydrophobicContact CB-CD2 3.94Å; N530-F598 HydrophobicContact CB-CG 4.12Å
531	L	81.7	Confident	77.7	Confident	36 Å²	36	49 Å²	49	19%	0.188	26%	0.263	C	S	.	.	H	α-helix	trans	-68.5	-39.1	177	-66.2	177.2	0	0	0	111.9	C509 L526 S527 E528 E529 L534 A535	C509-L531 HydrophobicContact CB-CD1 4.09Å; C509-L531 HydrophobicContact CB-CD2 3.8Å; C509-L531 HydrophobicContact CB-CG 4.46Å; L526-L531 HydrophobicContact CB-CD2 3.97Å; L526-L531 HydrophobicContact CB-CG 4.27Å; L526-L531 HydrophobicContact CD1-CD2 3.93Å; S527-L531 WeakPolarHBondContact O-CG 3.45Å; S527-L531 PolarHBondContact O-N 2.94Å; E528-L531 PolarHBondContact O-N 2.85Å; E529-L531 VanDerWaalsContact C-N 3.31Å; E529-L531 PolarHBondContact O-N 2.88Å; L531-L534 HydrophobicContact CD2-CD1 4.39Å; L531-L534 PolarHBondContact O-N 3.09Å; L531-A535 PolarHBondContact O-N 3.16Å
532	V	82.4	Confident	77.2	Confident	17 Å²	17	47.9 Å²	47.9	10%	0.103	27%	0.271	C	S	.	.	H	α-helix	trans	-62.7	-43.3	173.3	172.7	0	0	0	0	110.4	E528 E529 L534 A535 Q536 P546 Y549	E528-V532 WeakPolarHBondContact O-CG2 3.21Å; E528-V532 PolarHBondContact O-N 3.2Å; E529-V532 PolarHBondContact O-N 2.9Å; V532-L534 VanDerWaalsContact C-N 3.33Å; V532-L534 PolarHBondContact O-N 3.23Å; V532-A535 WeakPolarHBondContact O-CB 3.45Å; V532-A535 PolarHBondContact O-N 3.39Å; V532-A535 VanDerWaalsContact O-N 3.1Å; V532-Q536 HydrophobicContact CG1-CG 4.38Å; V532-Q536 WeakPolarHBondContact O-CG 3.45Å; V532-Q536 PolarHBondContact O-N 3.07Å; V532-P546 HydrophobicContact CG2-CB 3.93Å; V532-Y549 HydrophobicContact CG1-CE2 4.28Å
533	F	82.4	Confident	77.1	Confident	3 Å²	3	49 Å²	49	1%	0.013	28%	0.278	C	S	.	.	H	α-helix	trans	-58.1	-44.8	174.4	170.2	-88.3	0	0	0	112.2	E529 N530 A535 Q536 K537 W574 F598 N600	E529-F533 PolarHBondContact O-N 3.28Å; N530-F533 PolarHBondContact O-N 2.92Å; F533-A535 VanDerWaalsContact C-N 3.27Å; F533-A535 PolarHBondContact O-N 2.9Å; F533-Q536 PolarHBondContact O-N 3.03Å; F533-K537 HydrophobicContact CE1-CD 4.23Å; F533-K537 WeakPolarHBondContact O-CB 3.41Å; F533-K537 PolarHBondContact O-N 2.84Å; F533-W574 AromaticContact CE1-CH2 3.79Å; F533-W574 HydrophobicContact CE1-CH2 3.79Å; F533-W574 HydrophobicContact CE1-CZ2 4.34Å; F533-F598 HydrophobicContact CB-CB 4.26Å; F533-F598 WeakPolarHBondContact CB-O 3.29Å; F533-F598 HydrophobicContact CD1-CB 3.58Å; F533-F598 AromaticContact CD1-CD1 3.89Å; F533-F598 HydrophobicContact CD1-CD1 3.89Å; F533-F598 HydrophobicContact CD1-CG 4.23Å; F533-F598 HydrophobicContact CE1-CB 4.15Å; F533-F598 AromaticContact CE1-CD1 3.96Å; F533-F598 HydrophobicContact CE1-CD1 3.96Å; F533-F598 HydrophobicContact CG-CB 4.01Å; F533-F598 WeakPolarHBondContact CG-O 3.33Å; F533-N600 HydrophobicContact CD2-CB 4.32Å; F533-N600 HydrophobicContact CE2-CB 4.11Å; F533-N600 VanDerWaalsContact CE2-CG 3.42Å; F533-N600 VanDerWaalsContact CE2-N 3.26Å; F533-N600 WeakPolarHBondContact CE2-OD1 3.16Å
534	L	82.9	Confident	77.1	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-62.2	-37.1	176.4	-69	173.7	0	0	0	111.5	W505 I512 L526 N530 L531 V532 K537 A538 F571 W574 F575 F598	W505-L534 HydrophobicContact CH2-CB 3.97Å; W505-L534 HydrophobicContact CZ2-CB 3.93Å; I512-L534 HydrophobicContact CG2-CD1 4.31Å; L526-L534 HydrophobicContact CD1-CD1 3.86Å; N530-L534 WeakPolarHBondContact O-CG 3.37Å; N530-L534 PolarHBondContact O-N 3.37Å; L531-L534 HydrophobicContact CD2-CD1 4.39Å; L531-L534 PolarHBondContact O-N 3.09Å; V532-L534 VanDerWaalsContact C-N 3.33Å; V532-L534 PolarHBondContact O-N 3.23Å; L534-K537 PolarHBondContact O-N 2.92Å; L534-A538 VanDerWaalsContact O-CB 3.31Å; L534-A538 WeakPolarHBondContact O-CB 3.25Å; L534-A538 PolarHBondContact O-N 3.25Å; L534-F571 HydrophobicContact CB-CZ 4.32Å; L534-F571 HydrophobicContact CD2-CE2 4.11Å; L534-F571 HydrophobicContact CD2-CZ 3.99Å; L534-W574 HydrophobicContact CD2-CH2 4.16Å; L534-W574 HydrophobicContact CD2-CZ3 3.65Å; L534-F575 HydrophobicContact CD1-CE2 4.2Å; L534-F575 HydrophobicContact CD2-CD2 4.14Å; L534-F575 HydrophobicContact CD2-CE2 4.38Å; L534-F598 HydrophobicContact CD2-CD1 3.86Å; L534-F598 HydrophobicContact CD2-CE1 3.89Å; L534-F598 HydrophobicContact CG-CD1 4.29Å
535	A	81.3	Confident	77.2	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-66	-47.6	177.5	0	0	0	0	0	111.2	W505 L531 V532 F533 K537 A538 F539 Y549	W505-A535 HydrophobicContact CD2-CB 4.41Å; W505-A535 VanDerWaalsContact CE2-CB 3.46Å; W505-A535 HydrophobicContact CZ2-CB 3.54Å; W505-A535 VanDerWaalsContact NE1-CB 3.34Å; L531-A535 PolarHBondContact O-N 3.16Å; V532-A535 WeakPolarHBondContact O-CB 3.45Å; V532-A535 PolarHBondContact O-N 3.39Å; V532-A535 VanDerWaalsContact O-N 3.1Å; F533-A535 VanDerWaalsContact C-N 3.27Å; F533-A535 PolarHBondContact O-N 2.9Å; A535-K537 VanDerWaalsContact C-N 3.28Å; A535-K537 PolarHBondContact O-N 3.47Å; A535-A538 PolarHBondContact O-N 3.39Å; A535-F539 HydrophobicContact CB-CD2 4.48Å; A535-F539 WeakPolarHBondContact O-CB 3.45Å; A535-F539 WeakPolarHBondContact O-CD2 3.26Å; A535-F539 PolarHBondContact O-N 3.2Å; A535-Y549 HydrophobicContact CB-CD1 3.68Å; A535-Y549 HydrophobicContact CB-CD2 4.08Å; A535-Y549 HydrophobicContact CB-CE1 3.88Å; A535-Y549 HydrophobicContact CB-CE2 4.26Å; A535-Y549 HydrophobicContact CB-CG 3.77Å
536	Q	81.3	Confident	76.6	Confident	13 Å²	13	46 Å²	46	6%	0.061	27%	0.265	C	S	.	.	H	α-helix	trans	-56.8	-44.5	175.3	-71	176.8	-9.7	0	0	111.1	V532 F533 S540 S541 S543 N544 Y549 N600	V532-Q536 HydrophobicContact CG1-CG 4.38Å; V532-Q536 WeakPolarHBondContact O-CG 3.45Å; V532-Q536 PolarHBondContact O-N 3.07Å; F533-Q536 PolarHBondContact O-N 3.03Å; Q536-S540 WeakPolarHBondContact O-CA 3.29Å; Q536-S540 PolarHBondContact O-N 3.28Å; Q536-S541 WeakPolarHBondContact CG-O 3.21Å; Q536-S541 PolarHBondContact O-N 3.49Å; Q536-S543 PolarHBondContact NE2-O 3.45Å; Q536-N544 PolarHBondContact NE2-OD1 3.25Å; Q536-Y549 WeakPolarHBondContact CG-OH 3.39Å; Q536-N600 PolarHBondContact OE1-ND2 3.39Å
537	K	80.7	Confident	76.1	Confident	17 Å²	17	49.5 Å²	49.5	7%	0.074	28%	0.283	C	S	.	.	H	α-helix	trans	-65.2	-42.9	179	-171	-179.1	-163.1	72.4	0	112.4	F533 L534 A535 L564 F571 W574 D622	F533-K537 HydrophobicContact CE1-CD 4.23Å; F533-K537 WeakPolarHBondContact O-CB 3.41Å; F533-K537 PolarHBondContact O-N 2.84Å; L534-K537 PolarHBondContact O-N 2.92Å; A535-K537 VanDerWaalsContact C-N 3.28Å; A535-K537 PolarHBondContact O-N 3.47Å; K537-L564 HydrophobicContact CG-CD1 4.33Å; K537-F571 HydrophobicContact CD-CD2 4.49Å; K537-F571 HydrophobicContact CD-CE2 4.41Å; K537-W574 HydrophobicContact CD-CD2 4.2Å; K537-W574 HydrophobicContact CD-CE3 3.84Å; K537-W574 HydrophobicContact CD-CH2 3.91Å; K537-W574 HydrophobicContact CD-CZ2 4.21Å; K537-W574 HydrophobicContact CD-CZ3 3.69Å; K537-W574 VanDerWaalsContact CE-CD2 3.46Å; K537-D622 IonicContact NZ-OD1 3.83Å; K537-D622 PolarHBondContact NZ-OD1 3.48Å
538	A	78.9	Confident	75.7	Confident	18 Å²	18	50.9 Å²	50.9	15%	0.149	29%	0.287	C	S	.	.	H	α-helix	trans	-79	-37.8	-174.4	0	0	0	0	0	113	W505 L534 A535 M554 F571	W505-A538 HydrophobicContact CH2-CB 4.4Å; W505-A538 HydrophobicContact CZ3-CB 4.37Å; L534-A538 VanDerWaalsContact O-CB 3.31Å; L534-A538 WeakPolarHBondContact O-CB 3.25Å; L534-A538 PolarHBondContact O-N 3.25Å; A535-A538 PolarHBondContact O-N 3.39Å; A538-M554 HydrophobicContact CB-CE 3.26Å; A538-M554 HydrophobicContact CB-SD 4.49Å; A538-F571 HydrophobicContact CB-CD2 3.88Å; A538-F571 HydrophobicContact CB-CE2 3.89Å; A538-F571 HydrophobicContact CB-CG 4.45Å; A538-F571 HydrophobicContact CB-CZ 4.46Å
539	F	78.9	Confident	75.3	Confident	39 Å²	39	45.6 Å²	45.6	17%	0.171	26%	0.262	C	S	.	.	H	α-helix	trans	-93.4	-2.9	178	-63.8	-68.5	0	0	0	113.8	W505 A535 S541 Y549 M552 M554	W505-F539 HydrophobicContact CB-CE2 4.3Å; W505-F539 HydrophobicContact CB-CZ 4.49Å; W505-F539 AromaticContact CD2-CE2 3.85Å; W505-F539 HydrophobicContact CD2-CE2 3.85Å; W505-F539 AromaticContact CE3-CE2 3.8Å; W505-F539 HydrophobicContact CE3-CE2 3.8Å; W505-F539 HydrophobicContact CE3-CZ 4.22Å; W505-F539 HydrophobicContact CG-CE2 4.09Å; W505-F539 HydrophobicContact CZ3-CE2 4.46Å; A535-F539 HydrophobicContact CB-CD2 4.48Å; A535-F539 WeakPolarHBondContact O-CB 3.45Å; A535-F539 WeakPolarHBondContact O-CD2 3.26Å; A535-F539 PolarHBondContact O-N 3.2Å; F539-S541 PolarHBondContact O-N 3.2Å; F539-S541 VanDerWaalsContact O-N 3.13Å; F539-S541 PolarHBondContact O-OG 3.33Å; F539-Y549 HydrophobicContact CD2-CD1 4.18Å; F539-Y549 HydrophobicContact CD2-CE1 4.4Å; F539-M552 HydrophobicContact CB-SD 4.33Å; F539-M552 HydrophobicContact CD1-SD 4.15Å; F539-M552 HydrophobicContact CD2-SD 3.83Å; F539-M552 HydrophobicContact CE1-CB 4.31Å; F539-M552 HydrophobicContact CE1-SD 4.44Å; F539-M552 HydrophobicContact CE2-CB 4.07Å; F539-M552 HydrophobicContact CE2-SD 4.14Å; F539-M552 HydrophobicContact CG-SD 3.84Å; F539-M552 HydrophobicContact CZ-CB 3.86Å; F539-M552 HydrophobicContact CZ-SD 4.43Å; F539-M554 HydrophobicContact CE1-CB 4.42Å; F539-M554 HydrophobicContact CE1-CE 4.13Å; F539-M554 HydrophobicContact CE2-CE 3.94Å; F539-M554 HydrophobicContact CZ-CB 4.13Å; F539-M554 HydrophobicContact CZ-CE 3.71Å
540	S	73.1	Confident	75	Confident	77 Å²	77	45.7 Å²	45.7	54%	0.538	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	35.2	-174.1	-57	0	0	0	0	113	Q536	Q536-S540 WeakPolarHBondContact O-CA 3.29Å; Q536-S540 PolarHBondContact O-N 3.28Å
541	S	71.1	Confident	74.6	Confident	38 Å²	38	49.7 Å²	49.7	27%	0.266	29%	0.285	S	S	.	.			trans	-106.1	147.2	-176.1	-66.4	0	0	0	0	110.9	Q536 F539	Q536-S541 WeakPolarHBondContact CG-O 3.21Å; Q536-S541 PolarHBondContact O-N 3.49Å; F539-S541 PolarHBondContact O-N 3.2Å; F539-S541 VanDerWaalsContact O-N 3.13Å; F539-S541 PolarHBondContact O-OG 3.33Å
542	S	63	Low	74.5	Confident	119 Å²	119	50.9 Å²	50.9	83%	0.832	29%	0.291	S	S	*	.			trans	-97.5	8.2	-174.5	-48.1	0	0	0	0	114.9
543	S	69.5	Low	74.5	Confident	35 Å²	35	53.3 Å²	53.3	25%	0.245	31%	0.306	C	S	.	.			trans	-74.7	134.8	-179.9	42.8	0	0	0	0	111.4	Q536 Y549	Q536-S543 PolarHBondContact NE2-O 3.45Å; S543-Y549 WeakPolarHBondContact O-CE2 3.43Å; S543-Y549 PolarHBondContact O-OH 3.04Å; S543-Y549 PolarHBondContact OG-OH 2.89Å
544	N	65.3	Low	74.4	Confident	111 Å²	111	53.3 Å²	53.3	59%	0.594	31%	0.305	S	S	*	.			trans	-94.3	-5.4	176.5	-80.7	1.8	0	0	0	112.8	Q536	Q536-N544 PolarHBondContact NE2-OD1 3.25Å
545	N	70	Confident	74.5	Confident	75 Å²	75	54.2 Å²	54.2	40%	0.401	31%	0.311	S	S	.	.			trans	-87.6	123.5	-174.3	-167.8	19.2	0	0	0	111.2	D547 D548 Y549	N545-D547 VanDerWaalsContact C-N 3.27Å; N545-D547 PolarHBondContact O-N 2.79Å; N545-D548 PolarHBondContact O-N 3.21Å; N545-Y549 VanDerWaalsContact O-CD2 3.24Å; N545-Y549 WeakPolarHBondContact O-CD2 3.48Å
546	P	65.7	Low	74.5	Confident	36 Å²	36	55.5 Å²	55.5	23%	0.234	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-62.4	-29.1	179.7	22.1	-34	0	0	0	114	E528 V532 D548 Y549	E528-P546 HydrophobicContact CG-CB 4.32Å; E528-P546 WeakPolarHBondContact OE1-CG 3.45Å; V532-P546 HydrophobicContact CG2-CB 3.93Å; P546-D548 PolarHBondContact O-N 2.99Å; P546-Y549 PolarHBondContact O-N 3.05Å
547	D	69.8	Low	74.5	Confident	84 Å²	84	56.3 Å²	56.3	45%	0.449	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-68.9	-31.5	-177.4	-75.9	-45.7	0	0	0	113.5	N545 Y549 R550	N545-D547 VanDerWaalsContact C-N 3.27Å; N545-D547 PolarHBondContact O-N 2.79Å; D547-Y549 PolarHBondContact O-N 3.19Å; D547-R550 WeakPolarHBondContact O-CB 3.37Å; D547-R550 PolarHBondContact O-N 3.15Å; D547-R550 VanDerWaalsContact O-N 3.15Å; D547-R550 WeakPolarHBondContact OD1-CD 3.42Å; D547-R550 IonicContact OD1-CZ 3.59Å; D547-R550 IonicContact OD1-NE 3.58Å; D547-R550 PolarHBondContact OD1-NE 3.42Å; D547-R550 IonicContact OD1-NH1 2.75Å; D547-R550 PolarHBondContact OD1-NH1 3.49Å
548	D	71.9	Confident	74.4	Confident	82 Å²	82	59 Å²	59	44%	0.439	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-64.1	-27.7	179.5	-61.9	-12.5	0	0	0	111.7	N545 P546	N545-D548 PolarHBondContact O-N 3.21Å; P546-D548 PolarHBondContact O-N 2.99Å
549	Y	70.8	Confident	74.5	Confident	3 Å²	3	58.1 Å²	58.1	1%	0.012	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-87.6	-12.6	-178.9	-62.5	-70.4	0	0	0	113.2	W505 V532 A535 Q536 F539 S543 N545 P546 D547 S551 M552	W505-Y549 WeakPolarHBondContact CB-O 3.39Å; V532-Y549 HydrophobicContact CG1-CE2 4.28Å; A535-Y549 HydrophobicContact CB-CD1 3.68Å; A535-Y549 HydrophobicContact CB-CD2 4.08Å; A535-Y549 HydrophobicContact CB-CE1 3.88Å; A535-Y549 HydrophobicContact CB-CE2 4.26Å; A535-Y549 HydrophobicContact CB-CG 3.77Å; Q536-Y549 WeakPolarHBondContact CG-OH 3.39Å; F539-Y549 HydrophobicContact CD2-CD1 4.18Å; F539-Y549 HydrophobicContact CD2-CE1 4.4Å; S543-Y549 WeakPolarHBondContact O-CE2 3.43Å; S543-Y549 PolarHBondContact O-OH 3.04Å; S543-Y549 PolarHBondContact OG-OH 2.89Å; N545-Y549 VanDerWaalsContact O-CD2 3.24Å; N545-Y549 WeakPolarHBondContact O-CD2 3.48Å; P546-Y549 PolarHBondContact O-N 3.05Å; D547-Y549 PolarHBondContact O-N 3.19Å; Y549-S551 VanDerWaalsContact C-N 3.29Å; Y549-S551 PolarHBondContact O-N 2.93Å; Y549-M552 HydrophobicContact CD1-SD 3.64Å; Y549-M552 HydrophobicContact CE1-SD 4.06Å; Y549-M552 PolarHBondContact O-N 2.79Å
550	R	70.3	Confident	74.6	Confident	143 Å²	143	56.9 Å²	56.9	54%	0.54	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-30.1	-177.1	-71.2	-177.9	171	174.5	-6.9	113.3	P506 D547	P506-R550 WeakPolarHBondContact CD-O 3.31Å; P506-R550 HydrophobicContact CG-CB 4.16Å; P506-R550 HydrophobicContact CG-CG 4.17Å; D547-R550 WeakPolarHBondContact O-CB 3.37Å; D547-R550 PolarHBondContact O-N 3.15Å; D547-R550 VanDerWaalsContact O-N 3.15Å; D547-R550 WeakPolarHBondContact OD1-CD 3.42Å; D547-R550 IonicContact OD1-CZ 3.59Å; D547-R550 IonicContact OD1-NE 3.58Å; D547-R550 PolarHBondContact OD1-NE 3.42Å; D547-R550 IonicContact OD1-NH1 2.75Å; D547-R550 PolarHBondContact OD1-NH1 3.49Å
551	S	75.5	Confident	74.7	Confident	97 Å²	97	58.7 Å²	58.7	68%	0.678	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-3.8	176.4	55.4	0	0	0	0	114	Y549	Y549-S551 VanDerWaalsContact C-N 3.29Å; Y549-S551 PolarHBondContact O-N 2.93Å
552	M	79	Confident	75.1	Confident	61 Å²	61	61.5 Å²	61.5	30%	0.3	33%	0.328	S	S	.	.			trans	-75.6	143.5	178.2	-77.9	-168.6	166.1	0	0	111.3	W505 F539 Y549	W505-M552 PolarHBondContact N-O 2.91Å; F539-M552 HydrophobicContact CB-SD 4.33Å; F539-M552 HydrophobicContact CD1-SD 4.15Å; F539-M552 HydrophobicContact CD2-SD 3.83Å; F539-M552 HydrophobicContact CE1-CB 4.31Å; F539-M552 HydrophobicContact CE1-SD 4.44Å; F539-M552 HydrophobicContact CE2-CB 4.07Å; F539-M552 HydrophobicContact CE2-SD 4.14Å; F539-M552 HydrophobicContact CG-SD 3.84Å; F539-M552 HydrophobicContact CZ-CB 3.86Å; F539-M552 HydrophobicContact CZ-SD 4.43Å; Y549-M552 HydrophobicContact CD1-SD 3.64Å; Y549-M552 HydrophobicContact CE1-SD 4.06Å; Y549-M552 PolarHBondContact O-N 2.79Å
553	T	82.2	Confident	75.8	Confident	68 Å²	68	59.1 Å²	59.1	42%	0.417	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	134.2	176.5	58.8	0	0	0	0	110.6	V503 L504	V503-T553 CarbonylContact O-C 3.51Å; V503-T553 WeakPolarHBondContact O-CA 3.05Å; L504-T553 HydrophobicContact CD2-CG2 3.94Å
554	M	81.6	Confident	76.1	Confident	2 Å²	2	58.1 Å²	58.1	1%	0.01	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	135.3	173.2	-171.7	165	-67.3	0	0	110.5	K502 V503 W505 L508 A538 F539 Q558 F559	K502-M554 WeakPolarHBondContact CA-O 3.3Å; V503-M554 PolarHBondContact N-O 2.83Å; V503-M554 PolarHBondContact O-N 3.21Å; W505-M554 HydrophobicContact CE3-CE 3.57Å; W505-M554 HydrophobicContact CE3-SD 4.47Å; W505-M554 HydrophobicContact CH2-CE 4.3Å; W505-M554 HydrophobicContact CZ3-CE 3.26Å; W505-M554 HydrophobicContact CZ3-SD 4.09Å; L508-M554 HydrophobicContact CD2-CB 4.18Å; L508-M554 HydrophobicContact CD2-CE 4.29Å; L508-M554 HydrophobicContact CD2-CG 4.26Å; L508-M554 HydrophobicContact CD2-SD 3.38Å; L508-M554 WeakPolarHBondContact CD2-SD 3.33Å; A538-M554 HydrophobicContact CB-CE 3.26Å; A538-M554 HydrophobicContact CB-SD 4.49Å; F539-M554 HydrophobicContact CE1-CB 4.42Å; F539-M554 HydrophobicContact CE1-CE 4.13Å; F539-M554 HydrophobicContact CE2-CE 3.94Å; F539-M554 HydrophobicContact CZ-CB 4.13Å; F539-M554 HydrophobicContact CZ-CE 3.71Å; M554-Q558 HydrophobicContact CG-CB 4.21Å; M554-F559 HydrophobicContact SD-CB 4.31Å; M554-F559 HydrophobicContact SD-CD2 4.05Å
