A0A5K4FB08_SCHMA Loading...

Aromatic-L-amino-acid decarboxylase

AlphaFold DB , UniProt , Accession A0A5K4FB08, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 523 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	92.7	Very high	96	Very high	142 Å²	142	87.5 Å²	87.5	70%	0.7	46%	0.464	S	S	*	.				0	125	0	-172.2	174.1	-83.1	0	0	108.1	E5 F6 A9 F58	M1-E5 VanDerWaalsContact C-OE2 3.3Å; M1-E5 WeakPolarHBondContact CA-OE2 3.43Å; M1-E5 HydrophobicContact CG-CB 3.66Å; M1-F6 HydrophobicContact CG-CB 4.18Å; M1-F6 HydrophobicContact SD-CB 3.98Å; M1-F6 HydrophobicContact SD-CD2 4.34Å; M1-A9 HydrophobicContact CE-CB 3.87Å; M1-A9 HydrophobicContact SD-CB 4.4Å; M1-F58 HydrophobicContact CE-CB 4.27Å; M1-F58 HydrophobicContact CE-CD2 4.34Å
2	N	94.6	Very high	96.1	Very high	86 Å²	86	86 Å²	86	46%	0.46	46%	0.456	S	S	.	.			trans	-94.2	-177.1	171.4	69.3	33.9	0	0	0	111	E4 E5 F6	N2-E4 PolarHBondContact O-N 2.72Å; N2-E4 PolarHBondContact OD1-N 3.05Å; N2-E4 VanDerWaalsContact OD1-N 3.07Å; N2-E5 PolarHBondContact N-OE2 3.15Å; N2-E5 WeakPolarHBondContact OD1-CG 3.34Å; N2-E5 PolarHBondContact OD1-N 2.94Å; N2-F6 VanDerWaalsContact O-CB 3.31Å; N2-F6 WeakPolarHBondContact O-CB 3.35Å; N2-F6 PolarHBondContact O-N 2.77Å
3	S	96.2	Very high	96.2	Very high	95 Å²	95	84.4 Å²	84.4	66%	0.664	45%	0.447	S	S	*	.	H	α-helix	trans	-66	-34.6	-176	51.3	0	0	0	0	114.5	L7	S3-L7 PolarHBondContact O-N 3.18Å
4	E	96.9	Very high	96.2	Very high	148 Å²	148	83.7 Å²	83.7	69%	0.692	44%	0.443	S	S	*	.	H	α-helix	trans	-73.7	-45.3	178.4	-67.1	177.5	179.6	0	0	110.9	N2 F6 L7 S8	N2-E4 PolarHBondContact O-N 2.72Å; N2-E4 PolarHBondContact OD1-N 3.05Å; N2-E4 VanDerWaalsContact OD1-N 3.07Å; E4-F6 VanDerWaalsContact C-N 3.25Å; E4-F6 PolarHBondContact O-N 2.95Å; E4-L7 PolarHBondContact O-N 2.8Å; E4-S8 PolarHBondContact O-N 2.82Å; E4-S8 VanDerWaalsContact O-N 3.09Å; E4-S8 PolarHBondContact O-OG 2.87Å
5	E	96.2	Very high	96.3	Very high	78 Å²	78	87.1 Å²	87.1	36%	0.364	46%	0.455	S	S	.	.	H	α-helix	trans	-58.1	-41.1	172.4	-67.8	173.4	148.8	0	0	110.5	M1 N2 A9 K55	M1-E5 VanDerWaalsContact C-OE2 3.3Å; M1-E5 WeakPolarHBondContact CA-OE2 3.43Å; M1-E5 HydrophobicContact CG-CB 3.66Å; N2-E5 PolarHBondContact N-OE2 3.15Å; N2-E5 WeakPolarHBondContact OD1-CG 3.34Å; N2-E5 PolarHBondContact OD1-N 2.94Å; E5-A9 VanDerWaalsContact O-CB 3.26Å; E5-A9 WeakPolarHBondContact O-CB 3.34Å; E5-A9 PolarHBondContact O-N 2.88Å; E5-K55 IonicContact OE1-NZ 3.8Å
6	F	96.1	Very high	96.3	Very high	107 Å²	107	84.1 Å²	84.1	47%	0.469	44%	0.437	S	S	.	.	H	α-helix	trans	-62.9	-46.2	175.5	171.5	-98.9	0	0	0	112.3	M1 N2 E4 S8 A9 A10	M1-F6 HydrophobicContact CG-CB 4.18Å; M1-F6 HydrophobicContact SD-CB 3.98Å; M1-F6 HydrophobicContact SD-CD2 4.34Å; N2-F6 VanDerWaalsContact O-CB 3.31Å; N2-F6 WeakPolarHBondContact O-CB 3.35Å; N2-F6 PolarHBondContact O-N 2.77Å; E4-F6 VanDerWaalsContact C-N 3.25Å; E4-F6 PolarHBondContact O-N 2.95Å; F6-S8 PolarHBondContact O-N 3.45Å; F6-A9 PolarHBondContact O-N 3.44Å; F6-A10 HydrophobicContact CE1-CB 4.37Å; F6-A10 HydrophobicContact CE2-CB 4.49Å; F6-A10 HydrophobicContact CZ-CB 4.26Å; F6-A10 WeakPolarHBondContact O-CB 3.4Å; F6-A10 PolarHBondContact O-N 3.1Å
7	L	97.1	Very high	96.4	Very high	102 Å²	102	81.5 Å²	81.5	53%	0.534	42%	0.424	S	S	.	.	H	α-helix	trans	-61.6	-45.6	-178.5	-177	61.9	0	0	0	111.2	S3 E4 A10 Q11	S3-L7 PolarHBondContact O-N 3.18Å; E4-L7 PolarHBondContact O-N 2.8Å; L7-A10 PolarHBondContact O-N 2.86Å; L7-Q11 WeakPolarHBondContact O-CG 3.4Å; L7-Q11 PolarHBondContact O-N 2.66Å
8	S	96.7	Very high	96.4	Very high	68 Å²	68	80.6 Å²	80.6	48%	0.476	42%	0.422	S	S	.	.	H	α-helix	trans	-62	-47.4	176.5	-60.5	0	0	0	0	111.7	E4 F6 A10 Q11 L12	E4-S8 PolarHBondContact O-N 2.82Å; E4-S8 VanDerWaalsContact O-N 3.09Å; E4-S8 PolarHBondContact O-OG 2.87Å; F6-S8 PolarHBondContact O-N 3.45Å; S8-A10 VanDerWaalsContact C-N 3.35Å; S8-A10 PolarHBondContact O-N 3.1Å; S8-Q11 PolarHBondContact O-N 2.98Å; S8-L12 PolarHBondContact O-N 3.18Å
9	A	97.1	Very high	96.4	Very high	8 Å²	8	83.5 Å²	83.5	7%	0.066	43%	0.431	C	S	.	.	H	α-helix	trans	-62.8	-40.2	177.1	0	0	0	0	0	112.4	M1 E5 F6 L12 L13 F58	M1-A9 HydrophobicContact CE-CB 3.87Å; M1-A9 HydrophobicContact SD-CB 4.4Å; E5-A9 VanDerWaalsContact O-CB 3.26Å; E5-A9 WeakPolarHBondContact O-CB 3.34Å; E5-A9 PolarHBondContact O-N 2.88Å; F6-A9 PolarHBondContact O-N 3.44Å; A9-L12 PolarHBondContact O-N 2.93Å; A9-L13 WeakPolarHBondContact O-CB 3.44Å; A9-L13 PolarHBondContact O-N 3.26Å; A9-F58 HydrophobicContact CB-CB 4.28Å; A9-F58 HydrophobicContact CB-CD1 3.52Å; A9-F58 HydrophobicContact CB-CD2 3.99Å; A9-F58 HydrophobicContact CB-CE1 3.76Å; A9-F58 HydrophobicContact CB-CE2 4.21Å; A9-F58 HydrophobicContact CB-CG 3.64Å; A9-F58 HydrophobicContact CB-CZ 4.11Å; A9-F58 WeakPolarHBondContact O-CE1 3.37Å
10	A	96.4	Very high	96.4	Very high	22 Å²	22	81.6 Å²	81.6	18%	0.182	42%	0.418	C	S	.	.	H	α-helix	trans	-65.5	-40.9	178.7	0	0	0	0	0	111.6	F6 L7 S8 L13 L14	F6-A10 HydrophobicContact CE1-CB 4.37Å; F6-A10 HydrophobicContact CE2-CB 4.49Å; F6-A10 HydrophobicContact CZ-CB 4.26Å; F6-A10 WeakPolarHBondContact O-CB 3.4Å; F6-A10 PolarHBondContact O-N 3.1Å; L7-A10 PolarHBondContact O-N 2.86Å; S8-A10 VanDerWaalsContact C-N 3.35Å; S8-A10 PolarHBondContact O-N 3.1Å; A10-L13 PolarHBondContact O-N 3.3Å; A10-L14 WeakPolarHBondContact O-CB 3.23Å; A10-L14 WeakPolarHBondContact O-CG 3.29Å; A10-L14 PolarHBondContact O-N 2.88Å
11	Q	96.7	Very high	96.3	Very high	107 Å²	107	78.8 Å²	78.8	50%	0.5	40%	0.403	S	S	.	.	H	α-helix	trans	-59.6	-51.4	174.9	-74.9	172.3	-12.3	0	0	111.2	L7 S8 L13 L14 E15	L7-Q11 WeakPolarHBondContact O-CG 3.4Å; L7-Q11 PolarHBondContact O-N 2.66Å; S8-Q11 PolarHBondContact O-N 2.98Å; Q11-L13 VanDerWaalsContact C-N 3.3Å; Q11-L13 PolarHBondContact O-N 2.85Å; Q11-L14 PolarHBondContact O-N 3.33Å; Q11-E15 WeakPolarHBondContact O-CG 3.23Å; Q11-E15 PolarHBondContact O-N 3.36Å
12	L	96.8	Very high	96.4	Very high	69 Å²	69	76.2 Å²	76.2	36%	0.361	39%	0.392	S	S	.	.	H	α-helix	trans	-58.3	-42.3	176.9	-70.4	170.8	0	0	0	112.2	S8 A9 F16 F58 L62	S8-L12 PolarHBondContact O-N 3.18Å; A9-L12 PolarHBondContact O-N 2.93Å; L12-F16 WeakPolarHBondContact O-CB 3.26Å; L12-F16 PolarHBondContact O-N 3.33Å; L12-F58 HydrophobicContact CB-CE1 4.29Å; L12-L62 HydrophobicContact CB-CD2 4.43Å
13	L	97.3	Very high	96.4	Very high	65 Å²	65	72.2 Å²	72.2	34%	0.34	37%	0.371	S	S	.	.	H	α-helix	trans	-67.2	-40.9	178.8	-175.1	58.8	0	0	0	112.2	A9 A10 Q11 F16 I17 F58 L62	A9-L13 WeakPolarHBondContact O-CB 3.44Å; A9-L13 PolarHBondContact O-N 3.26Å; A10-L13 PolarHBondContact O-N 3.3Å; Q11-L13 VanDerWaalsContact C-N 3.3Å; Q11-L13 PolarHBondContact O-N 2.85Å; L13-F16 HydrophobicContact CD1-CD1 4.32Å; L13-F16 WeakPolarHBondContact O-CB 3.49Å; L13-F16 PolarHBondContact O-N 2.95Å; L13-I17 HydrophobicContact CD1-CD1 4.47Å; L13-I17 HydrophobicContact CG-CD1 4.03Å; L13-I17 VanDerWaalsContact O-CG1 3.25Å; L13-I17 WeakPolarHBondContact O-CG1 3.29Å; L13-I17 PolarHBondContact O-N 2.88Å; L13-F58 HydrophobicContact CB-CZ 4.13Å; L13-L62 HydrophobicContact CD1-CD1 4.38Å
14	L	96.6	Very high	96.2	Very high	75 Å²	75	67.7 Å²	67.7	39%	0.393	34%	0.339	S	S	.	.	H	α-helix	trans	-64.5	-42.5	177.9	-73.5	171.2	0	0	0	111.3	A10 Q11 F16 I17 V18	A10-L14 WeakPolarHBondContact O-CB 3.23Å; A10-L14 WeakPolarHBondContact O-CG 3.29Å; A10-L14 PolarHBondContact O-N 2.88Å; Q11-L14 PolarHBondContact O-N 3.33Å; L14-F16 VanDerWaalsContact C-N 3.34Å; L14-I17 PolarHBondContact O-N 3.47Å; L14-V18 WeakPolarHBondContact O-CG2 3.48Å; L14-V18 PolarHBondContact O-N 3.37Å
15	E	97	Very high	96	Very high	134 Å²	134	63.4 Å²	63.4	63%	0.626	32%	0.319	S	S	*	.	H	α-helix	trans	-59.8	-45.4	172.7	-71.8	178.1	-171.5	0	0	111.5	Q11 I17 V18 K19	Q11-E15 WeakPolarHBondContact O-CG 3.23Å; Q11-E15 PolarHBondContact O-N 3.36Å; E15-I17 PolarHBondContact O-N 3.49Å; E15-V18 PolarHBondContact O-N 3.41Å; E15-K19 WeakPolarHBondContact O-CB 3.4Å; E15-K19 PolarHBondContact O-N 3.05Å
16	F	97.1	Very high	95.8	Very high	39 Å²	39	63.6 Å²	63.6	17%	0.171	33%	0.328	C	S	.	.	H	α-helix	trans	-60	-44	175.5	175.3	-103.6	0	0	0	112.2	L12 L13 L14 V18 K19 Y20 L62 I65 K66 M70	L12-F16 WeakPolarHBondContact O-CB 3.26Å; L12-F16 PolarHBondContact O-N 3.33Å; L13-F16 HydrophobicContact CD1-CD1 4.32Å; L13-F16 WeakPolarHBondContact O-CB 3.49Å; L13-F16 PolarHBondContact O-N 2.95Å; L14-F16 VanDerWaalsContact C-N 3.34Å; F16-V18 PolarHBondContact O-N 3.1Å; F16-K19 PolarHBondContact O-N 3.5Å; F16-Y20 VanDerWaalsContact O-CB 3.27Å; F16-Y20 WeakPolarHBondContact O-CB 3.01Å; F16-Y20 PolarHBondContact O-N 2.96Å; F16-L62 HydrophobicContact CB-CD1 4.44Å; F16-L62 HydrophobicContact CD1-CD1 4.09Å; F16-L62 HydrophobicContact CG-CD1 4.1Å; F16-I65 HydrophobicContact CE1-CG2 4.3Å; F16-I65 HydrophobicContact CZ-CG2 4.36Å; F16-K66 HydrophobicContact CD2-CG 4.47Å; F16-K66 HydrophobicContact CE2-CD 4.47Å; F16-K66 HydrophobicContact CE2-CG 3.78Å; F16-K66 HydrophobicContact CZ-CG 4.31Å; F16-M70 HydrophobicContact CZ-CE 4.45Å; F16-M70 HydrophobicContact CZ-CG 4.17Å; F16-M70 HydrophobicContact CZ-SD 4.02Å
17	I	96.9	Very high	95.7	Very high	41 Å²	41	62 Å²	62	21%	0.21	32%	0.319	C	S	.	.	H	α-helix	trans	-60.1	-45.9	178	-72.7	163.3	0	0	0	110.8	L13 L14 E15 Y20 R21 I94	L13-I17 HydrophobicContact CD1-CD1 4.47Å; L13-I17 HydrophobicContact CG-CD1 4.03Å; L13-I17 VanDerWaalsContact O-CG1 3.25Å; L13-I17 WeakPolarHBondContact O-CG1 3.29Å; L13-I17 PolarHBondContact O-N 2.88Å; L14-I17 PolarHBondContact O-N 3.47Å; E15-I17 PolarHBondContact O-N 3.49Å; I17-Y20 PolarHBondContact O-N 3.08Å; I17-R21 HydrophobicContact CG2-CG 4.49Å; I17-R21 WeakPolarHBondContact O-CB 3.48Å; I17-R21 WeakPolarHBondContact O-CG 3.27Å; I17-R21 PolarHBondContact O-N 3.2Å; I17-I94 HydrophobicContact CG2-CD1 4.5Å
18	V	96.9	Very high	95.6	Very high	65 Å²	65	62.4 Å²	62.4	39%	0.394	32%	0.318	S	S	.	.	H	α-helix	trans	-63.1	-47.4	178.5	172.6	0	0	0	0	110.4	L14 E15 F16 Y20 R21 N22 Y91	L14-V18 WeakPolarHBondContact O-CG2 3.48Å; L14-V18 PolarHBondContact O-N 3.37Å; E15-V18 PolarHBondContact O-N 3.41Å; F16-V18 PolarHBondContact O-N 3.1Å; V18-Y20 PolarHBondContact O-N 3.44Å; V18-R21 PolarHBondContact O-N 3.28Å; V18-N22 WeakPolarHBondContact O-CB 3.26Å; V18-N22 VanDerWaalsContact O-CG 3.26Å; V18-N22 PolarHBondContact O-N 3.31Å; V18-N22 PolarHBondContact O-ND2 3.43Å; V18-Y91 HydrophobicContact CG2-CE1 4.29Å
19	K	96.7	Very high	95.4	Very high	136 Å²	136	61.8 Å²	61.8	59%	0.591	31%	0.307	S	S	*	.	H	α-helix	trans	-58.7	-48.9	176.9	-175.9	178.6	178.7	-178.9	0	111.3	E15 F16 R21 N22 G23	E15-K19 WeakPolarHBondContact O-CB 3.4Å; E15-K19 PolarHBondContact O-N 3.05Å; F16-K19 PolarHBondContact O-N 3.5Å; K19-R21 PolarHBondContact O-N 3.41Å; K19-N22 PolarHBondContact O-N 2.92Å; K19-G23 PolarHBondContact O-N 2.63Å
20	Y	96.6	Very high	95.2	Very high	44 Å²	44	65 Å²	65	17%	0.173	33%	0.327	C	S	.	.	H	α-helix	trans	-58.2	-50.1	178.6	164.5	-118.7	0	0	0	111.7	F16 I17 V18 N22 G23 A24 F29 M70 H75	F16-Y20 VanDerWaalsContact O-CB 3.27Å; F16-Y20 WeakPolarHBondContact O-CB 3.01Å; F16-Y20 PolarHBondContact O-N 2.96Å; I17-Y20 PolarHBondContact O-N 3.08Å; V18-Y20 PolarHBondContact O-N 3.44Å; Y20-N22 VanDerWaalsContact C-N 3.35Å; Y20-N22 PolarHBondContact O-N 3.3Å; Y20-G23 PolarHBondContact O-N 3.38Å; Y20-A24 HydrophobicContact CE2-CB 4.1Å; Y20-A24 WeakPolarHBondContact O-CB 3.49Å; Y20-A24 PolarHBondContact O-N 3Å; Y20-F29 HydrophobicContact CD2-CD2 4.21Å; Y20-F29 AromaticContact CD2-CE2 3.87Å; Y20-F29 HydrophobicContact CD2-CE2 3.87Å; Y20-F29 HydrophobicContact CE2-CD2 4.3Å; Y20-F29 HydrophobicContact CE2-CE2 4.41Å; Y20-M70 HydrophobicContact CD2-CE 3.27Å; Y20-M70 HydrophobicContact CE2-CE 3.37Å; Y20-M70 HydrophobicContact CG-CE 4.04Å; Y20-H75 AromaticContact CE2-CE1 3.66Å; Y20-H75 AromaticContact CE2-ND1 3.34Å; Y20-H75 VanDerWaalsContact CE2-ND1 3.34Å; Y20-H75 WeakPolarHBondContact CE2-ND1 3.13Å; Y20-H75 AromaticContact CZ-ND1 3.63Å; Y20-H75 PolarHBondContact OH-ND1 3.5Å
21	R	94.5	Very high	95.2	Very high	23 Å²	23	64 Å²	64	9%	0.087	32%	0.319	C	S	.	.	H	α-helix	trans	-61.8	-44.7	-178.9	-75.3	-166.1	71.1	155.1	8.4	111.5	I17 V18 K19 A24 F25 T89	I17-R21 HydrophobicContact CG2-CG 4.49Å; I17-R21 WeakPolarHBondContact O-CB 3.48Å; I17-R21 WeakPolarHBondContact O-CG 3.27Å; I17-R21 PolarHBondContact O-N 3.2Å; V18-R21 PolarHBondContact O-N 3.28Å; K19-R21 PolarHBondContact O-N 3.41Å; R21-A24 PolarHBondContact O-N 2.95Å; R21-F25 WeakPolarHBondContact O-CD2 3.3Å; R21-F25 PolarHBondContact O-N 3.31Å; R21-T89 PolarHBondContact NH2-O 3.19Å
22	N	94.4	Very high	95.1	Very high	89 Å²	89	59.9 Å²	59.9	48%	0.476	30%	0.3	S	S	.	.	H	α-helix	trans	-63.2	-45.3	177.4	-68.8	-12	0	0	0	111.2	V18 K19 Y20 A24 F25 S26	V18-N22 WeakPolarHBondContact O-CB 3.26Å; V18-N22 VanDerWaalsContact O-CG 3.26Å; V18-N22 PolarHBondContact O-N 3.31Å; V18-N22 PolarHBondContact O-ND2 3.43Å; K19-N22 PolarHBondContact O-N 2.92Å; Y20-N22 VanDerWaalsContact C-N 3.35Å; Y20-N22 PolarHBondContact O-N 3.3Å; N22-A24 PolarHBondContact O-N 2.94Å; N22-F25 PolarHBondContact O-N 3.39Å; N22-S26 PolarHBondContact O-N 3.17Å; N22-S26 PolarHBondContact O-OG 3.24Å; N22-S26 VanDerWaalsContact O-OG 3.1Å
23	G	94.4	Very high	95	Very high	2 Å²	2	57.9 Å²	57.9	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-60.6	-42.4	176.5	0	0	0	0	0	112.9	K19 Y20 F25 S26 R27 E28	K19-G23 PolarHBondContact O-N 2.63Å; Y20-G23 PolarHBondContact O-N 3.38Å; G23-F25 PolarHBondContact O-N 3.19Å; G23-S26 WeakPolarHBondContact CA-OG 3.36Å; G23-S26 CarbonylContact O-C 3.52Å; G23-S26 PolarHBondContact O-N 3.03Å; G23-S26 PolarHBondContact O-OG 3.4Å; G23-R27 PolarHBondContact O-N 3.12Å; G23-R27 VanDerWaalsContact O-N 3.1Å; G23-E28 WeakPolarHBondContact CA-OE2 3.4Å; G23-E28 WeakPolarHBondContact O-CB 3.39Å; G23-E28 PolarHBondContact O-N 3.28Å
24	A	91.7	Very high	94.7	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.3	-41.3	174.7	0	0	0	0	0	111.8	Y20 R21 N22 R27 H78 P79	Y20-A24 HydrophobicContact CE2-CB 4.1Å; Y20-A24 WeakPolarHBondContact O-CB 3.49Å; Y20-A24 PolarHBondContact O-N 3Å; R21-A24 PolarHBondContact O-N 2.95Å; N22-A24 PolarHBondContact O-N 2.94Å; A24-R27 PolarHBondContact O-N 2.9Å; A24-H78 PolarHBondContact O-CD2 3.49Å; A24-P79 VanDerWaalsContact O-CD 3.28Å; A24-P79 WeakPolarHBondContact O-CD 3.32Å
25	F	92.1	Very high	94.3	Very high	58 Å²	58	59.2 Å²	59.2	25%	0.254	30%	0.295	S	S	.	.	H	α-helix	trans	-69.1	-33.1	175.3	-78.8	-61.2	0	0	0	113.2	R21 N22 G23 R27 I492 H493	R21-F25 WeakPolarHBondContact O-CD2 3.3Å; R21-F25 PolarHBondContact O-N 3.31Å; N22-F25 PolarHBondContact O-N 3.39Å; G23-F25 PolarHBondContact O-N 3.19Å; F25-R27 VanDerWaalsContact C-N 3.3Å; F25-R27 PolarHBondContact O-N 3.42Å; F25-I492 HydrophobicContact CE1-CD1 4.44Å; F25-H493 WeakPolarHBondContact CE1-O 3.43Å
26	S	92.6	Very high	93.8	Very high	81 Å²	81	60.6 Å²	60.6	57%	0.566	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	10.9	178.5	65.5	0	0	0	0	114.2	N22 G23 E28	N22-S26 PolarHBondContact O-N 3.17Å; N22-S26 PolarHBondContact O-OG 3.24Å; N22-S26 VanDerWaalsContact O-OG 3.1Å; G23-S26 WeakPolarHBondContact CA-OG 3.36Å; G23-S26 CarbonylContact O-C 3.52Å; G23-S26 PolarHBondContact O-N 3.03Å; G23-S26 PolarHBondContact O-OG 3.4Å; S26-E28 VanDerWaalsContact C-N 3.29Å; S26-E28 PolarHBondContact O-N 3.24Å
27	R	94.9	Very high	93.3	Very high	74 Å²	74	64.3 Å²	64.3	28%	0.279	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	33.6	-179.3	-51	179.1	167.3	72.8	2	114.1	G23 A24 F25 F29 H78 P79 D80 D499	G23-R27 PolarHBondContact O-N 3.12Å; G23-R27 VanDerWaalsContact O-N 3.1Å; A24-R27 PolarHBondContact O-N 2.9Å; F25-R27 VanDerWaalsContact C-N 3.3Å; F25-R27 PolarHBondContact O-N 3.42Å; R27-F29 VanDerWaalsContact C-N 3.25Å; R27-H78 WeakPolarHBondContact CA-NE2 3.2Å; R27-P79 HydrophobicContact CG-CG 4.22Å; R27-D80 WeakPolarHBondContact CD-OD2 3.1Å; R27-D80 IonicContact CZ-OD1 3.84Å; R27-D80 IonicContact CZ-OD2 3.36Å; R27-D80 IonicContact NE-OD1 3.5Å; R27-D80 IonicContact NE-OD2 3.82Å; R27-D80 PolarHBondContact NE-OD2 3.24Å; R27-D80 IonicContact NH2-OD1 3.23Å; R27-D80 PolarHBondContact NH2-OD1 2.92Å; R27-D80 IonicContact NH2-OD2 2.74Å; R27-D80 PolarHBondContact NH2-OD2 3.03Å; R27-D499 IonicContact CZ-OD1 2.7Å; R27-D499 VanDerWaalsContact CZ-OD1 3.24Å; R27-D499 IonicContact NH1-OD1 2.81Å; R27-D499 PolarHBondContact NH1-OD1 3.42Å; R27-D499 IonicContact NH2-OD1 3.59Å; R27-D499 PolarHBondContact NH2-OD1 3.14Å
28	E	94.2	Very high	93.1	Very high	110 Å²	110	63.6 Å²	63.6	51%	0.514	32%	0.319	S	S	.	.	S	Bend	trans	-69	-27.3	172.5	-171.6	-179.9	168.7	0	0	111.6	G23 S26	G23-E28 WeakPolarHBondContact CA-OE2 3.4Å; G23-E28 WeakPolarHBondContact O-CB 3.39Å; G23-E28 PolarHBondContact O-N 3.28Å; S26-E28 VanDerWaalsContact C-N 3.29Å; S26-E28 PolarHBondContact O-N 3.24Å
29	F	91.7	Very high	92.9	Very high	55 Å²	55	66.9 Å²	66.9	24%	0.241	33%	0.328	C	S	.	.	S	Bend	trans	-115.7	146.4	176.6	-46.8	-69.1	0	0	0	109.7	Y20 R27 H78	Y20-F29 HydrophobicContact CD2-CD2 4.21Å; Y20-F29 AromaticContact CD2-CE2 3.87Å; Y20-F29 HydrophobicContact CD2-CE2 3.87Å; Y20-F29 HydrophobicContact CE2-CD2 4.3Å; Y20-F29 HydrophobicContact CE2-CE2 4.41Å; R27-F29 VanDerWaalsContact C-N 3.25Å; F29-H78 PolarHBondContact O-CD2 3.15Å; F29-H78 PolarHBondContact O-NE2 3.14Å; F29-H78 VanDerWaalsContact O-NE2 3.14Å
30	P	93.1	Very high	92.9	Very high	76 Å²	76	66.2 Å²	66.2	49%	0.494	34%	0.338	S	S	.	.			trans	-65.4	151.9	173.4	31	-36.1	0	0	0	110.3	L32 H75	P30-L32 VanDerWaalsContact C-N 3.28Å; P30-L32 WeakPolarHBondContact CB-O 3.48Å; P30-L32 WeakPolarHBondContact CG-O 3.25Å; P30-L32 PolarHBondContact O-N 3.25Å; P30-H75 PolarHBondContact O-CD2 3.06Å
31	V	96.6	Very high	92.8	Very high	1 Å²	1	70.4 Å²	70.4	1%	0.006	36%	0.363	C	S	.	.	S	Bend	trans	-66.2	-33.4	177.2	58.2	0	0	0	0	112.4	T74 H75 H78 F81 G448	V31-T74 WeakPolarHBondContact O-CA 3.4Å; V31-H75 PolarHBondContact O-N 3.04Å; V31-H78 HydrophobicContact CB-CB 4.23Å; V31-H78 HydrophobicContact CG2-CB 4.09Å; V31-F81 HydrophobicContact CG2-CB 3.88Å; V31-F81 HydrophobicContact CG2-CD2 4.18Å; V31-G448 VanDerWaalsContact CG1-O 3.24Å; V31-G448 WeakPolarHBondContact CG1-O 3.35Å
32	L	96.1	Very high	92.8	Very high	20 Å²	20	71.5 Å²	71.5	11%	0.105	37%	0.368	C	S	.	.	S	Bend	trans	-113.5	150	177.5	-74.8	168.1	0	0	0	110.6	P30 T74 L445 Y451	P30-L32 VanDerWaalsContact C-N 3.28Å; P30-L32 WeakPolarHBondContact CB-O 3.48Å; P30-L32 WeakPolarHBondContact CG-O 3.25Å; P30-L32 PolarHBondContact O-N 3.25Å; L32-T74 HydrophobicContact CD2-CG2 3.97Å; L32-L445 HydrophobicContact CD1-CD1 3.61Å; L32-Y451 HydrophobicContact CD1-CD2 3.88Å; L32-Y451 HydrophobicContact CD1-CG 4.04Å; L32-Y451 HydrophobicContact CD2-CD1 3.81Å; L32-Y451 HydrophobicContact CD2-CD2 4.02Å; L32-Y451 HydrophobicContact CD2-CE1 4.02Å; L32-Y451 HydrophobicContact CD2-CE2 4.24Å; L32-Y451 HydrophobicContact CD2-CG 3.8Å; L32-Y451 HydrophobicContact CG-CD1 4.43Å; L32-Y451 HydrophobicContact CG-CD2 4.31Å; L32-Y451 HydrophobicContact CG-CG 4.04Å
33	P	94.4	Very high	92.9	Very high	27 Å²	27	69.9 Å²	69.9	18%	0.175	36%	0.359	C	S	.	.			trans	-64.7	146.2	174.2	29.1	-35	0	0	0	110.7	K35 V38 P71 L73	P33-K35 PolarHBondContact O-N 3.43Å; P33-K35 VanDerWaalsContact O-N 3.11Å; P33-V38 HydrophobicContact CB-CB 3.93Å; P33-V38 HydrophobicContact CB-CG1 3.93Å; P33-V38 HydrophobicContact CB-CG2 3.94Å; P33-V38 HydrophobicContact CG-CG1 4.2Å; P33-P71 WeakPolarHBondContact CB-O 3.42Å; P33-L73 WeakPolarHBondContact CD-O 3.42Å
34	N	89.9	Confident	93	Very high	76 Å²	76	78 Å²	78	41%	0.406	39%	0.394	S	S	.	.			trans	-64.4	114	176.9	-179	-17.9	0	0	0	109.8	E36 I37 V38	N34-E36 PolarHBondContact O-N 3.38Å; N34-E36 WeakPolarHBondContact OD1-CB 3.38Å; N34-E36 PolarHBondContact OD1-N 3.42Å; N34-I37 HydrophobicContact CB-CD1 4.2Å; N34-I37 HydrophobicContact CB-CG1 4.35Å; N34-I37 PolarHBondContact O-N 3.42Å; N34-V38 WeakPolarHBondContact O-CB 3.36Å; N34-V38 PolarHBondContact O-N 3.16Å
35	K	88.8	Confident	93	Very high	92 Å²	92	83 Å²	83	40%	0.4	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-20.7	-177.2	-64.5	-178.7	-177.3	177.4	0	114.3	P33 L445 N446	P33-K35 PolarHBondContact O-N 3.43Å; P33-K35 VanDerWaalsContact O-N 3.11Å; K35-L445 WeakPolarHBondContact CE-O 3.31Å; K35-L445 PolarHBondContact NZ-O 3.48Å; K35-N446 PolarHBondContact NZ-OD1 3.48Å
36	E	87	Confident	93.1	Very high	164 Å²	164	83.9 Å²	83.9	77%	0.766	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-35.7	175.1	-62.2	-172.6	161.4	0	0	111.4	N34	N34-E36 PolarHBondContact O-N 3.38Å; N34-E36 WeakPolarHBondContact OD1-CB 3.38Å; N34-E36 PolarHBondContact OD1-N 3.42Å
37	I	85.1	Confident	93.2	Very high	116 Å²	116	83.9 Å²	83.9	60%	0.595	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-41.5	-177.9	-56	175.6	0	0	0	110.6	N34	N34-I37 HydrophobicContact CB-CD1 4.2Å; N34-I37 HydrophobicContact CB-CG1 4.35Å; N34-I37 PolarHBondContact O-N 3.42Å
38	V	93.1	Very high	93.2	Very high	27 Å²	27	84.5 Å²	84.5	16%	0.164	44%	0.444	C	S	.	.			trans	-106.3	100.8	-169.1	179.5	0	0	0	0	109.7	P33 N34 Y42	P33-V38 HydrophobicContact CB-CB 3.93Å; P33-V38 HydrophobicContact CB-CG1 3.93Å; P33-V38 HydrophobicContact CB-CG2 3.94Å; P33-V38 HydrophobicContact CG-CG1 4.2Å; N34-V38 WeakPolarHBondContact O-CB 3.36Å; N34-V38 PolarHBondContact O-N 3.16Å; V38-Y42 HydrophobicContact CB-CD1 4.49Å; V38-Y42 HydrophobicContact CG1-CD1 3.7Å; V38-Y42 HydrophobicContact CG1-CE1 3.65Å; V38-Y42 HydrophobicContact CG1-CG 4.24Å; V38-Y42 HydrophobicContact CG2-CD2 4.34Å; V38-Y42 HydrophobicContact CG2-CE2 4.28Å
39	K	93.8	Very high	93.2	Very high	133 Å²	133	86.4 Å²	86.4	58%	0.578	46%	0.457	S	S	*	.			trans	-119.2	163.6	173.6	-65.1	-178.3	-173.9	175.6	0	110.2	N41 Y42	K39-N41 PolarHBondContact O-N 3.17Å; K39-Y42 WeakPolarHBondContact O-CB 3.36Å; K39-Y42 WeakPolarHBondContact O-CD1 3.37Å; K39-Y42 PolarHBondContact O-N 2.84Å
40	P	96.2	Very high	93.5	Very high	123 Å²	123	91.2 Å²	91.2	80%	0.799	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.8	130.1	173.7	-28.8	36.3	0	0	0	111.6
41	N	94.4	Very high	93.7	Very high	131 Å²	131	91.7 Å²	91.7	70%	0.701	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	9.1	-174.7	-50.4	-60.3	0	0	0	117.7	K39 L43 K44	K39-N41 PolarHBondContact O-N 3.17Å; N41-L43 VanDerWaalsContact C-N 3.26Å; N41-L43 PolarHBondContact O-N 3.06Å; N41-L43 VanDerWaalsContact O-N 3.17Å; N41-K44 VanDerWaalsContact O-CB 3.25Å; N41-K44 WeakPolarHBondContact O-CB 3.17Å; N41-K44 PolarHBondContact O-N 3.12Å
42	Y	95.2	Very high	93.7	Very high	47 Å²	47	95.3 Å²	95.3	18%	0.184	51%	0.512	C	S	.	.	G	3₁₀ helix	trans	-54.5	-36.8	-179	83.1	-76	0	0	0	114.2	V38 K39 K44 S45 L46 G72	V38-Y42 HydrophobicContact CB-CD1 4.49Å; V38-Y42 HydrophobicContact CG1-CD1 3.7Å; V38-Y42 HydrophobicContact CG1-CE1 3.65Å; V38-Y42 HydrophobicContact CG1-CG 4.24Å; V38-Y42 HydrophobicContact CG2-CD2 4.34Å; V38-Y42 HydrophobicContact CG2-CE2 4.28Å; K39-Y42 WeakPolarHBondContact O-CB 3.36Å; K39-Y42 WeakPolarHBondContact O-CD1 3.37Å; K39-Y42 PolarHBondContact O-N 2.84Å; Y42-K44 PolarHBondContact O-N 3.45Å; Y42-S45 PolarHBondContact O-N 3.26Å; Y42-S45 PolarHBondContact O-OG 2.87Å; Y42-L46 HydrophobicContact CD2-CD1 4.09Å; Y42-L46 HydrophobicContact CE2-CD1 4.29Å; Y42-G72 WeakPolarHBondContact OH-CA 3.33Å
43	L	96	Very high	93.7	Very high	55 Å²	55	103 Å²	103	29%	0.288	55%	0.548	S	S	.	.	G	3₁₀ helix	trans	-63.5	-27	177.9	-78.2	168.6	0	0	0	113.4	N41 S45 L46 I47 K68 I69	N41-L43 VanDerWaalsContact C-N 3.26Å; N41-L43 PolarHBondContact O-N 3.06Å; N41-L43 VanDerWaalsContact O-N 3.17Å; L43-S45 PolarHBondContact O-N 2.97Å; L43-L46 PolarHBondContact O-N 2.92Å; L43-I47 HydrophobicContact CB-CD1 4.36Å; L43-I47 HydrophobicContact CD2-CD1 4.02Å; L43-I47 HydrophobicContact CD2-CG1 4.5Å; L43-I47 PolarHBondContact O-N 2.91Å; L43-K68 HydrophobicContact CD2-CB 4.42Å; L43-K68 WeakPolarHBondContact CD2-O 3.38Å; L43-I69 HydrophobicContact CD1-CD1 4.48Å; L43-I69 HydrophobicContact CD2-CD1 3.91Å
44	K	95.5	Very high	93.9	Very high	173 Å²	173	108.2 Å²	108.2	75%	0.752	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-63.3	-28.1	-174.2	-170.4	177.1	179.3	-179.8	0	112.3	N41 Y42	N41-K44 VanDerWaalsContact O-CB 3.25Å; N41-K44 WeakPolarHBondContact O-CB 3.17Å; N41-K44 PolarHBondContact O-N 3.12Å; Y42-K44 PolarHBondContact O-N 3.45Å
45	S	92.2	Very high	94.1	Very high	104 Å²	104	112.9 Å²	112.9	73%	0.727	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-86	-11.9	174.5	51.9	0	0	0	0	113.8	Y42 L43	Y42-S45 PolarHBondContact O-N 3.26Å; Y42-S45 PolarHBondContact O-OG 2.87Å; L43-S45 PolarHBondContact O-N 2.97Å
46	L	95.1	Very high	94.4	Very high	77 Å²	77	113.6 Å²	113.6	40%	0.403	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.4	-23.5	-176.2	-59.3	179.6	0	0	0	113.1	Y42 L43 K68	Y42-L46 HydrophobicContact CD2-CD1 4.09Å; Y42-L46 HydrophobicContact CE2-CD1 4.29Å; L43-L46 PolarHBondContact O-N 2.92Å; L46-K68 HydrophobicContact CB-CB 4.41Å; L46-K68 HydrophobicContact CB-CD 4.19Å; L46-K68 HydrophobicContact CB-CG 4.2Å; L46-K68 HydrophobicContact CD1-CB 4.39Å; L46-K68 WeakPolarHBondContact O-CD 3.31Å; L46-K68 WeakPolarHBondContact O-CE 3.5Å; L46-K68 PolarHBondContact O-NZ 3.25Å
47	I	94.8	Very high	94.8	Very high	81 Å²	81	110.1 Å²	110.1	42%	0.415	58%	0.582	S	S	.	*	S	Bend	trans	-110.5	140.6	-178.1	-58.1	-179.2	0	0	0	109.2	L43 K68 I69	L43-I47 HydrophobicContact CB-CD1 4.36Å; L43-I47 HydrophobicContact CD2-CD1 4.02Å; L43-I47 HydrophobicContact CD2-CG1 4.5Å; L43-I47 PolarHBondContact O-N 2.91Å; I47-K68 HydrophobicContact CG1-CD 4.49Å; I47-I69 HydrophobicContact CD1-CD1 4.34Å
48	S	93.8	Very high	95.3	Very high	87 Å²	87	107 Å²	107	61%	0.608	56%	0.564	S	S	*	*			trans	-52	141.1	172.7	175.7	0	0	0	0	111.3	K50	S48-K50 WeakPolarHBondContact CB-O 3.2Å; S48-K50 PolarHBondContact O-N 2.94Å; S48-K50 PolarHBondContact OG-N 3.09Å; S48-K50 PolarHBondContact OG-O 3.46Å
49	N	95.4	Very high	95.5	Very high	149 Å²	149	110.6 Å²	110.6	80%	0.797	58%	0.583	S	S	*	*	S	Bend	trans	-76	-3.4	176.4	67.8	-7.7	0	0	0	113.6
50	K	96.7	Very high	95.6	Very high	156 Å²	156	108.8 Å²	108.8	68%	0.678	58%	0.576	S	S	*	*	S	Bend	trans	-134.9	148.9	176.6	-65.7	-177.8	-177.4	-176.8	0	110.4	S48	S48-K50 WeakPolarHBondContact CB-O 3.2Å; S48-K50 PolarHBondContact O-N 2.94Å; S48-K50 PolarHBondContact OG-N 3.09Å; S48-K50 PolarHBondContact OG-O 3.46Å
51	A	97.2	Very high	95.6	Very high	86 Å²	86	106.6 Å²	106.6	71%	0.711	56%	0.557	S	S	*	*			trans	-63.1	148.9	168.8	0	0	0	0	0	110.5
52	P	96.6	Very high	95.8	Very high	77 Å²	77	100.7 Å²	100.7	50%	0.5	53%	0.526	S	S	.	.			trans	-72.3	142.8	178	32.2	-36.6	0	0	0	111	N54 E56	P52-N54 WeakPolarHBondContact CB-O 3.37Å; P52-E56 HydrophobicContact CB-CG 4.42Å; P52-E56 HydrophobicContact CG-CG 4.46Å
53	E	97.5	Very high	95.9	Very high	183 Å²	183	102.3 Å²	102.3	86%	0.855	54%	0.535	S	S	*	.	S	Bend	trans	-75.7	-29.6	174	-68.3	-66.5	166.6	0	0	112.1
54	N	96.9	Very high	95.9	Very high	135 Å²	135	102.5 Å²	102.5	72%	0.722	54%	0.536	S	S	*	.	S	Bend	trans	-111.2	155.3	179.9	-64.2	-57.1	0	0	0	110.4	P52	P52-N54 WeakPolarHBondContact CB-O 3.37Å
55	K	94.9	Very high	96	Very high	174 Å²	174	97 Å²	97	76%	0.757	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-62.2	141.3	173.7	70.2	175	-171.4	169	0	110.8	E5	E5-K55 IonicContact OE1-NZ 3.8Å
56	E	95.3	Very high	96.2	Very high	107 Å²	107	96 Å²	96	50%	0.5	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-99.8	161.3	169.9	-65.8	175.8	124.7	0	0	110	P52 I61	P52-E56 HydrophobicContact CB-CG 4.42Å; P52-E56 HydrophobicContact CG-CG 4.46Å; E56-I61 HydrophobicContact CB-CG1 4.5Å
57	N	95	Very high	96.3	Very high	92 Å²	92	96.8 Å²	96.8	49%	0.492	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-77.4	146	179.1	-63.3	-53.8	0	0	0	110.8	D59 E60 I61	N57-D59 PolarHBondContact O-N 2.92Å; N57-E60 HydrophobicContact CB-CG 4.15Å; N57-E60 PolarHBondContact N-OE2 3.49Å; N57-E60 PolarHBondContact ND2-OE1 2.68Å; N57-E60 WeakPolarHBondContact O-CB 3.23Å; N57-E60 PolarHBondContact O-N 3.33Å; N57-E60 VanDerWaalsContact O-N 3.13Å; N57-I61 PolarHBondContact O-N 2.83Å; N57-I61 VanDerWaalsContact O-N 3.17Å
58	F	96.3	Very high	96.3	Very high	50 Å²	50	95.3 Å²	95.3	22%	0.219	49%	0.492	C	S	.	.	H	α-helix	trans	-60.5	-35.3	179.1	179.5	-102	0	0	0	112.5	M1 A9 L12 L13 E60 I61 L62	M1-F58 HydrophobicContact CE-CB 4.27Å; M1-F58 HydrophobicContact CE-CD2 4.34Å; A9-F58 HydrophobicContact CB-CB 4.28Å; A9-F58 HydrophobicContact CB-CD1 3.52Å; A9-F58 HydrophobicContact CB-CD2 3.99Å; A9-F58 HydrophobicContact CB-CE1 3.76Å; A9-F58 HydrophobicContact CB-CE2 4.21Å; A9-F58 HydrophobicContact CB-CG 3.64Å; A9-F58 HydrophobicContact CB-CZ 4.11Å; A9-F58 WeakPolarHBondContact O-CE1 3.37Å; L12-F58 HydrophobicContact CB-CE1 4.29Å; L13-F58 HydrophobicContact CB-CZ 4.13Å; F58-E60 VanDerWaalsContact C-N 3.32Å; F58-E60 PolarHBondContact O-N 3.3Å; F58-I61 PolarHBondContact O-N 2.92Å; F58-L62 HydrophobicContact CE1-CB 4.29Å; F58-L62 HydrophobicContact CE1-CD2 4.11Å; F58-L62 HydrophobicContact CZ-CB 4.48Å; F58-L62 WeakPolarHBondContact O-CB 3.23Å; F58-L62 PolarHBondContact O-N 3.48Å
59	D	96.2	Very high	96.4	Very high	103 Å²	103	94.1 Å²	94.1	55%	0.551	48%	0.478	S	S	*	.	H	α-helix	trans	-62.7	-38	177.2	-62.1	-57.2	0	0	0	112.4	N57 L62 Q63	N57-D59 PolarHBondContact O-N 2.92Å; D59-L62 PolarHBondContact O-N 3.26Å; D59-Q63 VanDerWaalsContact O-CB 3.29Å; D59-Q63 WeakPolarHBondContact O-CB 3.34Å; D59-Q63 PolarHBondContact O-N 2.93Å
60	E	96	Very high	96.4	Very high	95 Å²	95	88 Å²	88	44%	0.444	45%	0.445	S	S	.	.	H	α-helix	trans	-65.2	-43.9	175	-66.5	161	-174.1	0	0	110.3	N57 F58 Q63 D64	N57-E60 HydrophobicContact CB-CG 4.15Å; N57-E60 PolarHBondContact N-OE2 3.49Å; N57-E60 PolarHBondContact ND2-OE1 2.68Å; N57-E60 WeakPolarHBondContact O-CB 3.23Å; N57-E60 PolarHBondContact O-N 3.33Å; N57-E60 VanDerWaalsContact O-N 3.13Å; F58-E60 VanDerWaalsContact C-N 3.32Å; F58-E60 PolarHBondContact O-N 3.3Å; E60-Q63 PolarHBondContact O-N 2.84Å; E60-D64 PolarHBondContact O-N 3.44Å
61	I	97.1	Very high	96.3	Very high	76 Å²	76	83.4 Å²	83.4	39%	0.39	43%	0.431	S	S	.	.	H	α-helix	trans	-62.9	-44.6	176.4	-61.3	169.2	0	0	0	110.8	E56 N57 F58 Q63 D64 I65	E56-I61 HydrophobicContact CB-CG1 4.5Å; N57-I61 PolarHBondContact O-N 2.83Å; N57-I61 VanDerWaalsContact O-N 3.17Å; F58-I61 PolarHBondContact O-N 2.92Å; I61-Q63 VanDerWaalsContact C-N 3.3Å; I61-Q63 PolarHBondContact O-N 3.46Å; I61-D64 WeakPolarHBondContact O-CB 3.28Å; I61-D64 PolarHBondContact O-N 2.76Å; I61-I65 WeakPolarHBondContact O-CG1 3.44Å; I61-I65 PolarHBondContact O-N 2.95Å
62	L	97.4	Very high	96.2	Very high	8 Å²	8	80.3 Å²	80.3	4%	0.042	41%	0.407	C	S	.	.	H	α-helix	trans	-67	-33.9	178.5	-176.7	60	0	0	0	111.5	L12 L13 F16 F58 D59 I65 K66	L12-L62 HydrophobicContact CB-CD2 4.43Å; L13-L62 HydrophobicContact CD1-CD1 4.38Å; F16-L62 HydrophobicContact CB-CD1 4.44Å; F16-L62 HydrophobicContact CD1-CD1 4.09Å; F16-L62 HydrophobicContact CG-CD1 4.1Å; F58-L62 HydrophobicContact CE1-CB 4.29Å; F58-L62 HydrophobicContact CE1-CD2 4.11Å; F58-L62 HydrophobicContact CZ-CB 4.48Å; F58-L62 WeakPolarHBondContact O-CB 3.23Å; F58-L62 PolarHBondContact O-N 3.48Å; D59-L62 PolarHBondContact O-N 3.26Å; L62-I65 HydrophobicContact CD1-CD1 4.46Å; L62-I65 PolarHBondContact O-N 2.91Å; L62-K66 WeakPolarHBondContact O-CG 3.42Å; L62-K66 PolarHBondContact O-N 3.3Å