555	T	84.1	Confident	76.4	Confident	20 Å²	20	57.4 Å²	57.4	12%	0.123	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	155.6	172.1	60.5	0	0	0	0	111.4	D501 K502 S557 Q558 F559	D501-T555 CarbonylContact O-C 3.6Å; D501-T555 VanDerWaalsContact O-CA 3.22Å; D501-T555 WeakPolarHBondContact O-CA 3.36Å; K502-T555 HydrophobicContact CD-CG2 4.2Å; K502-T555 HydrophobicContact CG-CG2 3.73Å; T555-S557 PolarHBondContact O-N 3.05Å; T555-S557 PolarHBondContact OG1-OG 2.92Å; T555-Q558 PolarHBondContact O-N 3.29Å; T555-Q558 WeakPolarHBondContact OG1-CB 3.48Å; T555-Q558 WeakPolarHBondContact OG1-CG 3.37Å; T555-Q558 PolarHBondContact OG1-N 3.15Å; T555-Q558 PolarHBondContact OG1-OE1 2.79Å; T555-F559 PolarHBondContact O-N 3.07Å
556	W	81.7	Confident	76.1	Confident	28 Å²	28	58 Å²	58	11%	0.106	33%	0.329	C	S	.	.	H	α-helix	trans	-56.3	-37.3	169.4	171.8	-111.8	0	0	0	112	E438 A481 W485 D501 Q558 F559 N560	E438-W556 HydrophobicContact CG-CZ2 4.29Å; E438-W556 PolarHBondContact OE1-NE1 3.35Å; A481-W556 HydrophobicContact CB-CH2 3.89Å; A481-W556 HydrophobicContact CB-CZ3 4.42Å; W485-W556 HydrophobicContact CB-CE3 3.93Å; W485-W556 HydrophobicContact CB-CH2 4.49Å; W485-W556 HydrophobicContact CB-CZ3 3.6Å; W485-W556 AromaticContact CD2-CE3 3.5Å; W485-W556 HydrophobicContact CD2-CE3 3.5Å; W485-W556 VanDerWaalsContact CD2-CE3 3.5Å; W485-W556 AromaticContact CD2-CZ3 3.96Å; W485-W556 HydrophobicContact CD2-CZ3 3.96Å; W485-W556 AromaticContact CE3-CE3 3.74Å; W485-W556 HydrophobicContact CE3-CE3 3.74Å; W485-W556 HydrophobicContact CE3-CZ3 4.03Å; W485-W556 AromaticContact CG-CE3 3.58Å; W485-W556 HydrophobicContact CG-CE3 3.58Å; W485-W556 AromaticContact CG-CZ3 3.8Å; W485-W556 HydrophobicContact CG-CZ3 3.8Å; W485-W556 HydrophobicContact CZ2-CB 4.35Å; W485-W556 HydrophobicContact CZ3-CE3 4.44Å; D501-W556 PolarHBondContact O-N 3.43Å; W556-Q558 PolarHBondContact O-N 2.69Å; W556-F559 HydrophobicContact CE3-CD1 4Å; W556-F559 AromaticContact CZ3-CD1 3.68Å; W556-F559 HydrophobicContact CZ3-CD1 3.68Å; W556-F559 HydrophobicContact CZ3-CE1 4.15Å; W556-F559 PolarHBondContact O-N 2.87Å; W556-N560 HydrophobicContact CH2-CB 3.84Å; W556-N560 HydrophobicContact CZ2-CB 3.96Å; W556-N560 HydrophobicContact CZ3-CB 4.14Å; W556-N560 PolarHBondContact O-N 3.47Å; W556-N560 VanDerWaalsContact O-N 3.09Å
557	S	80.9	Confident	76.4	Confident	30 Å²	30	59.6 Å²	59.6	21%	0.21	33%	0.33	C	S	.	.	I	π-helix	trans	-60.3	-46.2	178.2	69.2	0	0	0	0	111.9	T555 F559 R561 E562	T555-S557 PolarHBondContact O-N 3.05Å; T555-S557 PolarHBondContact OG1-OG 2.92Å; S557-F559 VanDerWaalsContact C-N 3.26Å; S557-F559 PolarHBondContact O-N 2.76Å; S557-R561 CarbonylContact O-C 3.21Å; S557-R561 WeakPolarHBondContact O-CA 3.27Å; S557-R561 PolarHBondContact O-N 2.8Å; S557-E562 VanDerWaalsContact CB-OE1 3.24Å; S557-E562 WeakPolarHBondContact CB-OE1 3.37Å; S557-E562 PolarHBondContact O-N 2.94Å; S557-E562 PolarHBondContact OG-OE1 3.31Å
558	Q	79.1	Confident	76.8	Confident	73 Å²	73	63.4 Å²	63.4	34%	0.341	35%	0.35	S	S	.	.	I	π-helix	trans	-64.9	-30.3	177.8	-73.5	168.7	-12.1	0	0	112.8	M554 T555 W556	M554-Q558 HydrophobicContact CG-CB 4.21Å; T555-Q558 PolarHBondContact O-N 3.29Å; T555-Q558 WeakPolarHBondContact OG1-CB 3.48Å; T555-Q558 WeakPolarHBondContact OG1-CG 3.37Å; T555-Q558 PolarHBondContact OG1-N 3.15Å; T555-Q558 PolarHBondContact OG1-OE1 2.79Å; W556-Q558 PolarHBondContact O-N 2.69Å
559	F	80.9	Confident	77.2	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.332	C	S	.	.	I	π-helix	trans	-75.3	-46.8	-178.6	-174.2	-106.7	0	0	0	113	A481 L484 W485 L508 I512 M554 T555 W556 S557 F571 W572	A481-F559 HydrophobicContact CB-CE1 4.32Å; L484-F559 HydrophobicContact CD2-CZ 4.22Å; W485-F559 HydrophobicContact CE3-CB 4.46Å; W485-F559 AromaticContact CE3-CD1 3.76Å; W485-F559 HydrophobicContact CE3-CD1 3.76Å; W485-F559 HydrophobicContact CE3-CE1 4.04Å; W485-F559 HydrophobicContact CE3-CG 4.03Å; W485-F559 HydrophobicContact CH2-CB 4.33Å; W485-F559 HydrophobicContact CZ3-CB 3.82Å; W485-F559 AromaticContact CZ3-CD1 3.86Å; W485-F559 HydrophobicContact CZ3-CD1 3.86Å; W485-F559 AromaticContact CZ3-CD2 3.96Å; W485-F559 HydrophobicContact CZ3-CD2 3.96Å; W485-F559 HydrophobicContact CZ3-CE1 4.38Å; W485-F559 HydrophobicContact CZ3-CE2 4.46Å; W485-F559 AromaticContact CZ3-CG 3.61Å; W485-F559 HydrophobicContact CZ3-CG 3.61Å; L508-F559 HydrophobicContact CD1-CE2 4.1Å; L508-F559 HydrophobicContact CD2-CD2 4.21Å; L508-F559 HydrophobicContact CD2-CE2 4.38Å; I512-F559 HydrophobicContact CD1-CE2 4.33Å; M554-F559 HydrophobicContact SD-CB 4.31Å; M554-F559 HydrophobicContact SD-CD2 4.05Å; T555-F559 PolarHBondContact O-N 3.07Å; W556-F559 HydrophobicContact CE3-CD1 4Å; W556-F559 AromaticContact CZ3-CD1 3.68Å; W556-F559 HydrophobicContact CZ3-CD1 3.68Å; W556-F559 HydrophobicContact CZ3-CE1 4.15Å; W556-F559 PolarHBondContact O-N 2.87Å; S557-F559 VanDerWaalsContact C-N 3.26Å; S557-F559 PolarHBondContact O-N 2.76Å; F559-F571 AromaticContact CD2-CD1 3.75Å; F559-F571 HydrophobicContact CD2-CD1 3.75Å; F559-F571 HydrophobicContact CD2-CE1 4.19Å; F559-F571 AromaticContact CE2-CD1 3.8Å; F559-F571 HydrophobicContact CE2-CD1 3.8Å; F559-F571 AromaticContact CE2-CE1 3.92Å; F559-F571 HydrophobicContact CE2-CE1 3.92Å; F559-W572 HydrophobicContact CD1-CB 4.23Å; F559-W572 HydrophobicContact CE1-CB 3.89Å; F559-W572 AromaticContact CE1-CD2 3.99Å; F559-W572 HydrophobicContact CE1-CD2 3.99Å; F559-W572 AromaticContact CE1-CE3 3.85Å; F559-W572 HydrophobicContact CE1-CE3 3.85Å; F559-W572 HydrophobicContact CE1-CG 4.03Å; F559-W572 HydrophobicContact CE2-CE3 4.15Å; F559-W572 HydrophobicContact CZ-CB 4.08Å; F559-W572 AromaticContact CZ-CD2 3.89Å; F559-W572 HydrophobicContact CZ-CD2 3.89Å; F559-W572 AromaticContact CZ-CE3 3.28Å; F559-W572 HydrophobicContact CZ-CE3 3.28Å; F559-W572 HydrophobicContact CZ-CG 4.25Å; F559-W572 HydrophobicContact CZ-CZ3 4Å; F559-W572 PolarHBondContact O-N 2.97Å; F559-W572 VanDerWaalsContact O-N 3.16Å
560	N	80.7	Confident	77.9	Confident	12 Å²	12	60.4 Å²	60.4	6%	0.064	33%	0.334	C	S	.	.	I	π-helix	trans	-136.5	-2.2	-168.9	-163.2	44	0	0	0	116.4	A481 W556 T570	A481-N560 HydrophobicContact CB-CB 4.4Å; W556-N560 HydrophobicContact CH2-CB 3.84Å; W556-N560 HydrophobicContact CZ2-CB 3.96Å; W556-N560 HydrophobicContact CZ3-CB 4.14Å; W556-N560 PolarHBondContact O-N 3.47Å; W556-N560 VanDerWaalsContact O-N 3.09Å; N560-T570 WeakPolarHBondContact O-CG2 3.42Å
561	R	75.7	Confident	78.6	Confident	116 Å²	116	53.6 Å²	53.6	44%	0.438	31%	0.308	S	S	.	.	I	π-helix	trans	-111.4	-38.5	176.6	-65.9	-175.9	171.7	175.4	-5.1	113.7	E438 S557	E438-R561 IonicContact OE1-CZ 3.36Å; E438-R561 VanDerWaalsContact OE1-CZ 3.3Å; E438-R561 IonicContact OE1-NE 3.15Å; E438-R561 PolarHBondContact OE1-NE 2.92Å; E438-R561 IonicContact OE1-NH2 2.67Å; E438-R561 PolarHBondContact OE1-NH2 2.73Å; E438-R561 VanDerWaalsContact OE1-NH2 3.07Å; E438-R561 IonicContact OE2-CZ 3.65Å; E438-R561 IonicContact OE2-NE 2.64Å; E438-R561 IonicContact OE2-NH2 3.55Å; E438-R561 PolarHBondContact OE2-NH2 2.79Å; S557-R561 CarbonylContact O-C 3.21Å; S557-R561 WeakPolarHBondContact O-CA 3.27Å; S557-R561 PolarHBondContact O-N 2.8Å
562	E	79.2	Confident	79.2	Confident	97 Å²	97	49 Å²	49	45%	0.453	28%	0.276	S	S	.	.	S	Bend	trans	-87.6	127.1	-178.2	-67.7	170.5	-148.6	0	0	109.8	S557	S557-E562 VanDerWaalsContact CB-OE1 3.24Å; S557-E562 WeakPolarHBondContact CB-OE1 3.37Å; S557-E562 PolarHBondContact O-N 2.94Å; S557-E562 PolarHBondContact OG-OE1 3.31Å
563	S	77.9	Confident	79.5	Confident	68 Å²	68	48.3 Å²	48.3	48%	0.476	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-70.4	142.8	172.1	-58.7	0	0	0	0	110	R567	S563-R567 WeakPolarHBondContact CB-O 3.42Å
564	L	76.3	Confident	79.8	Confident	14 Å²	14	45.1 Å²	45.1	7%	0.073	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-60.5	146.9	176.1	-70.6	172.3	0	0	0	110.8	K537 G566 R567 F569 F571	K537-L564 HydrophobicContact CG-CD1 4.33Å; L564-G566 PolarHBondContact O-N 2.81Å; L564-G566 VanDerWaalsContact O-N 3.12Å; L564-R567 HydrophobicContact CB-CB 4.43Å; L564-R567 PolarHBondContact O-N 2.76Å; L564-F569 HydrophobicContact CD1-CE2 4.43Å; L564-F569 PolarHBondContact N-O 3.2Å; L564-F571 HydrophobicContact CD2-CB 4.36Å
565	P	71	Confident	80	Confident	97 Å²	97	45 Å²	45	63%	0.63	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	120.8	-179.9	-27.2	35.2	0	0	0	112.1
566	G	63.4	Low	80.1	Confident	88 Å²	88	45.4 Å²	45.4	91%	0.907	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	16.7	-179.2	0	0	0	0	0	115.7	L564	L564-G566 PolarHBondContact O-N 2.81Å; L564-G566 VanDerWaalsContact O-N 3.12Å
567	R	72.2	Confident	80.2	Confident	69 Å²	69	44.4 Å²	44.4	26%	0.26	25%	0.251	S	S	.	.			trans	-137.4	164	-178.5	-54.9	-171	-167.7	166	1.4	113.4	S563 L564 F569 D622	S563-R567 WeakPolarHBondContact CB-O 3.42Å; L564-R567 HydrophobicContact CB-CB 4.43Å; L564-R567 PolarHBondContact O-N 2.76Å; R567-F569 HydrophobicContact CB-CD1 4.38Å; R567-F569 HydrophobicContact CB-CE1 4.24Å; R567-F569 HydrophobicContact CB-CZ 4.35Å; R567-F569 VanDerWaalsContact CD-CZ 3.4Å; R567-F569 HydrophobicContact CG-CZ 4.38Å; R567-D622 PolarHBondContact NE-O 3.25Å; R567-D622 PolarHBondContact NH1-O 2.78Å
568	N	78.8	Confident	80.5	Confident	163 Å²	163	43 Å²	43	87%	0.872	24%	0.241	S	C	*	.	S	Bend	trans	-101	10.6	-179.6	-64.2	-21.9	0	0	0	113.7
569	F	81	Confident	80.8	Confident	15 Å²	15	39.5 Å²	39.5	7%	0.066	23%	0.225	C	C	.	.	S	Bend	trans	-134.3	156.6	-177.6	55.6	-102.9	0	0	0	111.9	L564 R567 Q573 W574 D622 I625	L564-F569 HydrophobicContact CD1-CE2 4.43Å; L564-F569 PolarHBondContact N-O 3.2Å; R567-F569 HydrophobicContact CB-CD1 4.38Å; R567-F569 HydrophobicContact CB-CE1 4.24Å; R567-F569 HydrophobicContact CB-CZ 4.35Å; R567-F569 VanDerWaalsContact CD-CZ 3.4Å; R567-F569 HydrophobicContact CG-CZ 4.38Å; F569-Q573 HydrophobicContact CB-CB 4.34Å; F569-W574 HydrophobicContact CD2-CB 3.75Å; F569-W574 HydrophobicContact CE2-CB 3.59Å; F569-W574 AromaticContact CE2-CD1 3.7Å; F569-W574 AromaticContact CE2-CG 3.89Å; F569-W574 HydrophobicContact CE2-CG 3.89Å; F569-D622 WeakPolarHBondContact CZ-O 3.3Å; F569-I625 HydrophobicContact CB-CD1 3.73Å; F569-I625 HydrophobicContact CB-CG1 4.18Å; F569-I625 HydrophobicContact CD1-CD1 3.78Å; F569-I625 HydrophobicContact CD1-CG1 3.51Å; F569-I625 HydrophobicContact CD2-CG1 4.34Å; F569-I625 HydrophobicContact CE1-CG1 3.84Å; F569-I625 HydrophobicContact CG-CD1 3.89Å; F569-I625 HydrophobicContact CG-CG1 3.77Å; F569-I625 HydrophobicContact CZ-CG1 4.35Å
570	T	84.8	Confident	81	Confident	7 Å²	7	43.5 Å²	43.5	4%	0.043	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-84	165.4	-179.2	68.2	0	0	0	0	111.5	N560 W572 Q573 W574	N560-T570 WeakPolarHBondContact O-CG2 3.42Å; T570-W572 VanDerWaalsContact C-N 3.32Å; T570-W572 PolarHBondContact O-N 2.66Å; T570-Q573 VanDerWaalsContact N-OE1 3.14Å; T570-Q573 PolarHBondContact O-N 3.09Å; T570-Q573 VanDerWaalsContact OG1-CG 3.26Å; T570-Q573 WeakPolarHBondContact OG1-CG 3.38Å; T570-Q573 PolarHBondContact OG1-N 3.02Å; T570-W574 PolarHBondContact O-N 2.93Å
571	F	85.1	Confident	81.3	Confident	1 Å²	1	43 Å²	43	0%	0.004	24%	0.241	C	C	.	.	H	α-helix	trans	-57.2	-46.6	176.2	174.8	-95.5	0	0	0	111.6	W505 I512 L534 K537 A538 F559 L564 W574 F575	W505-F571 HydrophobicContact CH2-CZ 4.46Å; I512-F571 HydrophobicContact CD1-CE1 4.04Å; I512-F571 HydrophobicContact CD1-CZ 4.46Å; L534-F571 HydrophobicContact CB-CZ 4.32Å; L534-F571 HydrophobicContact CD2-CE2 4.11Å; L534-F571 HydrophobicContact CD2-CZ 3.99Å; K537-F571 HydrophobicContact CD-CD2 4.49Å; K537-F571 HydrophobicContact CD-CE2 4.41Å; A538-F571 HydrophobicContact CB-CD2 3.88Å; A538-F571 HydrophobicContact CB-CE2 3.89Å; A538-F571 HydrophobicContact CB-CG 4.45Å; A538-F571 HydrophobicContact CB-CZ 4.46Å; F559-F571 AromaticContact CD2-CD1 3.75Å; F559-F571 HydrophobicContact CD2-CD1 3.75Å; F559-F571 HydrophobicContact CD2-CE1 4.19Å; F559-F571 AromaticContact CE2-CD1 3.8Å; F559-F571 HydrophobicContact CE2-CD1 3.8Å; F559-F571 AromaticContact CE2-CE1 3.92Å; F559-F571 HydrophobicContact CE2-CE1 3.92Å; L564-F571 HydrophobicContact CD2-CB 4.36Å; F571-W574 PolarHBondContact O-N 3.16Å; F571-F575 PolarHBondContact O-N 2.73Å
572	W	87.6	Confident	81.7	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.7	-44	178.8	176.8	-103.2	0	0	0	112.9	N477 T480 A481 L484 K515 F559 T570 W574 F575 D576 M579	N477-W572 PolarHBondContact O-NE1 2.76Å; N477-W572 PolarHBondContact OD1-NE1 2.95Å; T480-W572 HydrophobicContact CG2-CZ2 3.92Å; A481-W572 HydrophobicContact CB-CB 4.48Å; A481-W572 HydrophobicContact CB-CD2 3.97Å; A481-W572 HydrophobicContact CB-CG 3.64Å; A481-W572 VanDerWaalsContact CB-NE1 3.3Å; L484-W572 HydrophobicContact CD2-CE3 4.14Å; L484-W572 HydrophobicContact CD2-CH2 3.53Å; L484-W572 HydrophobicContact CD2-CZ3 3.31Å; K515-W572 HydrophobicContact CG-CH2 4.48Å; F559-W572 HydrophobicContact CD1-CB 4.23Å; F559-W572 HydrophobicContact CE1-CB 3.89Å; F559-W572 AromaticContact CE1-CD2 3.99Å; F559-W572 HydrophobicContact CE1-CD2 3.99Å; F559-W572 AromaticContact CE1-CE3 3.85Å; F559-W572 HydrophobicContact CE1-CE3 3.85Å; F559-W572 HydrophobicContact CE1-CG 4.03Å; F559-W572 HydrophobicContact CE2-CE3 4.15Å; F559-W572 HydrophobicContact CZ-CB 4.08Å; F559-W572 AromaticContact CZ-CD2 3.89Å; F559-W572 HydrophobicContact CZ-CD2 3.89Å; F559-W572 AromaticContact CZ-CE3 3.28Å; F559-W572 HydrophobicContact CZ-CE3 3.28Å; F559-W572 HydrophobicContact CZ-CG 4.25Å; F559-W572 HydrophobicContact CZ-CZ3 4Å; F559-W572 PolarHBondContact O-N 2.97Å; F559-W572 VanDerWaalsContact O-N 3.16Å; T570-W572 VanDerWaalsContact C-N 3.32Å; T570-W572 PolarHBondContact O-N 2.66Å; W572-W574 PolarHBondContact O-N 3.17Å; W572-F575 HydrophobicContact CE3-CD1 4.21Å; W572-F575 AromaticContact CZ3-CD1 3.89Å; W572-F575 HydrophobicContact CZ3-CD1 3.89Å; W572-F575 HydrophobicContact CZ3-CE1 4.47Å; W572-F575 PolarHBondContact O-N 2.89Å; W572-F575 VanDerWaalsContact O-N 3.09Å; W572-D576 HydrophobicContact CZ2-CB 4.45Å; W572-D576 WeakPolarHBondContact O-CB 3.1Å; W572-D576 PolarHBondContact O-N 2.94Å; W572-M579 HydrophobicContact CH2-CE 3.68Å; W572-M579 HydrophobicContact CZ2-CE 4.23Å; W572-M579 HydrophobicContact CZ3-CE 4.1Å
573	Q	85.6	Confident	81.9	Confident	47 Å²	47	37 Å²	37	22%	0.22	22%	0.217	C	C	.	.	H	α-helix	trans	-58.8	-39.2	178.8	-76.4	171	-11.5	0	0	112.5	N478 F569 T570 G577	N478-Q573 PolarHBondContact OD1-NE2 3.38Å; N478-Q573 VanDerWaalsContact OD1-NE2 3.15Å; F569-Q573 HydrophobicContact CB-CB 4.34Å; T570-Q573 VanDerWaalsContact N-OE1 3.14Å; T570-Q573 PolarHBondContact O-N 3.09Å; T570-Q573 VanDerWaalsContact OG1-CG 3.26Å; T570-Q573 WeakPolarHBondContact OG1-CG 3.38Å; T570-Q573 PolarHBondContact OG1-N 3.02Å; Q573-G577 PolarHBondContact O-N 3.5Å; Q573-G577 VanDerWaalsContact O-N 3.08Å
574	W	87.3	Confident	82.1	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.3	-48.1	174	175.3	80.5	0	0	0	111.9	F533 L534 K537 F569 T570 F571 W572 G577 V578 F598 F620 S621	F533-W574 AromaticContact CE1-CH2 3.79Å; F533-W574 HydrophobicContact CE1-CH2 3.79Å; F533-W574 HydrophobicContact CE1-CZ2 4.34Å; L534-W574 HydrophobicContact CD2-CH2 4.16Å; L534-W574 HydrophobicContact CD2-CZ3 3.65Å; K537-W574 HydrophobicContact CD-CD2 4.2Å; K537-W574 HydrophobicContact CD-CE3 3.84Å; K537-W574 HydrophobicContact CD-CH2 3.91Å; K537-W574 HydrophobicContact CD-CZ2 4.21Å; K537-W574 HydrophobicContact CD-CZ3 3.69Å; K537-W574 VanDerWaalsContact CE-CD2 3.46Å; F569-W574 HydrophobicContact CD2-CB 3.75Å; F569-W574 HydrophobicContact CE2-CB 3.59Å; F569-W574 AromaticContact CE2-CD1 3.7Å; F569-W574 AromaticContact CE2-CG 3.89Å; F569-W574 HydrophobicContact CE2-CG 3.89Å; T570-W574 PolarHBondContact O-N 2.93Å; F571-W574 PolarHBondContact O-N 3.16Å; W572-W574 PolarHBondContact O-N 3.17Å; W574-G577 PolarHBondContact O-N 3.19Å; W574-V578 HydrophobicContact CD2-CG2 4.38Å; W574-V578 HydrophobicContact CH2-CG2 4.41Å; W574-V578 HydrophobicContact CZ2-CG2 4.01Å; W574-V578 WeakPolarHBondContact O-CG2 2.86Å; W574-V578 PolarHBondContact O-N 3.38Å; W574-F598 AromaticContact CH2-CD1 3.9Å; W574-F598 HydrophobicContact CH2-CD1 3.9Å; W574-F598 AromaticContact CH2-CE1 3.8Å; W574-F598 HydrophobicContact CH2-CE1 3.8Å; W574-F598 HydrophobicContact CZ3-CE1 4.22Å; W574-F620 HydrophobicContact CZ2-CB 4.28Å; W574-S621 PolarHBondContact NE1-O 3.39Å
575	F	87	Confident	82.3	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.5	-41.8	-178.5	-172.6	-100.8	0	0	0	112.2	I512 Y516 L526 L534 F571 W572 V578 M579 F598	I512-F575 HydrophobicContact CG2-CD1 4.33Å; I512-F575 HydrophobicContact CG2-CD2 4.48Å; I512-F575 HydrophobicContact CG2-CE1 3.54Å; I512-F575 HydrophobicContact CG2-CE2 3.72Å; I512-F575 HydrophobicContact CG2-CZ 3.19Å; Y516-F575 HydrophobicContact CD2-CE1 4.45Å; Y516-F575 HydrophobicContact CD2-CE2 4.3Å; Y516-F575 AromaticContact CD2-CZ 3.69Å; Y516-F575 HydrophobicContact CD2-CZ 3.69Å; Y516-F575 HydrophobicContact CG-CZ 4.33Å; L526-F575 HydrophobicContact CD1-CZ 4.43Å; L534-F575 HydrophobicContact CD1-CE2 4.2Å; L534-F575 HydrophobicContact CD2-CD2 4.14Å; L534-F575 HydrophobicContact CD2-CE2 4.38Å; F571-F575 PolarHBondContact O-N 2.73Å; W572-F575 HydrophobicContact CE3-CD1 4.21Å; W572-F575 AromaticContact CZ3-CD1 3.89Å; W572-F575 HydrophobicContact CZ3-CD1 3.89Å; W572-F575 HydrophobicContact CZ3-CE1 4.47Å; W572-F575 PolarHBondContact O-N 2.89Å; W572-F575 VanDerWaalsContact O-N 3.09Å; F575-V578 WeakPolarHBondContact O-CB 3.28Å; F575-V578 PolarHBondContact O-N 3.14Å; F575-M579 HydrophobicContact CD1-CE 3.63Å; F575-M579 HydrophobicContact CD1-CG 4.18Å; F575-M579 HydrophobicContact CD1-SD 3.94Å; F575-M579 HydrophobicContact CE1-CE 3.7Å; F575-M579 HydrophobicContact CE1-CG 3.79Å; F575-M579 HydrophobicContact CE1-SD 3.37Å; F575-M579 WeakPolarHBondContact CE1-SD 3.19Å; F575-M579 HydrophobicContact CZ-CG 4.2Å; F575-M579 HydrophobicContact CZ-SD 4.16Å; F575-M579 WeakPolarHBondContact O-CG 3.37Å; F575-M579 PolarHBondContact O-N 3.32Å; F575-F598 HydrophobicContact CD2-CE1 4.32Å; F575-F598 HydrophobicContact CE2-CE1 4.1Å; F575-F598 AromaticContact CE2-CZ 3.99Å; F575-F598 HydrophobicContact CE2-CZ 3.99Å
576	D	85.9	Confident	82.7	Confident	28 Å²	28	36.8 Å²	36.8	15%	0.15	20%	0.197	C	C	.	.	H	α-helix	trans	-62.8	-42.5	174.7	-171.2	54.6	0	0	0	111.8	N477 W572 V578 M579 E580	N477-D576 WeakPolarHBondContact CB-OD2 3.01Å; N477-D576 PolarHBondContact ND2-OD2 2.87Å; W572-D576 HydrophobicContact CZ2-CB 4.45Å; W572-D576 WeakPolarHBondContact O-CB 3.1Å; W572-D576 PolarHBondContact O-N 2.94Å; D576-V578 VanDerWaalsContact C-N 3.3Å; D576-V578 PolarHBondContact O-N 3.29Å; D576-M579 HydrophobicContact CB-CE 4.26Å; D576-M579 WeakPolarHBondContact O-CB 3.48Å; D576-M579 PolarHBondContact O-N 3.12Å; D576-M579 VanDerWaalsContact O-N 3.16Å; D576-E580 WeakPolarHBondContact O-CB 3.27Å; D576-E580 PolarHBondContact O-N 2.97Å
577	G	84.8	Confident	83.5	Confident	7 Å²	7	35 Å²	35	7%	0.072	17%	0.165	C	C	.	.	H	α-helix	trans	-60.4	-38.1	173.1	0	0	0	0	0	113.1	Q573 W574 L581 G626	Q573-G577 PolarHBondContact O-N 3.5Å; Q573-G577 VanDerWaalsContact O-N 3.08Å; W574-G577 PolarHBondContact O-N 3.19Å; G577-L581 WeakPolarHBondContact O-CB 3.28Å; G577-L581 PolarHBondContact O-N 2.75Å; G577-G626 VanDerWaalsContact C-CA 3.5Å; G577-G626 VanDerWaalsContact O-CA 3.31Å; G577-G626 WeakPolarHBondContact O-CA 3.32Å
578	V	86.5	Confident	83.9	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-66.1	-42.8	174	169	0	0	0	0	111.3	W574 F575 D576 T582 F598 F620	W574-V578 HydrophobicContact CD2-CG2 4.38Å; W574-V578 HydrophobicContact CH2-CG2 4.41Å; W574-V578 HydrophobicContact CZ2-CG2 4.01Å; W574-V578 WeakPolarHBondContact O-CG2 2.86Å; W574-V578 PolarHBondContact O-N 3.38Å; F575-V578 WeakPolarHBondContact O-CB 3.28Å; F575-V578 PolarHBondContact O-N 3.14Å; D576-V578 VanDerWaalsContact C-N 3.3Å; D576-V578 PolarHBondContact O-N 3.29Å; V578-T582 WeakPolarHBondContact O-CB 3.47Å; V578-T582 PolarHBondContact O-N 3.28Å; V578-T582 PolarHBondContact O-OG1 3.24Å; V578-F598 HydrophobicContact CG1-CE1 4.33Å; V578-F598 HydrophobicContact CG1-CZ 4.04Å; V578-F620 HydrophobicContact CG1-CD1 3.78Å; V578-F620 HydrophobicContact CG1-CD2 3.6Å; V578-F620 HydrophobicContact CG1-CE1 3.75Å; V578-F620 HydrophobicContact CG1-CE2 3.56Å; V578-F620 HydrophobicContact CG1-CG 3.72Å; V578-F620 HydrophobicContact CG1-CZ 3.64Å; V578-F620 HydrophobicContact CG2-CB 4.07Å; V578-F620 HydrophobicContact CG2-CD1 4.19Å; V578-F620 HydrophobicContact CG2-CG 4.02Å
579	M	86.2	Confident	84	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-62.2	-46.5	175.6	-73.4	-168.5	-64.5	0	0	111.8	K515 Y516 E519 W572 F575 D576 L581 T582 K583	K515-M579 HydrophobicContact CG-CE 4.38Å; K515-M579 HydrophobicContact CG-SD 4.07Å; Y516-M579 HydrophobicContact CD2-CG 3.71Å; Y516-M579 HydrophobicContact CD2-SD 4.34Å; Y516-M579 HydrophobicContact CE2-CG 4.14Å; E519-M579 HydrophobicContact CB-SD 4.39Å; E519-M579 HydrophobicContact CG-CB 4.33Å; W572-M579 HydrophobicContact CH2-CE 3.68Å; W572-M579 HydrophobicContact CZ2-CE 4.23Å; W572-M579 HydrophobicContact CZ3-CE 4.1Å; F575-M579 HydrophobicContact CD1-CE 3.63Å; F575-M579 HydrophobicContact CD1-CG 4.18Å; F575-M579 HydrophobicContact CD1-SD 3.94Å; F575-M579 HydrophobicContact CE1-CE 3.7Å; F575-M579 HydrophobicContact CE1-CG 3.79Å; F575-M579 HydrophobicContact CE1-SD 3.37Å; F575-M579 WeakPolarHBondContact CE1-SD 3.19Å; F575-M579 HydrophobicContact CZ-CG 4.2Å; F575-M579 HydrophobicContact CZ-SD 4.16Å; F575-M579 WeakPolarHBondContact O-CG 3.37Å; F575-M579 PolarHBondContact O-N 3.32Å; D576-M579 HydrophobicContact CB-CE 4.26Å; D576-M579 WeakPolarHBondContact O-CB 3.48Å; D576-M579 PolarHBondContact O-N 3.12Å; D576-M579 VanDerWaalsContact O-N 3.16Å; M579-L581 PolarHBondContact O-N 3.07Å; M579-T582 PolarHBondContact O-N 3.09Å; M579-K583 VanDerWaalsContact O-CB 3.27Å; M579-K583 WeakPolarHBondContact O-CB 3.45Å; M579-K583 PolarHBondContact O-N 3.17Å
580	E	84.7	Confident	84.1	Confident	84 Å²	84	26.6 Å²	26.6	39%	0.393	13%	0.127	S	C	.	.	H	α-helix	trans	-62.3	-43.9	179.9	-170.3	-178.2	-175.8	0	0	111.6	D576 T582 K583 K584	D576-E580 WeakPolarHBondContact O-CB 3.27Å; D576-E580 PolarHBondContact O-N 2.97Å; E580-T582 VanDerWaalsContact C-N 3.34Å; E580-T582 PolarHBondContact O-N 2.97Å; E580-K583 PolarHBondContact O-N 2.64Å; E580-K584 HydrophobicContact CG-CD 4.07Å; E580-K584 WeakPolarHBondContact O-CB 3.26Å; E580-K584 WeakPolarHBondContact O-CG 3.47Å; E580-K584 PolarHBondContact O-N 3.45Å; E580-K584 WeakPolarHBondContact OE1-CE 3.32Å; E580-K584 IonicContact OE1-NZ 3.4Å; E580-K584 PolarHBondContact OE1-NZ 2.75Å
581	L	85.8	Confident	83.8	Confident	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.6	-47.3	174.6	-175.6	72.4	0	0	0	111	G577 M579 K584 H585 L586 F620 G626 I628 F656	G577-L581 WeakPolarHBondContact O-CB 3.28Å; G577-L581 PolarHBondContact O-N 2.75Å; M579-L581 PolarHBondContact O-N 3.07Å; L581-K584 PolarHBondContact O-N 3.32Å; L581-H585 PolarHBondContact O-N 3.17Å; L581-L586 HydrophobicContact CD2-CD1 3.84Å; L581-L586 HydrophobicContact CG-CD1 3.9Å; L581-F620 HydrophobicContact CD2-CE1 4.47Å; L581-G626 WeakPolarHBondContact CD1-O 3.29Å; L581-G626 WeakPolarHBondContact CD2-O 3.44Å; L581-I628 HydrophobicContact CD2-CB 4.03Å; L581-I628 HydrophobicContact CD2-CG2 4.25Å; L581-F656 HydrophobicContact CD1-CD2 3.69Å; L581-F656 HydrophobicContact CD1-CE2 3.84Å; L581-F656 HydrophobicContact CD2-CE2 4.46Å
582	T	84.1	Confident	83.5	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.155	C	C	.	.	I	π-helix	trans	-63.8	-46	-177.9	-53.9	0	0	0	0	110.6	V520 V578 M579 E580 K584 L586 K587 W590	V520-T582 HydrophobicContact CG1-CG2 3.86Å; V520-T582 HydrophobicContact CG2-CG2 3.73Å; V578-T582 WeakPolarHBondContact O-CB 3.47Å; V578-T582 PolarHBondContact O-N 3.28Å; V578-T582 PolarHBondContact O-OG1 3.24Å; M579-T582 PolarHBondContact O-N 3.09Å; E580-T582 VanDerWaalsContact C-N 3.34Å; E580-T582 PolarHBondContact O-N 2.97Å; T582-K584 PolarHBondContact O-N 3.08Å; T582-L586 HydrophobicContact CG2-CB 4.29Å; T582-L586 CarbonylContact O-C 3.45Å; T582-L586 WeakPolarHBondContact O-CA 3.44Å; T582-L586 PolarHBondContact O-N 3.05Å; T582-K587 PolarHBondContact O-N 3.03Å; T582-W590 HydrophobicContact CG2-CB 4.09Å; T582-W590 HydrophobicContact CG2-CG 4.22Å
583	K	83.7	Confident	83	Confident	87 Å²	87	33.8 Å²	33.8	38%	0.378	18%	0.176	S	C	.	.	I	π-helix	trans	-60.6	-42.4	178.1	179.4	-175.7	-176.9	175	0	112.9	E519 M579 E580 K587	E519-K583 HydrophobicContact CG-CD 4.16Å; E519-K583 VanDerWaalsContact OE1-CD 3.27Å; E519-K583 WeakPolarHBondContact OE1-CD 3.4Å; E519-K583 WeakPolarHBondContact OE1-CE 3.32Å; E519-K583 IonicContact OE1-NZ 2.64Å; E519-K583 PolarHBondContact OE1-NZ 3.41Å; M579-K583 VanDerWaalsContact O-CB 3.27Å; M579-K583 WeakPolarHBondContact O-CB 3.45Å; M579-K583 PolarHBondContact O-N 3.17Å; E580-K583 PolarHBondContact O-N 2.64Å; K583-K587 VanDerWaalsContact O-CD 3.28Å; K583-K587 WeakPolarHBondContact O-CD 3.36Å; K583-K587 WeakPolarHBondContact O-CE 3.29Å; K583-K587 WeakPolarHBondContact O-CG 3.35Å
584	K	82.9	Confident	82.7	Confident	116 Å²	116	31.8 Å²	31.8	50%	0.504	17%	0.167	S	C	.	.	I	π-helix	trans	-80.7	-40.1	-174.1	-73.4	179.5	175.4	176.1	0	113.2	E580 L581 T582 T653	E580-K584 HydrophobicContact CG-CD 4.07Å; E580-K584 WeakPolarHBondContact O-CB 3.26Å; E580-K584 WeakPolarHBondContact O-CG 3.47Å; E580-K584 PolarHBondContact O-N 3.45Å; E580-K584 WeakPolarHBondContact OE1-CE 3.32Å; E580-K584 IonicContact OE1-NZ 3.4Å; E580-K584 PolarHBondContact OE1-NZ 2.75Å; L581-K584 PolarHBondContact O-N 3.32Å; T582-K584 PolarHBondContact O-N 3.08Å; K584-T653 HydrophobicContact CD-CG2 4.41Å
585	H	80	Confident	82.5	Confident	59 Å²	59	32.2 Å²	32.2	27%	0.273	17%	0.169	S	C	.	.	I	π-helix	trans	-126.9	-20.8	-167.5	-61.4	-67.8	0	0	0	114.9	L581 T653 F656	L581-H585 PolarHBondContact O-N 3.17Å; H585-T653 WeakPolarHBondContact NE2-CG2 3.42Å; H585-F656 HydrophobicContact CB-CB 4.14Å; H585-F656 HydrophobicContact CB-CD2 4.44Å; H585-F656 HydrophobicContact CB-CG 4.3Å
586	L	80.3	Confident	82.1	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.181	C	C	.	.	I	π-helix	trans	-117.5	2.2	-167.7	-46.4	172.1	0	0	0	115	L581 T582 H589 W590 I595 F620 I628 L661	L581-L586 HydrophobicContact CD2-CD1 3.84Å; L581-L586 HydrophobicContact CG-CD1 3.9Å; T582-L586 HydrophobicContact CG2-CB 4.29Å; T582-L586 CarbonylContact O-C 3.45Å; T582-L586 WeakPolarHBondContact O-CA 3.44Å; T582-L586 PolarHBondContact O-N 3.05Å; L586-H589 PolarHBondContact O-N 2.81Å; L586-H589 VanDerWaalsContact O-N 3.14Å; L586-W590 PolarHBondContact O-N 2.64Å; L586-I595 HydrophobicContact CB-CD1 3.74Å; L586-I595 HydrophobicContact CD1-CD1 4.04Å; L586-I595 HydrophobicContact CD2-CD1 4.27Å; L586-I595 HydrophobicContact CG-CD1 4.25Å; L586-F620 HydrophobicContact CD1-CE1 4.23Å; L586-I628 HydrophobicContact CD1-CD1 3.86Å; L586-L661 HydrophobicContact CD2-CB 4.16Å; L586-L661 HydrophobicContact CD2-CD2 3.45Å; L586-L661 VanDerWaalsContact CD2-CD2 3.45Å; L586-L661 HydrophobicContact CD2-CG 4.41Å
587	K	80.5	Confident	81.9	Confident	50 Å²	50	33.1 Å²	33.1	22%	0.217	17%	0.174	C	C	.	.	H	α-helix	trans	-42.8	-56	178.6	-77.1	-176.3	171.3	-174.7	0	114.5	T582 K583 W590 N591	T582-K587 PolarHBondContact O-N 3.03Å; K583-K587 VanDerWaalsContact O-CD 3.28Å; K583-K587 WeakPolarHBondContact O-CD 3.36Å; K583-K587 WeakPolarHBondContact O-CE 3.29Å; K583-K587 WeakPolarHBondContact O-CG 3.35Å; K587-W590 PolarHBondContact O-N 3.39Å; K587-N591 PolarHBondContact O-N 3.38Å; K587-N591 VanDerWaalsContact O-N 3.08Å; K587-N591 PolarHBondContact O-OD1 3.39Å
588	P	80.1	Confident	81.8	Confident	49 Å²	49	33 Å²	33	32%	0.318	17%	0.171	S	C	.	.	H	α-helix	trans	-66.7	-40.9	-177.6	24.2	-32.6	0	0	0	112.5	W590 N591 D592 Y687	P588-W590 VanDerWaalsContact C-N 3.31Å; P588-W590 PolarHBondContact O-N 3.19Å; P588-N591 PolarHBondContact O-N 3.25Å; P588-D592 PolarHBondContact O-N 3.42Å; P588-Y687 HydrophobicContact CB-CD1 4.32Å; P588-Y687 HydrophobicContact CB-CE1 3.48Å; P588-Y687 VanDerWaalsContact CB-CE1 3.48Å; P588-Y687 HydrophobicContact CG-CD1 4.4Å; P588-Y687 HydrophobicContact CG-CE1 4.03Å
589	H	80.8	Confident	81.7	Confident	10 Å²	10	33.4 Å²	33.4	5%	0.046	17%	0.174	C	C	.	.	H	α-helix	trans	-63.5	-35.7	178.3	-55.1	91.3	0	0	0	112.6	L586 G593 A594 I595 F684 Y687	L586-H589 PolarHBondContact O-N 2.81Å; L586-H589 VanDerWaalsContact O-N 3.14Å; H589-G593 PolarHBondContact O-N 3.06Å; H589-A594 WeakPolarHBondContact O-CB 3.46Å; H589-A594 PolarHBondContact O-N 3.35Å; H589-I595 HydrophobicContact CB-CD1 3.7Å; H589-I595 HydrophobicContact CB-CG1 4.09Å; H589-F684 AromaticContact CD2-CD1 3.74Å; H589-F684 AromaticContact CD2-CE1 3.63Å; H589-Y687 AromaticContact CD2-CD2 3.88Å; H589-Y687 AromaticContact NE2-CD2 3.69Å; H589-Y687 AromaticContact NE2-CG 3.78Å
590	W	82.3	Confident	81.4	Confident	12 Å²	12	35.4 Å²	35.4	5%	0.045	18%	0.184	C	C	.	.	H	α-helix	trans	-69	-44.7	174.6	-175.3	-94.2	0	0	0	111.7	Y516 V520 K524 T582 L586 K587 P588 D592 G593 I595 F598 F620	Y516-W590 HydrophobicContact CE1-CD2 4.33Å; Y516-W590 AromaticContact CE1-CE2 3.49Å; Y516-W590 VanDerWaalsContact CE1-CE2 3.49Å; Y516-W590 HydrophobicContact CE1-CH2 4.28Å; Y516-W590 AromaticContact CE1-CZ2 3.46Å; Y516-W590 HydrophobicContact CE1-CZ2 3.46Å; Y516-W590 VanDerWaalsContact CE1-CZ2 3.46Å; Y516-W590 AromaticContact CE1-NE1 3.57Å; Y516-W590 AromaticContact CZ-CE2 3.87Å; Y516-W590 AromaticContact CZ-CZ2 3.8Å; Y516-W590 WeakPolarHBondContact OH-CZ2 3.31Å; V520-W590 HydrophobicContact CG1-CB 4.37Å; V520-W590 HydrophobicContact CG1-CG 4.11Å; K524-W590 PolarHBondContact O-NE1 3.02Å; T582-W590 HydrophobicContact CG2-CB 4.09Å; T582-W590 HydrophobicContact CG2-CG 4.22Å; L586-W590 PolarHBondContact O-N 2.64Å; K587-W590 PolarHBondContact O-N 3.39Å; P588-W590 VanDerWaalsContact C-N 3.31Å; P588-W590 PolarHBondContact O-N 3.19Å; W590-D592 VanDerWaalsContact C-N 3.3Å; W590-D592 PolarHBondContact O-N 3.27Å; W590-G593 PolarHBondContact O-N 3.44Å; W590-I595 HydrophobicContact CE3-CB 3.94Å; W590-I595 HydrophobicContact CE3-CG2 3.95Å; W590-I595 HydrophobicContact CZ3-CB 4.32Å; W590-I595 HydrophobicContact CZ3-CG2 3.97Å; W590-F598 HydrophobicContact CH2-CD2 4.08Å; W590-F598 AromaticContact CH2-CE2 3.87Å; W590-F598 HydrophobicContact CH2-CE2 3.87Å; W590-F598 HydrophobicContact CZ3-CE2 4.46Å; W590-F620 HydrophobicContact CZ3-CE2 4.02Å; W590-F620 HydrophobicContact CZ3-CZ 4.27Å
591	N	79.6	Confident	81.2	Confident	57 Å²	57	37.5 Å²	37.5	31%	0.305	19%	0.192	S	C	.	.	H	α-helix	trans	-61.5	-38.7	179.2	-69.3	-9.1	0	0	0	112.2	S522 K524 K587 P588 G593	S522-N591 WeakPolarHBondContact CB-OD1 3.33Å; S522-N591 PolarHBondContact OG-OD1 3.4Å; K524-N591 WeakPolarHBondContact CD-O 3.08Å; K524-N591 WeakPolarHBondContact CE-O 3.28Å; K524-N591 PolarHBondContact NZ-O 2.69Å; K587-N591 PolarHBondContact O-N 3.38Å; K587-N591 VanDerWaalsContact O-N 3.08Å; K587-N591 PolarHBondContact O-OD1 3.39Å; P588-N591 PolarHBondContact O-N 3.25Å; N591-G593 PolarHBondContact O-N 3.25Å
592	D	77.9	Confident	81	Confident	61 Å²	61	44.4 Å²	44.4	33%	0.326	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-9.8	176.9	-77.8	15.5	0	0	0	112.8	P588 W590 A594 Y687	P588-D592 PolarHBondContact O-N 3.42Å; W590-D592 VanDerWaalsContact C-N 3.3Å; W590-D592 PolarHBondContact O-N 3.27Å; D592-A594 VanDerWaalsContact C-N 3.29Å; D592-Y687 PolarHBondContact OD2-OH 2.68Å
593	G	77.1	Confident	80.8	Confident	42 Å²	42	46.7 Å²	46.7	43%	0.433	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	25.6	-176.3	0	0	0	0	0	112.7	H589 W590 N591 I595	H589-G593 PolarHBondContact O-N 3.06Å; W590-G593 PolarHBondContact O-N 3.44Å; N591-G593 PolarHBondContact O-N 3.25Å; G593-I595 VanDerWaalsContact C-N 3.25Å
594	A	78.9	Confident	80.7	Confident	5 Å²	5	42.6 Å²	42.6	4%	0.041	22%	0.217	C	C	.	.			trans	-76.2	-17.3	177.3	0	0	0	0	0	112.5	H589 D592 L674 V683 F684	H589-A594 WeakPolarHBondContact O-CB 3.46Å; H589-A594 PolarHBondContact O-N 3.35Å; D592-A594 VanDerWaalsContact C-N 3.29Å; A594-L674 HydrophobicContact CB-CD2 3.97Å; A594-V683 HydrophobicContact CB-CG1 3.54Å; A594-F684 HydrophobicContact CB-CE1 4.33Å; A594-F684 HydrophobicContact CB-CZ 4.09Å