63	Q	97.5	Very high	96.2	Very high	81 Å²	81	79.4 Å²	79.4	38%	0.379	40%	0.398	S	S	.	.	H	α-helix	trans	-67.4	-42	173.3	-167.3	57.6	37.9	0	0	111.4	D59 E60 I61 I65 K66 D67	D59-Q63 VanDerWaalsContact O-CB 3.29Å; D59-Q63 WeakPolarHBondContact O-CB 3.34Å; D59-Q63 PolarHBondContact O-N 2.93Å; E60-Q63 PolarHBondContact O-N 2.84Å; I61-Q63 VanDerWaalsContact C-N 3.3Å; I61-Q63 PolarHBondContact O-N 3.46Å; Q63-I65 VanDerWaalsContact C-N 3.3Å; Q63-I65 PolarHBondContact O-N 3.32Å; Q63-K66 WeakPolarHBondContact O-CB 2.95Å; Q63-K66 PolarHBondContact O-N 3.27Å; Q63-K66 VanDerWaalsContact O-N 3.07Å; Q63-D67 WeakPolarHBondContact CG-OD2 3.44Å; Q63-D67 PolarHBondContact NE2-OD1 2.86Å; Q63-D67 PolarHBondContact NE2-OD2 3.21Å; Q63-D67 PolarHBondContact O-N 2.78Å
64	D	97.5	Very high	96.1	Very high	59 Å²	59	72.7 Å²	72.7	32%	0.316	37%	0.37	S	S	.	.	H	α-helix	trans	-60.6	-37.9	173	-91	9.9	0	0	0	112.6	E60 I61 D67 K68 I69	E60-D64 PolarHBondContact O-N 3.44Å; I61-D64 WeakPolarHBondContact O-CB 3.28Å; I61-D64 PolarHBondContact O-N 2.76Å; D64-D67 PolarHBondContact O-N 2.76Å; D64-K68 HydrophobicContact CB-CD 4.13Å; D64-K68 VanDerWaalsContact CG-CE 3.47Å; D64-K68 WeakPolarHBondContact O-CA 3.2Å; D64-K68 WeakPolarHBondContact O-CB 3.46Å; D64-K68 PolarHBondContact O-N 3.16Å; D64-K68 WeakPolarHBondContact OD1-CE 3.49Å; D64-K68 IonicContact OD1-NZ 3.52Å; D64-K68 PolarHBondContact OD1-NZ 3Å; D64-K68 IonicContact OD2-NZ 2.75Å; D64-K68 PolarHBondContact OD2-NZ 3.23Å; D64-I69 PolarHBondContact O-N 3.07Å
65	I	97.2	Very high	96	Very high	57 Å²	57	66.5 Å²	66.5	29%	0.292	34%	0.336	S	S	.	.	I	π-helix	trans	-58.1	-50.4	171.8	-70.3	168.4	0	0	0	109.8	F16 I61 L62 Q63 D67 I69 M70	F16-I65 HydrophobicContact CE1-CG2 4.3Å; F16-I65 HydrophobicContact CZ-CG2 4.36Å; I61-I65 WeakPolarHBondContact O-CG1 3.44Å; I61-I65 PolarHBondContact O-N 2.95Å; L62-I65 HydrophobicContact CD1-CD1 4.46Å; L62-I65 PolarHBondContact O-N 2.91Å; Q63-I65 VanDerWaalsContact C-N 3.3Å; Q63-I65 PolarHBondContact O-N 3.32Å; I65-D67 PolarHBondContact O-N 3.03Å; I65-I69 WeakPolarHBondContact O-CB 3.43Å; I65-I69 PolarHBondContact O-N 2.86Å; I65-I69 VanDerWaalsContact O-N 3.14Å; I65-M70 HydrophobicContact CG2-CG 4.23Å; I65-M70 HydrophobicContact CG2-SD 4.42Å; I65-M70 WeakPolarHBondContact O-CG 3.45Å; I65-M70 PolarHBondContact O-N 3.33Å
66	K	96.2	Very high	96.1	Very high	82 Å²	82	62.7 Å²	62.7	36%	0.357	32%	0.317	S	S	.	.	I	π-helix	trans	-62.2	-43.4	-178.9	-67.5	167.3	-170.4	163.6	0	112.6	F16 L62 Q63 P71	F16-K66 HydrophobicContact CD2-CG 4.47Å; F16-K66 HydrophobicContact CE2-CD 4.47Å; F16-K66 HydrophobicContact CE2-CG 3.78Å; F16-K66 HydrophobicContact CZ-CG 4.31Å; L62-K66 WeakPolarHBondContact O-CG 3.42Å; L62-K66 PolarHBondContact O-N 3.3Å; Q63-K66 WeakPolarHBondContact O-CB 2.95Å; Q63-K66 PolarHBondContact O-N 3.27Å; Q63-K66 VanDerWaalsContact O-N 3.07Å; K66-P71 WeakPolarHBondContact O-CD 3.18Å
67	D	95.8	Very high	96.1	Very high	94 Å²	94	58.6 Å²	58.6	50%	0.503	30%	0.298	S	S	.	.	I	π-helix	trans	-91.1	-32.4	-169.1	-65	-14.9	0	0	0	112.9	Q63 D64 I65 P71	Q63-D67 WeakPolarHBondContact CG-OD2 3.44Å; Q63-D67 PolarHBondContact NE2-OD1 2.86Å; Q63-D67 PolarHBondContact NE2-OD2 3.21Å; Q63-D67 PolarHBondContact O-N 2.78Å; D64-D67 PolarHBondContact O-N 2.76Å; I65-D67 PolarHBondContact O-N 3.03Å; D67-P71 WeakPolarHBondContact O-CG 3.24Å
68	K	96.2	Very high	96.2	Very high	50 Å²	50	54.4 Å²	54.4	22%	0.217	28%	0.276	C	S	.	.	I	π-helix	trans	-108.7	-35.2	-171.1	-52.1	175.5	-177.7	171	0	112.4	L43 L46 I47 D64	L43-K68 HydrophobicContact CD2-CB 4.42Å; L43-K68 WeakPolarHBondContact CD2-O 3.38Å; L46-K68 HydrophobicContact CB-CB 4.41Å; L46-K68 HydrophobicContact CB-CD 4.19Å; L46-K68 HydrophobicContact CB-CG 4.2Å; L46-K68 HydrophobicContact CD1-CB 4.39Å; L46-K68 WeakPolarHBondContact O-CD 3.31Å; L46-K68 WeakPolarHBondContact O-CE 3.5Å; L46-K68 PolarHBondContact O-NZ 3.25Å; I47-K68 HydrophobicContact CG1-CD 4.49Å; D64-K68 HydrophobicContact CB-CD 4.13Å; D64-K68 VanDerWaalsContact CG-CE 3.47Å; D64-K68 WeakPolarHBondContact O-CA 3.2Å; D64-K68 WeakPolarHBondContact O-CB 3.46Å; D64-K68 PolarHBondContact O-N 3.16Å; D64-K68 WeakPolarHBondContact OD1-CE 3.49Å; D64-K68 IonicContact OD1-NZ 3.52Å; D64-K68 PolarHBondContact OD1-NZ 3Å; D64-K68 IonicContact OD2-NZ 2.75Å; D64-K68 PolarHBondContact OD2-NZ 3.23Å
69	I	96.4	Very high	96.2	Very high	62 Å²	62	52.1 Å²	52.1	32%	0.318	27%	0.266	S	S	.	.	I	π-helix	trans	-95.8	-52.4	-173.7	-51.3	-62.7	0	0	0	111.8	L43 I47 D64 I65 P71 G72 L73	L43-I69 HydrophobicContact CD1-CD1 4.48Å; L43-I69 HydrophobicContact CD2-CD1 3.91Å; I47-I69 HydrophobicContact CD1-CD1 4.34Å; D64-I69 PolarHBondContact O-N 3.07Å; I65-I69 WeakPolarHBondContact O-CB 3.43Å; I65-I69 PolarHBondContact O-N 2.86Å; I65-I69 VanDerWaalsContact O-N 3.14Å; I69-P71 VanDerWaalsContact C-CD 3.43Å; I69-P71 VanDerWaalsContact C-N 3.35Å; I69-G72 PolarHBondContact O-N 3.06Å; I69-L73 HydrophobicContact CG2-CD2 4.41Å
70	M	95.5	Very high	96.2	Very high	21 Å²	21	47.3 Å²	47.3	10%	0.103	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-53.4	-42.5	-176.5	-68.1	-58.7	-64.9	0	0	113.5	F16 Y20 I65 G72 L73	F16-M70 HydrophobicContact CZ-CE 4.45Å; F16-M70 HydrophobicContact CZ-CG 4.17Å; F16-M70 HydrophobicContact CZ-SD 4.02Å; Y20-M70 HydrophobicContact CD2-CE 3.27Å; Y20-M70 HydrophobicContact CE2-CE 3.37Å; Y20-M70 HydrophobicContact CG-CE 4.04Å; I65-M70 HydrophobicContact CG2-CG 4.23Å; I65-M70 HydrophobicContact CG2-SD 4.42Å; I65-M70 WeakPolarHBondContact O-CG 3.45Å; I65-M70 PolarHBondContact O-N 3.33Å; M70-G72 PolarHBondContact O-N 3.48Å; M70-G72 VanDerWaalsContact O-N 3.15Å; M70-L73 HydrophobicContact CE-CD1 3.93Å; M70-L73 WeakPolarHBondContact O-CB 3.49Å; M70-L73 PolarHBondContact O-N 3.23Å; M70-L73 VanDerWaalsContact O-N 3.1Å; M70-L73 HydrophobicContact SD-CD1 3.48Å; M70-L73 WeakPolarHBondContact SD-CD1 3.44Å
71	P	93.9	Very high	96.3	Very high	60 Å²	60	42.8 Å²	42.8	39%	0.39	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-64.3	-20.8	-179	-24.9	37.4	0	0	0	114.5	P33 K66 D67 I69	P33-P71 WeakPolarHBondContact CB-O 3.42Å; K66-P71 WeakPolarHBondContact O-CD 3.18Å; D67-P71 WeakPolarHBondContact O-CG 3.24Å; I69-P71 VanDerWaalsContact C-CD 3.43Å; I69-P71 VanDerWaalsContact C-N 3.35Å
72	G	95.2	Very high	96.4	Very high	20 Å²	20	39.1 Å²	39.1	21%	0.206	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-97.4	4.8	177.4	0	0	0	0	0	115.1	Y42 I69 M70	Y42-G72 WeakPolarHBondContact OH-CA 3.33Å; I69-G72 PolarHBondContact O-N 3.06Å; M70-G72 PolarHBondContact O-N 3.48Å; M70-G72 VanDerWaalsContact O-N 3.15Å
73	L	95.3	Very high	96.4	Very high	58 Å²	58	38.8 Å²	38.8	30%	0.304	20%	0.198	S	C	.	.			trans	-75.7	138.9	177.4	-66.8	-176.6	0	0	0	111.3	P33 I69 M70 H75	P33-L73 WeakPolarHBondContact CD-O 3.42Å; I69-L73 HydrophobicContact CG2-CD2 4.41Å; M70-L73 HydrophobicContact CE-CD1 3.93Å; M70-L73 WeakPolarHBondContact O-CB 3.49Å; M70-L73 PolarHBondContact O-N 3.23Å; M70-L73 VanDerWaalsContact O-N 3.1Å; M70-L73 HydrophobicContact SD-CD1 3.48Å; M70-L73 WeakPolarHBondContact SD-CD1 3.44Å; L73-H75 PolarHBondContact O-CD2 3.33Å
74	T	96	Very high	96.4	Very high	43 Å²	43	40.1 Å²	40.1	26%	0.264	20%	0.201	S	C	.	.			trans	-84.4	122.3	151.5	-62	0	0	0	0	107.2	V31 L32 W76 F81 Y451	V31-T74 WeakPolarHBondContact O-CA 3.4Å; L32-T74 HydrophobicContact CD2-CG2 3.97Å; T74-W76 VanDerWaalsContact O-CD1 3.24Å; T74-W76 PolarHBondContact O-N 3.27Å; T74-W76 VanDerWaalsContact O-N 3.11Å; T74-F81 HydrophobicContact CG2-CD2 4.07Å; T74-F81 HydrophobicContact CG2-CE2 3.79Å; T74-Y451 HydrophobicContact CG2-CD1 3.86Å; T74-Y451 HydrophobicContact CG2-CE1 3.92Å
75	H	96.2	Very high	96.4	Very high	5 Å²	5	38 Å²	38	2%	0.023	19%	0.188	C	C	.	.			trans	-86.9	86.4	-173.2	-66.4	-84.1	0	0	0	110.9	Y20 P30 V31 L73 Q77 H78	Y20-H75 AromaticContact CE2-CE1 3.66Å; Y20-H75 AromaticContact CE2-ND1 3.34Å; Y20-H75 VanDerWaalsContact CE2-ND1 3.34Å; Y20-H75 WeakPolarHBondContact CE2-ND1 3.13Å; Y20-H75 AromaticContact CZ-ND1 3.63Å; Y20-H75 PolarHBondContact OH-ND1 3.5Å; P30-H75 PolarHBondContact O-CD2 3.06Å; V31-H75 PolarHBondContact O-N 3.04Å; L73-H75 PolarHBondContact O-CD2 3.33Å; H75-Q77 PolarHBondContact O-N 3.49Å; H75-H78 HydrophobicContact CB-CB 3.86Å; H75-H78 WeakPolarHBondContact O-CB 3.34Å; H75-H78 PolarHBondContact O-N 2.94Å
76	W	96.2	Very high	96.3	Very high	94 Å²	94	35.3 Å²	35.3	36%	0.356	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-17.5	-179.2	-75.1	74.5	0	0	0	115.1	T74 F81 Y84	T74-W76 VanDerWaalsContact O-CD1 3.24Å; T74-W76 PolarHBondContact O-N 3.27Å; T74-W76 VanDerWaalsContact O-N 3.11Å; W76-F81 HydrophobicContact CB-CE2 4.4Å; W76-F81 HydrophobicContact CD2-CE1 4.05Å; W76-F81 AromaticContact CD2-CE2 3.66Å; W76-F81 HydrophobicContact CD2-CE2 3.66Å; W76-F81 AromaticContact CD2-CZ 3.35Å; W76-F81 HydrophobicContact CD2-CZ 3.35Å; W76-F81 AromaticContact CE2-CE2 3.94Å; W76-F81 AromaticContact CE2-CZ 3.77Å; W76-F81 AromaticContact CE3-CE1 3.51Å; W76-F81 HydrophobicContact CE3-CE1 3.51Å; W76-F81 AromaticContact CE3-CE2 3.99Å; W76-F81 HydrophobicContact CE3-CE2 3.99Å; W76-F81 AromaticContact CE3-CZ 3.18Å; W76-F81 HydrophobicContact CE3-CZ 3.18Å; W76-F81 HydrophobicContact CG-CD2 4.44Å; W76-F81 AromaticContact CG-CE2 3.86Å; W76-F81 HydrophobicContact CG-CE2 3.86Å; W76-F81 AromaticContact CG-CZ 3.99Å; W76-F81 HydrophobicContact CG-CZ 3.99Å; W76-F81 AromaticContact CH2-CZ 3.9Å; W76-F81 HydrophobicContact CH2-CZ 3.9Å; W76-F81 HydrophobicContact CZ2-CE2 4.49Å; W76-F81 HydrophobicContact CZ2-CZ 4.04Å; W76-F81 AromaticContact CZ3-CE1 3.86Å; W76-F81 HydrophobicContact CZ3-CE1 3.86Å; W76-F81 AromaticContact CZ3-CZ 3.48Å; W76-F81 HydrophobicContact CZ3-CZ 3.48Å; W76-F81 VanDerWaalsContact CZ3-CZ 3.48Å; W76-Y84 AromaticContact CH2-CD2 3.65Å; W76-Y84 HydrophobicContact CH2-CD2 3.65Å; W76-Y84 HydrophobicContact CH2-CE2 4.2Å; W76-Y84 HydrophobicContact CH2-CG 4.36Å; W76-Y84 HydrophobicContact CZ2-CD2 4.25Å; W76-Y84 HydrophobicContact CZ2-CE2 4.39Å; W76-Y84 HydrophobicContact CZ3-CD2 4.25Å
77	Q	95.2	Very high	96.3	Very high	21 Å²	21	33.1 Å²	33.1	10%	0.098	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	10.2	178.7	-52.9	-54.6	-59.1	0	0	112.5	H75 T87 T89 I492	H75-Q77 PolarHBondContact O-N 3.49Å; Q77-T87 PolarHBondContact NE2-O 3.03Å; Q77-T89 HydrophobicContact CG-CG2 3.69Å; Q77-I492 VanDerWaalsContact O-CD1 3.25Å; Q77-I492 WeakPolarHBondContact O-CD1 3.27Å
78	H	96.5	Very high	96.2	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.019	14%	0.144	C	C	.	.	S	Bend	trans	-78.5	137.9	174.9	-168.8	-85.7	0	0	0	109.8	A24 R27 F29 V31 H75 D80 F81 I492	A24-H78 PolarHBondContact O-CD2 3.49Å; R27-H78 WeakPolarHBondContact CA-NE2 3.2Å; F29-H78 PolarHBondContact O-CD2 3.15Å; F29-H78 PolarHBondContact O-NE2 3.14Å; F29-H78 VanDerWaalsContact O-NE2 3.14Å; V31-H78 HydrophobicContact CB-CB 4.23Å; V31-H78 HydrophobicContact CG2-CB 4.09Å; H75-H78 HydrophobicContact CB-CB 3.86Å; H75-H78 WeakPolarHBondContact O-CB 3.34Å; H75-H78 PolarHBondContact O-N 2.94Å; H78-D80 IonicContact CE1-OD2 2.9Å; H78-D80 PolarHBondContact CE1-OD2 2.98Å; H78-D80 WeakPolarHBondContact ND1-CB 3.39Å; H78-D80 PolarHBondContact ND1-N 3.2Å; H78-D80 VanDerWaalsContact ND1-N 3.17Å; H78-D80 IonicContact ND1-OD2 3.14Å; H78-D80 PolarHBondContact O-N 3.13Å; H78-F81 WeakPolarHBondContact O-CB 3.49Å; H78-F81 PolarHBondContact O-N 3.13Å; H78-I492 WeakPolarHBondContact O-CD1 3.39Å
79	P	96.6	Very high	96.2	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-22.9	-176.3	23.9	-35.1	0	0	0	113.6	A24 R27 H82 D499	A24-P79 VanDerWaalsContact O-CD 3.28Å; A24-P79 WeakPolarHBondContact O-CD 3.32Å; R27-P79 HydrophobicContact CG-CG 4.22Å; P79-H82 PolarHBondContact O-CE1 2.7Å; P79-H82 PolarHBondContact O-NE2 3.16Å; P79-D499 HydrophobicContact CB-CB 4.22Å
80	D	97.3	Very high	96.2	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.011	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	9.9	176.8	-58.6	-35.7	0	0	0	114	R27 H78 H82 E449 L450 Y451 Y502	R27-D80 WeakPolarHBondContact CD-OD2 3.1Å; R27-D80 IonicContact CZ-OD1 3.84Å; R27-D80 IonicContact CZ-OD2 3.36Å; R27-D80 IonicContact NE-OD1 3.5Å; R27-D80 IonicContact NE-OD2 3.82Å; R27-D80 PolarHBondContact NE-OD2 3.24Å; R27-D80 IonicContact NH2-OD1 3.23Å; R27-D80 PolarHBondContact NH2-OD1 2.92Å; R27-D80 IonicContact NH2-OD2 2.74Å; R27-D80 PolarHBondContact NH2-OD2 3.03Å; H78-D80 IonicContact CE1-OD2 2.9Å; H78-D80 PolarHBondContact CE1-OD2 2.98Å; H78-D80 WeakPolarHBondContact ND1-CB 3.39Å; H78-D80 PolarHBondContact ND1-N 3.2Å; H78-D80 VanDerWaalsContact ND1-N 3.17Å; H78-D80 IonicContact ND1-OD2 3.14Å; H78-D80 PolarHBondContact O-N 3.13Å; D80-H82 PolarHBondContact O-N 2.93Å; D80-E449 VanDerWaalsContact CB-O 3.3Å; D80-E449 WeakPolarHBondContact CB-O 3.41Å; D80-L450 HydrophobicContact CB-CD2 3.5Å; D80-L450 VanDerWaalsContact CB-CD2 3.5Å; D80-Y451 PolarHBondContact O-N 2.84Å; D80-Y502 WeakPolarHBondContact OD1-CD1 3.44Å; D80-Y502 WeakPolarHBondContact OD2-CE1 3.38Å
81	F	97.8	Very high	96.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-81.5	109.8	167.9	-175	-81.8	0	0	0	109.3	V31 T74 W76 H78 A83 Y84 Y451 I492	V31-F81 HydrophobicContact CG2-CB 3.88Å; V31-F81 HydrophobicContact CG2-CD2 4.18Å; T74-F81 HydrophobicContact CG2-CD2 4.07Å; T74-F81 HydrophobicContact CG2-CE2 3.79Å; W76-F81 HydrophobicContact CB-CE2 4.4Å; W76-F81 HydrophobicContact CD2-CE1 4.05Å; W76-F81 AromaticContact CD2-CE2 3.66Å; W76-F81 HydrophobicContact CD2-CE2 3.66Å; W76-F81 AromaticContact CD2-CZ 3.35Å; W76-F81 HydrophobicContact CD2-CZ 3.35Å; W76-F81 AromaticContact CE2-CE2 3.94Å; W76-F81 AromaticContact CE2-CZ 3.77Å; W76-F81 AromaticContact CE3-CE1 3.51Å; W76-F81 HydrophobicContact CE3-CE1 3.51Å; W76-F81 AromaticContact CE3-CE2 3.99Å; W76-F81 HydrophobicContact CE3-CE2 3.99Å; W76-F81 AromaticContact CE3-CZ 3.18Å; W76-F81 HydrophobicContact CE3-CZ 3.18Å; W76-F81 HydrophobicContact CG-CD2 4.44Å; W76-F81 AromaticContact CG-CE2 3.86Å; W76-F81 HydrophobicContact CG-CE2 3.86Å; W76-F81 AromaticContact CG-CZ 3.99Å; W76-F81 HydrophobicContact CG-CZ 3.99Å; W76-F81 AromaticContact CH2-CZ 3.9Å; W76-F81 HydrophobicContact CH2-CZ 3.9Å; W76-F81 HydrophobicContact CZ2-CE2 4.49Å; W76-F81 HydrophobicContact CZ2-CZ 4.04Å; W76-F81 AromaticContact CZ3-CE1 3.86Å; W76-F81 HydrophobicContact CZ3-CE1 3.86Å; W76-F81 AromaticContact CZ3-CZ 3.48Å; W76-F81 HydrophobicContact CZ3-CZ 3.48Å; W76-F81 VanDerWaalsContact CZ3-CZ 3.48Å; H78-F81 WeakPolarHBondContact O-CB 3.49Å; H78-F81 PolarHBondContact O-N 3.13Å; F81-A83 HydrophobicContact CE1-CB 4.18Å; F81-A83 WeakPolarHBondContact CE1-O 3.45Å; F81-A83 HydrophobicContact CE2-CB 4.23Å; F81-A83 HydrophobicContact CZ-CB 3.87Å; F81-Y84 HydrophobicContact CZ-CD2 4.18Å; F81-Y451 AromaticContact CD2-CD1 3.77Å; F81-Y451 HydrophobicContact CD2-CD1 3.77Å; F81-Y451 AromaticContact CE2-CD1 3.51Å; F81-Y451 HydrophobicContact CE2-CD1 3.51Å; F81-Y451 AromaticContact CE2-CE1 3.88Å; F81-Y451 HydrophobicContact CE2-CE1 3.88Å; F81-Y451 HydrophobicContact CZ-CD1 4.33Å; F81-Y451 HydrophobicContact CZ-CE1 4.49Å; F81-I492 HydrophobicContact CB-CG2 4.48Å; F81-I492 HydrophobicContact CD1-CG2 3.96Å; F81-I492 WeakPolarHBondContact O-CG2 3.47Å
82	H	98.1	Very high	96.4	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.12	C	C	.	.			trans	-124.8	9.7	-179.9	-57	-56.4	0	0	0	113.2	P79 D80 Y451 L452 F489 V490	P79-H82 PolarHBondContact O-CE1 2.7Å; P79-H82 PolarHBondContact O-NE2 3.16Å; D80-H82 PolarHBondContact O-N 2.93Å; H82-Y451 CarbonylContact C-O 3.5Å; H82-Y451 VanDerWaalsContact C-O 3.25Å; H82-Y451 VanDerWaalsContact CA-O 3.3Å; H82-Y451 WeakPolarHBondContact CA-O 3.47Å; H82-Y451 PolarHBondContact N-O 3.33Å; H82-L452 HydrophobicContact CB-CG 4.28Å; H82-F489 HydrophobicContact CB-CD2 3.97Å; H82-F489 HydrophobicContact CB-CE2 4.25Å; H82-F489 HydrophobicContact CB-CG 4.37Å; H82-F489 AromaticContact CD2-CD2 3.79Å; H82-F489 AromaticContact CD2-CE2 3.27Å; H82-F489 WeakPolarHBondContact CD2-CE2 3.34Å; H82-F489 AromaticContact CD2-CZ 3.93Å; H82-F489 AromaticContact CE1-CE2 3.54Å; H82-F489 AromaticContact CE1-CZ 3.34Å; H82-F489 WeakPolarHBondContact CE1-CZ 3.48Å; H82-F489 AromaticContact CG-CD2 3.68Å; H82-F489 AromaticContact CG-CE2 3.45Å; H82-F489 VanDerWaalsContact CG-CE2 3.45Å; H82-F489 AromaticContact CG-CZ 3.9Å; H82-F489 AromaticContact ND1-CE2 3.61Å; H82-F489 AromaticContact ND1-CZ 3.54Å; H82-F489 AromaticContact NE2-CE2 3.31Å; H82-F489 VanDerWaalsContact NE2-CE2 3.31Å; H82-F489 WeakPolarHBondContact NE2-CE2 3.48Å; H82-F489 AromaticContact NE2-CZ 3.56Å; H82-V490 VanDerWaalsContact CA-O 3.32Å; H82-V490 WeakPolarHBondContact CA-O 3.44Å; H82-V490 PolarHBondContact ND1-O 3.46Å
83	A	97.3	Very high	96.6	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	-75.8	151.8	-179.8	0	0	0	0	0	111.9	F81 Y85 Y451 V453	F81-A83 HydrophobicContact CE1-CB 4.18Å; F81-A83 WeakPolarHBondContact CE1-O 3.45Å; F81-A83 HydrophobicContact CE2-CB 4.23Å; F81-A83 HydrophobicContact CZ-CB 3.87Å; A83-Y85 PolarHBondContact O-N 2.66Å; A83-Y451 HydrophobicContact CB-CD1 3.48Å; A83-Y451 VanDerWaalsContact CB-CD1 3.48Å; A83-Y451 HydrophobicContact CB-CD2 4.14Å; A83-Y451 HydrophobicContact CB-CE1 3.55Å; A83-Y451 HydrophobicContact CB-CE2 4.18Å; A83-Y451 HydrophobicContact CB-CG 3.8Å; A83-Y451 PolarHBondContact N-O 3.47Å; A83-V453 HydrophobicContact CB-CG1 3.73Å
84	Y	97.4	Very high	96.7	Very high	110 Å²	110	23.3 Å²	23.3	43%	0.431	11%	0.106	S	C	.	.	S	Bend	trans	55.7	-133.4	174.3	-48.9	-72.4	0	0	0	113.4	W76 F81 Y451 V453 R488	W76-Y84 AromaticContact CH2-CD2 3.65Å; W76-Y84 HydrophobicContact CH2-CD2 3.65Å; W76-Y84 HydrophobicContact CH2-CE2 4.2Å; W76-Y84 HydrophobicContact CH2-CG 4.36Å; W76-Y84 HydrophobicContact CZ2-CD2 4.25Å; W76-Y84 HydrophobicContact CZ2-CE2 4.39Å; W76-Y84 HydrophobicContact CZ3-CD2 4.25Å; F81-Y84 HydrophobicContact CZ-CD2 4.18Å; Y84-Y451 HydrophobicContact CE2-CE1 4.11Å; Y84-Y451 PolarHBondContact OH-OH 2.73Å; Y84-V453 HydrophobicContact CD1-CG1 4.43Å; Y84-V453 HydrophobicContact CE1-CG1 4.05Å; Y84-V453 HydrophobicContact CE2-CG1 4.22Å; Y84-R488 PolarHBondContact O-NH1 2.85Å; Y84-R488 PolarHBondContact O-NH2 3.29Å
85	Y	97.3	Very high	96.8	Very high	14 Å²	14	25.2 Å²	25.2	6%	0.055	11%	0.114	C	C	.	.	S	Bend	trans	-114.2	153.6	161.8	-80.5	-47	0	0	0	108.3	A83 T265 C269 Y294 L425 V490	A83-Y85 PolarHBondContact O-N 2.66Å; Y85-T265 PolarHBondContact OH-O 2.91Å; Y85-C269 WeakPolarHBondContact OH-CB 3.35Å; Y85-Y294 AromaticContact CD1-CD1 3.59Å; Y85-Y294 HydrophobicContact CD1-CD1 3.59Å; Y85-Y294 AromaticContact CD1-CD2 3.47Å; Y85-Y294 HydrophobicContact CD1-CD2 3.47Å; Y85-Y294 VanDerWaalsContact CD1-CD2 3.47Å; Y85-Y294 AromaticContact CD1-CE1 3.54Å; Y85-Y294 HydrophobicContact CD1-CE1 3.54Å; Y85-Y294 AromaticContact CD1-CE2 3.46Å; Y85-Y294 HydrophobicContact CD1-CE2 3.46Å; Y85-Y294 VanDerWaalsContact CD1-CE2 3.46Å; Y85-Y294 AromaticContact CD1-CG 3.52Å; Y85-Y294 HydrophobicContact CD1-CG 3.52Å; Y85-Y294 AromaticContact CD1-CZ 3.49Å; Y85-Y294 VanDerWaalsContact CD1-CZ 3.49Å; Y85-Y294 HydrophobicContact CD2-CD1 4.27Å; Y85-Y294 HydrophobicContact CD2-CD2 4.25Å; Y85-Y294 AromaticContact CD2-CG 3.83Å; Y85-Y294 HydrophobicContact CD2-CG 3.83Å; Y85-Y294 AromaticContact CE1-CD1 3.11Å; Y85-Y294 HydrophobicContact CE1-CD1 3.11Å; Y85-Y294 AromaticContact CE1-CD2 3.95Å; Y85-Y294 HydrophobicContact CE1-CD2 3.95Å; Y85-Y294 AromaticContact CE1-CE1 3.04Å; Y85-Y294 HydrophobicContact CE1-CE1 3.04Å; Y85-Y294 AromaticContact CE1-CE2 3.93Å; Y85-Y294 HydrophobicContact CE1-CE2 3.93Å; Y85-Y294 AromaticContact CE1-CG 3.55Å; Y85-Y294 HydrophobicContact CE1-CG 3.55Å; Y85-Y294 AromaticContact CE1-CZ 3.5Å; Y85-Y294 VanDerWaalsContact CE1-CZ 3.5Å; Y85-Y294 AromaticContact CE2-CD1 3.8Å; Y85-Y294 HydrophobicContact CE2-CD1 3.8Å; Y85-Y294 AromaticContact CE2-CG 3.79Å; Y85-Y294 HydrophobicContact CE2-CG 3.79Å; Y85-Y294 HydrophobicContact CG-CD1 4.16Å; Y85-Y294 AromaticContact CG-CD2 3.66Å; Y85-Y294 HydrophobicContact CG-CD2 3.66Å; Y85-Y294 HydrophobicContact CG-CE2 4.08Å; Y85-Y294 AromaticContact CG-CG 3.68Å; Y85-Y294 HydrophobicContact CG-CG 3.68Å; Y85-Y294 AromaticContact CZ-CD1 3.19Å; Y85-Y294 AromaticContact CZ-CE1 3.62Å; Y85-Y294 AromaticContact CZ-CG 3.65Å; Y85-Y294 WeakPolarHBondContact OH-CD1 3.09Å; Y85-L425 HydrophobicContact CE1-CB 4.37Å; Y85-L425 HydrophobicContact CE1-CD2 4.25Å; Y85-V490 HydrophobicContact CD1-CG2 4.17Å
86	P	96.4	Very high	96.9	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.113	C	C	.	.			trans	-60.8	147.9	-178.8	26.6	-35	0	0	0	110.6	Y294 K323 L324 I492	P86-Y294 HydrophobicContact CG-CE2 3.98Å; P86-K323 VanDerWaalsContact O-CA 3.29Å; P86-K323 WeakPolarHBondContact O-CA 3.33Å; P86-L324 HydrophobicContact CG-CD2 3.6Å; P86-L324 HydrophobicContact CG-CG 4.27Å; P86-I492 HydrophobicContact CB-CB 4.45Å; P86-I492 HydrophobicContact CB-CG2 4.01Å
87	T	95.7	Very high	96.9	Very high	37 Å²	37	21.6 Å²	21.6	23%	0.227	10%	0.102	C	C	.	.			trans	-106.6	117.7	163.4	-62.2	0	0	0	0	107.2	Q77 H322 F329	Q77-T87 PolarHBondContact NE2-O 3.03Å; T87-H322 CarbonylContact C-O 3.6Å; T87-H322 WeakPolarHBondContact CA-O 3.32Å; T87-F329 HydrophobicContact CG2-CB 4.17Å
88	A	94.3	Very high	97	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.118	C	C	.	.			trans	-72.8	151.5	-177.4	0	0	0	0	0	111.6	H322 K323 V327 N328 H493	A88-H322 PolarHBondContact N-O 3.48Å; A88-K323 WeakPolarHBondContact CB-O 3.38Å; A88-K323 PolarHBondContact N-O 3.16Å; A88-V327 VanDerWaalsContact O-O 3.07Å; A88-N328 VanDerWaalsContact O-CA 3.3Å; A88-N328 WeakPolarHBondContact O-CA 3.41Å; A88-H493 VanDerWaalsContact CB-CE1 3.44Å; A88-H493 WeakPolarHBondContact CB-CE1 3.38Å
89	T	94.9	Very high	97	Very high	21 Å²	21	27.7 Å²	27.7	13%	0.129	14%	0.135	C	C	.	.			trans	-156.6	145.9	161.3	-170.5	0	0	0	0	111.2	R21 Q77	R21-T89 PolarHBondContact NH2-O 3.19Å; Q77-T89 HydrophobicContact CG-CG2 3.69Å
90	S	96.7	Very high	97	Very high	1 Å²	1	28 Å²	28	1%	0.007	14%	0.137	C	C	.	.			trans	-140.6	157.1	179.4	61.5	0	0	0	0	110.8	A92 S93 I94 L326 V382 Y386	S90-A92 PolarHBondContact O-N 2.97Å; S90-S93 PolarHBondContact O-N 2.94Å; S90-S93 VanDerWaalsContact O-N 3.16Å; S90-S93 VanDerWaalsContact OG-CB 3.31Å; S90-S93 WeakPolarHBondContact OG-CB 3.3Å; S90-S93 PolarHBondContact OG-N 2.92Å; S90-I94 WeakPolarHBondContact O-CG1 3.12Å; S90-I94 PolarHBondContact O-N 3.28Å; S90-L326 VanDerWaalsContact CB-O 3.29Å; S90-L326 WeakPolarHBondContact CB-O 3.47Å; S90-L326 PolarHBondContact N-O 3.25Å; S90-L326 PolarHBondContact OG-O 3.47Å; S90-V382 WeakPolarHBondContact OG-CG2 3.47Å; S90-Y386 VanDerWaalsContact CB-OH 3.27Å; S90-Y386 WeakPolarHBondContact CB-OH 3.42Å
91	Y	96.8	Very high	96.9	Very high	89 Å²	89	32.1 Å²	32.1	35%	0.349	17%	0.166	S	C	.	.	H	α-helix	trans	-59.5	-36.9	173.4	-66	-60.1	0	0	0	111.6	V18 S93 I94 L95	V18-Y91 HydrophobicContact CG2-CE1 4.29Å; Y91-S93 PolarHBondContact O-N 3.08Å; Y91-I94 HydrophobicContact CD1-CD1 4.4Å; Y91-I94 PolarHBondContact O-N 2.82Å; Y91-L95 WeakPolarHBondContact O-CB 3.42Å; Y91-L95 VanDerWaalsContact O-CG 3.31Å; Y91-L95 WeakPolarHBondContact O-CG 3.34Å; Y91-L95 PolarHBondContact O-N 3.01Å
92	A	98.1	Very high	96.8	Very high	5 Å²	5	35.9 Å²	35.9	4%	0.041	19%	0.192	C	C	.	.	H	α-helix	trans	-58.2	-46.3	173.5	0	0	0	0	0	112.2	S90 L95 G96 F381 V382 L385 Y386	S90-A92 PolarHBondContact O-N 2.97Å; A92-L95 PolarHBondContact O-N 2.98Å; A92-G96 PolarHBondContact O-N 3.44Å; A92-F381 WeakPolarHBondContact O-CB 3.35Å; A92-V382 HydrophobicContact CB-CG2 4.04Å; A92-L385 HydrophobicContact CB-CB 4.05Å; A92-L385 HydrophobicContact CB-CD1 3.59Å; A92-L385 HydrophobicContact CB-CG 4.43Å; A92-Y386 HydrophobicContact CB-CD2 4.13Å; A92-Y386 HydrophobicContact CB-CE2 3.68Å
93	S	98.3	Very high	96.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-66.7	-40.2	178.9	-165.8	0	0	0	0	112.2	S90 Y91 G96 D97 V327 N328	S90-S93 PolarHBondContact O-N 2.94Å; S90-S93 VanDerWaalsContact O-N 3.16Å; S90-S93 VanDerWaalsContact OG-CB 3.31Å; S90-S93 WeakPolarHBondContact OG-CB 3.3Å; S90-S93 PolarHBondContact OG-N 2.92Å; Y91-S93 PolarHBondContact O-N 3.08Å; S93-G96 PolarHBondContact O-N 3.04Å; S93-D97 PolarHBondContact O-N 3.3Å; S93-V327 WeakPolarHBondContact OG-CA 3.4Å; S93-N328 WeakPolarHBondContact CB-OD1 3.21Å; S93-N328 PolarHBondContact O-OD1 3.41Å; S93-N328 PolarHBondContact OG-N 2.77Å; S93-N328 PolarHBondContact OG-OD1 3.15Å
94	I	97.5	Very high	96.6	Very high	42 Å²	42	43.3 Å²	43.3	22%	0.215	24%	0.241	C	C	.	.	H	α-helix	trans	-61.6	-45.3	176.1	-67.4	165.2	0	0	0	110.6	I17 S90 Y91 G96 D97 L98	I17-I94 HydrophobicContact CG2-CD1 4.5Å; S90-I94 WeakPolarHBondContact O-CG1 3.12Å; S90-I94 PolarHBondContact O-N 3.28Å; Y91-I94 HydrophobicContact CD1-CD1 4.4Å; Y91-I94 PolarHBondContact O-N 2.82Å; I94-G96 VanDerWaalsContact C-N 3.33Å; I94-G96 PolarHBondContact O-N 3.06Å; I94-D97 PolarHBondContact O-N 3.36Å; I94-L98 WeakPolarHBondContact O-CB 3.11Å; I94-L98 PolarHBondContact O-N 2.8Å
95	L	97.9	Very high	96.5	Very high	83 Å²	83	39.2 Å²	39.2	44%	0.435	23%	0.229	S	C	.	.	H	α-helix	trans	-62.7	-40.6	176.5	-71.4	173.2	0	0	0	111.9	Y91 A92 L98 L99 F381	Y91-L95 WeakPolarHBondContact O-CB 3.42Å; Y91-L95 VanDerWaalsContact O-CG 3.31Å; Y91-L95 WeakPolarHBondContact O-CG 3.34Å; Y91-L95 PolarHBondContact O-N 3.01Å; A92-L95 PolarHBondContact O-N 2.98Å; L95-L98 PolarHBondContact O-N 2.78Å; L95-L99 PolarHBondContact O-N 3.45Å; L95-F381 HydrophobicContact CB-CD1 4.03Å; L95-F381 HydrophobicContact CB-CE1 4.08Å
96	G	97.8	Very high	96.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-64.5	-41.4	175.8	0	0	0	0	0	112.9	A92 S93 I94 L99 C100	A92-G96 PolarHBondContact O-N 3.44Å; S93-G96 PolarHBondContact O-N 3.04Å; I94-G96 VanDerWaalsContact C-N 3.33Å; I94-G96 PolarHBondContact O-N 3.06Å; G96-L99 PolarHBondContact O-N 3.04Å; G96-C100 WeakPolarHBondContact O-CB 3.39Å; G96-C100 PolarHBondContact O-N 3.4Å
97	D	96.9	Very high	96.2	Very high	24 Å²	24	42.6 Å²	42.6	13%	0.128	25%	0.247	C	C	.	.	H	α-helix	trans	-70.9	-35.7	175.6	-105.4	1.2	0	0	0	111.8	S93 I94 L99 C100 S101 N328 R373 K378	S93-D97 PolarHBondContact O-N 3.3Å; I94-D97 PolarHBondContact O-N 3.36Å; D97-L99 PolarHBondContact O-N 3.39Å; D97-C100 WeakPolarHBondContact O-CB 3.44Å; D97-C100 PolarHBondContact O-N 3.24Å; D97-S101 WeakPolarHBondContact O-CB 3.42Å; D97-S101 PolarHBondContact O-N 3.2Å; D97-S101 PolarHBondContact O-OG 2.86Å; D97-N328 PolarHBondContact OD2-ND2 3.44Å; D97-R373 IonicContact OD1-CZ 3.49Å; D97-R373 IonicContact OD1-NH1 2.7Å; D97-R373 PolarHBondContact OD1-NH1 2.96Å; D97-R373 IonicContact OD1-NH2 3.92Å; D97-R373 PolarHBondContact OD1-NH2 3.29Å; D97-R373 IonicContact OD2-CZ 2.69Å; D97-R373 IonicContact OD2-NH1 2.8Å; D97-R373 IonicContact OD2-NH2 2.76Å; D97-R373 PolarHBondContact OD2-NH2 3.05Å; D97-K378 WeakPolarHBondContact OD1-CD 3.17Å; D97-K378 IonicContact OD1-NZ 2.82Å; D97-K378 IonicContact OD2-NZ 3.5Å; D97-K378 PolarHBondContact OD2-NZ 3.46Å
98	L	96.7	Very high	95.9	Very high	80 Å²	80	43.5 Å²	43.5	42%	0.419	25%	0.248	S	C	.	.	H	α-helix	trans	-58.3	-48.7	172.9	179.8	63.4	0	0	0	110.7	I94 L95 S101 S102	I94-L98 WeakPolarHBondContact O-CB 3.11Å; I94-L98 PolarHBondContact O-N 2.8Å; L95-L98 PolarHBondContact O-N 2.78Å; L98-S101 PolarHBondContact O-N 3Å; L98-S102 PolarHBondContact O-N 3.33Å; L98-S102 PolarHBondContact O-OG 3.04Å; L98-S102 VanDerWaalsContact O-OG 3.1Å
99	L	97	Very high	95.6	Very high	72 Å²	72	43.7 Å²	43.7	38%	0.377	25%	0.249	S	C	.	.	H	α-helix	trans	-65.7	-39.4	176.5	-177	59.5	0	0	0	112	L95 G96 D97 S101 S102 I103 L377 F381	L95-L99 PolarHBondContact O-N 3.45Å; G96-L99 PolarHBondContact O-N 3.04Å; D97-L99 PolarHBondContact O-N 3.39Å; L99-S101 VanDerWaalsContact C-N 3.29Å; L99-S101 PolarHBondContact O-N 3.48Å; L99-S102 PolarHBondContact O-N 3.5Å; L99-I103 HydrophobicContact CD1-CD1 4.28Å; L99-I103 HydrophobicContact CD1-CG1 4.33Å; L99-I103 HydrophobicContact CG-CD1 4.07Å; L99-I103 WeakPolarHBondContact O-CG1 3.28Å; L99-I103 PolarHBondContact O-N 2.85Å; L99-L377 HydrophobicContact CB-CD2 4Å; L99-L377 HydrophobicContact CD2-CD2 3.95Å; L99-L377 HydrophobicContact CG-CD2 3.82Å; L99-F381 HydrophobicContact CD2-CE2 4.27Å; L99-F381 HydrophobicContact CD2-CZ 3.83Å
100	C	96.9	Very high	95.5	Very high	9 Å²	9	46 Å²	46	6%	0.061	26%	0.255	C	S	.	.	H	α-helix	trans	-57.2	-44.6	174.2	178.5	0	0	0	0	111	G96 D97 I103 A104 L377	G96-C100 WeakPolarHBondContact O-CB 3.39Å; G96-C100 PolarHBondContact O-N 3.4Å; D97-C100 WeakPolarHBondContact O-CB 3.44Å; D97-C100 PolarHBondContact O-N 3.24Å; C100-I103 PolarHBondContact O-N 2.68Å; C100-A104 PolarHBondContact O-N 2.87Å; C100-L377 HydrophobicContact CB-CD2 4.18Å
101	S	95.9	Very high	95.3	Very high	88 Å²	88	50.3 Å²	50.3	62%	0.615	28%	0.278	S	S	*	.	H	α-helix	trans	-67.4	-33.5	177.3	-71.8	0	0	0	0	112.7	D97 L98 L99	D97-S101 WeakPolarHBondContact O-CB 3.42Å; D97-S101 PolarHBondContact O-N 3.2Å; D97-S101 PolarHBondContact O-OG 2.86Å; L98-S101 PolarHBondContact O-N 3Å; L99-S101 VanDerWaalsContact C-N 3.29Å; L99-S101 PolarHBondContact O-N 3.48Å
102	S	95.4	Very high	95.1	Very high	79 Å²	79	48 Å²	48	55%	0.552	27%	0.274	S	S	*	.	H	α-helix	trans	-70.1	-39.4	174.8	-57.9	0	0	0	0	113	L98 L99	L98-S102 PolarHBondContact O-N 3.33Å; L98-S102 PolarHBondContact O-OG 3.04Å; L98-S102 VanDerWaalsContact O-OG 3.1Å; L99-S102 PolarHBondContact O-N 3.5Å
103	I	96.4	Very high	94.9	Very high	81 Å²	81	48.6 Å²	48.6	42%	0.415	28%	0.278	S	S	.	.	H	α-helix	trans	-68.9	-37.6	176.6	-66.4	169.6	0	0	0	110.5	L99 C100 C105 F374 L377	L99-I103 HydrophobicContact CD1-CD1 4.28Å; L99-I103 HydrophobicContact CD1-CG1 4.33Å; L99-I103 HydrophobicContact CG-CD1 4.07Å; L99-I103 WeakPolarHBondContact O-CG1 3.28Å; L99-I103 PolarHBondContact O-N 2.85Å; C100-I103 PolarHBondContact O-N 2.68Å; I103-C105 HydrophobicContact CG2-CB 3.82Å; I103-C105 PolarHBondContact O-N 2.83Å; I103-F374 HydrophobicContact CD1-CD2 4.43Å; I103-L377 HydrophobicContact CD1-CD2 4.23Å
104	A	94.5	Very high	94.7	Very high	74 Å²	74	50.4 Å²	50.4	61%	0.612	29%	0.29	S	S	*	.			trans	51.2	28.7	176.5	0	0	0	0	0	114.7	C100	C100-A104 PolarHBondContact O-N 2.87Å
105	C	95.5	Very high	94.7	Very high	24 Å²	24	51.9 Å²	51.9	16%	0.162	30%	0.302	C	S	.	.			trans	-77.2	156.4	178.8	66.8	0	0	0	0	111.9	I103 C113	I103-C105 HydrophobicContact CG2-CB 3.82Å; I103-C105 PolarHBondContact O-N 2.83Å; C105-C113 HydrophobicContact CB-CB 4.03Å; C105-C113 PolarHBondContact SG-SG 3.47Å
106	I	94.2	Very high	94.6	Very high	84 Å²	84	48 Å²	48	43%	0.431	28%	0.282	S	S	.	.			trans	-116.2	112.5	172	-49.7	-63.3	0	0	0	108.6	F108 S112 R372	I106-F108 HydrophobicContact CB-CD1 4.22Å; I106-F108 HydrophobicContact CG2-CD1 3.64Å; I106-F108 HydrophobicContact CG2-CE1 4.38Å; I106-F108 PolarHBondContact O-N 3.02Å; I106-S112 WeakPolarHBondContact O-CB 3.38Å; I106-S112 PolarHBondContact O-OG 3.22Å; I106-R372 CarbonylContact C-O 3.56Å; I106-R372 WeakPolarHBondContact CA-O 3.48Å
107	G	92.2	Very high	94.4	Very high	1 Å²	1	48 Å²	48	1%	0.01	28%	0.282	C	S	.	.			trans	-94	59.5	-178.7	0	0	0	0	0	113	R372	G107-R372 PolarHBondContact N-O 3.27Å