595	I	82.6	Confident	80.7	Confident	8 Å²	8	41.3 Å²	41.3	4%	0.041	21%	0.213	C	C	.	.			trans	-109.2	119.1	-179.6	-59.7	172.4	0	0	0	108.6	L586 H589 W590 G593 L618 F620 I628	L586-I595 HydrophobicContact CB-CD1 3.74Å; L586-I595 HydrophobicContact CD1-CD1 4.04Å; L586-I595 HydrophobicContact CD2-CD1 4.27Å; L586-I595 HydrophobicContact CG-CD1 4.25Å; H589-I595 HydrophobicContact CB-CD1 3.7Å; H589-I595 HydrophobicContact CB-CG1 4.09Å; W590-I595 HydrophobicContact CE3-CB 3.94Å; W590-I595 HydrophobicContact CE3-CG2 3.95Å; W590-I595 HydrophobicContact CZ3-CB 4.32Å; W590-I595 HydrophobicContact CZ3-CG2 3.97Å; G593-I595 VanDerWaalsContact C-N 3.25Å; I595-L618 HydrophobicContact CG1-CB 4.37Å; I595-L618 HydrophobicContact CG1-CD1 3.82Å; I595-L618 HydrophobicContact CG2-CB 4.3Å; I595-F620 HydrophobicContact CG2-CZ 4.28Å; I595-I628 HydrophobicContact CD1-CD1 4.21Å; I595-I628 HydrophobicContact CG2-CD1 4.23Å
596	L	79.3	Confident	80.8	Confident	48 Å²	48	43.2 Å²	43.2	25%	0.251	23%	0.225	S	C	.	.			trans	-76.3	-39.7	171.8	-163.2	65.6	0	0	0	110.1	F598 V599 M607 L618 Y675	L596-F598 PolarHBondContact O-N 2.83Å; L596-V599 HydrophobicContact CB-CG2 4.41Å; L596-V599 HydrophobicContact CD2-CG2 3.56Å; L596-V599 HydrophobicContact CG-CG2 3.66Å; L596-M607 HydrophobicContact CD2-CE 3.86Å; L596-M607 HydrophobicContact CD2-SD 4.43Å; L596-L618 PolarHBondContact N-O 3.03Å; L596-Y675 HydrophobicContact CD2-CD1 4.28Å
597	G	82.5	Confident	80.9	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	77.6	-78	164.5	0	0	0	0	0	113.7	V599 L618 R619 F620	G597-V599 PolarHBondContact O-N 3.23Å; G597-V599 VanDerWaalsContact O-N 3.15Å; G597-L618 PolarHBondContact N-O 3.03Å; G597-R619 CarbonylContact O-C 3.5Å; G597-R619 WeakPolarHBondContact O-CA 3.42Å; G597-F620 VanDerWaalsContact C-CD2 3.48Å; G597-F620 VanDerWaalsContact CA-CD2 3.48Å; G597-F620 PolarHBondContact O-N 3.35Å
598	F	82.8	Confident	81	Confident	4 Å²	4	43 Å²	43	2%	0.018	23%	0.226	C	C	.	.			trans	-91.2	74.4	-167.7	-64.8	-82.2	0	0	0	111.6	Y516 L526 N530 F533 L534 W574 F575 V578 W590 L596 F620	Y516-F598 HydrophobicContact CE2-CE2 4.39Å; Y516-F598 HydrophobicContact CE2-CZ 4.18Å; L526-F598 HydrophobicContact CD2-CD2 3.87Å; L526-F598 HydrophobicContact CD2-CE2 3.3Å; L526-F598 HydrophobicContact CD2-CZ 3.85Å; N530-F598 HydrophobicContact CB-CB 3.87Å; N530-F598 HydrophobicContact CB-CD2 3.94Å; N530-F598 HydrophobicContact CB-CG 4.12Å; F533-F598 HydrophobicContact CB-CB 4.26Å; F533-F598 WeakPolarHBondContact CB-O 3.29Å; F533-F598 HydrophobicContact CD1-CB 3.58Å; F533-F598 AromaticContact CD1-CD1 3.89Å; F533-F598 HydrophobicContact CD1-CD1 3.89Å; F533-F598 HydrophobicContact CD1-CG 4.23Å; F533-F598 HydrophobicContact CE1-CB 4.15Å; F533-F598 AromaticContact CE1-CD1 3.96Å; F533-F598 HydrophobicContact CE1-CD1 3.96Å; F533-F598 HydrophobicContact CG-CB 4.01Å; F533-F598 WeakPolarHBondContact CG-O 3.33Å; L534-F598 HydrophobicContact CD2-CD1 3.86Å; L534-F598 HydrophobicContact CD2-CE1 3.89Å; L534-F598 HydrophobicContact CG-CD1 4.29Å; W574-F598 AromaticContact CH2-CD1 3.9Å; W574-F598 HydrophobicContact CH2-CD1 3.9Å; W574-F598 AromaticContact CH2-CE1 3.8Å; W574-F598 HydrophobicContact CH2-CE1 3.8Å; W574-F598 HydrophobicContact CZ3-CE1 4.22Å; F575-F598 HydrophobicContact CD2-CE1 4.32Å; F575-F598 HydrophobicContact CE2-CE1 4.1Å; F575-F598 AromaticContact CE2-CZ 3.99Å; F575-F598 HydrophobicContact CE2-CZ 3.99Å; V578-F598 HydrophobicContact CG1-CE1 4.33Å; V578-F598 HydrophobicContact CG1-CZ 4.04Å; W590-F598 HydrophobicContact CH2-CD2 4.08Å; W590-F598 AromaticContact CH2-CE2 3.87Å; W590-F598 HydrophobicContact CH2-CE2 3.87Å; W590-F598 HydrophobicContact CZ3-CE2 4.46Å; L596-F598 PolarHBondContact O-N 2.83Å; F598-F620 HydrophobicContact CD1-CD2 4.3Å; F598-F620 HydrophobicContact CD2-CD2 4.32Å; F598-F620 HydrophobicContact CD2-CE2 4.21Å; F598-F620 HydrophobicContact CE1-CD2 4.14Å; F598-F620 HydrophobicContact CE1-CE2 4.49Å; F598-F620 HydrophobicContact CE2-CD2 4.16Å; F598-F620 AromaticContact CE2-CE2 3.81Å; F598-F620 HydrophobicContact CE2-CE2 3.81Å; F598-F620 HydrophobicContact CG-CD2 4.38Å; F598-F620 HydrophobicContact CZ-CD2 4.08Å; F598-F620 AromaticContact CZ-CE2 3.97Å; F598-F620 HydrophobicContact CZ-CE2 3.97Å
599	V	83	Confident	81	Confident	9 Å²	9	44.3 Å²	44.3	6%	0.055	23%	0.228	C	C	.	.			trans	-136	132.8	-177.5	-175	0	0	0	0	111.5	L596 G597 Q603 A604 M607	L596-V599 HydrophobicContact CB-CG2 4.41Å; L596-V599 HydrophobicContact CD2-CG2 3.56Å; L596-V599 HydrophobicContact CG-CG2 3.66Å; G597-V599 PolarHBondContact O-N 3.23Å; G597-V599 VanDerWaalsContact O-N 3.15Å; V599-Q603 HydrophobicContact CG1-CB 3.67Å; V599-A604 HydrophobicContact CG1-CB 3.93Å; V599-M607 HydrophobicContact CG1-SD 4.29Å
600	N	81.6	Confident	80.9	Confident	42 Å²	42	48 Å²	48	23%	0.225	26%	0.255	C	S	.	.			trans	-69.3	154.6	178.2	-81.4	-46.4	0	0	0	111.3	F533 Q536 Q602 Q603 A604	F533-N600 HydrophobicContact CD2-CB 4.32Å; F533-N600 HydrophobicContact CE2-CB 4.11Å; F533-N600 VanDerWaalsContact CE2-CG 3.42Å; F533-N600 VanDerWaalsContact CE2-N 3.26Å; F533-N600 WeakPolarHBondContact CE2-OD1 3.16Å; Q536-N600 PolarHBondContact OE1-ND2 3.39Å; N600-Q602 PolarHBondContact O-N 2.83Å; N600-Q603 HydrophobicContact CB-CB 4.29Å; N600-Q603 HydrophobicContact CB-CG 4.22Å; N600-Q603 PolarHBondContact O-N 3.12Å; N600-A604 VanDerWaalsContact O-CB 3.32Å; N600-A604 WeakPolarHBondContact O-CB 3.29Å; N600-A604 PolarHBondContact O-N 2.83Å
601	K	80.4	Confident	80.8	Confident	129 Å²	129	49.5 Å²	49.5	56%	0.561	26%	0.262	S	S	*	.	H	α-helix	trans	-53.6	-40.7	175.6	-173.9	-178	177	-175.2	0	112.6	Q605	K601-Q605 WeakPolarHBondContact O-CB 3.35Å; K601-Q605 PolarHBondContact O-N 3.32Å
602	Q	80.8	Confident	80.7	Confident	144 Å²	144	49.8 Å²	49.8	67%	0.673	27%	0.267	S	S	*	.	H	α-helix	trans	-70	-48.3	179.5	-171.2	168.3	12.5	0	0	112	N600 A604 Q605 D606	N600-Q602 PolarHBondContact O-N 2.83Å; Q602-A604 VanDerWaalsContact C-N 3.33Å; Q602-A604 PolarHBondContact O-N 2.85Å; Q602-Q605 WeakPolarHBondContact O-CA 3.41Å; Q602-Q605 WeakPolarHBondContact O-CB 3.38Å; Q602-Q605 PolarHBondContact O-N 2.79Å; Q602-D606 VanDerWaalsContact O-CG 3.31Å; Q602-D606 PolarHBondContact O-N 3.02Å
603	Q	80	Confident	80.7	Confident	49 Å²	49	49.4 Å²	49.4	23%	0.229	27%	0.265	C	S	.	.	H	α-helix	trans	-59	-44	175.3	-71.8	166.6	-15.7	0	0	111.6	V599 N600 Q605 D606 M607	V599-Q603 HydrophobicContact CG1-CB 3.67Å; N600-Q603 HydrophobicContact CB-CB 4.29Å; N600-Q603 HydrophobicContact CB-CG 4.22Å; N600-Q603 PolarHBondContact O-N 3.12Å; Q603-Q605 VanDerWaalsContact C-N 3.28Å; Q603-Q605 PolarHBondContact O-N 3.3Å; Q603-D606 PolarHBondContact O-N 2.9Å; Q603-M607 WeakPolarHBondContact O-CB 3.37Å; Q603-M607 WeakPolarHBondContact O-CG 3.4Å; Q603-M607 PolarHBondContact O-N 3.01Å
604	A	81.6	Confident	80.6	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.7	-39.4	175.6	0	0	0	0	0	111.7	V599 N600 Q602 L608 L617	V599-A604 HydrophobicContact CG1-CB 3.93Å; N600-A604 VanDerWaalsContact O-CB 3.32Å; N600-A604 WeakPolarHBondContact O-CB 3.29Å; N600-A604 PolarHBondContact O-N 2.83Å; Q602-A604 VanDerWaalsContact C-N 3.33Å; Q602-A604 PolarHBondContact O-N 2.85Å; A604-L608 VanDerWaalsContact O-CB 3.29Å; A604-L608 WeakPolarHBondContact O-CB 3.31Å; A604-L608 WeakPolarHBondContact O-CG 3.36Å; A604-L608 PolarHBondContact O-N 3.03Å; A604-L617 HydrophobicContact CB-CD1 4.04Å; A604-L617 HydrophobicContact CB-CD2 3.99Å
605	Q	82.4	Confident	80.9	Confident	89 Å²	89	47.4 Å²	47.4	42%	0.416	25%	0.245	S	C	.	.	H	α-helix	trans	-64.2	-48.3	176	-178.9	173.4	-13.4	0	0	111.3	K601 Q602 Q603 M607 L608 M609 V645	K601-Q605 WeakPolarHBondContact O-CB 3.35Å; K601-Q605 PolarHBondContact O-N 3.32Å; Q602-Q605 WeakPolarHBondContact O-CA 3.41Å; Q602-Q605 WeakPolarHBondContact O-CB 3.38Å; Q602-Q605 PolarHBondContact O-N 2.79Å; Q603-Q605 VanDerWaalsContact C-N 3.28Å; Q603-Q605 PolarHBondContact O-N 3.3Å; Q605-M607 PolarHBondContact O-N 3.08Å; Q605-L608 PolarHBondContact O-N 2.79Å; Q605-M609 HydrophobicContact CG-CG 4.16Å; Q605-M609 WeakPolarHBondContact O-CB 3.49Å; Q605-M609 WeakPolarHBondContact O-CG 3.4Å; Q605-M609 PolarHBondContact O-N 3.09Å; Q605-V645 HydrophobicContact CB-CG2 4.47Å; Q605-V645 HydrophobicContact CG-CB 4.31Å; Q605-V645 HydrophobicContact CG-CG2 4.04Å
606	D	83.4	Confident	81	Confident	100 Å²	100	47 Å²	47	54%	0.535	24%	0.243	S	C	.	.	H	α-helix	trans	-63.2	-43.3	-179.2	-62.6	-28.9	0	0	0	111.7	Q602 Q603 S610	Q602-D606 VanDerWaalsContact O-CG 3.31Å; Q602-D606 PolarHBondContact O-N 3.02Å; Q603-D606 PolarHBondContact O-N 2.9Å; D606-S610 PolarHBondContact O-N 2.85Å
607	M	81.8	Confident	81.3	Confident	45 Å²	45	44.8 Å²	44.8	22%	0.222	23%	0.232	C	C	.	.	H	α-helix	trans	-63.4	-44.3	177.7	-68.5	173	79.2	0	0	111.9	L596 V599 Q603 Q605 S610 Y675	L596-M607 HydrophobicContact CD2-CE 3.86Å; L596-M607 HydrophobicContact CD2-SD 4.43Å; V599-M607 HydrophobicContact CG1-SD 4.29Å; Q603-M607 WeakPolarHBondContact O-CB 3.37Å; Q603-M607 WeakPolarHBondContact O-CG 3.4Å; Q603-M607 PolarHBondContact O-N 3.01Å; Q605-M607 PolarHBondContact O-N 3.08Å; M607-S610 PolarHBondContact O-OG 2.83Å; M607-Y675 HydrophobicContact CB-CE2 4.49Å; M607-Y675 HydrophobicContact CE-CD1 4.14Å; M607-Y675 HydrophobicContact CE-CE1 3.38Å; M607-Y675 HydrophobicContact CE-CE2 4.13Å; M607-Y675 WeakPolarHBondContact CE-OH 3.46Å
608	L	81.4	Confident	81.5	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-74.9	-33.4	-178.7	-71.1	174.2	0	0	0	113.2	A604 Q605 S610 K611 T615 L617 A631 V633 V645	A604-L608 VanDerWaalsContact O-CB 3.29Å; A604-L608 WeakPolarHBondContact O-CB 3.31Å; A604-L608 WeakPolarHBondContact O-CG 3.36Å; A604-L608 PolarHBondContact O-N 3.03Å; Q605-L608 PolarHBondContact O-N 2.79Å; L608-S610 PolarHBondContact O-N 3.3Å; L608-K611 PolarHBondContact O-N 3.39Å; L608-K611 VanDerWaalsContact O-N 3.12Å; L608-T615 HydrophobicContact CD2-CG2 4.12Å; L608-L617 HydrophobicContact CD1-CD2 3.87Å; L608-L617 HydrophobicContact CD1-CG 3.97Å; L608-L617 HydrophobicContact CD2-CD2 3.9Å; L608-L617 HydrophobicContact CD2-CG 4.18Å; L608-L617 HydrophobicContact CG-CD2 3.62Å; L608-L617 HydrophobicContact CG-CG 4.16Å; L608-A631 HydrophobicContact CD1-CB 3.76Å; L608-V633 HydrophobicContact CB-CB 4.25Å; L608-V645 HydrophobicContact CB-CG2 3.91Å; L608-V645 HydrophobicContact CD1-CG1 3.64Å; L608-V645 HydrophobicContact CD1-CG2 4.47Å
609	M	80.9	Confident	81.7	Confident	76 Å²	76	45.7 Å²	45.7	37%	0.374	24%	0.235	S	C	.	.	H	α-helix	trans	-63.7	-27.4	177.9	-75.7	-66.7	-71.4	0	0	112.6	Q605 K611 R643 V645	Q605-M609 HydrophobicContact CG-CG 4.16Å; Q605-M609 WeakPolarHBondContact O-CB 3.49Å; Q605-M609 WeakPolarHBondContact O-CG 3.4Å; Q605-M609 PolarHBondContact O-N 3.09Å; M609-K611 VanDerWaalsContact C-N 3.26Å; M609-K611 PolarHBondContact O-N 3.38Å; M609-R643 HydrophobicContact CE-CB 4.15Å; M609-R643 HydrophobicContact SD-CB 4.12Å; M609-V645 HydrophobicContact CG-CG2 4Å; M609-V645 HydrophobicContact SD-CG2 4.07Å
610	S	78.6	Confident	81.9	Confident	88 Å²	88	45.3 Å²	45.3	62%	0.615	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-8.4	176.9	75.8	0	0	0	0	114.5	D606 M607 L608	D606-S610 PolarHBondContact O-N 2.85Å; M607-S610 PolarHBondContact O-OG 2.83Å; L608-S610 PolarHBondContact O-N 3.3Å
611	K	79.6	Confident	82	Confident	44 Å²	44	43.4 Å²	43.4	19%	0.191	22%	0.223	C	C	.	.	S	Bend	trans	-113.8	165.3	-168.1	-73	-64	-171.5	168.4	0	113.1	L608 M609 T615 Y675 P676 D677	L608-K611 PolarHBondContact O-N 3.39Å; L608-K611 VanDerWaalsContact O-N 3.12Å; M609-K611 VanDerWaalsContact C-N 3.26Å; M609-K611 PolarHBondContact O-N 3.38Å; K611-T615 HydrophobicContact CB-CG2 4.06Å; K611-T615 HydrophobicContact CG-CG2 4.47Å; K611-Y675 HydrophobicContact CG-CD2 4.33Å; K611-Y675 HydrophobicContact CG-CE2 4.31Å; K611-P676 WeakPolarHBondContact CE-O 3.33Å; K611-P676 PolarHBondContact NZ-O 2.96Å; K611-D677 VanDerWaalsContact NZ-CG 3.31Å; K611-D677 IonicContact NZ-OD1 3.31Å; K611-D677 PolarHBondContact NZ-OD1 3.39Å; K611-D677 IonicContact NZ-OD2 2.78Å; K611-D677 PolarHBondContact NZ-OD2 3.39Å
612	P	77.8	Confident	81.8	Confident	62 Å²	62	38 Å²	38	40%	0.403	20%	0.2	S	C	.	.			trans	-68.2	156	-179.8	26	-33.7	0	0	0	112.8	T615 V633	P612-T615 VanDerWaalsContact O-CB 3.29Å; P612-T615 WeakPolarHBondContact O-CB 3.48Å; P612-T615 PolarHBondContact O-N 2.79Å; P612-T615 VanDerWaalsContact O-N 3.15Å; P612-T615 PolarHBondContact O-OG1 2.9Å; P612-V633 VanDerWaalsContact O-CG1 3.26Å; P612-V633 WeakPolarHBondContact O-CG1 3.33Å
613	N	78.4	Confident	81.5	Confident	53 Å²	53	35.8 Å²	35.8	28%	0.283	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	138.9	177.7	-63.3	-13.6	0	0	0	111.1	T615 E635	N613-T615 VanDerWaalsContact C-N 3.31Å; N613-E635 PolarHBondContact ND2-OE1 3.04Å
614	G	75.4	Confident	81.3	Confident	6 Å²	6	36.9 Å²	36.9	6%	0.062	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	2	-175.3	0	0	0	0	0	114.3	V633 H670 L672 F673	G614-V633 PolarHBondContact N-O 3.22Å; G614-H670 WeakPolarHBondContact CA-O 3.27Å; G614-L672 PolarHBondContact O-N 3.15Å; G614-F673 PolarHBondContact O-N 3.46Å; G614-F673 VanDerWaalsContact O-N 3.09Å
615	T	83.8	Confident	81.2	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	132	168.1	-52.1	0	0	0	0	109.8	L608 K611 P612 N613 W632 V633 F673	L608-T615 HydrophobicContact CD2-CG2 4.12Å; K611-T615 HydrophobicContact CB-CG2 4.06Å; K611-T615 HydrophobicContact CG-CG2 4.47Å; P612-T615 VanDerWaalsContact O-CB 3.29Å; P612-T615 WeakPolarHBondContact O-CB 3.48Å; P612-T615 PolarHBondContact O-N 2.79Å; P612-T615 VanDerWaalsContact O-N 3.15Å; P612-T615 PolarHBondContact O-OG1 2.9Å; N613-T615 VanDerWaalsContact C-N 3.31Å; T615-W632 VanDerWaalsContact O-CA 3.29Å; T615-W632 WeakPolarHBondContact O-CA 3.27Å; T615-V633 PolarHBondContact O-N 3.5Å; T615-F673 CarbonylContact C-O 3.51Å; T615-F673 WeakPolarHBondContact CA-O 3.41Å
616	F	84.9	Confident	81	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	157.5	178.9	74.6	-83.7	0	0	0	112.7	L618 I630 A631 W632 I665 L671 F673 L674 Y675 K680 F684	F616-L618 HydrophobicContact CD2-CD2 4.43Å; F616-L618 HydrophobicContact CE2-CD2 4.38Å; F616-L618 HydrophobicContact CE2-CG 4.46Å; F616-I630 HydrophobicContact CB-CG2 4.29Å; F616-I630 HydrophobicContact CD2-CG2 3.92Å; F616-I630 HydrophobicContact CG-CG2 4.46Å; F616-A631 CarbonylContact C-O 3.55Å; F616-A631 WeakPolarHBondContact CA-O 3.03Å; F616-A631 WeakPolarHBondContact CB-O 3.41Å; F616-W632 HydrophobicContact CB-CB 3.64Å; F616-I665 HydrophobicContact CE2-CD1 4.41Å; F616-I665 HydrophobicContact CE2-CG2 4.21Å; F616-I665 HydrophobicContact CZ-CG2 3.86Å; F616-L671 HydrophobicContact CB-CD2 3.61Å; F616-L671 HydrophobicContact CD1-CB 3.65Å; F616-L671 HydrophobicContact CD1-CD1 4.49Å; F616-L671 HydrophobicContact CD1-CD2 4.03Å; F616-L671 HydrophobicContact CD1-CG 4.25Å; F616-L671 HydrophobicContact CD2-CD1 4.31Å; F616-L671 HydrophobicContact CD2-CD2 4.41Å; F616-L671 HydrophobicContact CE1-CB 3.77Å; F616-L671 HydrophobicContact CE2-CD1 4.4Å; F616-L671 HydrophobicContact CG-CB 4.23Å; F616-L671 HydrophobicContact CG-CD1 4.35Å; F616-L671 HydrophobicContact CG-CD2 3.79Å; F616-L671 HydrophobicContact CG-CG 4.33Å; F616-L671 HydrophobicContact CZ-CB 4.42Å; F616-F673 WeakPolarHBondContact CD1-O 3.38Å; F616-F673 PolarHBondContact N-O 2.9Å; F616-L674 HydrophobicContact CD2-CD1 3.97Å; F616-L674 HydrophobicContact CE1-CB 4.23Å; F616-L674 HydrophobicContact CE2-CD1 3.57Å; F616-L674 HydrophobicContact CZ-CB 4.11Å; F616-L674 HydrophobicContact CZ-CD1 3.92Å; F616-Y675 PolarHBondContact O-N 2.84Å; F616-K680 HydrophobicContact CE1-CB 4.29Å; F616-F684 HydrophobicContact CE2-CE2 4.14Å; F616-F684 HydrophobicContact CE2-CZ 4.48Å; F616-F684 HydrophobicContact CZ-CD2 4.44Å; F616-F684 AromaticContact CZ-CE2 3.77Å; F616-F684 HydrophobicContact CZ-CE2 3.77Å