108	F	89.6	Confident	94.3	Very high	56 Å²	56	50.7 Å²	50.7	25%	0.246	29%	0.294	C	S	.	.	S	Bend	trans	-80	-33.5	176.7	58.2	-108	0	0	0	112.2	I106 S112 L353 R364 L370	I106-F108 HydrophobicContact CB-CD1 4.22Å; I106-F108 HydrophobicContact CG2-CD1 3.64Å; I106-F108 HydrophobicContact CG2-CE1 4.38Å; I106-F108 PolarHBondContact O-N 3.02Å; F108-S112 PolarHBondContact N-OG 3.42Å; F108-S112 VanDerWaalsContact N-OG 3.17Å; F108-L353 HydrophobicContact CD2-CD2 4.01Å; F108-L353 HydrophobicContact CE2-CD2 3.69Å; F108-L353 HydrophobicContact CZ-CD2 4.3Å; F108-R364 HydrophobicContact CB-CB 4.24Å; F108-R364 WeakPolarHBondContact O-CB 3.3Å; F108-R364 WeakPolarHBondContact O-CG 3.46Å; F108-R364 PolarHBondContact O-N 3.19Å; F108-R364 VanDerWaalsContact O-N 3.16Å; F108-L370 HydrophobicContact CB-CD1 3.81Å; F108-L370 HydrophobicContact CB-CG 4.17Å; F108-L370 WeakPolarHBondContact CB-O 3.38Å; F108-L370 HydrophobicContact CG-CD1 4.27Å
109	S	88.7	Confident	94.4	Very high	4 Å²	4	48.1 Å²	48.1	3%	0.028	28%	0.281	C	S	.	.	S	Bend	trans	-128.8	163.8	173	63.5	0	0	0	0	109.3	I111 S112	S109-I111 VanDerWaalsContact C-N 3.3Å; S109-I111 PolarHBondContact O-N 2.79Å; S109-I111 WeakPolarHBondContact OG-CG2 3.42Å; S109-S112 PolarHBondContact N-OG 2.79Å; S109-S112 PolarHBondContact O-N 3Å; S109-S112 PolarHBondContact O-OG 2.92Å; S109-S112 PolarHBondContact OG-N 3.02Å
110	W	92.5	Very high	94.4	Very high	69 Å²	69	44.8 Å²	44.8	26%	0.261	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-47.4	176.8	178.9	90.9	0	0	0	111.1	S112 C113 P114 E118 M360	W110-S112 PolarHBondContact O-N 3.46Å; W110-C113 CarbonylContact O-C 3.17Å; W110-C113 PolarHBondContact O-N 3.38Å; W110-P114 HydrophobicContact CD2-CB 4.12Å; W110-P114 HydrophobicContact CD2-CG 4.15Å; W110-P114 HydrophobicContact CE3-CG 4.18Å; W110-P114 HydrophobicContact CH2-CB 4.25Å; W110-P114 HydrophobicContact CH2-CG 4.03Å; W110-P114 HydrophobicContact CZ2-CB 3.69Å; W110-P114 HydrophobicContact CZ2-CG 3.98Å; W110-P114 HydrophobicContact CZ3-CG 4.12Å; W110-P114 VanDerWaalsContact O-CA 3.23Å; W110-P114 WeakPolarHBondContact O-CA 3.16Å; W110-P114 WeakPolarHBondContact O-CD 3.35Å; W110-P114 WeakPolarHBondContact O-CG 3.25Å; W110-E118 PolarHBondContact NE1-OE1 2.9Å; W110-M360 HydrophobicContact CB-CB 4.38Å; W110-M360 HydrophobicContact CG-CB 4.24Å; W110-M360 HydrophobicContact CG-CG 4.28Å
111	I	91.9	Very high	94.4	Very high	93 Å²	93	45 Å²	45	48%	0.477	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-25	-178.3	-166.3	62.3	0	0	0	113.3	S109 C113 N355	S109-I111 VanDerWaalsContact C-N 3.3Å; S109-I111 PolarHBondContact O-N 2.79Å; S109-I111 WeakPolarHBondContact OG-CG2 3.42Å; I111-C113 VanDerWaalsContact C-N 3.31Å; I111-C113 PolarHBondContact O-N 3.18Å; I111-N355 HydrophobicContact CG2-CB 3.61Å
112	S	92.5	Very high	94.5	Very high	39 Å²	39	44.4 Å²	44.4	27%	0.273	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-28.3	-179	77.9	0	0	0	0	112.5	I106 F108 S109 W110	I106-S112 WeakPolarHBondContact O-CB 3.38Å; I106-S112 PolarHBondContact O-OG 3.22Å; F108-S112 PolarHBondContact N-OG 3.42Å; F108-S112 VanDerWaalsContact N-OG 3.17Å; S109-S112 PolarHBondContact N-OG 2.79Å; S109-S112 PolarHBondContact O-N 3Å; S109-S112 PolarHBondContact O-OG 2.92Å; S109-S112 PolarHBondContact OG-N 3.02Å; W110-S112 PolarHBondContact O-N 3.46Å
113	C	94.5	Very high	94.6	Very high	18 Å²	18	40.7 Å²	40.7	12%	0.122	23%	0.227	C	C	.	.			trans	-165.6	91.4	166.4	-170.6	0	0	0	0	110	C105 W110 I111 C116 T117	C105-C113 HydrophobicContact CB-CB 4.03Å; C105-C113 PolarHBondContact SG-SG 3.47Å; W110-C113 CarbonylContact O-C 3.17Å; W110-C113 PolarHBondContact O-N 3.38Å; I111-C113 VanDerWaalsContact C-N 3.31Å; I111-C113 PolarHBondContact O-N 3.18Å; C113-C116 HydrophobicContact CB-CB 3.66Å; C113-C116 WeakPolarHBondContact O-CA 3.13Å; C113-C116 WeakPolarHBondContact O-CB 3.48Å; C113-C116 PolarHBondContact O-N 2.82Å; C113-T117 PolarHBondContact O-N 2.86Å
114	P	94.9	Very high	94.7	Very high	38 Å²	38	36.8 Å²	36.8	25%	0.247	21%	0.207	C	C	.	.	H	α-helix	trans	-54.6	-44.7	-175.6	-27.4	33.7	0	0	0	114	W110 C116 T117 E118	W110-P114 HydrophobicContact CD2-CB 4.12Å; W110-P114 HydrophobicContact CD2-CG 4.15Å; W110-P114 HydrophobicContact CE3-CG 4.18Å; W110-P114 HydrophobicContact CH2-CB 4.25Å; W110-P114 HydrophobicContact CH2-CG 4.03Å; W110-P114 HydrophobicContact CZ2-CB 3.69Å; W110-P114 HydrophobicContact CZ2-CG 3.98Å; W110-P114 HydrophobicContact CZ3-CG 4.12Å; W110-P114 VanDerWaalsContact O-CA 3.23Å; W110-P114 WeakPolarHBondContact O-CA 3.16Å; W110-P114 WeakPolarHBondContact O-CD 3.35Å; W110-P114 WeakPolarHBondContact O-CG 3.25Å; P114-C116 PolarHBondContact O-N 3.06Å; P114-T117 PolarHBondContact O-N 2.88Å; P114-T117 VanDerWaalsContact O-N 3.17Å; P114-E118 PolarHBondContact O-N 2.87Å
115	P	95.9	Very high	94.9	Very high	73 Å²	73	33.7 Å²	33.7	47%	0.474	18%	0.18	S	C	.	.	H	α-helix	trans	-62.7	-28.3	176.6	-23.4	35.6	0	0	0	113.7	T117 L119 F374	P115-T117 VanDerWaalsContact C-N 3.34Å; P115-L119 WeakPolarHBondContact O-CB 3.41Å; P115-L119 PolarHBondContact O-N 3.42Å; P115-L119 VanDerWaalsContact O-N 3.08Å; P115-F374 HydrophobicContact CB-CE2 4.27Å; P115-F374 HydrophobicContact CB-CZ 4.09Å; P115-F374 WeakPolarHBondContact O-CE1 3.45Å; P115-F374 WeakPolarHBondContact O-CZ 3.47Å
116	C	95.9	Very high	95	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.02	19%	0.194	C	C	.	.	H	α-helix	trans	-64	-41.8	177.3	-172.1	0	0	0	0	111.5	C113 P114 F374	C113-C116 HydrophobicContact CB-CB 3.66Å; C113-C116 WeakPolarHBondContact O-CA 3.13Å; C113-C116 WeakPolarHBondContact O-CB 3.48Å; C113-C116 PolarHBondContact O-N 2.82Å; P114-C116 PolarHBondContact O-N 3.06Å; C116-F374 VanDerWaalsContact CA-CE1 3.49Å; C116-F374 HydrophobicContact CB-CD1 4.13Å; C116-F374 HydrophobicContact CB-CD2 4.48Å; C116-F374 HydrophobicContact CB-CE1 4.4Å; C116-F374 HydrophobicContact CB-CG 4.18Å
117	T	94.7	Very high	95.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-78.6	-51	179.3	-61.9	0	0	0	0	111.2	C113 P114 P115 L119 E120 V121 P361 Y363	C113-T117 PolarHBondContact O-N 2.86Å; P114-T117 PolarHBondContact O-N 2.88Å; P114-T117 VanDerWaalsContact O-N 3.17Å; P115-T117 VanDerWaalsContact C-N 3.34Å; T117-L119 PolarHBondContact O-N 3.31Å; T117-E120 PolarHBondContact O-N 2.98Å; T117-V121 PolarHBondContact O-N 3.39Å; T117-P361 HydrophobicContact CG2-CG 4.03Å; T117-Y363 HydrophobicContact CG2-CD2 3.93Å; T117-Y363 HydrophobicContact CG2-CE2 3.9Å
118	E	95.5	Very high	95.6	Very high	79 Å²	79	34.2 Å²	34.2	37%	0.369	17%	0.173	S	C	.	.	H	α-helix	trans	-66.7	-40.6	-173.4	-72.6	-175.7	-148.4	0	0	112.8	W110 P114 E120 V121 I122 M360	W110-E118 PolarHBondContact NE1-OE1 2.9Å; P114-E118 PolarHBondContact O-N 2.87Å; E118-E120 VanDerWaalsContact C-N 3.3Å; E118-E120 PolarHBondContact O-N 2.95Å; E118-V121 WeakPolarHBondContact O-CB 3.2Å; E118-V121 PolarHBondContact O-N 2.95Å; E118-I122 VanDerWaalsContact O-CG1 3.28Å; E118-I122 WeakPolarHBondContact O-CG1 3.19Å; E118-I122 PolarHBondContact O-N 3.35Å; E118-M360 HydrophobicContact CG-SD 3.8Å
119	L	97.7	Very high	96	Very high	27 Å²	27	38 Å²	38	14%	0.141	19%	0.187	C	C	.	.	H	α-helix	trans	-67	-35	176.8	-173.3	65	0	0	0	111.1	P115 T117 I122 I123 F374 A376 L377 W380	P115-L119 WeakPolarHBondContact O-CB 3.41Å; P115-L119 PolarHBondContact O-N 3.42Å; P115-L119 VanDerWaalsContact O-N 3.08Å; T117-L119 PolarHBondContact O-N 3.31Å; L119-I122 PolarHBondContact O-N 3.47Å; L119-I123 HydrophobicContact CD1-CD1 4.28Å; L119-I123 HydrophobicContact CD1-CG1 3.91Å; L119-I123 HydrophobicContact CG-CG1 4.13Å; L119-I123 WeakPolarHBondContact O-CB 3.16Å; L119-I123 WeakPolarHBondContact O-CG1 3.49Å; L119-I123 PolarHBondContact O-N 2.69Å; L119-F374 HydrophobicContact CB-CE1 3.96Å; L119-F374 HydrophobicContact CB-CZ 4.18Å; L119-F374 HydrophobicContact CD2-CE1 3.72Å; L119-F374 HydrophobicContact CD2-CZ 3.78Å; L119-F374 HydrophobicContact CG-CE1 4.36Å; L119-A376 HydrophobicContact CG-CB 4.37Å; L119-L377 HydrophobicContact CD2-CD1 4.22Å; L119-W380 HydrophobicContact CD1-CD2 4.18Å; L119-W380 HydrophobicContact CD1-CG 4.05Å; L119-W380 HydrophobicContact CD2-CB 4.18Å; L119-W380 HydrophobicContact CD2-CD2 4.14Å; L119-W380 HydrophobicContact CD2-CE3 4.23Å; L119-W380 HydrophobicContact CD2-CG 4.19Å
120	E	97.8	Very high	96.4	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-62	-45.5	174.2	-172	161.4	134.3	0	0	111.1	T117 E118 I123 L124 I154 Y363 R372 A376	T117-E120 PolarHBondContact O-N 2.98Å; E118-E120 VanDerWaalsContact C-N 3.3Å; E118-E120 PolarHBondContact O-N 2.95Å; E120-I123 PolarHBondContact O-N 2.96Å; E120-L124 HydrophobicContact CG-CD1 3.82Å; E120-L124 HydrophobicContact CG-CG 4.41Å; E120-L124 WeakPolarHBondContact O-CB 3.2Å; E120-L124 VanDerWaalsContact O-CG 3.23Å; E120-L124 WeakPolarHBondContact O-CG 3.33Å; E120-L124 PolarHBondContact O-N 2.97Å; E120-I154 HydrophobicContact CG-CD1 3.89Å; E120-I154 HydrophobicContact CG-CG1 3.84Å; E120-I154 PolarHBondContact OE1-N 2.92Å; E120-Y363 HydrophobicContact CB-CE2 3.93Å; E120-Y363 HydrophobicContact CG-CE2 3.98Å; E120-R372 IonicContact OE1-NH2 3.55Å; E120-R372 PolarHBondContact OE1-NH2 3.09Å; E120-R372 IonicContact OE2-NH2 2.79Å; E120-A376 HydrophobicContact CB-CB 3.77Å; E120-A376 HydrophobicContact CG-CB 4.3Å
121	V	96.5	Very high	96.7	Very high	14 Å²	14	35 Å²	35	9%	0.085	18%	0.177	C	C	.	.	H	α-helix	trans	-55.9	-54	173.8	166.4	0	0	0	0	111.4	T117 E118 I123 L124 D125 P361 Y363	T117-V121 PolarHBondContact O-N 3.39Å; E118-V121 WeakPolarHBondContact O-CB 3.2Å; E118-V121 PolarHBondContact O-N 2.95Å; V121-I123 VanDerWaalsContact C-N 3.32Å; V121-I123 PolarHBondContact O-N 2.85Å; V121-L124 PolarHBondContact O-N 2.74Å; V121-D125 PolarHBondContact O-N 2.84Å; V121-P361 HydrophobicContact CG2-CG 3.52Å; V121-Y363 HydrophobicContact CG2-CE2 4.39Å; V121-Y363 WeakPolarHBondContact CG2-OH 3.49Å
122	I	97.5	Very high	97	Very high	76 Å²	76	32.7 Å²	32.7	39%	0.39	18%	0.175	S	C	.	.	H	α-helix	trans	-59.1	-44.8	-176.5	-68.8	163.5	0	0	0	111.1	E118 L119 D125 W126	E118-I122 VanDerWaalsContact O-CG1 3.28Å; E118-I122 WeakPolarHBondContact O-CG1 3.19Å; E118-I122 PolarHBondContact O-N 3.35Å; L119-I122 PolarHBondContact O-N 3.47Å; I122-D125 PolarHBondContact O-N 2.84Å; I122-W126 HydrophobicContact CG2-CZ2 4.32Å; I122-W126 PolarHBondContact O-N 2.93Å
123	I	98.4	Very high	97.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-74.6	-33.3	-174.9	-63.4	-51.8	0	0	0	112.6	L119 E120 V121 W126 L127 L379 W380 L383	L119-I123 HydrophobicContact CD1-CD1 4.28Å; L119-I123 HydrophobicContact CD1-CG1 3.91Å; L119-I123 HydrophobicContact CG-CG1 4.13Å; L119-I123 WeakPolarHBondContact O-CB 3.16Å; L119-I123 WeakPolarHBondContact O-CG1 3.49Å; L119-I123 PolarHBondContact O-N 2.69Å; E120-I123 PolarHBondContact O-N 2.96Å; V121-I123 VanDerWaalsContact C-N 3.32Å; V121-I123 PolarHBondContact O-N 2.85Å; I123-W126 HydrophobicContact CD1-CD2 3.85Å; I123-W126 HydrophobicContact CD1-CE3 3.48Å; I123-W126 VanDerWaalsContact CD1-CE3 3.48Å; I123-W126 HydrophobicContact CD1-CH2 4.25Å; I123-W126 HydrophobicContact CD1-CZ3 3.71Å; I123-W126 WeakPolarHBondContact O-CB 3.31Å; I123-W126 PolarHBondContact O-N 2.9Å; I123-L127 WeakPolarHBondContact O-CG 3.04Å; I123-L127 PolarHBondContact O-N 2.82Å; I123-L127 VanDerWaalsContact O-N 3.13Å; I123-L379 HydrophobicContact CG2-CB 4.45Å; I123-L379 HydrophobicContact CG2-CD2 3.54Å; I123-L379 HydrophobicContact CG2-CG 3.68Å; I123-W380 HydrophobicContact CD1-CB 4.31Å; I123-W380 HydrophobicContact CD1-CG 4.12Å; I123-W380 HydrophobicContact CG1-CB 4.19Å; I123-W380 HydrophobicContact CG1-CG 4.39Å; I123-L383 HydrophobicContact CG2-CD1 3.64Å
124	L	98.6	Very high	97.4	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-70.4	-35	173.5	-68.1	177.5	0	0	0	111.7	E120 V121 L127 V128 G152 V153 I154 L333 W335	E120-L124 HydrophobicContact CG-CD1 3.82Å; E120-L124 HydrophobicContact CG-CG 4.41Å; E120-L124 WeakPolarHBondContact O-CB 3.2Å; E120-L124 VanDerWaalsContact O-CG 3.23Å; E120-L124 WeakPolarHBondContact O-CG 3.33Å; E120-L124 PolarHBondContact O-N 2.97Å; V121-L124 PolarHBondContact O-N 2.74Å; L124-L127 PolarHBondContact O-N 3.03Å; L124-V128 WeakPolarHBondContact O-CG2 3.44Å; L124-V128 PolarHBondContact O-N 3.23Å; L124-G152 WeakPolarHBondContact CD1-O 3.38Å; L124-V153 VanDerWaalsContact CD1-N 3.28Å; L124-I154 HydrophobicContact CD1-CG1 4.11Å; L124-I154 HydrophobicContact CD2-CG1 4.11Å; L124-I154 HydrophobicContact CG-CG1 4.38Å; L124-L333 HydrophobicContact CD2-CB 4.26Å; L124-L333 HydrophobicContact CD2-CD2 3.88Å; L124-L333 HydrophobicContact CD2-CG 4.48Å; L124-W335 HydrophobicContact CD2-CZ2 3.89Å; L124-W335 PolarHBondContact O-NE1 3.32Å
125	D	98.1	Very high	97.4	Very high	9 Å²	9	35 Å²	35	5%	0.048	18%	0.183	C	C	.	.	H	α-helix	trans	-68	-40.7	172.4	-78.8	11.1	0	0	0	111.8	V121 I122 L127 V128 Y129 L138 S139 S140	V121-D125 PolarHBondContact O-N 2.84Å; I122-D125 PolarHBondContact O-N 2.84Å; D125-L127 PolarHBondContact O-N 3.27Å; D125-V128 WeakPolarHBondContact O-CB 3.3Å; D125-V128 PolarHBondContact O-N 2.74Å; D125-V128 VanDerWaalsContact O-N 3.14Å; D125-Y129 WeakPolarHBondContact O-CD2 3.33Å; D125-Y129 PolarHBondContact O-N 2.93Å; D125-L138 HydrophobicContact CB-CD2 3.92Å; D125-S139 PolarHBondContact OD1-N 3.31Å; D125-S139 PolarHBondContact OD2-N 2.81Å; D125-S140 WeakPolarHBondContact OD2-CB 3.38Å; D125-S140 PolarHBondContact OD2-N 2.68Å; D125-S140 PolarHBondContact OD2-OG 3.22Å
126	W	98.4	Very high	97.5	Very high	119 Å²	119	34.4 Å²	34.4	45%	0.451	17%	0.173	S	C	.	.	H	α-helix	trans	-53.8	-40.8	171.2	-76.8	13.5	0	0	0	111.8	I122 I123 Y129 A130 R384	I122-W126 HydrophobicContact CG2-CZ2 4.32Å; I122-W126 PolarHBondContact O-N 2.93Å; I123-W126 HydrophobicContact CD1-CD2 3.85Å; I123-W126 HydrophobicContact CD1-CE3 3.48Å; I123-W126 VanDerWaalsContact CD1-CE3 3.48Å; I123-W126 HydrophobicContact CD1-CH2 4.25Å; I123-W126 HydrophobicContact CD1-CZ3 3.71Å; I123-W126 WeakPolarHBondContact O-CB 3.31Å; I123-W126 PolarHBondContact O-N 2.9Å; W126-Y129 PolarHBondContact O-N 3.45Å; W126-A130 WeakPolarHBondContact O-CB 3.27Å; W126-A130 PolarHBondContact O-N 2.95Å; W126-R384 HydrophobicContact CZ3-CG 4.43Å
127	L	98.7	Very high	97.6	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-75.9	-30.4	-179.5	-75.1	175.1	0	0	0	113.1	I123 L124 D125 Y129 A130 L131 L300 L333 W335 L379 L383	I123-L127 WeakPolarHBondContact O-CG 3.04Å; I123-L127 PolarHBondContact O-N 2.82Å; I123-L127 VanDerWaalsContact O-N 3.13Å; L124-L127 PolarHBondContact O-N 3.03Å; D125-L127 PolarHBondContact O-N 3.27Å; L127-Y129 VanDerWaalsContact C-N 3.31Å; L127-Y129 PolarHBondContact O-N 2.75Å; L127-A130 HydrophobicContact CD2-CB 4.44Å; L127-A130 PolarHBondContact O-N 2.87Å; L127-L131 HydrophobicContact CB-CD1 4.21Å; L127-L131 WeakPolarHBondContact O-CB 3.04Å; L127-L131 VanDerWaalsContact O-CD1 3.32Å; L127-L131 WeakPolarHBondContact O-CD1 3.47Å; L127-L131 WeakPolarHBondContact O-CG 3.45Å; L127-L131 PolarHBondContact O-N 3.4Å; L127-L300 HydrophobicContact CD2-CD2 4.37Å; L127-L333 HydrophobicContact CD1-CD1 3.48Å; L127-L333 VanDerWaalsContact CD1-CD1 3.48Å; L127-W335 HydrophobicContact CB-CH2 4.18Å; L127-W335 HydrophobicContact CB-CZ2 3.71Å; L127-L379 HydrophobicContact CD1-CD1 4.3Å; L127-L379 HydrophobicContact CD1-CD2 3.91Å; L127-L379 HydrophobicContact CD1-CG 4.47Å; L127-L383 HydrophobicContact CD1-CD1 4.41Å; L127-L383 HydrophobicContact CD2-CD1 4.33Å; L127-L383 HydrophobicContact CD2-CD2 4.16Å; L127-L383 HydrophobicContact CG-CD1 4.27Å
128	V	98.5	Very high	97.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-53.6	-52.1	168.2	169.5	0	0	0	0	109.8	L124 D125 G132 L133 F137 L138	L124-V128 WeakPolarHBondContact O-CG2 3.44Å; L124-V128 PolarHBondContact O-N 3.23Å; D125-V128 WeakPolarHBondContact O-CB 3.3Å; D125-V128 PolarHBondContact O-N 2.74Å; D125-V128 VanDerWaalsContact O-N 3.14Å; V128-G132 PolarHBondContact O-N 2.98Å; V128-L133 HydrophobicContact CB-CB 4.46Å; V128-L133 HydrophobicContact CG1-CB 4.03Å; V128-L133 WeakPolarHBondContact CG1-O 3.34Å; V128-L133 PolarHBondContact O-N 2.89Å; V128-F137 HydrophobicContact CG2-CB 4.08Å; V128-L138 HydrophobicContact CB-CD2 3.71Å; V128-L138 HydrophobicContact CB-CG 4.45Å; V128-L138 HydrophobicContact CG1-CD2 3.59Å; V128-L138 HydrophobicContact CG1-CG 3.87Å; V128-L138 HydrophobicContact CG2-CD2 4.17Å