617	L	86.1	Confident	81.1	Confident	1 Å²	1	32 Å²	32	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	153.8	171.6	63.9	82.8	0	0	0	110.5	A604 L608 R619 A631	A604-L617 HydrophobicContact CB-CD1 4.04Å; A604-L617 HydrophobicContact CB-CD2 3.99Å; L608-L617 HydrophobicContact CD1-CD2 3.87Å; L608-L617 HydrophobicContact CD1-CG 3.97Å; L608-L617 HydrophobicContact CD2-CD2 3.9Å; L608-L617 HydrophobicContact CD2-CG 4.18Å; L608-L617 HydrophobicContact CG-CD2 3.62Å; L608-L617 HydrophobicContact CG-CG 4.16Å; L617-R619 HydrophobicContact CD1-CB 3.91Å; L617-R619 HydrophobicContact CD1-CG 4.13Å; L617-A631 HydrophobicContact CD1-CB 4.03Å; L617-A631 HydrophobicContact CG-CB 4.29Å; L617-A631 PolarHBondContact N-O 3.04Å; L617-A631 PolarHBondContact O-N 2.89Å
618	L	86.5	Confident	81.3	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	119.3	175.9	-60.2	177	0	0	0	108.4	I595 L596 G597 F616 I628 I630 L661 I665 F684	I595-L618 HydrophobicContact CG1-CB 4.37Å; I595-L618 HydrophobicContact CG1-CD1 3.82Å; I595-L618 HydrophobicContact CG2-CB 4.3Å; L596-L618 PolarHBondContact N-O 3.03Å; G597-L618 PolarHBondContact N-O 3.03Å; F616-L618 HydrophobicContact CD2-CD2 4.43Å; F616-L618 HydrophobicContact CE2-CD2 4.38Å; F616-L618 HydrophobicContact CE2-CG 4.46Å; L618-I628 HydrophobicContact CB-CD1 4.1Å; L618-I630 HydrophobicContact CD2-CB 4.28Å; L618-I630 HydrophobicContact CD2-CD1 4.1Å; L618-I630 HydrophobicContact CD2-CG1 3.63Å; L618-I630 HydrophobicContact CD2-CG2 4.19Å; L618-L661 HydrophobicContact CD1-CD2 4.12Å; L618-I665 HydrophobicContact CD1-CD1 4.15Å; L618-I665 HydrophobicContact CD2-CD1 4.14Å; L618-F684 HydrophobicContact CD1-CE1 4.33Å; L618-F684 HydrophobicContact CD1-CZ 3.91Å
619	R	87.8	Confident	81.5	Confident	21 Å²	21	30 Å²	30	8%	0.079	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	148.2	178	68.9	-179	-178	80.5	3.2	111.1	G597 L617 I628 T629 N647	G597-R619 CarbonylContact O-C 3.5Å; G597-R619 WeakPolarHBondContact O-CA 3.42Å; L617-R619 HydrophobicContact CD1-CB 3.91Å; L617-R619 HydrophobicContact CD1-CG 4.13Å; R619-I628 WeakPolarHBondContact O-CG1 3.48Å; R619-T629 HydrophobicContact CG-CG2 3.46Å; R619-T629 VanDerWaalsContact CG-CG2 3.46Å; R619-T629 PolarHBondContact N-O 2.99Å; R619-T629 WeakPolarHBondContact O-CG2 3.46Å; R619-T629 PolarHBondContact O-N 2.82Å; R619-N647 PolarHBondContact NE-OD1 2.94Å; R619-N647 PolarHBondContact NH2-OD1 2.97Å
620	F	87.6	Confident	81.8	Confident	1 Å²	1	26.3 Å²	26.3	0%	0.004	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	140.2	172.4	-65	-58.4	0	0	0	109.9	W574 V578 L581 L586 W590 I595 G597 F598 D622 I628	W574-F620 HydrophobicContact CZ2-CB 4.28Å; V578-F620 HydrophobicContact CG1-CD1 3.78Å; V578-F620 HydrophobicContact CG1-CD2 3.6Å; V578-F620 HydrophobicContact CG1-CE1 3.75Å; V578-F620 HydrophobicContact CG1-CE2 3.56Å; V578-F620 HydrophobicContact CG1-CG 3.72Å; V578-F620 HydrophobicContact CG1-CZ 3.64Å; V578-F620 HydrophobicContact CG2-CB 4.07Å; V578-F620 HydrophobicContact CG2-CD1 4.19Å; V578-F620 HydrophobicContact CG2-CG 4.02Å; L581-F620 HydrophobicContact CD2-CE1 4.47Å; L586-F620 HydrophobicContact CD1-CE1 4.23Å; W590-F620 HydrophobicContact CZ3-CE2 4.02Å; W590-F620 HydrophobicContact CZ3-CZ 4.27Å; I595-F620 HydrophobicContact CG2-CZ 4.28Å; G597-F620 VanDerWaalsContact C-CD2 3.48Å; G597-F620 VanDerWaalsContact CA-CD2 3.48Å; G597-F620 PolarHBondContact O-N 3.35Å; F598-F620 HydrophobicContact CD1-CD2 4.3Å; F598-F620 HydrophobicContact CD2-CD2 4.32Å; F598-F620 HydrophobicContact CD2-CE2 4.21Å; F598-F620 HydrophobicContact CE1-CD2 4.14Å; F598-F620 HydrophobicContact CE1-CE2 4.49Å; F598-F620 HydrophobicContact CE2-CD2 4.16Å; F598-F620 AromaticContact CE2-CE2 3.81Å; F598-F620 HydrophobicContact CE2-CE2 3.81Å; F598-F620 HydrophobicContact CG-CD2 4.38Å; F598-F620 HydrophobicContact CZ-CD2 4.08Å; F598-F620 AromaticContact CZ-CE2 3.97Å; F598-F620 HydrophobicContact CZ-CE2 3.97Å; F620-D622 PolarHBondContact O-N 3.03Å; F620-I628 HydrophobicContact CD1-CB 4.42Å; F620-I628 HydrophobicContact CD1-CG1 4.42Å; F620-I628 HydrophobicContact CE1-CD1 4.41Å
621	S	83.3	Confident	82.1	Confident	3 Å²	3	22.1 Å²	22.1	2%	0.021	13%	0.125	C	C	.	.			trans	-71.2	130	178.3	-178.3	0	0	0	0	109.4	W574 S623 E624 G627 P650	W574-S621 PolarHBondContact NE1-O 3.39Å; S621-S623 PolarHBondContact OG-N 2.83Å; S621-E624 PolarHBondContact OG-N 3.16Å; S621-G627 WeakPolarHBondContact CB-O 3.43Å; S621-G627 PolarHBondContact N-O 2.96Å; S621-P650 WeakPolarHBondContact OG-CG 3.48Å
622	D	75.6	Confident	82.4	Confident	16 Å²	16	20.8 Å²	20.8	9%	0.086	12%	0.119	C	C	.	.	S	Bend	trans	-80.6	-27.9	171.3	-66.3	-46.7	0	0	0	111.6	K537 R567 F569 F620	K537-D622 IonicContact NZ-OD1 3.83Å; K537-D622 PolarHBondContact NZ-OD1 3.48Å; R567-D622 PolarHBondContact NE-O 3.25Å; R567-D622 PolarHBondContact NH1-O 2.78Å; F569-D622 WeakPolarHBondContact CZ-O 3.3Å; F620-D622 PolarHBondContact O-N 3.03Å
623	S	74	Confident	82.7	Confident	97 Å²	97	17.8 Å²	17.8	68%	0.678	10%	0.1	S	C	*	.	S	Bend	trans	-87.5	-25.3	-172	-55.6	0	0	0	0	113.3	S621	S621-S623 PolarHBondContact OG-N 2.83Å
624	E	76.6	Confident	82.7	Confident	71 Å²	71	16.4 Å²	16.4	33%	0.332	10%	0.095	S	C	.	.	S	Bend	trans	-123.4	139.3	-176.5	-67.4	-175.4	-172.1	0	0	110.8	S621 G626 P650	S621-E624 PolarHBondContact OG-N 3.16Å; E624-G626 PolarHBondContact O-N 3.36Å; E624-P650 HydrophobicContact CB-CB 4.35Å; E624-P650 HydrophobicContact CB-CG 4.39Å; E624-P650 HydrophobicContact CG-CG 4.26Å; E624-P650 WeakPolarHBondContact OE2-CB 3.46Å
625	I	78.9	Confident	82.6	Confident	82 Å²	82	20.9 Å²	20.9	42%	0.421	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	129.4	178.9	-57.4	172.5	0	0	0	109	F569 G627	F569-I625 HydrophobicContact CB-CD1 3.73Å; F569-I625 HydrophobicContact CB-CG1 4.18Å; F569-I625 HydrophobicContact CD1-CD1 3.78Å; F569-I625 HydrophobicContact CD1-CG1 3.51Å; F569-I625 HydrophobicContact CD2-CG1 4.34Å; F569-I625 HydrophobicContact CE1-CG1 3.84Å; F569-I625 HydrophobicContact CG-CD1 3.89Å; F569-I625 HydrophobicContact CG-CG1 3.77Å; F569-I625 HydrophobicContact CZ-CG1 4.35Å; I625-G627 PolarHBondContact O-N 2.9Å
626	G	79.4	Confident	81.9	Confident	5 Å²	5	21.9 Å²	21.9	5%	0.052	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	34.6	176.6	0	0	0	0	0	113.3	G577 L581 E624	G577-G626 VanDerWaalsContact C-CA 3.5Å; G577-G626 VanDerWaalsContact O-CA 3.31Å; G577-G626 WeakPolarHBondContact O-CA 3.32Å; L581-G626 WeakPolarHBondContact CD1-O 3.29Å; L581-G626 WeakPolarHBondContact CD2-O 3.44Å; E624-G626 PolarHBondContact O-N 3.36Å
627	G	84.3	Confident	80.8	Confident	0 Å²	0	25 Å²	25	0%	0	14%	0.141	C	C	.	.			trans	-104.7	145.4	175.4	0	0	0	0	0	112.4	S621 I625 Y651	S621-G627 WeakPolarHBondContact CB-O 3.43Å; S621-G627 PolarHBondContact N-O 2.96Å; I625-G627 PolarHBondContact O-N 2.9Å; G627-Y651 CarbonylContact C-O 3.51Å; G627-Y651 VanDerWaalsContact CA-O 3.24Å; G627-Y651 WeakPolarHBondContact CA-O 3.41Å
628	I	86.1	Confident	79.5	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	135.5	166.9	-167.4	172.6	0	0	0	109.6	L581 L586 I595 L618 R619 F620 P650 Y651 F656 L661	L581-I628 HydrophobicContact CD2-CB 4.03Å; L581-I628 HydrophobicContact CD2-CG2 4.25Å; L586-I628 HydrophobicContact CD1-CD1 3.86Å; I595-I628 HydrophobicContact CD1-CD1 4.21Å; I595-I628 HydrophobicContact CG2-CD1 4.23Å; L618-I628 HydrophobicContact CB-CD1 4.1Å; R619-I628 WeakPolarHBondContact O-CG1 3.48Å; F620-I628 HydrophobicContact CD1-CB 4.42Å; F620-I628 HydrophobicContact CD1-CG1 4.42Å; F620-I628 HydrophobicContact CE1-CD1 4.41Å; I628-P650 CarbonylContact O-C 3.52Å; I628-P650 WeakPolarHBondContact O-CA 3.5Å; I628-Y651 PolarHBondContact N-O 3.13Å; I628-Y651 PolarHBondContact O-N 3.28Å; I628-F656 HydrophobicContact CG2-CE2 3.57Å; I628-F656 HydrophobicContact CG2-CZ 3.31Å; I628-L661 HydrophobicContact CD1-CD2 4.37Å
629	T	86.6	Confident	78.3	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.012	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	147.1	179.8	174.4	0	0	0	0	110.1	R619 L648	R619-T629 HydrophobicContact CG-CG2 3.46Å; R619-T629 VanDerWaalsContact CG-CG2 3.46Å; R619-T629 PolarHBondContact N-O 2.99Å; R619-T629 WeakPolarHBondContact O-CG2 3.46Å; R619-T629 PolarHBondContact O-N 2.82Å; T629-L648 PolarHBondContact OG1-O 2.9Å
630	I	86.2	Confident	76.6	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	120.7	177.7	-48.4	-174.2	0	0	0	107	F616 L618 L648 Y651 L661 I665 L668 L671	F616-I630 HydrophobicContact CB-CG2 4.29Å; F616-I630 HydrophobicContact CD2-CG2 3.92Å; F616-I630 HydrophobicContact CG-CG2 4.46Å; L618-I630 HydrophobicContact CD2-CB 4.28Å; L618-I630 HydrophobicContact CD2-CD1 4.1Å; L618-I630 HydrophobicContact CD2-CG1 3.63Å; L618-I630 HydrophobicContact CD2-CG2 4.19Å; I630-L648 HydrophobicContact CB-CD1 4.09Å; I630-L648 HydrophobicContact CB-CG 4.43Å; I630-L648 HydrophobicContact CD1-CD1 4.3Å; I630-L648 HydrophobicContact CG1-CD1 4.44Å; I630-L648 PolarHBondContact O-N 3.31Å; I630-Y651 HydrophobicContact CD1-CE2 3.98Å; I630-Y651 HydrophobicContact CG1-CE2 4.08Å; I630-L661 HydrophobicContact CD1-CD1 4.47Å; I630-I665 HydrophobicContact CD1-CG1 3.85Å; I630-L668 HydrophobicContact CD1-CD1 4.39Å; I630-L671 HydrophobicContact CD1-CD1 4.42Å; I630-L671 HydrophobicContact CG2-CD1 4.03Å; I630-L671 HydrophobicContact CG2-CD2 4.09Å
631	A	85.5	Confident	75.2	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	131.6	172.7	0	0	0	0	0	109.1	L608 F616 L617 V645 W646 N647	L608-A631 HydrophobicContact CD1-CB 3.76Å; F616-A631 CarbonylContact C-O 3.55Å; F616-A631 WeakPolarHBondContact CA-O 3.03Å; F616-A631 WeakPolarHBondContact CB-O 3.41Å; L617-A631 HydrophobicContact CD1-CB 4.03Å; L617-A631 HydrophobicContact CG-CB 4.29Å; L617-A631 PolarHBondContact N-O 3.04Å; L617-A631 PolarHBondContact O-N 2.89Å; A631-V645 HydrophobicContact CB-CG1 4.33Å; A631-W646 CarbonylContact C-O 3.14Å; A631-W646 VanDerWaalsContact CA-O 3.24Å; A631-W646 WeakPolarHBondContact CA-O 3.34Å; A631-N647 WeakPolarHBondContact CB-OD1 3.24Å
632	W	85.8	Confident	74.4	Confident	15 Å²	15	48.8 Å²	48.8	6%	0.057	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	151.3	177.9	79.9	101.9	0	0	0	111.7	T615 F616 V645 W646 L648 L671	T615-W632 VanDerWaalsContact O-CA 3.29Å; T615-W632 WeakPolarHBondContact O-CA 3.27Å; F616-W632 HydrophobicContact CB-CB 3.64Å; W632-V645 CarbonylContact O-C 3.55Å; W632-V645 WeakPolarHBondContact O-CA 3.37Å; W632-W646 HydrophobicContact CD2-CB 3.73Å; W632-W646 HydrophobicContact CE3-CB 3.67Å; W632-W646 HydrophobicContact CH2-CB 3.35Å; W632-W646 HydrophobicContact CH2-CG 4.17Å; W632-W646 HydrophobicContact CZ2-CB 3.41Å; W632-W646 VanDerWaalsContact CZ2-CB 3.41Å; W632-W646 AromaticContact CZ2-CG 3.84Å; W632-W646 HydrophobicContact CZ2-CG 3.84Å; W632-W646 HydrophobicContact CZ3-CB 3.44Å; W632-W646 VanDerWaalsContact CZ3-CB 3.44Å; W632-W646 PolarHBondContact N-O 3.02Å; W632-W646 PolarHBondContact O-N 3.45Å; W632-L648 HydrophobicContact CE3-CG 4.33Å; W632-L648 HydrophobicContact CH2-CD2 3.55Å; W632-L648 HydrophobicContact CH2-CG 4.16Å; W632-L648 HydrophobicContact CZ3-CD1 4.4Å; W632-L648 HydrophobicContact CZ3-CD2 3.45Å; W632-L648 VanDerWaalsContact CZ3-CD2 3.45Å; W632-L648 HydrophobicContact CZ3-CG 3.52Å; W632-L671 HydrophobicContact CB-CD2 3.7Å; W632-L671 HydrophobicContact CD2-CD2 4.28Å; W632-L671 HydrophobicContact CG-CD2 3.89Å
633	V	83.5	Confident	74.1	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	128.2	174.3	60.4	0	0	0	0	110	L608 P612 G614 T615 R643 V645	L608-V633 HydrophobicContact CB-CB 4.25Å; P612-V633 VanDerWaalsContact O-CG1 3.26Å; P612-V633 WeakPolarHBondContact O-CG1 3.33Å; G614-V633 PolarHBondContact N-O 3.22Å; T615-V633 PolarHBondContact O-N 3.5Å; V633-R643 HydrophobicContact CG2-CB 4.32Å; V633-V645 HydrophobicContact CB-CG2 4.48Å
634	A	78.2	Confident	74.3	Confident	23 Å²	23	52.5 Å²	52.5	19%	0.19	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	159.6	172	0	0	0	0	0	110	M644	A634-M644 PolarHBondContact N-O 3.34Å; A634-M644 VanDerWaalsContact N-O 3.12Å; A634-M644 PolarHBondContact O-N 3.47Å
635	E	74.1	Confident	74.3	Confident	100 Å²	100	49.9 Å²	49.9	47%	0.467	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	141.4	172.3	-80.3	172.2	-159.1	0	0	110.7	N613 P637	N613-E635 PolarHBondContact ND2-OE1 3.04Å; E635-P637 WeakPolarHBondContact O-CD 3.46Å
636	N	69.2	Low	74.4	Confident	21 Å²	21	48.5 Å²	48.5	11%	0.112	27%	0.27	C	S	.	.			trans	-66.1	120.3	177.1	-170.7	-5.1	0	0	0	109.2	N638 K639 E642	N636-N638 PolarHBondContact O-N 3.41Å; N636-N638 VanDerWaalsContact O-N 3.14Å; N636-N638 PolarHBondContact OD1-N 3Å; N636-K639 CarbonylContact O-C 3.54Å; N636-K639 PolarHBondContact O-N 3.46Å; N636-E642 HydrophobicContact CB-CB 4.18Å; N636-E642 VanDerWaalsContact CB-O 3.28Å; N636-E642 WeakPolarHBondContact CB-O 3.4Å; N636-E642 PolarHBondContact N-O 3.28Å; N636-E642 PolarHBondContact ND2-OE2 3.5Å; N636-E642 VanDerWaalsContact ND2-OE2 3.14Å
637	P	61.3	Low	74.5	Confident	67 Å²	67	51 Å²	51	44%	0.435	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-26.2	177.1	-18.3	27.5	0	0	0	112.8	E635 W646 F711	E635-P637 WeakPolarHBondContact O-CD 3.46Å; P637-W646 HydrophobicContact CG-CZ2 4.49Å; P637-F711 HydrophobicContact CB-CB 4.43Å; P637-F711 HydrophobicContact CB-CD2 4.13Å; P637-F711 HydrophobicContact CB-CG 4.09Å; P637-F711 HydrophobicContact CG-CB 4.48Å; P637-F711 HydrophobicContact CG-CD1 3.89Å; P637-F711 HydrophobicContact CG-CD2 3.4Å; P637-F711 HydrophobicContact CG-CE1 3.91Å; P637-F711 HydrophobicContact CG-CE2 3.41Å; P637-F711 VanDerWaalsContact CG-CE2 3.41Å; P637-F711 HydrophobicContact CG-CG 3.64Å; P637-F711 HydrophobicContact CG-CZ 3.67Å
638	N	59.4	Low	74.4	Confident	133 Å²	133	52 Å²	52	71%	0.711	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-14.1	-174.9	-63.6	-27.6	0	0	0	113.5	N636	N636-N638 PolarHBondContact O-N 3.41Å; N636-N638 VanDerWaalsContact O-N 3.14Å; N636-N638 PolarHBondContact OD1-N 3Å
639	K	60.8	Low	74.1	Confident	132 Å²	132	59 Å²	59	57%	0.574	32%	0.322	S	S	*	.	S	Bend	trans	-147.4	102.1	177.7	-75.3	-174.3	-175.3	171	0	110.3	N636 G641 E642	N636-K639 CarbonylContact O-C 3.54Å; N636-K639 PolarHBondContact O-N 3.46Å; K639-G641 PolarHBondContact O-N 2.83Å; K639-E642 HydrophobicContact CB-CB 4.19Å; K639-E642 WeakPolarHBondContact CD-OE2 3.37Å; K639-E642 PolarHBondContact O-N 2.82Å
640	A	51.6	Low	74	Confident	105 Å²	105	59.9 Å²	59.9	87%	0.868	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	122.5	175.1	0	0	0	0	0	110.6
641	G	58.4	Low	73.9	Confident	65 Å²	65	61 Å²	61	67%	0.67	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.2	-9	-179.4	0	0	0	0	0	116	K639	K639-G641 PolarHBondContact O-N 2.83Å
642	E	66.9	Low	73.9	Confident	91 Å²	91	62.6 Å²	62.6	43%	0.425	34%	0.342	S	S	.	.			trans	-92.6	114.6	173	-167.6	175	-144.7	0	0	109.9	N636 K639	N636-E642 HydrophobicContact CB-CB 4.18Å; N636-E642 VanDerWaalsContact CB-O 3.28Å; N636-E642 WeakPolarHBondContact CB-O 3.4Å; N636-E642 PolarHBondContact N-O 3.28Å; N636-E642 PolarHBondContact ND2-OE2 3.5Å; N636-E642 VanDerWaalsContact ND2-OE2 3.14Å; K639-E642 HydrophobicContact CB-CB 4.19Å; K639-E642 WeakPolarHBondContact CD-OE2 3.37Å; K639-E642 PolarHBondContact O-N 2.82Å
643	R	69.7	Low	73.7	Confident	115 Å²	115	63.8 Å²	63.8	43%	0.434	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	129.6	174.2	-65.5	-176.3	-177	-179.8	1.2	109.3	M609 V633	M609-R643 HydrophobicContact CE-CB 4.15Å; M609-R643 HydrophobicContact SD-CB 4.12Å; V633-R643 HydrophobicContact CG2-CB 4.32Å
644	M	77	Confident	73.6	Confident	75 Å²	75	71.7 Å²	71.7	37%	0.369	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	145.2	175.2	-164.7	170.1	68.6	0	0	110.9	A634 W646	A634-M644 PolarHBondContact N-O 3.34Å; A634-M644 VanDerWaalsContact N-O 3.12Å; A634-M644 PolarHBondContact O-N 3.47Å; M644-W646 HydrophobicContact CE-CD2 3.94Å; M644-W646 HydrophobicContact CE-CE3 3.94Å; M644-W646 HydrophobicContact CE-CH2 3.24Å; M644-W646 HydrophobicContact CE-CZ2 3.26Å; M644-W646 HydrophobicContact CE-CZ3 3.61Å
645	V	77.9	Confident	73.6	Confident	16 Å²	16	72.8 Å²	72.8	10%	0.097	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	114.8	174.3	177.8	0	0	0	0	109.1	Q605 L608 M609 A631 W632 V633	Q605-V645 HydrophobicContact CB-CG2 4.47Å; Q605-V645 HydrophobicContact CG-CB 4.31Å; Q605-V645 HydrophobicContact CG-CG2 4.04Å; L608-V645 HydrophobicContact CB-CG2 3.91Å; L608-V645 HydrophobicContact CD1-CG1 3.64Å; L608-V645 HydrophobicContact CD1-CG2 4.47Å; M609-V645 HydrophobicContact CG-CG2 4Å; M609-V645 HydrophobicContact SD-CG2 4.07Å; A631-V645 HydrophobicContact CB-CG1 4.33Å; W632-V645 CarbonylContact O-C 3.55Å; W632-V645 WeakPolarHBondContact O-CA 3.37Å; V633-V645 HydrophobicContact CB-CG2 4.48Å