129	Y	97.9	Very high	97.6	Very high	136 Å²	136	31.1 Å²	31.1	53%	0.533	16%	0.159	S	C	.	.	H	α-helix	trans	-65.2	-44.9	178.4	-60.7	-59.3	0	0	0	112.9	D125 W126 L127 L131 G132 L138	D125-Y129 WeakPolarHBondContact O-CD2 3.33Å; D125-Y129 PolarHBondContact O-N 2.93Å; W126-Y129 PolarHBondContact O-N 3.45Å; L127-Y129 VanDerWaalsContact C-N 3.31Å; L127-Y129 PolarHBondContact O-N 2.75Å; Y129-L131 PolarHBondContact O-N 3.39Å; Y129-G132 PolarHBondContact O-N 2.85Å; Y129-L138 HydrophobicContact CD2-CD2 4.45Å; Y129-L138 HydrophobicContact CE1-CD1 4.02Å; Y129-L138 HydrophobicContact CE1-CD2 4.12Å; Y129-L138 HydrophobicContact CE2-CD2 3.81Å; Y129-L138 WeakPolarHBondContact OH-CD1 3.15Å
130	A	98.4	Very high	97	Very high	8 Å²	8	32.1 Å²	32.1	7%	0.066	17%	0.168	C	C	.	.	H	α-helix	trans	-65.1	-41	-176.3	0	0	0	0	0	112.4	W126 L127 G132 L300 R305 L388	W126-A130 WeakPolarHBondContact O-CB 3.27Å; W126-A130 PolarHBondContact O-N 2.95Å; L127-A130 HydrophobicContact CD2-CB 4.44Å; L127-A130 PolarHBondContact O-N 2.87Å; A130-G132 VanDerWaalsContact C-N 3.31Å; A130-L300 HydrophobicContact CB-CD2 3.67Å; A130-R305 PolarHBondContact O-NH2 2.81Å; A130-L388 HydrophobicContact CB-CD1 3.73Å; A130-L388 HydrophobicContact CB-CD2 4.08Å
131	L	98.5	Very high	96.2	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-75.9	-19.8	177	-65.9	164.1	0	0	0	112	L127 Y129 L133 L299 L300 R305 I319 W335	L127-L131 HydrophobicContact CB-CD1 4.21Å; L127-L131 WeakPolarHBondContact O-CB 3.04Å; L127-L131 VanDerWaalsContact O-CD1 3.32Å; L127-L131 WeakPolarHBondContact O-CD1 3.47Å; L127-L131 WeakPolarHBondContact O-CG 3.45Å; L127-L131 PolarHBondContact O-N 3.4Å; Y129-L131 PolarHBondContact O-N 3.39Å; L131-L133 HydrophobicContact CB-CD1 4.4Å; L131-L133 HydrophobicContact CB-CD2 4.48Å; L131-L133 HydrophobicContact CB-CG 3.87Å; L131-L133 HydrophobicContact CD1-CD1 3.95Å; L131-L133 HydrophobicContact CD1-CG 4.34Å; L131-L299 HydrophobicContact CB-CB 4.23Å; L131-L299 HydrophobicContact CD2-CB 3.93Å; L131-L299 WeakPolarHBondContact O-CB 3.3Å; L131-L300 HydrophobicContact CD2-CD2 3.64Å; L131-L300 HydrophobicContact CD2-CG 3.7Å; L131-L300 HydrophobicContact CG-CD2 3.91Å; L131-R305 PolarHBondContact O-NE 3.26Å; L131-I319 HydrophobicContact CD1-CD1 3.67Å; L131-I319 HydrophobicContact CD2-CD1 4.06Å; L131-I319 HydrophobicContact CG-CD1 4.5Å; L131-W335 HydrophobicContact CD1-CH2 3.57Å; L131-W335 HydrophobicContact CD1-CZ2 4.22Å; L131-W335 HydrophobicContact CD1-CZ3 4.07Å
132	G	97.8	Very high	95.2	Very high	43 Å²	43	34.8 Å²	34.8	44%	0.443	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	35.2	-172.3	0	0	0	0	0	112.2	V128 Y129 A130	V128-G132 PolarHBondContact O-N 2.98Å; Y129-G132 PolarHBondContact O-N 2.85Å; A130-G132 VanDerWaalsContact C-N 3.31Å
133	L	98.3	Very high	94	Very high	8 Å²	8	37.4 Å²	37.4	4%	0.042	20%	0.199	C	C	.	.			trans	-75	151	171.1	-61.8	179.3	0	0	0	109.8	V128 L131 F137 L299 I311 I317 W335	V128-L133 HydrophobicContact CB-CB 4.46Å; V128-L133 HydrophobicContact CG1-CB 4.03Å; V128-L133 WeakPolarHBondContact CG1-O 3.34Å; V128-L133 PolarHBondContact O-N 2.89Å; L131-L133 HydrophobicContact CB-CD1 4.4Å; L131-L133 HydrophobicContact CB-CD2 4.48Å; L131-L133 HydrophobicContact CB-CG 3.87Å; L131-L133 HydrophobicContact CD1-CD1 3.95Å; L131-L133 HydrophobicContact CD1-CG 4.34Å; L133-F137 HydrophobicContact CB-CD2 4.12Å; L133-L299 HydrophobicContact CD2-CD1 4.3Å; L133-I311 HydrophobicContact CD2-CG2 3.78Å; L133-I317 HydrophobicContact CD1-CG2 4.2Å; L133-I317 HydrophobicContact CD2-CD1 4.16Å; L133-I317 HydrophobicContact CD2-CG2 4.37Å; L133-W335 HydrophobicContact CD1-CD2 3.91Å; L133-W335 HydrophobicContact CD1-CE3 3.89Å; L133-W335 HydrophobicContact CD1-CG 4.36Å; L133-W335 HydrophobicContact CD1-CH2 4.45Å; L133-W335 HydrophobicContact CD1-CZ3 4.16Å
134	P	97.2	Very high	93.1	Very high	34 Å²	34	44.7 Å²	44.7	22%	0.221	24%	0.239	C	C	.	.			trans	-63.6	147.3	177.7	-12.2	17.2	0	0	0	113.6	K136 F137 E312	P134-K136 HydrophobicContact CB-CD 4.47Å; P134-K136 HydrophobicContact CB-CG 4.19Å; P134-K136 PolarHBondContact O-N 3.3Å; P134-F137 HydrophobicContact CB-CD2 4.44Å; P134-F137 HydrophobicContact CG-CD2 4.21Å; P134-F137 HydrophobicContact CG-CE2 4.05Å; P134-F137 WeakPolarHBondContact O-CB 3.36Å; P134-F137 WeakPolarHBondContact O-CD2 3.27Å; P134-F137 PolarHBondContact O-N 3.1Å; P134-E312 HydrophobicContact CG-CB 4.06Å
135	D	96.1	Very high	92.4	Very high	101 Å²	101	48.2 Å²	48.2	54%	0.54	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-57.5	-20.9	-178.4	-65.5	-3.6	0	0	0	114.4	F137 L138	D135-F137 PolarHBondContact O-N 3.2Å; D135-L138 HydrophobicContact CB-CD1 3.92Å; D135-L138 WeakPolarHBondContact O-CB 3.29Å; D135-L138 PolarHBondContact O-N 3.37Å
136	K	96.4	Very high	91.6	Very high	62 Å²	62	53.8 Å²	53.8	27%	0.27	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-59.2	-12.3	172.4	79.9	-171.9	-177.5	173.2	0	113.5	P134 H148 G150 E312 A314	P134-K136 HydrophobicContact CB-CD 4.47Å; P134-K136 HydrophobicContact CB-CG 4.19Å; P134-K136 PolarHBondContact O-N 3.3Å; K136-H148 PolarHBondContact O-CE1 2.95Å; K136-G150 WeakPolarHBondContact O-CA 3.49Å; K136-E312 PolarHBondContact NZ-O 3.22Å; K136-A314 WeakPolarHBondContact CE-O 3.47Å; K136-A314 PolarHBondContact NZ-O 3Å
137	F	98	Very high	91.1	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-99	-7.7	176.9	-67	-57.2	0	0	0	114.3	V128 L133 P134 D135 G151 I311 A314 I317 W335 L336	V128-F137 HydrophobicContact CG2-CB 4.08Å; L133-F137 HydrophobicContact CB-CD2 4.12Å; P134-F137 HydrophobicContact CB-CD2 4.44Å; P134-F137 HydrophobicContact CG-CD2 4.21Å; P134-F137 HydrophobicContact CG-CE2 4.05Å; P134-F137 WeakPolarHBondContact O-CB 3.36Å; P134-F137 WeakPolarHBondContact O-CD2 3.27Å; P134-F137 PolarHBondContact O-N 3.1Å; D135-F137 PolarHBondContact O-N 3.2Å; F137-G151 CarbonylContact O-C 3.25Å; F137-G151 WeakPolarHBondContact O-CA 3.27Å; F137-G151 PolarHBondContact O-N 3.07Å; F137-I311 HydrophobicContact CE2-CG2 4.39Å; F137-A314 WeakPolarHBondContact CZ-O 3.44Å; F137-I317 HydrophobicContact CE2-CG2 4.42Å; F137-I317 HydrophobicContact CZ-CG2 4.31Å; F137-W335 HydrophobicContact CB-CB 4Å; F137-W335 HydrophobicContact CB-CG 4.32Å; F137-W335 HydrophobicContact CD1-CB 3.72Å; F137-W335 HydrophobicContact CE1-CB 4.41Å; F137-W335 HydrophobicContact CG-CB 3.98Å; F137-L336 VanDerWaalsContact CD1-C 3.45Å
138	L	96.9	Very high	90.7	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.016	32%	0.315	C	S	.	.			trans	-66.8	139.2	177.1	-69.1	168.3	0	0	0	110.3	D125 V128 Y129 D135 H148 G150	D125-L138 HydrophobicContact CB-CD2 3.92Å; V128-L138 HydrophobicContact CB-CD2 3.71Å; V128-L138 HydrophobicContact CB-CG 4.45Å; V128-L138 HydrophobicContact CG1-CD2 3.59Å; V128-L138 HydrophobicContact CG1-CG 3.87Å; V128-L138 HydrophobicContact CG2-CD2 4.17Å; Y129-L138 HydrophobicContact CD2-CD2 4.45Å; Y129-L138 HydrophobicContact CE1-CD1 4.02Å; Y129-L138 HydrophobicContact CE1-CD2 4.12Å; Y129-L138 HydrophobicContact CE2-CD2 3.81Å; Y129-L138 WeakPolarHBondContact OH-CD1 3.15Å; D135-L138 HydrophobicContact CB-CD1 3.92Å; D135-L138 WeakPolarHBondContact O-CB 3.29Å; D135-L138 PolarHBondContact O-N 3.37Å; L138-H148 PolarHBondContact O-CE1 2.72Å; L138-H148 PolarHBondContact O-NE2 2.96Å; L138-G150 CarbonylContact O-C 3.59Å
139	S	94.3	Very high	90.5	Very high	10 Å²	10	61.1 Å²	61.1	7%	0.07	34%	0.336	C	S	.	.	S	Bend	trans	-77.1	-36.6	169.1	-65.8	0	0	0	0	110.8	D125 S141 S142 G151 G152	D125-S139 PolarHBondContact OD1-N 3.31Å; D125-S139 PolarHBondContact OD2-N 2.81Å; S139-S141 VanDerWaalsContact C-N 3.31Å; S139-S141 PolarHBondContact O-N 3.17Å; S139-S142 PolarHBondContact O-N 3.24Å; S139-S142 PolarHBondContact O-OG 3.43Å; S139-G151 VanDerWaalsContact OG-CA 3.23Å; S139-G151 WeakPolarHBondContact OG-CA 3.35Å; S139-G152 PolarHBondContact OG-N 3.47Å
140	S	84.6	Confident	90.5	Very high	48 Å²	48	54.9 Å²	54.9	34%	0.336	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-68.7	-20.4	-175.6	52.4	0	0	0	0	115.4	D125 S142 M143	D125-S140 WeakPolarHBondContact OD2-CB 3.38Å; D125-S140 PolarHBondContact OD2-N 2.68Å; D125-S140 PolarHBondContact OD2-OG 3.22Å; S140-S142 PolarHBondContact O-N 2.79Å; S140-S142 VanDerWaalsContact O-N 3.14Å; S140-M143 WeakPolarHBondContact O-CB 3.39Å; S140-M143 PolarHBondContact O-N 3.11Å
141	S	81.2	Confident	90.4	Very high	28 Å²	28	54.5 Å²	54.5	20%	0.196	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-60.6	-24.2	176.1	-67	0	0	0	0	112.7	S139 M143 N144 D145	S139-S141 VanDerWaalsContact C-N 3.31Å; S139-S141 PolarHBondContact O-N 3.17Å; S141-M143 PolarHBondContact O-N 2.87Å; S141-N144 PolarHBondContact O-N 3.1Å; S141-N144 VanDerWaalsContact O-N 3.08Å; S141-D145 PolarHBondContact O-N 3.02Å
142	S	75	Confident	90.4	Very high	42 Å²	42	54.4 Å²	54.4	29%	0.294	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-60	-24.3	174.6	61.2	0	0	0	0	114.1	S139 S140 N144 D145 H148	S139-S142 PolarHBondContact O-N 3.24Å; S139-S142 PolarHBondContact O-OG 3.43Å; S140-S142 PolarHBondContact O-N 2.79Å; S140-S142 VanDerWaalsContact O-N 3.14Å; S142-N144 VanDerWaalsContact C-N 3.32Å; S142-D145 WeakPolarHBondContact CA-O 3.48Å; S142-H148 PolarHBondContact N-CD2 3.35Å
143	M	73.1	Confident	90.3	Very high	131 Å²	131	52.4 Å²	52.4	65%	0.645	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-72.6	-26.1	176.8	-64	-132.1	-178	0	0	113	S140 S141 M360	S140-M143 WeakPolarHBondContact O-CB 3.39Å; S140-M143 PolarHBondContact O-N 3.11Å; S141-M143 PolarHBondContact O-N 2.87Å; M143-M360 HydrophobicContact CE-CE 3.59Å
144	N	78.4	Confident	90.3	Very high	154 Å²	154	52 Å²	52	82%	0.824	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-24	-178.6	-64.1	-35.6	0	0	0	112.6	S141 S142	S141-N144 PolarHBondContact O-N 3.1Å; S141-N144 VanDerWaalsContact O-N 3.08Å; S142-N144 VanDerWaalsContact C-N 3.32Å
145	D	84.6	Confident	90.4	Very high	73 Å²	73	50.4 Å²	50.4	39%	0.39	28%	0.275	S	S	.	.			trans	-131.4	103	176.3	178.9	7.2	0	0	0	109.9	S141 S142 L147 H148	S141-D145 PolarHBondContact O-N 3.02Å; S142-D145 WeakPolarHBondContact CA-O 3.48Å; D145-L147 PolarHBondContact O-N 2.8Å; D145-L147 VanDerWaalsContact O-N 3.08Å; D145-L147 WeakPolarHBondContact OD1-CB 3.34Å; D145-L147 PolarHBondContact OD1-N 2.76Å; D145-H148 HydrophobicContact CB-CB 4.02Å; D145-H148 WeakPolarHBondContact O-CB 3.46Å; D145-H148 PolarHBondContact O-N 2.79Å
146	P	82.2	Confident	90.4	Very high	126 Å²	126	47.7 Å²	47.7	82%	0.818	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-16.7	177.8	-22.8	33.2	0	0	0	114.4	H148	P146-H148 VanDerWaalsContact C-N 3.34Å
147	L	86.7	Confident	90.5	Very high	144 Å²	144	46 Å²	46	75%	0.754	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-10.3	175.7	-61.1	174.5	0	0	0	112.5	D145 K149	D145-L147 PolarHBondContact O-N 2.8Å; D145-L147 VanDerWaalsContact O-N 3.08Å; D145-L147 WeakPolarHBondContact OD1-CB 3.34Å; D145-L147 PolarHBondContact OD1-N 2.76Å; L147-K149 PolarHBondContact O-N 2.82Å
148	H	91.8	Very high	90.5	Very high	32 Å²	32	46.3 Å²	46.3	15%	0.148	26%	0.261	C	S	.	.			trans	-71.2	125	179.1	179.5	86.3	0	0	0	110.9	K136 L138 S142 D145 P146 G150	K136-H148 PolarHBondContact O-CE1 2.95Å; L138-H148 PolarHBondContact O-CE1 2.72Å; L138-H148 PolarHBondContact O-NE2 2.96Å; S142-H148 PolarHBondContact N-CD2 3.35Å; D145-H148 HydrophobicContact CB-CB 4.02Å; D145-H148 WeakPolarHBondContact O-CB 3.46Å; D145-H148 PolarHBondContact O-N 2.79Å; P146-H148 VanDerWaalsContact C-N 3.34Å; H148-G150 PolarHBondContact CD2-N 3.03Å; H148-G150 VanDerWaalsContact NE2-CA 3.25Å; H148-G150 WeakPolarHBondContact NE2-CA 3.3Å; H148-G150 PolarHBondContact NE2-N 2.88Å; H148-G150 VanDerWaalsContact NE2-N 3.14Å
149	K	94.2	Very high	90.5	Very high	99 Å²	99	48.4 Å²	48.4	43%	0.43	28%	0.276	S	S	.	.			trans	-116.2	8.3	-177.3	-60.4	177.7	-175	180	0	112.8	L147 S337 D338 H339 T340	L147-K149 PolarHBondContact O-N 2.82Å; K149-S337 CarbonylContact C-O 3.52Å; K149-D338 HydrophobicContact CB-CB 4.22Å; K149-D338 WeakPolarHBondContact CB-OD1 3.44Å; K149-D338 WeakPolarHBondContact CD-OD1 3.37Å; K149-D338 CarbonylContact O-C 3.55Å; K149-D338 VanDerWaalsContact O-CA 3.26Å; K149-D338 WeakPolarHBondContact O-CA 3.42Å; K149-H339 PolarHBondContact O-CD2 3.2Å; K149-H339 PolarHBondContact O-N 3.42Å; K149-T340 HydrophobicContact CD-CG2 4.01Å; K149-T340 HydrophobicContact CG-CG2 4.36Å
150	G	96.7	Very high	90.6	Very high	5 Å²	5	49.7 Å²	49.7	5%	0.052	28%	0.282	C	S	.	.			trans	-71	159.7	179.2	0	0	0	0	0	112.8	K136 L138 H148 L336 S337	K136-G150 WeakPolarHBondContact O-CA 3.49Å; L138-G150 CarbonylContact O-C 3.59Å; H148-G150 PolarHBondContact CD2-N 3.03Å; H148-G150 VanDerWaalsContact NE2-CA 3.25Å; H148-G150 WeakPolarHBondContact NE2-CA 3.3Å; H148-G150 PolarHBondContact NE2-N 2.88Å; H148-G150 VanDerWaalsContact NE2-N 3.14Å; G150-L336 CarbonylContact C-O 3.59Å; G150-L336 VanDerWaalsContact CA-O 3.24Å; G150-L336 WeakPolarHBondContact CA-O 3.36Å; G150-S337 PolarHBondContact N-O 3.39Å
151	G	96.7	Very high	91.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.9	170.8	168.3	0	0	0	0	0	113.6	F137 S139 W335 L336	F137-G151 CarbonylContact O-C 3.25Å; F137-G151 WeakPolarHBondContact O-CA 3.27Å; F137-G151 PolarHBondContact O-N 3.07Å; S139-G151 VanDerWaalsContact OG-CA 3.23Å; S139-G151 WeakPolarHBondContact OG-CA 3.35Å; G151-W335 WeakPolarHBondContact O-CA 3.43Å; G151-L336 PolarHBondContact N-O 2.9Å; G151-L336 PolarHBondContact O-N 3.47Å
152	G	97.5	Very high	92.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	150.7	177.8	0	0	0	0	0	113.6	L124 S139 L334 Y363	L124-G152 WeakPolarHBondContact CD1-O 3.38Å; S139-G152 PolarHBondContact OG-N 3.47Å; G152-L334 CarbonylContact C-O 3.52Å; G152-L334 VanDerWaalsContact CA-O 3.25Å; G152-L334 WeakPolarHBondContact CA-O 3.26Å; G152-Y363 WeakPolarHBondContact O-CE1 3.42Å; G152-Y363 PolarHBondContact O-OH 3.34Å
153	V	97.6	Very high	93.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	146.1	168.4	61.5	0	0	0	0	111.2	L124 L334 L336 Y363 W366	L124-V153 VanDerWaalsContact CD1-N 3.28Å; V153-L334 HydrophobicContact CG1-CB 4.01Å; V153-L334 HydrophobicContact CG1-CD2 3.89Å; V153-L334 HydrophobicContact CG1-CG 4.08Å; V153-L334 PolarHBondContact N-O 3.06Å; V153-L334 PolarHBondContact O-N 3.1Å; V153-L336 HydrophobicContact CG1-CD1 4.46Å; V153-Y363 HydrophobicContact CB-CD1 3.99Å; V153-Y363 HydrophobicContact CB-CE1 3.76Å; V153-Y363 HydrophobicContact CG2-CD1 3.61Å; V153-Y363 HydrophobicContact CG2-CE1 3.84Å; V153-Y363 HydrophobicContact CG2-CG 4.43Å; V153-W366 HydrophobicContact CB-CB 4.44Å; V153-W366 HydrophobicContact CB-CE3 3.89Å; V153-W366 HydrophobicContact CG1-CE3 4.13Å; V153-W366 HydrophobicContact CG2-CB 4.2Å
154	I	98.2	Very high	94.3	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	117.2	171.3	-54	176.1	0	0	0	110	E120 L124 S332 L333 R372 R375 A376 L379	E120-I154 HydrophobicContact CG-CD1 3.89Å; E120-I154 HydrophobicContact CG-CG1 3.84Å; E120-I154 PolarHBondContact OE1-N 2.92Å; L124-I154 HydrophobicContact CD1-CG1 4.11Å; L124-I154 HydrophobicContact CD2-CG1 4.11Å; L124-I154 HydrophobicContact CG-CG1 4.38Å; I154-S332 CarbonylContact C-O 3.56Å; I154-S332 WeakPolarHBondContact CA-O 3.45Å; I154-L333 HydrophobicContact CG1-CD2 4.09Å; I154-R372 PolarHBondContact O-NH2 3.42Å; I154-R375 HydrophobicContact CB-CB 4.34Å; I154-R375 HydrophobicContact CD1-CB 4.18Å; I154-R375 HydrophobicContact CG2-CB 3.88Å; I154-R375 HydrophobicContact CG2-CG 4.36Å; I154-A376 HydrophobicContact CD1-CB 4.04Å; I154-L379 HydrophobicContact CD1-CD2 4.16Å