646	W	79.9	Confident	73.8	Confident	54 Å²	54	68.4 Å²	68.4	21%	0.205	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	142.9	176.4	-60.5	90.5	0	0	0	109.7	A631 W632 P637 M644 F711	A631-W646 CarbonylContact C-O 3.14Å; A631-W646 VanDerWaalsContact CA-O 3.24Å; A631-W646 WeakPolarHBondContact CA-O 3.34Å; W632-W646 HydrophobicContact CD2-CB 3.73Å; W632-W646 HydrophobicContact CE3-CB 3.67Å; W632-W646 HydrophobicContact CH2-CB 3.35Å; W632-W646 HydrophobicContact CH2-CG 4.17Å; W632-W646 HydrophobicContact CZ2-CB 3.41Å; W632-W646 VanDerWaalsContact CZ2-CB 3.41Å; W632-W646 AromaticContact CZ2-CG 3.84Å; W632-W646 HydrophobicContact CZ2-CG 3.84Å; W632-W646 HydrophobicContact CZ3-CB 3.44Å; W632-W646 VanDerWaalsContact CZ3-CB 3.44Å; W632-W646 PolarHBondContact N-O 3.02Å; W632-W646 PolarHBondContact O-N 3.45Å; P637-W646 HydrophobicContact CG-CZ2 4.49Å; M644-W646 HydrophobicContact CE-CD2 3.94Å; M644-W646 HydrophobicContact CE-CE3 3.94Å; M644-W646 HydrophobicContact CE-CH2 3.24Å; M644-W646 HydrophobicContact CE-CZ2 3.26Å; M644-W646 HydrophobicContact CE-CZ3 3.61Å; W646-F711 HydrophobicContact CD2-CZ 4.47Å; W646-F711 HydrophobicContact CE3-CZ 4.25Å; W646-F711 HydrophobicContact CH2-CD1 4.46Å; W646-F711 AromaticContact CH2-CE1 3.25Å; W646-F711 HydrophobicContact CH2-CE1 3.25Å; W646-F711 AromaticContact CH2-CZ 3.41Å; W646-F711 HydrophobicContact CH2-CZ 3.41Å; W646-F711 VanDerWaalsContact CH2-CZ 3.41Å; W646-F711 AromaticContact CZ2-CE1 3.89Å; W646-F711 HydrophobicContact CZ2-CE1 3.89Å; W646-F711 AromaticContact CZ2-CZ 3.62Å; W646-F711 HydrophobicContact CZ2-CZ 3.62Å; W646-F711 AromaticContact CZ3-CE1 3.64Å; W646-F711 HydrophobicContact CZ3-CE1 3.64Å; W646-F711 AromaticContact CZ3-CZ 3.74Å; W646-F711 HydrophobicContact CZ3-CZ 3.74Å
647	N	82	Confident	74.2	Confident	56 Å²	56	71.5 Å²	71.5	30%	0.299	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	122.9	178.2	-70.2	-98.8	0	0	0	108.6	R619 A631	R619-N647 PolarHBondContact NE-OD1 2.94Å; R619-N647 PolarHBondContact NH2-OD1 2.97Å; A631-N647 WeakPolarHBondContact CB-OD1 3.24Å
648	L	82	Confident	75.1	Confident	23 Å²	23	73.7 Å²	73.7	12%	0.12	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-72.4	154.6	173.1	-63.5	-177.8	0	0	0	111	T629 I630 W632 Y651 L668 V708	T629-L648 PolarHBondContact OG1-O 2.9Å; I630-L648 HydrophobicContact CB-CD1 4.09Å; I630-L648 HydrophobicContact CB-CG 4.43Å; I630-L648 HydrophobicContact CD1-CD1 4.3Å; I630-L648 HydrophobicContact CG1-CD1 4.44Å; I630-L648 PolarHBondContact O-N 3.31Å; W632-L648 HydrophobicContact CE3-CG 4.33Å; W632-L648 HydrophobicContact CH2-CD2 3.55Å; W632-L648 HydrophobicContact CH2-CG 4.16Å; W632-L648 HydrophobicContact CZ3-CD1 4.4Å; W632-L648 HydrophobicContact CZ3-CD2 3.45Å; W632-L648 VanDerWaalsContact CZ3-CD2 3.45Å; W632-L648 HydrophobicContact CZ3-CG 3.52Å; L648-Y651 HydrophobicContact CD1-CE2 4.35Å; L648-Y651 VanDerWaalsContact CD1-OH 3.23Å; L648-Y651 WeakPolarHBondContact CD1-OH 3.09Å; L648-L668 HydrophobicContact CD1-CD1 3.68Å; L648-V708 HydrophobicContact CD2-CG2 3.93Å
649	M	80.4	Confident	75.9	Confident	147 Å²	147	69.9 Å²	69.9	72%	0.724	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-57.5	139.4	168.6	-168.1	172.8	70.6	0	0	109.4
650	P	84.9	Confident	76.8	Confident	19 Å²	19	65.5 Å²	65.5	12%	0.123	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-58.1	140.4	-178.3	-23.5	34	0	0	0	112.7	S621 E624 I628	S621-P650 WeakPolarHBondContact OG-CG 3.48Å; E624-P650 HydrophobicContact CB-CB 4.35Å; E624-P650 HydrophobicContact CB-CG 4.39Å; E624-P650 HydrophobicContact CG-CG 4.26Å; E624-P650 WeakPolarHBondContact OE2-CB 3.46Å; I628-P650 CarbonylContact O-C 3.52Å; I628-P650 WeakPolarHBondContact O-CA 3.5Å
651	Y	83.7	Confident	78.2	Confident	23 Å²	23	60.8 Å²	60.8	9%	0.09	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-93.2	129.5	170.8	-60.4	-60.2	0	0	0	110.1	G627 I628 I630 L648 D655 F656 Q706	G627-Y651 CarbonylContact C-O 3.51Å; G627-Y651 VanDerWaalsContact CA-O 3.24Å; G627-Y651 WeakPolarHBondContact CA-O 3.41Å; I628-Y651 PolarHBondContact N-O 3.13Å; I628-Y651 PolarHBondContact O-N 3.28Å; I630-Y651 HydrophobicContact CD1-CE2 3.98Å; I630-Y651 HydrophobicContact CG1-CE2 4.08Å; L648-Y651 HydrophobicContact CD1-CE2 4.35Å; L648-Y651 VanDerWaalsContact CD1-OH 3.23Å; L648-Y651 WeakPolarHBondContact CD1-OH 3.09Å; Y651-D655 HydrophobicContact CD1-CB 4.14Å; Y651-F656 HydrophobicContact CD2-CZ 4.42Å; Y651-F656 HydrophobicContact CG-CZ 4.2Å; Y651-Q706 PolarHBondContact OH-NE2 3.47Å; Y651-Q706 PolarHBondContact OH-OE1 3.42Å
652	T	85.7	Confident	79.1	Confident	34 Å²	34	57.7 Å²	57.7	21%	0.209	29%	0.288	C	S	.	.			trans	-101.5	174.1	178.3	68.7	0	0	0	0	111.1	K654 D655 F656	T652-K654 PolarHBondContact O-N 3.2Å; T652-K654 VanDerWaalsContact O-N 3.12Å; T652-K654 PolarHBondContact OG1-N 3.43Å; T652-D655 PolarHBondContact N-OD2 2.65Å; T652-D655 WeakPolarHBondContact O-CB 3.38Å; T652-D655 PolarHBondContact O-N 2.73Å; T652-D655 PolarHBondContact OG1-OD2 3.29Å; T652-F656 VanDerWaalsContact O-CD2 3.25Å; T652-F656 WeakPolarHBondContact O-CD2 3.14Å; T652-F656 PolarHBondContact O-N 3.49Å; T652-F656 VanDerWaalsContact O-N 3.13Å
653	T	80.9	Confident	79.5	Confident	40 Å²	40	54 Å²	54	25%	0.245	27%	0.271	C	S	.	.	H	α-helix	trans	-50.6	-34.2	171.1	-52.2	0	0	0	0	112.9	K584 H585 D655 F656 S657	K584-T653 HydrophobicContact CD-CG2 4.41Å; H585-T653 WeakPolarHBondContact NE2-CG2 3.42Å; T653-D655 VanDerWaalsContact C-N 3.34Å; T653-D655 PolarHBondContact O-N 3.14Å; T653-F656 PolarHBondContact O-N 3.1Å; T653-S657 PolarHBondContact O-N 3.39Å; T653-S657 PolarHBondContact O-OG 3.14Å
654	K	80.5	Confident	79.9	Confident	166 Å²	166	50 Å²	50	72%	0.722	26%	0.256	S	S	*	.	H	α-helix	trans	-65.6	-39.4	178.4	-64.4	179.1	-178.6	175.5	0	111.4	T652 S657 I658	T652-K654 PolarHBondContact O-N 3.2Å; T652-K654 VanDerWaalsContact O-N 3.12Å; T652-K654 PolarHBondContact OG1-N 3.43Å; K654-S657 PolarHBondContact O-N 3.25Å; K654-I658 WeakPolarHBondContact O-CG1 3.37Å; K654-I658 PolarHBondContact O-N 3.15Å
655	D	78.9	Confident	80	Confident	46 Å²	46	46.4 Å²	46.4	25%	0.246	24%	0.238	C	C	.	.	H	α-helix	trans	-70.3	-39.4	179.3	-56.8	-65.6	0	0	0	111.7	Y651 T652 T653 S657 I658 R659 R664	Y651-D655 HydrophobicContact CD1-CB 4.14Å; T652-D655 PolarHBondContact N-OD2 2.65Å; T652-D655 WeakPolarHBondContact O-CB 3.38Å; T652-D655 PolarHBondContact O-N 2.73Å; T652-D655 PolarHBondContact OG1-OD2 3.29Å; T653-D655 VanDerWaalsContact C-N 3.34Å; T653-D655 PolarHBondContact O-N 3.14Å; D655-S657 VanDerWaalsContact C-N 3.32Å; D655-I658 PolarHBondContact O-N 2.95Å; D655-R659 PolarHBondContact O-N 2.96Å; D655-R659 VanDerWaalsContact O-N 3.16Å; D655-R664 PolarHBondContact O-NH2 3.49Å
656	F	79.4	Confident	79.7	Confident	9 Å²	9	47.2 Å²	47.2	4%	0.039	24%	0.244	C	C	.	.	H	α-helix	trans	-71.7	-25.2	175.5	-65.5	-53.8	0	0	0	114	L581 H585 I628 Y651 T652 T653 I658 R659 L661	L581-F656 HydrophobicContact CD1-CD2 3.69Å; L581-F656 HydrophobicContact CD1-CE2 3.84Å; L581-F656 HydrophobicContact CD2-CE2 4.46Å; H585-F656 HydrophobicContact CB-CB 4.14Å; H585-F656 HydrophobicContact CB-CD2 4.44Å; H585-F656 HydrophobicContact CB-CG 4.3Å; I628-F656 HydrophobicContact CG2-CE2 3.57Å; I628-F656 HydrophobicContact CG2-CZ 3.31Å; Y651-F656 HydrophobicContact CD2-CZ 4.42Å; Y651-F656 HydrophobicContact CG-CZ 4.2Å; T652-F656 VanDerWaalsContact O-CD2 3.25Å; T652-F656 WeakPolarHBondContact O-CD2 3.14Å; T652-F656 PolarHBondContact O-N 3.49Å; T652-F656 VanDerWaalsContact O-N 3.13Å; T653-F656 PolarHBondContact O-N 3.1Å; F656-I658 PolarHBondContact O-N 3.15Å; F656-R659 WeakPolarHBondContact CA-O 3.45Å; F656-R659 CarbonylContact O-C 3.54Å; F656-L661 HydrophobicContact CD1-CB 4.04Å; F656-L661 HydrophobicContact CE1-CB 3.51Å; F656-L661 HydrophobicContact CE1-CD1 3.68Å; F656-L661 HydrophobicContact CE1-CG 4.12Å; F656-L661 HydrophobicContact CZ-CB 4.26Å; F656-L661 HydrophobicContact CZ-CD1 3.94Å
657	S	77.1	Confident	79.3	Confident	86 Å²	86	46.1 Å²	46.1	60%	0.601	24%	0.243	S	C	*	.	H	α-helix	trans	-66.9	-29.8	172.6	-57.1	0	0	0	0	112.1	T653 K654 D655	T653-S657 PolarHBondContact O-N 3.39Å; T653-S657 PolarHBondContact O-OG 3.14Å; K654-S657 PolarHBondContact O-N 3.25Å; D655-S657 VanDerWaalsContact C-N 3.32Å
658	I	79.9	Confident	79	Confident	113 Å²	113	43.9 Å²	43.9	58%	0.579	23%	0.23	S	C	*	.	H	α-helix	trans	-81.1	-42.5	178.1	-61.1	164.1	0	0	0	110.2	K654 D655 F656 I704	K654-I658 WeakPolarHBondContact O-CG1 3.37Å; K654-I658 PolarHBondContact O-N 3.15Å; D655-I658 PolarHBondContact O-N 2.95Å; F656-I658 PolarHBondContact O-N 3.15Å; I658-I704 HydrophobicContact CG2-CD1 4.19Å
659	R	75.8	Confident	78.3	Confident	52 Å²	52	49 Å²	49	20%	0.196	26%	0.258	C	S	.	.	S	Bend	trans	-156.8	140	-179.3	-167.9	164.9	-175.9	-149.8	-10.8	112.4	D655 F656 D663 R664 D667 I704	D655-R659 PolarHBondContact O-N 2.96Å; D655-R659 VanDerWaalsContact O-N 3.16Å; F656-R659 WeakPolarHBondContact CA-O 3.45Å; F656-R659 CarbonylContact O-C 3.54Å; R659-D663 HydrophobicContact CG-CB 3.88Å; R659-D663 VanDerWaalsContact NE-CB 3.33Å; R659-D663 PolarHBondContact NH2-O 2.94Å; R659-R664 HydrophobicContact CB-CG 4.45Å; R659-R664 HydrophobicContact CG-CG 4.37Å; R659-R664 PolarHBondContact O-NE 3.13Å; R659-D667 IonicContact CZ-OD1 3.57Å; R659-D667 IonicContact CZ-OD2 3.37Å; R659-D667 VanDerWaalsContact NH1-CG 3.29Å; R659-D667 IonicContact NH1-OD1 3.34Å; R659-D667 IonicContact NH1-OD2 3.53Å; R659-D667 PolarHBondContact NH1-OD2 3.45Å; R659-D667 VanDerWaalsContact NH2-CG 3.3Å; R659-D667 IonicContact NH2-OD1 2.75Å; R659-D667 PolarHBondContact NH2-OD1 3.44Å; R659-D667 IonicContact NH2-OD2 2.6Å; R659-D667 PolarHBondContact NH2-OD2 2.95Å; R659-I704 PolarHBondContact NH1-O 3.11Å
660	S	80.8	Confident	77.8	Confident	41 Å²	41	46.5 Å²	46.5	29%	0.287	24%	0.244	S	C	.	.			trans	-61.1	156.2	-177.3	82.9	0	0	0	0	113.2	D663 R664	S660-D663 PolarHBondContact O-N 2.99Å; S660-D663 WeakPolarHBondContact OG-CB 3.49Å; S660-D663 PolarHBondContact OG-N 2.83Å; S660-D663 VanDerWaalsContact OG-N 3.15Å; S660-D663 PolarHBondContact OG-OD2 3.32Å; S660-R664 WeakPolarHBondContact O-CG 3.23Å; S660-R664 PolarHBondContact O-N 3.18Å; S660-R664 VanDerWaalsContact O-N 3.15Å
661	L	79.5	Confident	77.4	Confident	5 Å²	5	45.6 Å²	45.6	3%	0.026	24%	0.239	C	C	.	.	H	α-helix	trans	-61.2	-43.8	175.8	179.5	62.9	0	0	0	111.8	L586 L618 I628 I630 F656 D663 R664 I665	L586-L661 HydrophobicContact CD2-CB 4.16Å; L586-L661 HydrophobicContact CD2-CD2 3.45Å; L586-L661 VanDerWaalsContact CD2-CD2 3.45Å; L586-L661 HydrophobicContact CD2-CG 4.41Å; L618-L661 HydrophobicContact CD1-CD2 4.12Å; I628-L661 HydrophobicContact CD1-CD2 4.37Å; I630-L661 HydrophobicContact CD1-CD1 4.47Å; F656-L661 HydrophobicContact CD1-CB 4.04Å; F656-L661 HydrophobicContact CE1-CB 3.51Å; F656-L661 HydrophobicContact CE1-CD1 3.68Å; F656-L661 HydrophobicContact CE1-CG 4.12Å; F656-L661 HydrophobicContact CZ-CB 4.26Å; F656-L661 HydrophobicContact CZ-CD1 3.94Å; L661-D663 VanDerWaalsContact C-N 3.33Å; L661-D663 PolarHBondContact O-N 2.95Å; L661-R664 PolarHBondContact O-N 2.87Å; L661-I665 HydrophobicContact CD1-CD1 3.9Å; L661-I665 HydrophobicContact CD1-CG1 4.16Å; L661-I665 HydrophobicContact CD2-CD1 4.3Å; L661-I665 HydrophobicContact CG-CD1 3.73Å; L661-I665 HydrophobicContact CG-CG1 4.37Å; L661-I665 WeakPolarHBondContact O-CG1 3.12Å; L661-I665 PolarHBondContact O-N 3.15Å
662	A	77.4	Confident	76.9	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61	-42.2	-179	0	0	0	0	0	111.8	R664 I665 S666 F684 Y688	A662-R664 VanDerWaalsContact C-N 3.32Å; A662-R664 PolarHBondContact O-N 2.91Å; A662-I665 PolarHBondContact O-N 2.8Å; A662-S666 PolarHBondContact O-N 3.27Å; A662-F684 HydrophobicContact CB-CD1 4.4Å; A662-Y688 HydrophobicContact CB-CD1 4.06Å; A662-Y688 HydrophobicContact CB-CE1 4.4Å; A662-Y688 WeakPolarHBondContact O-CE1 3.24Å
663	D	76.8	Confident	76.5	Confident	13 Å²	13	50.7 Å²	50.7	7%	0.07	26%	0.262	C	S	.	.	H	α-helix	trans	-71.8	-26.5	178.3	-61.2	-42.2	0	0	0	113	R659 S660 L661 S666 D667 T689	R659-D663 HydrophobicContact CG-CB 3.88Å; R659-D663 VanDerWaalsContact NE-CB 3.33Å; R659-D663 PolarHBondContact NH2-O 2.94Å; S660-D663 PolarHBondContact O-N 2.99Å; S660-D663 WeakPolarHBondContact OG-CB 3.49Å; S660-D663 PolarHBondContact OG-N 2.83Å; S660-D663 VanDerWaalsContact OG-N 3.15Å; S660-D663 PolarHBondContact OG-OD2 3.32Å; L661-D663 VanDerWaalsContact C-N 3.33Å; L661-D663 PolarHBondContact O-N 2.95Å; D663-S666 WeakPolarHBondContact CA-OG 3.28Å; D663-S666 PolarHBondContact O-OG 2.79Å; D663-D667 PolarHBondContact O-N 3.34Å; D663-T689 PolarHBondContact OD1-N 2.61Å; D663-T689 WeakPolarHBondContact OD2-CB 3.37Å; D663-T689 PolarHBondContact OD2-OG1 3.26Å
664	R	76.9	Confident	76.5	Confident	32 Å²	32	49 Å²	49	12%	0.121	25%	0.251	C	S	.	.	H	α-helix	trans	-75.2	-36	172.9	-74.2	174.4	177.7	-92.1	6.1	111.9	D655 R659 S660 L661 A662 L668	D655-R664 PolarHBondContact O-NH2 3.49Å; R659-R664 HydrophobicContact CB-CG 4.45Å; R659-R664 HydrophobicContact CG-CG 4.37Å; R659-R664 PolarHBondContact O-NE 3.13Å; S660-R664 WeakPolarHBondContact O-CG 3.23Å; S660-R664 PolarHBondContact O-N 3.18Å; S660-R664 VanDerWaalsContact O-N 3.15Å; L661-R664 PolarHBondContact O-N 2.87Å; A662-R664 VanDerWaalsContact C-N 3.32Å; A662-R664 PolarHBondContact O-N 2.91Å; R664-L668 WeakPolarHBondContact O-CG 3.46Å
665	I	78.6	Confident	76.3	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-69.1	-39.3	175.3	-69.1	169.9	0	0	0	110.4	F616 L618 I630 L661 A662 D667 L668 L671 F684	F616-I665 HydrophobicContact CE2-CD1 4.41Å; F616-I665 HydrophobicContact CE2-CG2 4.21Å; F616-I665 HydrophobicContact CZ-CG2 3.86Å; L618-I665 HydrophobicContact CD1-CD1 4.15Å; L618-I665 HydrophobicContact CD2-CD1 4.14Å; I630-I665 HydrophobicContact CD1-CG1 3.85Å; L661-I665 HydrophobicContact CD1-CD1 3.9Å; L661-I665 HydrophobicContact CD1-CG1 4.16Å; L661-I665 HydrophobicContact CD2-CD1 4.3Å; L661-I665 HydrophobicContact CG-CD1 3.73Å; L661-I665 HydrophobicContact CG-CG1 4.37Å; L661-I665 WeakPolarHBondContact O-CG1 3.12Å; L661-I665 PolarHBondContact O-N 3.15Å; A662-I665 PolarHBondContact O-N 2.8Å; I665-D667 VanDerWaalsContact C-N 3.33Å; I665-D667 PolarHBondContact O-N 3.23Å; I665-L668 PolarHBondContact O-N 2.94Å; I665-L671 HydrophobicContact CB-CD1 4.49Å; I665-L671 HydrophobicContact CG1-CD1 4.49Å; I665-L671 HydrophobicContact CG2-CD1 4.01Å; I665-F684 HydrophobicContact CD1-CD1 4.12Å; I665-F684 HydrophobicContact CD1-CE1 3.62Å; I665-F684 HydrophobicContact CD1-CE2 4.26Å; I665-F684 HydrophobicContact CD1-CZ 3.72Å; I665-F684 HydrophobicContact CG2-CD2 4.22Å; I665-F684 HydrophobicContact CG2-CE2 4.42Å
666	S	71.8	Confident	75.5	Confident	32 Å²	32	45.2 Å²	45.2	22%	0.224	24%	0.238	C	C	.	.	H	α-helix	trans	-64.7	-36.4	-179.7	66.5	0	0	0	0	113.2	A662 D663 L668	A662-S666 PolarHBondContact O-N 3.27Å; D663-S666 WeakPolarHBondContact CA-OG 3.28Å; D663-S666 PolarHBondContact O-OG 2.79Å; S666-L668 PolarHBondContact O-N 3.46Å
667	D	72.7	Confident	75.2	Confident	32 Å²	32	49.3 Å²	49.3	17%	0.171	26%	0.26	C	S	.	.	H	α-helix	trans	-65.7	-24.2	176.8	-87.2	23.7	0	0	0	114.2	R659 D663 I665 N669 R705 Q706	R659-D667 IonicContact CZ-OD1 3.57Å; R659-D667 IonicContact CZ-OD2 3.37Å; R659-D667 VanDerWaalsContact NH1-CG 3.29Å; R659-D667 IonicContact NH1-OD1 3.34Å; R659-D667 IonicContact NH1-OD2 3.53Å; R659-D667 PolarHBondContact NH1-OD2 3.45Å; R659-D667 VanDerWaalsContact NH2-CG 3.3Å; R659-D667 IonicContact NH2-OD1 2.75Å; R659-D667 PolarHBondContact NH2-OD1 3.44Å; R659-D667 IonicContact NH2-OD2 2.6Å; R659-D667 PolarHBondContact NH2-OD2 2.95Å; D663-D667 PolarHBondContact O-N 3.34Å; I665-D667 VanDerWaalsContact C-N 3.33Å; I665-D667 PolarHBondContact O-N 3.23Å; D667-N669 PolarHBondContact O-N 3.18Å; D667-R705 WeakPolarHBondContact OD2-CA 3.46Å; D667-R705 VanDerWaalsContact OD2-CB 3.23Å; D667-R705 WeakPolarHBondContact OD2-CB 3.39Å; D667-R705 WeakPolarHBondContact OD2-CG 3.25Å; D667-Q706 HydrophobicContact CB-CB 4.19Å; D667-Q706 PolarHBondContact OD2-N 3.32Å