155	E	97.4	Very high	95.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	167.7	173.1	-73.1	-60.5	152	0	0	112.3	L160 A161 S332 L334 S367	E155-L160 VanDerWaalsContact OE2-CD2 3.26Å; E155-L160 WeakPolarHBondContact OE2-CD2 3.4Å; E155-A161 HydrophobicContact CB-CB 4.38Å; E155-A161 HydrophobicContact CG-CB 4.22Å; E155-S332 PolarHBondContact N-O 3.34Å; E155-S332 WeakPolarHBondContact O-CB 3.31Å; E155-S332 PolarHBondContact O-N 3.39Å; E155-L334 HydrophobicContact CG-CB 4.41Å; E155-L334 HydrophobicContact CG-CD2 4.3Å; E155-S367 WeakPolarHBondContact OE1-CB 3.35Å; E155-S367 PolarHBondContact OE1-OG 3.47Å; E155-S367 PolarHBondContact OE2-OG 3.45Å
156	V	97.1	Very high	95.9	Very high	45 Å²	45	27.2 Å²	27.2	27%	0.273	16%	0.155	S	C	.	.	S	Bend	trans	-67.8	-44.7	175.3	178.5	0	0	0	0	110.8	L160 F329 D330 R375	V156-L160 HydrophobicContact CB-CD2 4.06Å; V156-L160 HydrophobicContact CG2-CD2 4Å; V156-F329 HydrophobicContact CG1-CZ 4.08Å; V156-D330 HydrophobicContact CB-CB 4.43Å; V156-D330 HydrophobicContact CG1-CB 3.84Å; V156-D330 WeakPolarHBondContact O-CB 3.34Å; V156-R375 VanDerWaalsContact CG2-NH2 3.29Å
157	S	97.8	Very high	96.7	Very high	26 Å²	26	22.6 Å²	22.6	18%	0.182	12%	0.123	C	C	.	.			trans	-154.3	159.4	-174	64.9	0	0	0	0	111.6	S159 L160 A161 S332	S157-S159 PolarHBondContact O-N 2.55Å; S157-L160 PolarHBondContact O-N 3.42Å; S157-L160 PolarHBondContact OG-N 2.95Å; S157-A161 PolarHBondContact O-N 3.26Å; S157-S332 VanDerWaalsContact C-CB 3.44Å; S157-S332 VanDerWaalsContact C-OG 3.29Å
158	A	97.9	Very high	97.2	Very high	6 Å²	6	15.7 Å²	15.7	5%	0.05	9%	0.088	C	C	.	.	H	α-helix	trans	-52.7	-37.1	169.6	0	0	0	0	0	112.5	L160 A161 C162 A293 N318 N320 S332	A158-L160 VanDerWaalsContact C-N 3.32Å; A158-L160 PolarHBondContact O-N 3.47Å; A158-A161 PolarHBondContact O-N 3.37Å; A158-C162 WeakPolarHBondContact O-CB 3.38Å; A158-C162 PolarHBondContact O-N 2.96Å; A158-A293 HydrophobicContact CB-CB 3.86Å; A158-N318 WeakPolarHBondContact CB-ND2 3.34Å; A158-N320 PolarHBondContact N-OD1 3.46Å; A158-S332 PolarHBondContact N-OG 2.96Å
159	S	97.8	Very high	97.5	Very high	47 Å²	47	14.4 Å²	14.4	33%	0.329	8%	0.082	S	C	.	.	H	α-helix	trans	-57.8	-45.4	175.6	-48.3	0	0	0	0	112.2	S157 A163 S211	S157-S159 PolarHBondContact O-N 2.55Å; S159-A163 WeakPolarHBondContact O-CB 3.43Å; S159-A163 PolarHBondContact O-N 3.24Å; S159-S211 WeakPolarHBondContact OG-CB 3.45Å
160	L	96.9	Very high	97.6	Very high	37 Å²	37	12.7 Å²	12.7	19%	0.194	7%	0.072	C	C	.	.	H	α-helix	trans	-71.5	-40.6	179.1	-170.1	59.4	0	0	0	110.6	E155 V156 S157 A158 C162 A163 T164 I368	E155-L160 VanDerWaalsContact OE2-CD2 3.26Å; E155-L160 WeakPolarHBondContact OE2-CD2 3.4Å; V156-L160 HydrophobicContact CB-CD2 4.06Å; V156-L160 HydrophobicContact CG2-CD2 4Å; S157-L160 PolarHBondContact O-N 3.42Å; S157-L160 PolarHBondContact OG-N 2.95Å; A158-L160 VanDerWaalsContact C-N 3.32Å; A158-L160 PolarHBondContact O-N 3.47Å; L160-C162 PolarHBondContact O-N 3.01Å; L160-A163 PolarHBondContact O-N 2.99Å; L160-T164 VanDerWaalsContact O-CB 3.3Å; L160-T164 WeakPolarHBondContact O-CB 3.35Å; L160-T164 PolarHBondContact O-N 3.37Å; L160-T164 PolarHBondContact O-OG1 3.46Å; L160-I368 HydrophobicContact CD1-CD1 3.65Å; L160-I368 HydrophobicContact CD1-CG1 4.19Å
161	A	97.8	Very high	97.5	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-55.3	-50.2	174.2	0	0	0	0	0	111.9	E155 S157 A158 A163 T164 I165 N318 L334	E155-A161 HydrophobicContact CB-CB 4.38Å; E155-A161 HydrophobicContact CG-CB 4.22Å; S157-A161 PolarHBondContact O-N 3.26Å; A158-A161 PolarHBondContact O-N 3.37Å; A161-A163 PolarHBondContact O-N 3.14Å; A161-T164 PolarHBondContact O-N 2.62Å; A161-I165 WeakPolarHBondContact O-CD1 3.4Å; A161-I165 WeakPolarHBondContact O-CG1 3.1Å; A161-I165 PolarHBondContact O-N 3.48Å; A161-I165 VanDerWaalsContact O-N 3.07Å; A161-N318 HydrophobicContact CB-CB 4.15Å; A161-L334 HydrophobicContact CB-CB 4.23Å; A161-L334 HydrophobicContact CB-CD1 4.44Å; A161-L334 HydrophobicContact CB-CD2 4.08Å; A161-L334 HydrophobicContact CB-CG 4.47Å
162	C	98	Very high	97.4	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.014	9%	0.088	C	C	.	.	H	α-helix	trans	-63.5	-40.8	178.2	-170.7	0	0	0	0	112.3	A158 L160 I165 A166 A215	A158-C162 WeakPolarHBondContact O-CB 3.38Å; A158-C162 PolarHBondContact O-N 2.96Å; L160-C162 PolarHBondContact O-N 3.01Å; C162-I165 PolarHBondContact O-N 3.49Å; C162-A166 WeakPolarHBondContact O-CB 3.45Å; C162-A166 PolarHBondContact O-N 3.08Å; C162-A215 HydrophobicContact CB-CB 3.91Å
163	A	98	Very high	97.3	Very high	2 Å²	2	18.3 Å²	18.3	2%	0.017	10%	0.098	C	C	.	.	H	α-helix	trans	-65.7	-43.6	177.6	0	0	0	0	0	112.3	S159 L160 A161 I165 A166 L167 A215 L218	S159-A163 WeakPolarHBondContact O-CB 3.43Å; S159-A163 PolarHBondContact O-N 3.24Å; L160-A163 PolarHBondContact O-N 2.99Å; A161-A163 PolarHBondContact O-N 3.14Å; A163-I165 VanDerWaalsContact C-N 3.34Å; A163-I165 PolarHBondContact O-N 3.1Å; A163-A166 PolarHBondContact O-N 3.2Å; A163-L167 WeakPolarHBondContact O-CB 3.4Å; A163-L167 VanDerWaalsContact O-CG 3.31Å; A163-L167 WeakPolarHBondContact O-CG 3.49Å; A163-L167 PolarHBondContact O-N 3.33Å; A163-A215 HydrophobicContact CB-CB 3.91Å; A163-L218 HydrophobicContact CB-CD1 4.34Å
164	T	97.7	Very high	97	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-58.3	-45.6	176.1	-62.5	0	0	0	0	110.7	L160 A161 G168 I342 F346	L160-T164 VanDerWaalsContact O-CB 3.3Å; L160-T164 WeakPolarHBondContact O-CB 3.35Å; L160-T164 PolarHBondContact O-N 3.37Å; L160-T164 PolarHBondContact O-OG1 3.46Å; A161-T164 PolarHBondContact O-N 2.62Å; T164-G168 PolarHBondContact O-N 3.46Å; T164-G168 VanDerWaalsContact O-N 3.08Å; T164-I342 HydrophobicContact CG2-CB 4.3Å; T164-I342 HydrophobicContact CG2-CD1 4.44Å; T164-I342 HydrophobicContact CG2-CG2 3.89Å; T164-F346 HydrophobicContact CG2-CD2 4.39Å; T164-F346 HydrophobicContact CG2-CE2 3.5Å; T164-F346 HydrophobicContact CG2-CZ 4.19Å; T164-F346 WeakPolarHBondContact O-CZ 3.41Å
165	I	98.1	Very high	96.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.7	-48.6	175.8	-63.1	156.9	0	0	0	111.1	A161 C162 A163 L167 G168 I169 M258 W287 H289 S316 L334 L336	A161-I165 WeakPolarHBondContact O-CD1 3.4Å; A161-I165 WeakPolarHBondContact O-CG1 3.1Å; A161-I165 PolarHBondContact O-N 3.48Å; A161-I165 VanDerWaalsContact O-N 3.07Å; C162-I165 PolarHBondContact O-N 3.49Å; A163-I165 VanDerWaalsContact C-N 3.34Å; A163-I165 PolarHBondContact O-N 3.1Å; I165-L167 VanDerWaalsContact C-N 3.31Å; I165-L167 PolarHBondContact O-N 2.57Å; I165-G168 PolarHBondContact O-N 3.14Å; I165-G168 VanDerWaalsContact O-N 3.13Å; I165-I169 HydrophobicContact CG2-CG1 4.09Å; I165-I169 WeakPolarHBondContact O-CB 3.24Å; I165-I169 WeakPolarHBondContact O-CG1 3.18Å; I165-I169 PolarHBondContact O-N 3.36Å; I165-M258 HydrophobicContact CB-CE 4.22Å; I165-M258 HydrophobicContact CG2-CE 3.68Å; I165-M258 HydrophobicContact CG2-SD 3.83Å; I165-W287 HydrophobicContact CG2-CZ2 4.47Å; I165-H289 VanDerWaalsContact CD1-CE1 3.48Å; I165-H289 WeakPolarHBondContact CD1-CE1 3.27Å; I165-S316 VanDerWaalsContact CD1-OG 3.3Å; I165-S316 WeakPolarHBondContact CD1-OG 3.45Å; I165-L334 HydrophobicContact CD1-CD1 3.72Å; I165-L334 HydrophobicContact CD1-CD2 4.45Å; I165-L334 HydrophobicContact CG1-CD1 4.4Å; I165-L334 HydrophobicContact CG1-CD2 4.39Å; I165-L336 HydrophobicContact CG1-CD2 4.39Å
166	A	98.4	Very high	96.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.2	-41.4	-177	0	0	0	0	0	112.1	C162 A163 R170 F216 A219 L221 M258	C162-A166 WeakPolarHBondContact O-CB 3.45Å; C162-A166 PolarHBondContact O-N 3.08Å; A163-A166 PolarHBondContact O-N 3.2Å; A166-R170 WeakPolarHBondContact O-CB 3.46Å; A166-R170 PolarHBondContact O-N 2.91Å; A166-F216 HydrophobicContact CB-CD1 4.28Å; A166-A219 HydrophobicContact CB-CB 3.82Å; A166-L221 HydrophobicContact CB-CD1 4.3Å; A166-M258 HydrophobicContact CB-SD 4.39Å
167	L	98	Very high	95.8	Very high	29 Å²	29	27.1 Å²	27.1	15%	0.152	14%	0.137	C	C	.	.	H	α-helix	trans	-63.3	-44.5	174.1	-75.2	167.8	0	0	0	112	A163 I165 R170 D171 A219 F346 I368	A163-L167 WeakPolarHBondContact O-CB 3.4Å; A163-L167 VanDerWaalsContact O-CG 3.31Å; A163-L167 WeakPolarHBondContact O-CG 3.49Å; A163-L167 PolarHBondContact O-N 3.33Å; I165-L167 VanDerWaalsContact C-N 3.31Å; I165-L167 PolarHBondContact O-N 2.57Å; L167-R170 PolarHBondContact O-N 3.06Å; L167-D171 PolarHBondContact O-N 3Å; L167-D171 VanDerWaalsContact O-N 3.11Å; L167-A219 HydrophobicContact CD2-CB 4.15Å; L167-A219 HydrophobicContact CG-CB 4.32Å; L167-F346 HydrophobicContact CB-CE1 3.88Å; L167-F346 HydrophobicContact CB-CZ 3.69Å; L167-F346 HydrophobicContact CD1-CE1 4.29Å; L167-F346 HydrophobicContact CD1-CZ 4.3Å; L167-I368 HydrophobicContact CD1-CD1 3.79Å; L167-I368 HydrophobicContact CD1-CG1 4.36Å
168	G	97.6	Very high	95.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.2	-42.6	176.9	0	0	0	0	0	113.1	T164 I165 D171 R172 V341	T164-G168 PolarHBondContact O-N 3.46Å; T164-G168 VanDerWaalsContact O-N 3.08Å; I165-G168 PolarHBondContact O-N 3.14Å; I165-G168 VanDerWaalsContact O-N 3.13Å; G168-D171 PolarHBondContact O-N 3.13Å; G168-R172 WeakPolarHBondContact O-CB 3.16Å; G168-R172 PolarHBondContact O-N 2.79Å; G168-V341 CarbonylContact C-O 3.54Å; G168-V341 WeakPolarHBondContact CA-O 3.46Å
169	I	97.9	Very high	94.4	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.026	16%	0.155	C	C	.	.	H	α-helix	trans	-64	-44.8	177.4	-74.7	-67.6	0	0	0	111.8	I165 D171 R172 V173 V257 M258 W287 V341	I165-I169 HydrophobicContact CG2-CG1 4.09Å; I165-I169 WeakPolarHBondContact O-CB 3.24Å; I165-I169 WeakPolarHBondContact O-CG1 3.18Å; I165-I169 PolarHBondContact O-N 3.36Å; I169-D171 VanDerWaalsContact C-N 3.33Å; I169-D171 PolarHBondContact O-N 2.79Å; I169-R172 PolarHBondContact O-N 3.41Å; I169-V173 HydrophobicContact CG2-CG2 4.22Å; I169-V173 WeakPolarHBondContact O-CB 3.48Å; I169-V173 WeakPolarHBondContact O-CG2 3.45Å; I169-V173 PolarHBondContact O-N 3.49Å; I169-V257 HydrophobicContact CG2-CB 3.74Å; I169-V257 HydrophobicContact CG2-CG2 3.95Å; I169-M258 HydrophobicContact CG1-SD 4.44Å; I169-M258 HydrophobicContact CG2-CB 4.25Å; I169-W287 HydrophobicContact CD1-CB 3.43Å; I169-W287 VanDerWaalsContact CD1-CB 3.43Å; I169-W287 HydrophobicContact CD1-CD2 3.55Å; I169-W287 HydrophobicContact CD1-CE3 3.55Å; I169-W287 HydrophobicContact CD1-CG 3.54Å; I169-W287 HydrophobicContact CD1-CZ3 4.41Å; I169-W287 HydrophobicContact CG1-CB 3.96Å; I169-W287 HydrophobicContact CG1-CD2 4.14Å; I169-W287 HydrophobicContact CG1-CG 3.89Å; I169-V341 HydrophobicContact CD1-CG2 3.39Å; I169-V341 HydrophobicContact CG1-CG2 3.8Å
170	R	96.7	Very high	93.7	Very high	62 Å²	62	35.2 Å²	35.2	23%	0.234	17%	0.17	C	C	.	.	H	α-helix	trans	-56	-49.8	175.1	-178.4	-170.4	74.4	178.9	4.4	111.2	A166 L167 M174 V197 M200 A219 L221	A166-R170 WeakPolarHBondContact O-CB 3.46Å; A166-R170 PolarHBondContact O-N 2.91Å; L167-R170 PolarHBondContact O-N 3.06Å; R170-M174 WeakPolarHBondContact O-CB 3.4Å; R170-M174 PolarHBondContact O-N 2.93Å; R170-V197 HydrophobicContact CG-CG1 4.34Å; R170-V197 HydrophobicContact CG-CG2 4.02Å; R170-M200 HydrophobicContact CB-SD 4.36Å; R170-M200 HydrophobicContact CG-SD 3.88Å; R170-A219 WeakPolarHBondContact CD-O 3.29Å; R170-A219 PolarHBondContact NH1-O 3.48Å; R170-L221 HydrophobicContact CB-CD2 4.18Å; R170-L221 HydrophobicContact CG-CD2 4.05Å
171	D	95	Very high	92.7	Very high	29 Å²	29	37 Å²	37	16%	0.155	18%	0.183	C	C	.	.	H	α-helix	trans	-60.5	-48.9	179.8	178.1	73.7	0	0	0	111.7	L167 G168 I169 M174 K175 A345	L167-D171 PolarHBondContact O-N 3Å; L167-D171 VanDerWaalsContact O-N 3.11Å; G168-D171 PolarHBondContact O-N 3.13Å; I169-D171 VanDerWaalsContact C-N 3.33Å; I169-D171 PolarHBondContact O-N 2.79Å; D171-M174 PolarHBondContact O-N 3Å; D171-K175 VanDerWaalsContact CG-NZ 3.29Å; D171-K175 WeakPolarHBondContact O-CG 3.31Å; D171-K175 PolarHBondContact O-N 3.49Å; D171-K175 WeakPolarHBondContact OD1-CE 3.33Å; D171-K175 IonicContact OD1-NZ 3.49Å; D171-K175 PolarHBondContact OD1-NZ 3.12Å; D171-K175 VanDerWaalsContact OD1-NZ 3.11Å; D171-K175 VanDerWaalsContact OD2-CE 3.31Å; D171-K175 WeakPolarHBondContact OD2-CE 3.25Å; D171-K175 IonicContact OD2-NZ 2.85Å; D171-K175 PolarHBondContact OD2-NZ 2.84Å; D171-A345 HydrophobicContact CB-CB 3.71Å; D171-A345 WeakPolarHBondContact OD2-CA 3.26Å
172	R	95.1	Very high	91.3	Very high	61 Å²	61	39 Å²	39	23%	0.23	19%	0.193	C	C	.	.	H	α-helix	trans	-59	-53.3	178.7	177.1	-179.6	-72.2	-167	-17.7	112.1	G168 I169 M174 K175 T176 D338 T340 V341	G168-R172 WeakPolarHBondContact O-CB 3.16Å; G168-R172 PolarHBondContact O-N 2.79Å; I169-R172 PolarHBondContact O-N 3.41Å; R172-M174 VanDerWaalsContact C-N 3.28Å; R172-M174 PolarHBondContact O-N 3.36Å; R172-K175 PolarHBondContact O-N 3.1Å; R172-T176 PolarHBondContact O-N 3.06Å; R172-T176 PolarHBondContact O-OG1 3.28Å; R172-T176 VanDerWaalsContact O-OG1 3.1Å; R172-D338 IonicContact CZ-OD2 2.68Å; R172-D338 VanDerWaalsContact CZ-OD2 3.22Å; R172-D338 IonicContact NH1-OD2 2.76Å; R172-D338 PolarHBondContact NH1-OD2 2.89Å; R172-D338 IonicContact NH2-OD1 3.69Å; R172-D338 IonicContact NH2-OD2 3.49Å; R172-D338 PolarHBondContact NH2-OD2 3.14Å; R172-T340 PolarHBondContact NH2-O 3.3Å; R172-T340 PolarHBondContact NH2-OG1 3.43Å; R172-V341 HydrophobicContact CB-CG2 4.49Å
173	V	94.4	Very high	89.4	Confident	34 Å²	34	48.1 Å²	48.1	21%	0.206	24%	0.236	C	C	.	.	H	α-helix	trans	-63.5	-38.7	-177.6	175.2	0	0	0	0	110.6	I169 T176 Y177 M200 I255 V257	I169-V173 HydrophobicContact CG2-CG2 4.22Å; I169-V173 WeakPolarHBondContact O-CB 3.48Å; I169-V173 WeakPolarHBondContact O-CG2 3.45Å; I169-V173 PolarHBondContact O-N 3.49Å; V173-T176 PolarHBondContact O-N 3.13Å; V173-Y177 VanDerWaalsContact O-CB 3.27Å; V173-Y177 WeakPolarHBondContact O-CB 3.33Å; V173-Y177 PolarHBondContact O-N 2.69Å; V173-M200 HydrophobicContact CB-CE 3.97Å; V173-M200 HydrophobicContact CB-SD 4.47Å; V173-M200 HydrophobicContact CG1-CE 3.85Å; V173-M200 HydrophobicContact CG1-SD 4.48Å; V173-I255 HydrophobicContact CG1-CG2 3.98Å; V173-V257 HydrophobicContact CB-CG1 4.07Å; V173-V257 HydrophobicContact CG1-CG1 3.74Å; V173-V257 HydrophobicContact CG2-CB 4.13Å; V173-V257 HydrophobicContact CG2-CG1 3.89Å
174	M	92.2	Very high	87.4	Confident	28 Å²	28	53.5 Å²	53.5	14%	0.138	27%	0.273	C	S	.	.	H	α-helix	trans	-60.6	-49.9	177	-179.5	177.9	68.2	0	0	111.1	R170 D171 R172 Y177 I178 T193 V197 M200	R170-M174 WeakPolarHBondContact O-CB 3.4Å; R170-M174 PolarHBondContact O-N 2.93Å; D171-M174 PolarHBondContact O-N 3Å; R172-M174 VanDerWaalsContact C-N 3.28Å; R172-M174 PolarHBondContact O-N 3.36Å; M174-Y177 PolarHBondContact O-N 2.82Å; M174-I178 HydrophobicContact CG-CD1 4.06Å; M174-I178 VanDerWaalsContact O-CG1 3.3Å; M174-I178 WeakPolarHBondContact O-CG1 3.48Å; M174-I178 PolarHBondContact O-N 3.01Å; M174-I178 VanDerWaalsContact O-N 3.07Å; M174-T193 HydrophobicContact CE-CG2 4.32Å; M174-T193 HydrophobicContact CG-CG2 4.49Å; M174-T193 VanDerWaalsContact SD-CB 3.54Å; M174-T193 HydrophobicContact SD-CG2 3.68Å; M174-V197 HydrophobicContact SD-CG2 3.97Å; M174-M200 HydrophobicContact CB-CE 3.74Å