668	L	75.3	Confident	75.1	Confident	8 Å²	8	51 Å²	51	4%	0.042	25%	0.254	C	S	.	.			trans	-86.8	98	-177.5	-66.1	174.5	0	0	0	110.5	I630 L648 R664 I665 S666 H670 L671 Q706 V708	I630-L668 HydrophobicContact CD1-CD1 4.39Å; L648-L668 HydrophobicContact CD1-CD1 3.68Å; R664-L668 WeakPolarHBondContact O-CG 3.46Å; I665-L668 PolarHBondContact O-N 2.94Å; S666-L668 PolarHBondContact O-N 3.46Å; L668-H670 PolarHBondContact O-N 3.15Å; L668-H670 VanDerWaalsContact O-N 3.15Å; L668-L671 HydrophobicContact CB-CD1 3.75Å; L668-L671 HydrophobicContact CB-CG 3.78Å; L668-L671 HydrophobicContact CD1-CD1 3.58Å; L668-L671 HydrophobicContact CD1-CG 4.22Å; L668-L671 HydrophobicContact CG-CD1 4.33Å; L668-L671 PolarHBondContact O-N 3.06Å; L668-L671 VanDerWaalsContact O-N 3.13Å; L668-Q706 HydrophobicContact CD2-CG 4.25Å; L668-V708 HydrophobicContact CD2-CG2 3.64Å
669	N	67.9	Low	74.9	Confident	130 Å²	130	48.1 Å²	48.1	70%	0.695	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.7	178.3	-65.7	-32.1	0	0	0	114	D667 L671	D667-N669 PolarHBondContact O-N 3.18Å; N669-L671 VanDerWaalsContact C-N 3.28Å; N669-L671 PolarHBondContact O-N 2.94Å
670	H	70.1	Confident	74.9	Confident	95 Å²	95	46.9 Å²	46.9	44%	0.44	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-15.2	177.2	-55.9	-66.8	0	0	0	113.7	G614 L668	G614-H670 WeakPolarHBondContact CA-O 3.27Å; L668-H670 PolarHBondContact O-N 3.15Å; L668-H670 VanDerWaalsContact O-N 3.15Å
671	L	75.4	Confident	74.4	Confident	1 Å²	1	49 Å²	49	1%	0.005	25%	0.246	C	C	.	.			trans	-92.8	119.2	177.9	-54.1	-176.9	0	0	0	108.2	F616 I630 W632 I665 L668 N669 K680	F616-L671 HydrophobicContact CB-CD2 3.61Å; F616-L671 HydrophobicContact CD1-CB 3.65Å; F616-L671 HydrophobicContact CD1-CD1 4.49Å; F616-L671 HydrophobicContact CD1-CD2 4.03Å; F616-L671 HydrophobicContact CD1-CG 4.25Å; F616-L671 HydrophobicContact CD2-CD1 4.31Å; F616-L671 HydrophobicContact CD2-CD2 4.41Å; F616-L671 HydrophobicContact CE1-CB 3.77Å; F616-L671 HydrophobicContact CE2-CD1 4.4Å; F616-L671 HydrophobicContact CG-CB 4.23Å; F616-L671 HydrophobicContact CG-CD1 4.35Å; F616-L671 HydrophobicContact CG-CD2 3.79Å; F616-L671 HydrophobicContact CG-CG 4.33Å; F616-L671 HydrophobicContact CZ-CB 4.42Å; I630-L671 HydrophobicContact CD1-CD1 4.42Å; I630-L671 HydrophobicContact CG2-CD1 4.03Å; I630-L671 HydrophobicContact CG2-CD2 4.09Å; W632-L671 HydrophobicContact CB-CD2 3.7Å; W632-L671 HydrophobicContact CD2-CD2 4.28Å; W632-L671 HydrophobicContact CG-CD2 3.89Å; I665-L671 HydrophobicContact CB-CD1 4.49Å; I665-L671 HydrophobicContact CG1-CD1 4.49Å; I665-L671 HydrophobicContact CG2-CD1 4.01Å; L668-L671 HydrophobicContact CB-CD1 3.75Å; L668-L671 HydrophobicContact CB-CG 3.78Å; L668-L671 HydrophobicContact CD1-CD1 3.58Å; L668-L671 HydrophobicContact CD1-CG 4.22Å; L668-L671 HydrophobicContact CG-CD1 4.33Å; L668-L671 PolarHBondContact O-N 3.06Å; L668-L671 VanDerWaalsContact O-N 3.13Å; N669-L671 VanDerWaalsContact C-N 3.28Å; N669-L671 PolarHBondContact O-N 2.94Å; L671-K680 WeakPolarHBondContact O-CD 3.44Å; L671-K680 PolarHBondContact O-NZ 3.42Å
672	L	72.6	Confident	74.2	Confident	83 Å²	83	54.9 Å²	54.9	44%	0.435	27%	0.274	S	S	.	.			trans	-119.7	-47.6	-176.7	-63.6	175.8	0	0	0	111.6	G614 K680	G614-L672 PolarHBondContact O-N 3.15Å; L672-K680 PolarHBondContact O-N 2.85Å
673	F	78.9	Confident	73.8	Confident	80 Å²	80	55.5 Å²	55.5	35%	0.351	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	130.4	-175.8	-56.4	-78.8	0	0	0	110.9	G614 T615 F616 R678	G614-F673 PolarHBondContact O-N 3.46Å; G614-F673 VanDerWaalsContact O-N 3.09Å; T615-F673 CarbonylContact C-O 3.51Å; T615-F673 WeakPolarHBondContact CA-O 3.41Å; F616-F673 WeakPolarHBondContact CD1-O 3.38Å; F616-F673 PolarHBondContact N-O 2.9Å; F673-R678 CarbonylContact C-O 3.56Å; F673-R678 WeakPolarHBondContact CA-O 3.41Å
674	L	80.7	Confident	73.7	Confident	5 Å²	5	54.9 Å²	54.9	3%	0.026	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	133.7	167.4	-177.1	71.8	0	0	0	109.4	A594 F616 D677 R678 V683 F684	A594-L674 HydrophobicContact CB-CD2 3.97Å; F616-L674 HydrophobicContact CD2-CD1 3.97Å; F616-L674 HydrophobicContact CE1-CB 4.23Å; F616-L674 HydrophobicContact CE2-CD1 3.57Å; F616-L674 HydrophobicContact CZ-CB 4.11Å; F616-L674 HydrophobicContact CZ-CD1 3.92Å; L674-D677 PolarHBondContact O-N 2.67Å; L674-R678 PolarHBondContact N-O 2.84Å; L674-R678 PolarHBondContact O-N 2.67Å; L674-V683 HydrophobicContact CD2-CB 4.33Å; L674-V683 HydrophobicContact CD2-CG1 3.86Å; L674-V683 HydrophobicContact CD2-CG2 4.22Å; L674-F684 HydrophobicContact CD1-CE2 4.32Å; L674-F684 HydrophobicContact CD1-CZ 4.44Å; L674-F684 HydrophobicContact CD2-CE2 4.01Å; L674-F684 HydrophobicContact CD2-CZ 4.25Å
675	Y	75.6	Confident	73.4	Confident	66 Å²	66	55.7 Å²	55.7	26%	0.259	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	135.7	174.3	-174.5	-91.8	0	0	0	111.6	L596 M607 K611 F616	L596-Y675 HydrophobicContact CD2-CD1 4.28Å; M607-Y675 HydrophobicContact CB-CE2 4.49Å; M607-Y675 HydrophobicContact CE-CD1 4.14Å; M607-Y675 HydrophobicContact CE-CE1 3.38Å; M607-Y675 HydrophobicContact CE-CE2 4.13Å; M607-Y675 WeakPolarHBondContact CE-OH 3.46Å; K611-Y675 HydrophobicContact CG-CD2 4.33Å; K611-Y675 HydrophobicContact CG-CE2 4.31Å; F616-Y675 PolarHBondContact O-N 2.84Å
676	P	63.2	Low	73.2	Confident	67 Å²	67	63.4 Å²	63.4	44%	0.435	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	cis	-76.4	-40	7.9	-20.7	34.8	0	0	0	116.8	K611	K611-P676 WeakPolarHBondContact CE-O 3.33Å; K611-P676 PolarHBondContact NZ-O 2.96Å
677	D	71.8	Confident	73.2	Confident	94 Å²	94	64.8 Å²	64.8	50%	0.503	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-165.5	41.4	178.5	-65.8	-59.6	0	0	0	111.8	K611 L674	K611-D677 VanDerWaalsContact NZ-CG 3.31Å; K611-D677 IonicContact NZ-OD1 3.31Å; K611-D677 PolarHBondContact NZ-OD1 3.39Å; K611-D677 IonicContact NZ-OD2 2.78Å; K611-D677 PolarHBondContact NZ-OD2 3.39Å; L674-D677 PolarHBondContact O-N 2.67Å
678	R	74.9	Confident	73.4	Confident	122 Å²	122	65.9 Å²	65.9	46%	0.46	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	132.6	-178.6	-64.7	-173.9	-176.6	178.5	1.2	111.4	F673 L674 V683	F673-R678 CarbonylContact C-O 3.56Å; F673-R678 WeakPolarHBondContact CA-O 3.41Å; L674-R678 PolarHBondContact N-O 2.84Å; L674-R678 PolarHBondContact O-N 2.67Å; R678-V683 HydrophobicContact CB-CG2 3.75Å; R678-V683 HydrophobicContact CG-CG2 4.47Å
679	P	77.1	Confident	73	Confident	53 Å²	53	69.2 Å²	69.2	34%	0.344	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	140.9	176.4	26.3	-31.6	0	0	0	110.9	D681 E682	P679-D681 PolarHBondContact O-N 3.24Å; P679-E682 VanDerWaalsContact CD-OE2 3.3Å; P679-E682 WeakPolarHBondContact CD-OE2 3.41Å; P679-E682 HydrophobicContact CG-CB 3.78Å; P679-E682 VanDerWaalsContact CG-OE2 3.31Å; P679-E682 WeakPolarHBondContact CG-OE2 3.45Å; P679-E682 PolarHBondContact O-N 3.17Å; P679-E682 VanDerWaalsContact O-N 3.16Å
680	K	74.6	Confident	72.6	Confident	25 Å²	25	67.7 Å²	67.7	11%	0.109	34%	0.342	C	S	.	.	H	α-helix	trans	-54.2	-39.4	-175.3	78.3	-167.5	-173.1	172.5	0	113.1	F616 L671 L672 V683 F684	F616-K680 HydrophobicContact CE1-CB 4.29Å; L671-K680 WeakPolarHBondContact O-CD 3.44Å; L671-K680 PolarHBondContact O-NZ 3.42Å; L672-K680 PolarHBondContact O-N 2.85Å; K680-V683 PolarHBondContact O-N 3.28Å; K680-F684 WeakPolarHBondContact O-CD2 3.4Å; K680-F684 PolarHBondContact O-N 3.22Å
681	D	70.1	Confident	71.9	Confident	86 Å²	86	68.9 Å²	68.9	46%	0.46	36%	0.358	S	S	.	.	H	α-helix	trans	-77.1	-23.8	-173.3	-61.6	-44.9	0	0	0	111.9	P679 A685 Y688	P679-D681 PolarHBondContact O-N 3.24Å; D681-A685 WeakPolarHBondContact O-CB 3.25Å; D681-A685 PolarHBondContact O-N 3.5Å; D681-Y688 PolarHBondContact OD1-OH 2.82Å
682	E	75.6	Confident	70.5	Confident	129 Å²	129	75.9 Å²	75.9	60%	0.603	40%	0.395	S	S	*	.	H	α-helix	trans	-70.1	-36.5	173.7	-175.2	-174.7	160.3	0	0	111.7	P679	P679-E682 VanDerWaalsContact CD-OE2 3.3Å; P679-E682 WeakPolarHBondContact CD-OE2 3.41Å; P679-E682 HydrophobicContact CG-CB 3.78Å; P679-E682 VanDerWaalsContact CG-OE2 3.31Å; P679-E682 WeakPolarHBondContact CG-OE2 3.45Å; P679-E682 PolarHBondContact O-N 3.17Å; P679-E682 VanDerWaalsContact O-N 3.16Å
683	V	69.6	Low	69	Low	12 Å²	12	75.5 Å²	75.5	7%	0.073	40%	0.399	C	S	.	.	H	α-helix	trans	-88.6	-41.5	-174.7	-175.7	0	0	0	0	112	A594 L674 R678 K680	A594-V683 HydrophobicContact CB-CG1 3.54Å; L674-V683 HydrophobicContact CD2-CB 4.33Å; L674-V683 HydrophobicContact CD2-CG1 3.86Å; L674-V683 HydrophobicContact CD2-CG2 4.22Å; R678-V683 HydrophobicContact CB-CG2 3.75Å; R678-V683 HydrophobicContact CG-CG2 4.47Å; K680-V683 PolarHBondContact O-N 3.28Å
684	F	74.5	Confident	67.5	Low	0 Å²	0	81.1 Å²	81.1	0%	0	42%	0.424	C	S	.	.	H	α-helix	trans	-103.2	-13.9	-172.1	-63.5	-81.1	0	0	0	114.6	H589 A594 F616 L618 A662 I665 L674 K680 K686 Y687 Y688	H589-F684 AromaticContact CD2-CD1 3.74Å; H589-F684 AromaticContact CD2-CE1 3.63Å; A594-F684 HydrophobicContact CB-CE1 4.33Å; A594-F684 HydrophobicContact CB-CZ 4.09Å; F616-F684 HydrophobicContact CE2-CE2 4.14Å; F616-F684 HydrophobicContact CE2-CZ 4.48Å; F616-F684 HydrophobicContact CZ-CD2 4.44Å; F616-F684 AromaticContact CZ-CE2 3.77Å; F616-F684 HydrophobicContact CZ-CE2 3.77Å; L618-F684 HydrophobicContact CD1-CE1 4.33Å; L618-F684 HydrophobicContact CD1-CZ 3.91Å; A662-F684 HydrophobicContact CB-CD1 4.4Å; I665-F684 HydrophobicContact CD1-CD1 4.12Å; I665-F684 HydrophobicContact CD1-CE1 3.62Å; I665-F684 HydrophobicContact CD1-CE2 4.26Å; I665-F684 HydrophobicContact CD1-CZ 3.72Å; I665-F684 HydrophobicContact CG2-CD2 4.22Å; I665-F684 HydrophobicContact CG2-CE2 4.42Å; L674-F684 HydrophobicContact CD1-CE2 4.32Å; L674-F684 HydrophobicContact CD1-CZ 4.44Å; L674-F684 HydrophobicContact CD2-CE2 4.01Å; L674-F684 HydrophobicContact CD2-CZ 4.25Å; K680-F684 WeakPolarHBondContact O-CD2 3.4Å; K680-F684 PolarHBondContact O-N 3.22Å; F684-K686 PolarHBondContact O-N 2.69Å; F684-K686 VanDerWaalsContact O-N 3.13Å; F684-Y687 PolarHBondContact O-N 2.82Å; F684-Y688 HydrophobicContact CB-CD1 4.41Å; F684-Y688 HydrophobicContact CB-CE1 3.53Å; F684-Y688 VanDerWaalsContact O-CD1 3.27Å; F684-Y688 WeakPolarHBondContact O-CD1 3.33Å; F684-Y688 WeakPolarHBondContact O-CE1 3.5Å; F684-Y688 PolarHBondContact O-N 3.11Å
685	A	71.1	Confident	65.7	Low	50 Å²	50	84.5 Å²	84.5	41%	0.413	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-62.6	-25.8	-176.8	0	0	0	0	0	114.2	D681 Y687 Y688	D681-A685 WeakPolarHBondContact O-CB 3.25Å; D681-A685 PolarHBondContact O-N 3.5Å; A685-Y687 PolarHBondContact O-N 2.79Å; A685-Y688 HydrophobicContact CB-CD2 4.05Å; A685-Y688 HydrophobicContact CB-CE2 3.97Å
686	K	73.8	Confident	64.4	Low	161 Å²	161	86.7 Å²	86.7	70%	0.7	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-65.6	-20.8	174.4	-60.9	179.6	-172.7	172.5	0	113	F684	F684-K686 PolarHBondContact O-N 2.69Å; F684-K686 VanDerWaalsContact O-N 3.13Å
687	Y	72.3	Confident	63.6	Low	62 Å²	62	90.3 Å²	90.3	24%	0.243	49%	0.488	C	S	.	.	G	3₁₀ helix	trans	-112.8	1	-174.3	-54.5	-62.2	0	0	0	113.2	P588 H589 D592 F684 A685 T689	P588-Y687 HydrophobicContact CB-CD1 4.32Å; P588-Y687 HydrophobicContact CB-CE1 3.48Å; P588-Y687 VanDerWaalsContact CB-CE1 3.48Å; P588-Y687 HydrophobicContact CG-CD1 4.4Å; P588-Y687 HydrophobicContact CG-CE1 4.03Å; H589-Y687 AromaticContact CD2-CD2 3.88Å; H589-Y687 AromaticContact NE2-CD2 3.69Å; H589-Y687 AromaticContact NE2-CG 3.78Å; D592-Y687 PolarHBondContact OD2-OH 2.68Å; F684-Y687 PolarHBondContact O-N 2.82Å; A685-Y687 PolarHBondContact O-N 2.79Å; Y687-T689 PolarHBondContact O-N 3.37Å
688	Y	75.3	Confident	62.6	Low	54 Å²	54	89.4 Å²	89.4	21%	0.212	50%	0.501	C	S	.	.	S	Bend	trans	-67.3	132.3	173.6	-64.8	-18.4	0	0	0	109.7	A662 D681 F684 A685 P690	A662-Y688 HydrophobicContact CB-CD1 4.06Å; A662-Y688 HydrophobicContact CB-CE1 4.4Å; A662-Y688 WeakPolarHBondContact O-CE1 3.24Å; D681-Y688 PolarHBondContact OD1-OH 2.82Å; F684-Y688 HydrophobicContact CB-CD1 4.41Å; F684-Y688 HydrophobicContact CB-CE1 3.53Å; F684-Y688 VanDerWaalsContact O-CD1 3.27Å; F684-Y688 WeakPolarHBondContact O-CD1 3.33Å; F684-Y688 WeakPolarHBondContact O-CE1 3.5Å; F684-Y688 PolarHBondContact O-N 3.11Å; A685-Y688 HydrophobicContact CB-CD2 4.05Å; A685-Y688 HydrophobicContact CB-CE2 3.97Å; Y688-P690 VanDerWaalsContact O-CD 3.25Å; Y688-P690 WeakPolarHBondContact O-CD 3.42Å
689	T	68.2	Low	60.9	Low	79 Å²	79	92.8 Å²	92.8	49%	0.485	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-66.1	116.6	171.4	-57.3	0	0	0	0	107.2	D663 Y687	D663-T689 PolarHBondContact OD1-N 2.61Å; D663-T689 WeakPolarHBondContact OD2-CB 3.37Å; D663-T689 PolarHBondContact OD2-OG1 3.26Å; Y687-T689 PolarHBondContact O-N 3.37Å
690	P	58.3	Low	59.4	Low	98 Å²	98	96.5 Å²	96.5	64%	0.636	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-59	138.8	176.7	22.7	-30.3	0	0	0	108.4	Y688 L692	Y688-P690 VanDerWaalsContact O-CD 3.25Å; Y688-P690 WeakPolarHBondContact O-CD 3.42Å; P690-L692 PolarHBondContact O-N 3.16Å
691	P	55.5	Low	58.2	Low	119 Å²	119	103 Å²	103	77%	0.773	57%	0.565	S	S	*	*			trans	-59.4	106.2	-179.3	21.6	-30.4	0	0	0	109.2	S693	P691-S693 PolarHBondContact O-N 3.29Å
692	L	47.3	Very low	57.3	Low	149 Å²	149	105.1 Å²	105.1	78%	0.78	58%	0.583	S	S	*	*			trans	-65	118.3	174.9	-92.2	146.9	0	0	0	109	P690	P690-L692 PolarHBondContact O-N 3.16Å
693	S	40.3	Very low	56.2	Low	74 Å²	74	105.3 Å²	105.3	52%	0.517	58%	0.584	S	S	.	*			trans	68.8	119.6	163.6	59.7	0	0	0	0	117.6	P691	P691-S693 PolarHBondContact O-N 3.29Å
694	K	47.6	Very low	55.8	Low	199 Å²	199	110.5 Å²	110.5	87%	0.865	61%	0.61	S	S	*	*	S	Bend	trans	-42.8	142.2	146	-70.4	178.7	175.7	178.6	0	108.6	V696	K694-V696 PolarHBondContact O-N 3.44Å
695	A	42.6	Very low	55	Low	75 Å²	75	118.6 Å²	118.6	62%	0.62	64%	0.64	S	S	*	*			trans	-45.6	114.8	172.7	0	0	0	0	0	109.5
696	V	48.3	Very low	54.6	Low	112 Å²	112	117.4 Å²	117.4	68%	0.679	63%	0.626	S	S	*	*	S	Bend	trans	-96	115	167.6	-175.3	0	0	0	0	105	K694	K694-V696 PolarHBondContact O-N 3.44Å
697	D	46.6	Very low	53.8	Low	143 Å²	143	115 Å²	115	77%	0.765	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.7	43.6	168.2	-140.7	24	0	0	0	116.1	Y699	D697-Y699 WeakPolarHBondContact O-CD2 3.23Å; D697-Y699 PolarHBondContact O-N 3.13Å
698	G	51.2	Low	53.2	Low	76 Å²	76	113.7 Å²	113.7	78%	0.784	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	71.5	-4.9	171	0	0	0	0	0	116
699	Y	39.5	Very low	52.2	Low	193 Å²	193	116.4 Å²	116.4	76%	0.757	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-90.2	116.8	173.7	-68.2	-83.5	0	0	0	111	D697	D697-Y699 WeakPolarHBondContact O-CD2 3.23Å; D697-Y699 PolarHBondContact O-N 3.13Å
700	V	44.8	Very low	50.9	Low	130 Å²	130	119.1 Å²	119.1	79%	0.788	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-88.7	120	172.4	-177.2	0	0	0	0	108.5
701	K	49.5	Very low	50.3	Low	163 Å²	163	118.9 Å²	118.9	71%	0.709	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-69.8	134.7	172.5	-76.7	-176.4	177.5	176.4	0	110	Q703	K701-Q703 PolarHBondContact O-N 3.49Å
702	P	50.9	Low	49	Very low	129 Å²	129	117.9 Å²	117.9	84%	0.838	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-63.5	129.8	178.2	24.6	-31.9	0	0	0	110.8
703	Q	53	Low	48.1	Very low	134 Å²	134	117.4 Å²	117.4	63%	0.626	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-101.5	120.3	173.4	-71.3	-175.7	-6.1	0	0	109.4	K701 R705	K701-Q703 PolarHBondContact O-N 3.49Å; Q703-R705 PolarHBondContact O-N 2.99Å
704	I	60.2	Low	47.7	Very low	121 Å²	121	118 Å²	118	62%	0.621	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-80.7	116	172.3	-61.9	173.1	0	0	0	107.1	I658 R659	I658-I704 HydrophobicContact CG2-CD1 4.19Å; R659-I704 PolarHBondContact NH1-O 3.11Å
705	R	59.3	Low	46.7	Very low	169 Å²	169	115.6 Å²	115.6	64%	0.638	66%	0.66	S	S	*	*			trans	-108.9	144	174.2	-69.2	-170.1	-173.8	-173.6	1.1	112.5	D667 Q703	D667-R705 WeakPolarHBondContact OD2-CA 3.46Å; D667-R705 VanDerWaalsContact OD2-CB 3.23Å; D667-R705 WeakPolarHBondContact OD2-CB 3.39Å; D667-R705 WeakPolarHBondContact OD2-CG 3.25Å; Q703-R705 PolarHBondContact O-N 2.99Å
706	Q	61.2	Low	46.2	Very low	26 Å²	26	118 Å²	118	12%	0.121	67%	0.668	C	S	.	*			trans	-86.8	120.5	171.6	-175.9	171	-47.3	0	0	109.3	Y651 D667 L668	Y651-Q706 PolarHBondContact OH-NE2 3.47Å; Y651-Q706 PolarHBondContact OH-OE1 3.42Å; D667-Q706 HydrophobicContact CB-CB 4.19Å; D667-Q706 PolarHBondContact OD2-N 3.32Å; L668-Q706 HydrophobicContact CD2-CG 4.25Å
707	V	57.2	Low	45.2	Very low	111 Å²	111	120 Å²	120	67%	0.673	68%	0.675	S	S	*	*			trans	-126.1	129.1	176.4	-175.1	0	0	0	0	107.3
708	V	61.3	Low	44.8	Very low	34 Å²	34	118.7 Å²	118.7	21%	0.206	68%	0.675	C	S	.	*	P	Polyproline II helix	trans	-77.1	128.5	166.8	179.9	0	0	0	0	106	L648 L668 D710	L648-V708 HydrophobicContact CD2-CG2 3.93Å; L668-V708 HydrophobicContact CD2-CG2 3.64Å; V708-D710 PolarHBondContact O-N 3.48Å; V708-D710 VanDerWaalsContact O-N 3.11Å
709	P	53	Low	43.6	Very low	111 Å²	111	119.5 Å²	119.5	72%	0.721	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-53.2	122.3	178.1	-24	32.5	0	0	0	110	F711	P709-F711 PolarHBondContact O-N 3.4Å
710	D	42	Very low	43.1	Very low	135 Å²	135	115.5 Å²	115.5	72%	0.722	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-55.9	133.3	172.7	-80.2	-38.9	0	0	0	108.6	V708 A712	V708-D710 PolarHBondContact O-N 3.48Å; V708-D710 VanDerWaalsContact O-N 3.11Å; D710-A712 PolarHBondContact O-N 2.74Å
711	F	45.3	Very low	42.4	Very low	94 Å²	94	116.2 Å²	116.2	41%	0.412	68%	0.679	S	S	.	*			trans	-49.1	110.9	173.5	-63.3	-85.1	0	0	0	108.3	P637 W646 P709 T713	P637-F711 HydrophobicContact CB-CB 4.43Å; P637-F711 HydrophobicContact CB-CD2 4.13Å; P637-F711 HydrophobicContact CB-CG 4.09Å; P637-F711 HydrophobicContact CG-CB 4.48Å; P637-F711 HydrophobicContact CG-CD1 3.89Å; P637-F711 HydrophobicContact CG-CD2 3.4Å; P637-F711 HydrophobicContact CG-CE1 3.91Å; P637-F711 HydrophobicContact CG-CE2 3.41Å; P637-F711 VanDerWaalsContact CG-CE2 3.41Å; P637-F711 HydrophobicContact CG-CG 3.64Å; P637-F711 HydrophobicContact CG-CZ 3.67Å; W646-F711 HydrophobicContact CD2-CZ 4.47Å; W646-F711 HydrophobicContact CE3-CZ 4.25Å; W646-F711 HydrophobicContact CH2-CD1 4.46Å; W646-F711 AromaticContact CH2-CE1 3.25Å; W646-F711 HydrophobicContact CH2-CE1 3.25Å; W646-F711 AromaticContact CH2-CZ 3.41Å; W646-F711 HydrophobicContact CH2-CZ 3.41Å; W646-F711 VanDerWaalsContact CH2-CZ 3.41Å; W646-F711 AromaticContact CZ2-CE1 3.89Å; W646-F711 HydrophobicContact CZ2-CE1 3.89Å; W646-F711 AromaticContact CZ2-CZ 3.62Å; W646-F711 HydrophobicContact CZ2-CZ 3.62Å; W646-F711 AromaticContact CZ3-CE1 3.64Å; W646-F711 HydrophobicContact CZ3-CE1 3.64Å; W646-F711 AromaticContact CZ3-CZ 3.74Å; W646-F711 HydrophobicContact CZ3-CZ 3.74Å; P709-F711 PolarHBondContact O-N 3.4Å; F711-T713 PolarHBondContact O-N 3.12Å
712	A	28.5	Very low	41.4	Very low	98 Å²	98	115.8 Å²	115.8	81%	0.81	68%	0.684	S	S	*	*			trans	-51.8	103	-173.3	0	0	0	0	0	110.4	D710 A714	D710-A712 PolarHBondContact O-N 2.74Å; A712-A714 VanDerWaalsContact C-N 3.27Å; A712-A714 PolarHBondContact O-N 2.97Å
713	T	28.6	Very low	40.4	Very low	138 Å²	138	115.4 Å²	115.4	85%	0.847	68%	0.682	S	S	*	*			trans	-66.4	98.2	156.1	45.2	0	0	0	0	105.9	F711 N715	F711-T713 PolarHBondContact O-N 3.12Å; T713-N715 PolarHBondContact O-N 2.76Å
714	A	31.9	Very low	39.3	Very low	87 Å²	87	115 Å²	115	72%	0.719	69%	0.694	S	S	*	*			trans	-59.7	103.1	163.6	0	0	0	0	0	108.2	A712	A712-A714 VanDerWaalsContact C-N 3.27Å; A712-A714 PolarHBondContact O-N 2.97Å
715	N	26.8	Very low	37.7	Very low	149 Å²	149	118.9 Å²	118.9	80%	0.797	70%	0.702	S	S	*	*			trans	-171.1	99.6	148.3	-101.6	2.3	0	0	0	109	T713	T713-N715 PolarHBondContact O-N 2.76Å
716	P	31.9	Very low	36.2	Very low	124 Å²	124	120.1 Å²	120.1	81%	0.805	72%	0.717	S	S	*	*			trans	-90.7	108.6	159.2	31.4	-19.9	0	0	0	107.8
717	D	26.6	Very low	34.6	Very low	155 Å²	155	124.5 Å²	124.5	83%	0.829	74%	0.741	S	S	*	*			trans	-88.4	144.2	159.7	-105.1	-24.2	0	0	0	109.9
718	P	37.7	Very low	33.2	Very low	115 Å²	115	127.8 Å²	127.8	75%	0.747	75%	0.749	S	S	*	*			trans	-96.6	135.3	-154	35.8	-31.2	0	0	0	112.5
719	A	27.5	Very low	31.5	Very low	93 Å²	93	129.5 Å²	129.5	77%	0.769	78%	0.775	S	S	*	*			trans	-150.8	89.9	156.2	0	0	0	0	0	111
720	S	27.2	Very low	30.3	Very low	109 Å²	109	129.4 Å²	129.4	76%	0.762	78%	0.783	S	S	*	*			trans	36.7	104.1	144.9	66.3	0	0	0	0	119.9
721	V	30.1	Very low	29.6	Very low	145 Å²	145	128.4 Å²	128.4	88%	0.879	79%	0.787	S	S	*	*				-147.1	124.1	121.7	-172.8	0	0	0	0	108.1
722	N	28.6	Very low	28.8	Very low	155 Å²	155	130.1 Å²	130.1	83%	0.829	81%	0.807	S	S	*	*			trans	-62.6	141.6	-178.3	-77.1	-22.2	0	0	0	113.4
723	P	31.4	Very low	28.7	Very low	121 Å²	121	129.8 Å²	129.8	79%	0.786	80%	0.804	S	S	*	*			trans	-95.9	128.2	161.2	34.2	-24.6	0	0	0	110.2
724	S	28.3	Very low	29.4	Very low	126 Å²	126	128.7 Å²	128.7	88%	0.881	80%	0.8	S	S	*	*			trans	-97.4	108.4	165.4	38.9	0	0	0	0	109.5
725	Y	28.3	Very low	29.3	Very low	202 Å²	202	130.6 Å²	130.6	79%	0.792	80%	0.804	S	S	*	*			trans	-81.2	133.9	170.8	-157.2	-91.9	0	0	0	109	D727	Y725-D727 HydrophobicContact CD1-CB 4.45Å; Y725-D727 HydrophobicContact CE1-CB 4.07Å
726	M	27.4	Very low	29.3	Very low	195 Å²	195	130.6 Å²	130.6	96%	0.961	81%	0.805	S	S	*	*			trans	-142.4	138.9	146.8	-105.1	-158.5	172	0	0	110.9
727	D	27.3	Very low	29.1	Very low	117 Å²	117	134.1 Å²	134.1	63%	0.626	81%	0.81	S	S	*	*			trans	-93.4	176.6	-165.4	178.1	37.2	0	0	0	112	Y725	Y725-D727 HydrophobicContact CD1-CB 4.45Å; Y725-D727 HydrophobicContact CE1-CB 4.07Å
728	Q	28.3	Very low	28.9	Very low	180 Å²	180	130.7 Å²	130.7	84%	0.841	80%	0.798	S	S	*	*			trans	88.6	132.6	168.5	-52.5	179.7	3.6	0	0	115.4
729	G	25.5	Very low	28.4	Very low	71 Å²	71	133.2 Å²	133.2	73%	0.732	80%	0.8	S	S	*	*			cis	145.3	128	9.5	0	0	0	0	0	109.1
730	A	27	Very low	28.2	Very low	108 Å²	108	133.9 Å²	133.9	89%	0.893	79%	0.794	S	S	*	*			trans	56.8	134.5	157.7	0	0	0	0	0	122.7
731	S	27.7	Very low	28	Very low	115 Å²	115	139.6 Å²	139.6	80%	0.804	80%	0.801	S	S	*	*			trans	-66.4	170.5	174.9	-49.9	0	0	0	0	115.1
732	P	28.4	Very low	27.7	Very low	129 Å²	129	136.7 Å²	136.7	84%	0.838	79%	0.792	S	S	*	*				-147.1	166	95.6	34.2	-15	0	0	0	115.7
733	A	26.6	Very low	27.4	Very low	91 Å²	91	137.3 Å²	137.3	75%	0.752	79%	0.792	S	S	*	*			trans	-102.4	-171.5	169.6	0	0	0	0	0	110.5
734	P	43.9	Very low	27	Very low	116 Å²	116	141.6 Å²	141.6	75%	0.753	79%	0.794	S	S	*	*			cis	-125	-160.4	-31	38.9	-18.7	0	0	0	110.5
735	P	29.5	Very low	27.5	Very low	126 Å²	126	140.8 Å²	140.8	82%	0.818	79%	0.786	S	S	*	*				-151.5	169.3	73.9	35.8	-12.3	0	0	0	117.7
736	N	25.3	Very low	28	Very low	150 Å²	150	136.2 Å²	136.2	80%	0.802	78%	0.78	S	S	*	*			trans	-61.8	150.9	174.1	-83.6	-26.6	0	0	0	115.3
737	H	27.5	Very low	27.7	Very low	197 Å²	197	135.5 Å²	135.5	91%	0.912	78%	0.777	S	S	*	*			trans	-157.5	150.9	134.3	-97.3	-61.2	0	0	0	112.6
738	S	24	Very low	27.6	Very low	83 Å²	83	134.2 Å²	134.2	58%	0.58	78%	0.782	S	S	*	*			trans	-103	165.9	-164.9	40.9	0	0	0	0	114.5
739	H	26.1	Very low	27.4	Very low	169 Å²	169	132.9 Å²	132.9	78%	0.782	78%	0.781	S	S	*	*			trans	131.2	108.1	150.5	-67.7	-51.9	0	0	0	113.9
740	T	23.1	Very low	28	Very low	107 Å²	107	134.9 Å²	134.9	66%	0.656	78%	0.781	S	S	*	*				75.3	117.2	76.7	38.8	0	0	0	0	118.8
741	Y	24.7	Very low	27.9	Very low	228 Å²	228	135.4 Å²	135.4	89%	0.894	77%	0.773	S	S	*	*			trans	61.7	144.9	148.5	-77.8	-85.7	0	0	0	119.3
742	A	23.1	Very low	28	Very low	84 Å²	84	137.8 Å²	137.8	69%	0.694	78%	0.776	S	S	*	*			cis	-168	158	24.6	0	0	0	0	0	113.8
743	M	22.7	Very low	27.9	Very low	168 Å²	168	139 Å²	139	83%	0.828	78%	0.776	S	S	*	*			trans	49	114.5	137.5	-66.9	-157.1	145.5	0	0	122.6
744	Y	23	Very low	27.8	Very low	212 Å²	212	138.5 Å²	138.5	83%	0.831	78%	0.778	S	S	*	*				86.2	160.8	77.1	-93.5	-60.3	0	0	0	115.4
745	P	37.9	Very low	27.1	Very low	109 Å²	109	140.9 Å²	140.9	71%	0.708	79%	0.785	S	S	*	*				-118.6	-132.8	-92.2	39.2	-15.1	0	0	0	110.6
746	P	38.8	Very low	27	Very low	105 Å²	105	138.4 Å²	138.4	68%	0.682	78%	0.782	S	S	*	*			cis	-130	-157.9	-35.2	36.9	-15.9	0	0	0	112.4
747	M	22.3	Very low	27.2	Very low	181 Å²	181	138.7 Å²	138.7	89%	0.892	78%	0.784	S	S	*	*			trans	107.8	138.5	163.6	-57.9	-70.7	-132.8	0	0	114.6
748	A	24.4	Very low	27.3	Very low	89 Å²	89	138.2 Å²	138.2	74%	0.736	78%	0.78	S	S	*	*			cis	-172.4	143.2	-15	0	0	0	0	0	106.2
749	D	24.4	Very low	27.8	Very low	153 Å²	153	140.2 Å²	140.2	82%	0.818	78%	0.784	S	S	*	*			trans	-54	173	170.2	-90.8	-34.7	0	0	0	114
750	P	37.8	Very low	28.3	Very low	112 Å²	112	138.8 Å²	138.8	73%	0.727	78%	0.781	S	S	*	*			cis	-162.5	-177.4	49.2	38	-10.4	0	0	0	122.3
751	V	24.9	Very low	28.9	Very low	119 Å²	119	139.8 Å²	139.8	72%	0.721	78%	0.782	S	S	*	*			trans	88.9	105.9	149	-142.4	0	0	0	0	120.9
752	L	29.1	Very low	29.5	Very low	166 Å²	166	135 Å²	135	87%	0.869	77%	0.773	S	S	*	*				-179.2	128.7	96.9	-93.9	171.9	0	0	0	112.8
753	D	26.1	Very low	30.2	Very low	155 Å²	155	135.5 Å²	135.5	83%	0.829	77%	0.767	S	S	*	*			trans	-75.2	162.3	-177.6	-74.4	-45.5	0	0	0	115.6
754	G	25.1	Very low	30.9	Very low	79 Å²	79	132.7 Å²	132.7	81%	0.814	75%	0.753	S	S	*	*			trans	-166.9	77.3	162.5	0	0	0	0	0	111.2
755	D	28.6	Very low	31.6	Very low	166 Å²	166	127.2 Å²	127.2	89%	0.888	74%	0.738	S	S	*	*			trans	-57.9	149.1	175.5	-90.8	-35.2	0	0	0	114.4
756	G	28	Very low	31.6	Very low	74 Å²	74	126.8 Å²	126.8	76%	0.763	73%	0.733	S	S	*	*			trans	163.5	64.4	165.9	0	0	0	0	0	113.3
757	D	29.6	Very low	31.5	Very low	157 Å²	157	124.6 Å²	124.6	84%	0.84	72%	0.724	S	S	*	*			trans	-72.7	137	171.1	-151	0.7	0	0	0	110.1
758	F	30.1	Very low	32.2	Very low	187 Å²	187	123 Å²	123	82%	0.82	71%	0.708	S	S	*	*			trans	-111.5	97.3	-172.5	-155.7	-89.9	0	0	0	108.1	L760	F758-L760 PolarHBondContact O-N 3.37Å
759	D	34.8	Very low	32.7	Very low	124 Å²	124	124.8 Å²	124.8	66%	0.663	70%	0.701	S	S	*	*			trans	-72.6	118.6	-176.4	-90.5	-39.2	0	0	0	112.3
760	L	35.6	Very low	33.4	Very low	140 Å²	140	120.5 Å²	120.5	73%	0.733	68%	0.681	S	S	*	*	S	Bend	trans	-80.7	-9.4	-179.3	-89.8	148	0	0	0	114.2	F758	F758-L760 PolarHBondContact O-N 3.37Å
761	D	37	Very low	33.3	Very low	127 Å²	127	122 Å²	122	68%	0.679	68%	0.678	S	S	*	*	S	Bend	trans	-79.2	-33.2	-174.5	-107.9	-13.7	0	0	0	113.1	T763 M764	D761-T763 VanDerWaalsContact C-N 3.25Å; D761-T763 PolarHBondContact O-N 2.6Å; D761-M764 PolarHBondContact O-N 2.65Å
762	D	35.5	Very low	33.8	Very low	129 Å²	129	122.1 Å²	122.1	69%	0.69	67%	0.67	S	S	*	*	H	α-helix	trans	-69.6	-21.7	179.6	-88.5	-11.9	0	0	0	113.3
763	T	37.8	Very low	34.1	Very low	94 Å²	94	119.9 Å²	119.9	58%	0.577	66%	0.659	S	S	*	*	H	α-helix	trans	-81.5	-21.4	-179.5	-38.8	0	0	0	0	111.9	D761	D761-T763 VanDerWaalsContact C-N 3.25Å; D761-T763 PolarHBondContact O-N 2.6Å
764	M	38.7	Very low	34.5	Very low	108 Å²	108	117.8 Å²	117.8	53%	0.532	65%	0.647	S	S	.	*	H	α-helix	trans	-81.5	-29.3	179.5	-79.4	-169.1	55.7	0	0	113.3	D761 R768	D761-M764 PolarHBondContact O-N 2.65Å; M764-R768 PolarHBondContact O-N 3.45Å
765	D	37.8	Very low	35	Very low	98 Å²	98	124.7 Å²	124.7	52%	0.524	65%	0.649	S	S	.	*	H	α-helix	trans	-75.7	-29.1	179.1	-92.9	-14	0	0	0	113	R768 H769	D765-R768 PolarHBondContact O-N 2.75Å; D765-R768 IonicContact OD1-NH1 2.92Å; D765-R768 PolarHBondContact OD1-NH1 2.83Å; D765-H769 PolarHBondContact O-N 3.19Å; D765-H769 VanDerWaalsContact O-N 3.11Å
766	V	37.8	Very low	35.3	Very low	99 Å²	99	126.8 Å²	126.8	60%	0.6	64%	0.644	S	S	*	*	H	α-helix	trans	-67.8	-38	173	-178	0	0	0	0	111.4	R768 V770	V766-R768 VanDerWaalsContact C-N 3.34Å; V766-V770 WeakPolarHBondContact O-CG2 3.05Å; V766-V770 PolarHBondContact O-N 2.93Å
767	A	35.7	Very low	35.5	Very low	60 Å²	60	129 Å²	129	50%	0.496	65%	0.645	S	S	.	*	H	α-helix	trans	-67.9	-35.2	177.8	0	0	0	0	0	112.3	E771	A767-E771 PolarHBondContact O-N 3.11Å
768	R	37.6	Very low	35.7	Very low	146 Å²	146	128.4 Å²	128.4	55%	0.551	65%	0.646	S	S	*	*	H	α-helix	trans	-74.5	-34	179.7	-148.6	-177.7	-83.8	146.7	-9.3	112.1	M764 D765 V766 V770 E771 E772	M764-R768 PolarHBondContact O-N 3.45Å; D765-R768 PolarHBondContact O-N 2.75Å; D765-R768 IonicContact OD1-NH1 2.92Å; D765-R768 PolarHBondContact OD1-NH1 2.83Å; V766-R768 VanDerWaalsContact C-N 3.34Å; R768-V770 VanDerWaalsContact C-N 3.33Å; R768-V770 PolarHBondContact O-N 2.81Å; R768-E771 PolarHBondContact O-N 3.46Å; R768-E772 PolarHBondContact O-N 2.99Å
769	H	34.8	Very low	35.7	Very low	127 Å²	127	128.2 Å²	128.2	59%	0.588	65%	0.648	S	S	*	*	H	α-helix	trans	-68	-31.5	175.7	-157.3	64.2	0	0	0	113	D765 L773	D765-H769 PolarHBondContact O-N 3.19Å; D765-H769 VanDerWaalsContact O-N 3.11Å; H769-L773 PolarHBondContact O-N 2.99Å
770	V	38.2	Very low	36	Very low	64 Å²	64	127.3 Å²	127.3	39%	0.388	65%	0.652	S	S	.	*	H	α-helix	trans	-75.4	-34.3	177.5	173.5	0	0	0	0	112.2	V766 R768 E772 L774	V766-V770 WeakPolarHBondContact O-CG2 3.05Å; V766-V770 PolarHBondContact O-N 2.93Å; R768-V770 VanDerWaalsContact C-N 3.33Å; R768-V770 PolarHBondContact O-N 2.81Å; V770-E772 VanDerWaalsContact C-N 3.28Å; V770-E772 PolarHBondContact O-N 3.35Å; V770-L774 HydrophobicContact CG1-CD1 4.33Å; V770-L774 WeakPolarHBondContact O-CD1 3.1Å; V770-L774 WeakPolarHBondContact O-CG 3.49Å
771	E	36.5	Very low	35.7	Very low	144 Å²	144	129.8 Å²	129.8	67%	0.673	66%	0.659	S	S	*	*	H	α-helix	trans	-67.1	-28.9	173.1	-79.8	-169.6	148.9	0	0	112.9	A767 R768	A767-E771 PolarHBondContact O-N 3.11Å; R768-E771 PolarHBondContact O-N 3.46Å
772	E	36.3	Very low	35.3	Very low	120 Å²	120	135.2 Å²	135.2	56%	0.561	67%	0.671	S	S	*	*	H	α-helix	trans	-78.2	-29.7	-178.6	-156.1	163.4	-163.9	0	0	112.7	R768 V770	R768-E772 PolarHBondContact O-N 2.99Å; V770-E772 VanDerWaalsContact C-N 3.28Å; V770-E772 PolarHBondContact O-N 3.35Å
773	L	34	Very low	35.2	Very low	119 Å²	119	132.9 Å²	132.9	62%	0.623	68%	0.677	S	S	*	*	H	α-helix	trans	-69.1	-32.2	172.3	-86.8	157.3	0	0	0	112.9	H769 R775	H769-L773 PolarHBondContact O-N 2.99Å; L773-R775 VanDerWaalsContact C-N 3.29Å; L773-R775 PolarHBondContact O-N 3.38Å
774	L	34.9	Very low	34.7	Very low	112 Å²	112	132.3 Å²	132.3	59%	0.586	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-2.2	-176.2	-68.4	165.1	0	0	0	114.3	V770	V770-L774 HydrophobicContact CG1-CD1 4.33Å; V770-L774 WeakPolarHBondContact O-CD1 3.1Å; V770-L774 WeakPolarHBondContact O-CG 3.49Å
775	R	35.2	Very low	34.2	Very low	224 Å²	224	135.5 Å²	135.5	85%	0.845	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.9	0.9	-173.1	-113.7	-178.1	175.7	-173.7	-0	115.7	L773	L773-R775 VanDerWaalsContact C-N 3.29Å; L773-R775 PolarHBondContact O-N 3.38Å
776	R	35.7	Very low	34	Very low	209 Å²	209	138 Å²	138	79%	0.789	71%	0.712	S	S	*	*			trans	-82.5	131.9	-179.1	-69.7	-172.2	177	-172.1	0.5	112
777	P	31.6	Very low	33.6	Very low	121 Å²	121	142.6 Å²	142.6	79%	0.786	75%	0.748	S	S	*	*			trans	-78.4	139.1	174.2	30.1	-28.3	0	0	0	110.8	E779	P777-E779 PolarHBondContact O-N 3.01Å
778	V	34.4	Very low	33.5	Very low	144 Å²	144	146.8 Å²	146.8	87%	0.873	76%	0.761	S	S	*	*			trans	-76.2	103.8	-179.8	179.1	0	0	0	0	109.6
779	E	29	Very low	33.3	Very low	183 Å²	183	146.8 Å²	146.8	86%	0.855	77%	0.772	S	S	*	*			trans	-86.9	126.4	158.8	-89.2	-170.2	163	0	0	110	P777 Q781	P777-E779 PolarHBondContact O-N 3.01Å; E779-Q781 PolarHBondContact O-N 2.95Å
780	S	42.5	Very low	33.2	Very low	106 Å²	106	147.9 Å²	147.9	74%	0.741	78%	0.782	S	S	*	*			trans	-68.6	109.8	170.8	46.6	0	0	0	0	110.9
781	Q	28.6	Very low	32.9	Very low	191 Å²	191	152.8 Å²	152.8	89%	0.893	81%	0.806	S	S	*	*			trans	-126.5	122.8	162.6	-116.2	178.6	26.6	0	0	112.1	E779	E779-Q781 PolarHBondContact O-N 2.95Å
782	W	29.8	Very low	32.7	Very low	242 Å²	242	153.4 Å²	153.4	92%	0.917	81%	0.814	S	S	*	*			trans	-61.9	151.6	-173.2	-73.7	68.3	0	0	0	116
783	G	31.9	Very low	32.4	Very low	80 Å²	80	155.6 Å²	155.6	83%	0.825	83%	0.831	S	S	*	*				84	118.3	118.1	0	0	0	0	0	118.3
784	G	27.3	Very low	32.3	Very low	81 Å²	81	158.2 Å²	158.2	84%	0.835	85%	0.846	S	S	*	*			trans	140.4	70.7	153.7	0	0	0	0	0	117.1
785	Q	28.4	Very low	32.1	Very low	175 Å²	175	161.8 Å²	161.8	82%	0.818	87%	0.866	S	S	*	*			trans	-134.9	137.7	149.7	-88.8	-170	-9.8	0	0	104.9
786	Q	33.3	Very low	31.9	Very low	151 Å²	151	156.6 Å²	156.6	71%	0.706	87%	0.867	S	S	*	*			cis	-163.9	156.9	8.2	-99.2	165.9	5.6	0	0	103.9
787	S	30.1	Very low	31.5	Very low	196 Å²	196	151.8 Å²	151.8	100%	1.371	87%	0.874	S	S	*	*			trans	63.4	0	156.1	-60.2	0	0	0	0	119.8

Retrieved 787 of 787 residues in 1172.8 ms (Link to these results)

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