175	K	89.8	Confident	85.3	Confident	65 Å²	65	57.2 Å²	57.2	28%	0.283	30%	0.296	S	S	.	.	H	α-helix	trans	-59.8	-49.1	177.6	-73.4	171.7	177.9	163.3	0	111.4	D171 R172 Y177 I178 E179 I188	D171-K175 VanDerWaalsContact CG-NZ 3.29Å; D171-K175 WeakPolarHBondContact O-CG 3.31Å; D171-K175 PolarHBondContact O-N 3.49Å; D171-K175 WeakPolarHBondContact OD1-CE 3.33Å; D171-K175 IonicContact OD1-NZ 3.49Å; D171-K175 PolarHBondContact OD1-NZ 3.12Å; D171-K175 VanDerWaalsContact OD1-NZ 3.11Å; D171-K175 VanDerWaalsContact OD2-CE 3.31Å; D171-K175 WeakPolarHBondContact OD2-CE 3.25Å; D171-K175 IonicContact OD2-NZ 2.85Å; D171-K175 PolarHBondContact OD2-NZ 2.84Å; R172-K175 PolarHBondContact O-N 3.1Å; K175-Y177 VanDerWaalsContact C-N 3.32Å; K175-Y177 PolarHBondContact O-N 3.33Å; K175-I178 PolarHBondContact O-N 3.42Å; K175-E179 WeakPolarHBondContact O-CG 3.37Å; K175-E179 PolarHBondContact O-N 3.48Å; K175-I188 HydrophobicContact CG-CD1 4.16Å
176	T	89.2	Confident	83.3	Confident	63 Å²	63	66.8 Å²	66.8	39%	0.387	34%	0.337	S	S	.	.	H	α-helix	trans	-60.7	-39.5	177.8	-59.3	0	0	0	0	112.4	R172 V173 I178 E179 N180	R172-T176 PolarHBondContact O-N 3.06Å; R172-T176 PolarHBondContact O-OG1 3.28Å; R172-T176 VanDerWaalsContact O-OG1 3.1Å; V173-T176 PolarHBondContact O-N 3.13Å; T176-I178 PolarHBondContact O-N 3.34Å; T176-E179 PolarHBondContact O-N 2.95Å; T176-N180 WeakPolarHBondContact O-CB 3.48Å; T176-N180 VanDerWaalsContact O-CG 3.25Å; T176-N180 PolarHBondContact O-N 2.76Å; T176-N180 PolarHBondContact O-ND2 3.29Å
177	Y	87.2	Confident	81.5	Confident	73 Å²	73	72.6 Å²	72.6	29%	0.286	37%	0.367	S	S	.	.	H	α-helix	trans	-63.9	-41.7	177.5	-171.4	-81.6	0	0	0	111.7	V173 M174 K175 N180 T181 I196 R199 I255	V173-Y177 VanDerWaalsContact O-CB 3.27Å; V173-Y177 WeakPolarHBondContact O-CB 3.33Å; V173-Y177 PolarHBondContact O-N 2.69Å; M174-Y177 PolarHBondContact O-N 2.82Å; K175-Y177 VanDerWaalsContact C-N 3.32Å; K175-Y177 PolarHBondContact O-N 3.33Å; Y177-N180 PolarHBondContact O-N 3.4Å; Y177-T181 HydrophobicContact CD1-CG2 4.12Å; Y177-T181 HydrophobicContact CE1-CG2 3.64Å; Y177-T181 WeakPolarHBondContact O-CB 3.17Å; Y177-T181 WeakPolarHBondContact O-CG2 3.44Å; Y177-T181 PolarHBondContact O-N 3.25Å; Y177-T181 VanDerWaalsContact O-N 3.14Å; Y177-T181 PolarHBondContact O-OG1 2.87Å; Y177-I196 HydrophobicContact CD1-CD1 3.75Å; Y177-I196 HydrophobicContact CD1-CG1 3.93Å; Y177-I196 HydrophobicContact CD1-CG2 4.05Å; Y177-I196 HydrophobicContact CE1-CD1 4.37Å; Y177-I196 HydrophobicContact CE1-CG1 4.22Å; Y177-I196 HydrophobicContact CG-CG2 4.04Å; Y177-R199 PolarHBondContact OH-NH1 3.17Å; Y177-R199 PolarHBondContact OH-NH2 2.92Å; Y177-I255 HydrophobicContact CD2-CD1 3.69Å; Y177-I255 HydrophobicContact CE2-CD1 3.69Å; Y177-I255 HydrophobicContact CG-CD1 4.45Å
178	I	83.3	Confident	79.9	Confident	8 Å²	8	74.4 Å²	74.4	4%	0.041	38%	0.377	C	S	.	.	H	α-helix	trans	-67	-46.3	178.6	-66.5	167.9	0	0	0	110.7	M174 K175 T176 N180 T181 N182 I188 T193 I196	M174-I178 HydrophobicContact CG-CD1 4.06Å; M174-I178 VanDerWaalsContact O-CG1 3.3Å; M174-I178 WeakPolarHBondContact O-CG1 3.48Å; M174-I178 PolarHBondContact O-N 3.01Å; M174-I178 VanDerWaalsContact O-N 3.07Å; K175-I178 PolarHBondContact O-N 3.42Å; T176-I178 PolarHBondContact O-N 3.34Å; I178-N180 VanDerWaalsContact C-N 3.26Å; I178-N180 PolarHBondContact O-N 3.04Å; I178-T181 PolarHBondContact O-N 3.01Å; I178-T181 VanDerWaalsContact O-N 3.15Å; I178-T181 PolarHBondContact O-OG1 2.85Å; I178-N182 PolarHBondContact O-N 2.95Å; I178-I188 HydrophobicContact CD1-CB 4.39Å; I178-I188 HydrophobicContact CD1-CG1 4.17Å; I178-I188 HydrophobicContact CD1-CG2 3.71Å; I178-I188 HydrophobicContact CG2-CG1 4.02Å; I178-T193 HydrophobicContact CD1-CG2 4.34Å; I178-I196 HydrophobicContact CD1-CD1 3.92Å; I178-I196 HydrophobicContact CG1-CD1 3.43Å; I178-I196 VanDerWaalsContact CG1-CD1 3.43Å
179	E	82.8	Confident	78.6	Confident	122 Å²	122	77.1 Å²	77.1	57%	0.57	39%	0.391	S	S	*	.	H	α-helix	trans	-58.4	-38.7	177.7	-72.9	173.8	169.1	0	0	112.1	K175 T176	K175-E179 WeakPolarHBondContact O-CG 3.37Å; K175-E179 PolarHBondContact O-N 3.48Å; T176-E179 PolarHBondContact O-N 2.95Å
180	N	83.2	Confident	77.2	Confident	120 Å²	120	84.1 Å²	84.1	64%	0.642	42%	0.423	S	S	*	.	H	α-helix	trans	-76.5	-23.6	179.1	-71.3	-23.8	0	0	0	113.8	T176 Y177 I178	T176-N180 WeakPolarHBondContact O-CB 3.48Å; T176-N180 VanDerWaalsContact O-CG 3.25Å; T176-N180 PolarHBondContact O-N 2.76Å; T176-N180 PolarHBondContact O-ND2 3.29Å; Y177-N180 PolarHBondContact O-N 3.4Å; I178-N180 VanDerWaalsContact C-N 3.26Å; I178-N180 PolarHBondContact O-N 3.04Å
181	T	77.3	Confident	76.1	Confident	75 Å²	75	88.4 Å²	88.4	46%	0.46	45%	0.451	S	S	.	.	H	α-helix	trans	-97.2	-29.6	-176.8	48.3	0	0	0	0	113.7	Y177 I178 Q183	Y177-T181 HydrophobicContact CD1-CG2 4.12Å; Y177-T181 HydrophobicContact CE1-CG2 3.64Å; Y177-T181 WeakPolarHBondContact O-CB 3.17Å; Y177-T181 WeakPolarHBondContact O-CG2 3.44Å; Y177-T181 PolarHBondContact O-N 3.25Å; Y177-T181 VanDerWaalsContact O-N 3.14Å; Y177-T181 PolarHBondContact O-OG1 2.87Å; I178-T181 PolarHBondContact O-N 3.01Å; I178-T181 VanDerWaalsContact O-N 3.15Å; I178-T181 PolarHBondContact O-OG1 2.85Å; T181-Q183 PolarHBondContact O-N 3.5Å
182	N	67.9	Low	75.1	Confident	41 Å²	41	92 Å²	92	22%	0.219	47%	0.466	C	S	.	.			trans	-98.6	80.9	178.2	-74	-17.2	0	0	0	111.2	I178 S184	I178-N182 PolarHBondContact O-N 2.95Å; N182-S184 PolarHBondContact O-N 3.05Å
183	Q	57.3	Low	74.5	Confident	194 Å²	194	91 Å²	91	91%	0.907	47%	0.466	S	S	*	.	S	Bend	trans	-65.1	-21.7	178.1	-75.9	-175.1	-6	0	0	114.2	T181	T181-Q183 PolarHBondContact O-N 3.5Å
184	S	56.5	Low	73.9	Confident	114 Å²	114	91.6 Å²	91.6	80%	0.797	48%	0.479	S	S	*	.	S	Bend	trans	-100	-22.4	-169.6	38.7	0	0	0	0	115.2	N182	N182-S184 PolarHBondContact O-N 3.05Å
185	T	52.6	Low	73.6	Confident	78 Å²	78	93.7 Å²	93.7	48%	0.479	50%	0.497	S	S	.	.			trans	-147.4	120	173.9	48.1	0	0	0	0	109.2	I187	T185-I187 PolarHBondContact O-N 2.7Å
186	K	57.8	Low	73.6	Confident	201 Å²	201	90.9 Å²	90.9	87%	0.874	49%	0.485	S	S	*	.			trans	-66.4	22.7	172.2	-69.9	-173.8	175	-175.1	0	113.3
187	I	59.8	Low	73.8	Confident	122 Å²	122	88.8 Å²	88.8	63%	0.626	47%	0.472	S	S	*	.			trans	-91	123.9	-179.8	-60.5	176.5	0	0	0	107.4	T185 D189	T185-I187 PolarHBondContact O-N 2.7Å; I187-D189 PolarHBondContact O-N 3.49Å
188	I	64.3	Low	74.2	Confident	68 Å²	68	90 Å²	90	35%	0.349	48%	0.483	S	S	.	.			trans	-71.1	111.7	171.8	-67.5	165.8	0	0	0	107.9	K175 I178 E190 T193	K175-I188 HydrophobicContact CG-CD1 4.16Å; I178-I188 HydrophobicContact CD1-CB 4.39Å; I178-I188 HydrophobicContact CD1-CG1 4.17Å; I178-I188 HydrophobicContact CD1-CG2 3.71Å; I178-I188 HydrophobicContact CG2-CG1 4.02Å; I188-E190 HydrophobicContact CG2-CG 4.38Å; I188-E190 PolarHBondContact O-N 2.99Å; I188-E190 VanDerWaalsContact O-N 3.1Å; I188-T193 HydrophobicContact CG2-CG2 4.13Å
189	D	69.4	Low	74.8	Confident	57 Å²	57	93.1 Å²	93.1	31%	0.305	49%	0.494	S	S	.	.			trans	-73.8	96.6	165.9	-178.6	5.4	0	0	0	107.9	I187 N191 K192	I187-D189 PolarHBondContact O-N 3.49Å; D189-N191 PolarHBondContact O-N 2.96Å; D189-N191 WeakPolarHBondContact OD1-CB 3.33Å; D189-N191 PolarHBondContact OD1-N 3.44Å; D189-N191 PolarHBondContact OD1-ND2 3.45Å; D189-K192 HydrophobicContact CB-CD 4.36Å; D189-K192 HydrophobicContact CB-CG 4.4Å; D189-K192 PolarHBondContact O-N 3.14Å; D189-K192 VanDerWaalsContact OD2-CE 3.31Å; D189-K192 WeakPolarHBondContact OD2-CE 3.31Å
190	E	70.2	Confident	75.5	Confident	151 Å²	151	87.3 Å²	87.3	71%	0.706	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-54.2	-28	-178.4	-69	-172	167.7	0	0	112.2	I188 K192 T193	I188-E190 HydrophobicContact CG2-CG 4.38Å; I188-E190 PolarHBondContact O-N 2.99Å; I188-E190 VanDerWaalsContact O-N 3.1Å; E190-K192 PolarHBondContact O-N 3.33Å; E190-T193 WeakPolarHBondContact O-CB 3.27Å; E190-T193 WeakPolarHBondContact O-CG2 3.34Å; E190-T193 PolarHBondContact O-N 2.97Å; E190-T193 PolarHBondContact O-OG1 3.35Å
191	N	72.3	Confident	76.2	Confident	152 Å²	152	81.7 Å²	81.7	81%	0.813	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-66.4	-19.3	178.4	-57.1	-59.4	0	0	0	113.3	D189	D189-N191 PolarHBondContact O-N 2.96Å; D189-N191 WeakPolarHBondContact OD1-CB 3.33Å; D189-N191 PolarHBondContact OD1-N 3.44Å; D189-N191 PolarHBondContact OD1-ND2 3.45Å
192	K	74.5	Confident	77.2	Confident	106 Å²	106	78.1 Å²	78.1	46%	0.461	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-95.2	-9	177.8	-65.9	-177.5	-175.5	176.5	0	113.7	D189 E190 G194 S195 I196	D189-K192 HydrophobicContact CB-CD 4.36Å; D189-K192 HydrophobicContact CB-CG 4.4Å; D189-K192 PolarHBondContact O-N 3.14Å; D189-K192 VanDerWaalsContact OD2-CE 3.31Å; D189-K192 WeakPolarHBondContact OD2-CE 3.31Å; E190-K192 PolarHBondContact O-N 3.33Å; K192-G194 VanDerWaalsContact C-N 3.32Å; K192-G194 PolarHBondContact O-N 3.27Å; K192-S195 PolarHBondContact O-N 3.49Å; K192-S195 PolarHBondContact O-OG 2.9Å; K192-I196 WeakPolarHBondContact O-CG1 3.28Å; K192-I196 PolarHBondContact O-N 3.33Å
193	T	81.6	Confident	78.7	Confident	38 Å²	38	76.2 Å²	76.2	23%	0.233	41%	0.405	C	S	.	.	H	α-helix	trans	-59.8	-43.6	-176.4	57	0	0	0	0	111.9	M174 I178 I188 E190 S195 I196 V197	M174-T193 HydrophobicContact CE-CG2 4.32Å; M174-T193 HydrophobicContact CG-CG2 4.49Å; M174-T193 VanDerWaalsContact SD-CB 3.54Å; M174-T193 HydrophobicContact SD-CG2 3.68Å; I178-T193 HydrophobicContact CD1-CG2 4.34Å; I188-T193 HydrophobicContact CG2-CG2 4.13Å; E190-T193 WeakPolarHBondContact O-CB 3.27Å; E190-T193 WeakPolarHBondContact O-CG2 3.34Å; E190-T193 PolarHBondContact O-N 2.97Å; E190-T193 PolarHBondContact O-OG1 3.35Å; T193-S195 VanDerWaalsContact C-N 3.34Å; T193-S195 PolarHBondContact O-N 3.4Å; T193-I196 PolarHBondContact O-N 2.99Å; T193-I196 VanDerWaalsContact O-N 3.14Å; T193-V197 WeakPolarHBondContact O-CG2 3.24Å; T193-V197 PolarHBondContact O-N 3.38Å
194	G	82.4	Confident	80.7	Confident	48 Å²	48	67 Å²	67	50%	0.495	36%	0.362	S	S	.	.	H	α-helix	trans	-58	-41	178.7	0	0	0	0	0	113.7	K192 I196 V197 D198	K192-G194 VanDerWaalsContact C-N 3.32Å; K192-G194 PolarHBondContact O-N 3.27Å; G194-I196 VanDerWaalsContact C-N 3.32Å; G194-I196 PolarHBondContact O-N 3.18Å; G194-V197 PolarHBondContact O-N 3.18Å; G194-D198 WeakPolarHBondContact O-CB 3.42Å; G194-D198 PolarHBondContact O-N 2.94Å
195	S	85.4	Confident	82.6	Confident	71 Å²	71	61.5 Å²	61.5	50%	0.497	32%	0.324	S	S	.	.	H	α-helix	trans	-74.5	-21	179.8	68.5	0	0	0	0	113.5	K192 T193 R199	K192-S195 PolarHBondContact O-N 3.49Å; K192-S195 PolarHBondContact O-OG 2.9Å; T193-S195 VanDerWaalsContact C-N 3.34Å; T193-S195 PolarHBondContact O-N 3.4Å; S195-R199 PolarHBondContact O-NE 2.89Å
196	I	91	Very high	84.6	Confident	7 Å²	7	59.8 Å²	59.8	4%	0.036	31%	0.312	C	S	.	.	H	α-helix	trans	-78.3	-47.8	171.7	-59.2	166.8	0	0	0	109.6	Y177 I178 K192 T193 G194 D198 R199 M200 I255	Y177-I196 HydrophobicContact CD1-CD1 3.75Å; Y177-I196 HydrophobicContact CD1-CG1 3.93Å; Y177-I196 HydrophobicContact CD1-CG2 4.05Å; Y177-I196 HydrophobicContact CE1-CD1 4.37Å; Y177-I196 HydrophobicContact CE1-CG1 4.22Å; Y177-I196 HydrophobicContact CG-CG2 4.04Å; I178-I196 HydrophobicContact CD1-CD1 3.92Å; I178-I196 HydrophobicContact CG1-CD1 3.43Å; I178-I196 VanDerWaalsContact CG1-CD1 3.43Å; K192-I196 WeakPolarHBondContact O-CG1 3.28Å; K192-I196 PolarHBondContact O-N 3.33Å; T193-I196 PolarHBondContact O-N 2.99Å; T193-I196 VanDerWaalsContact O-N 3.14Å; G194-I196 VanDerWaalsContact C-N 3.32Å; G194-I196 PolarHBondContact O-N 3.18Å; I196-D198 VanDerWaalsContact C-N 3.29Å; I196-D198 PolarHBondContact O-N 3.43Å; I196-R199 PolarHBondContact O-N 3.2Å; I196-M200 HydrophobicContact CG2-CE 3.85Å; I196-M200 PolarHBondContact O-N 3.33Å; I196-I255 HydrophobicContact CG2-CD1 4.26Å
197	V	94.1	Very high	86.4	Confident	19 Å²	19	50.8 Å²	50.8	12%	0.115	27%	0.273	C	S	.	.	H	α-helix	trans	-60.3	-39.6	178.3	175.3	0	0	0	0	111.1	R170 M174 T193 G194 R199 M200 M220	R170-V197 HydrophobicContact CG-CG1 4.34Å; R170-V197 HydrophobicContact CG-CG2 4.02Å; M174-V197 HydrophobicContact SD-CG2 3.97Å; T193-V197 WeakPolarHBondContact O-CG2 3.24Å; T193-V197 PolarHBondContact O-N 3.38Å; G194-V197 PolarHBondContact O-N 3.18Å; V197-R199 PolarHBondContact O-N 3.06Å; V197-R199 VanDerWaalsContact O-N 3.09Å; V197-M200 WeakPolarHBondContact O-CB 3.14Å; V197-M200 PolarHBondContact O-N 3.06Å; V197-M220 HydrophobicContact CG1-CB 4.43Å
198	D	94.1	Very high	88.1	Confident	99 Å²	99	45.6 Å²	45.6	53%	0.529	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-11.7	174.8	-174.3	52.2	0	0	0	113.5	G194 I196 K222	G194-D198 WeakPolarHBondContact O-CB 3.42Å; G194-D198 PolarHBondContact O-N 2.94Å; I196-D198 VanDerWaalsContact C-N 3.29Å; I196-D198 PolarHBondContact O-N 3.43Å; D198-K222 WeakPolarHBondContact O-CE 3.49Å; D198-K222 PolarHBondContact O-NZ 3.5Å; D198-K222 WeakPolarHBondContact OD1-CE 3.44Å; D198-K222 IonicContact OD1-NZ 3.77Å; D198-K222 PolarHBondContact OD1-NZ 2.99Å; D198-K222 IonicContact OD2-NZ 3.74Å
199	R	95.7	Very high	89.7	Confident	72 Å²	72	45.3 Å²	45.3	27%	0.272	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-9.5	172	-68.8	-175.7	-64.9	146.7	4.3	113.3	Y177 S195 I196 V197 L254 I255	Y177-R199 PolarHBondContact OH-NH1 3.17Å; Y177-R199 PolarHBondContact OH-NH2 2.92Å; S195-R199 PolarHBondContact O-NE 2.89Å; I196-R199 PolarHBondContact O-N 3.2Å; V197-R199 PolarHBondContact O-N 3.06Å; V197-R199 VanDerWaalsContact O-N 3.09Å; R199-L254 CarbonylContact O-C 3.51Å; R199-L254 VanDerWaalsContact O-CA 3.31Å; R199-L254 WeakPolarHBondContact O-CA 3.37Å; R199-L254 WeakPolarHBondContact O-CB 3.47Å; R199-I255 HydrophobicContact CB-CD1 4.06Å; R199-I255 HydrophobicContact CB-CG1 4.16Å; R199-I255 PolarHBondContact O-N 3.23Å
200	M	98	Very high	91	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	135.2	-177.9	-62.5	-173.8	-174.4	0	0	111.9	R170 V173 M174 I196 V197 L221 K222 I255 V257	R170-M200 HydrophobicContact CB-SD 4.36Å; R170-M200 HydrophobicContact CG-SD 3.88Å; V173-M200 HydrophobicContact CB-CE 3.97Å; V173-M200 HydrophobicContact CB-SD 4.47Å; V173-M200 HydrophobicContact CG1-CE 3.85Å; V173-M200 HydrophobicContact CG1-SD 4.48Å; M174-M200 HydrophobicContact CB-CE 3.74Å; I196-M200 HydrophobicContact CG2-CE 3.85Å; I196-M200 PolarHBondContact O-N 3.33Å; V197-M200 WeakPolarHBondContact O-CB 3.14Å; V197-M200 PolarHBondContact O-N 3.06Å; M200-L221 HydrophobicContact CB-CD2 3.56Å; M200-L221 HydrophobicContact CG-CD2 4.37Å; M200-L221 HydrophobicContact SD-CD2 3.93Å; M200-K222 PolarHBondContact O-N 3.18Å; M200-I255 WeakPolarHBondContact CA-O 3.13Å; M200-V257 HydrophobicContact CB-CG1 3.99Å; M200-V257 HydrophobicContact CB-CG2 4.31Å; M200-V257 HydrophobicContact CG-CG1 3.88Å; M200-V257 HydrophobicContact SD-CG1 4.03Å
201	V	98.6	Very high	92.2	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	138.5	178.5	61.5	0	0	0	0	111.5	Y203 K222 H224 D249 L254 I255 P256 V257	V201-Y203 HydrophobicContact CG1-CE2 4.11Å; V201-Y203 WeakPolarHBondContact CG1-OH 3.31Å; V201-Y203 HydrophobicContact CG2-CE1 4.33Å; V201-K222 CarbonylContact C-O 3.15Å; V201-K222 WeakPolarHBondContact CA-O 3.31Å; V201-H224 HydrophobicContact CG2-CB 3.88Å; V201-D249 HydrophobicContact CG1-CB 4.25Å; V201-L254 HydrophobicContact CB-CD1 4.49Å; V201-L254 HydrophobicContact CG1-CB 3.99Å; V201-I255 PolarHBondContact N-O 3.36Å; V201-P256 HydrophobicContact CG1-CG 4.42Å; V201-V257 PolarHBondContact O-N 3.26Å
202	V	98.8	Very high	93.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	152.3	177.6	-66.9	0	0	0	0	111.1	F216 L221 K222 C223 H224 V257 M258	V202-F216 HydrophobicContact CB-CD1 4.17Å; V202-F216 HydrophobicContact CB-CD2 4.29Å; V202-F216 HydrophobicContact CB-CE1 3.94Å; V202-F216 HydrophobicContact CB-CE2 4.04Å; V202-F216 HydrophobicContact CB-CG 4.34Å; V202-F216 HydrophobicContact CB-CZ 3.86Å; V202-F216 HydrophobicContact CG1-CD1 4.39Å; V202-F216 HydrophobicContact CG1-CE1 4.27Å; V202-F216 HydrophobicContact CG2-CB 3.85Å; V202-F216 HydrophobicContact CG2-CD1 3.61Å; V202-F216 HydrophobicContact CG2-CD2 3.35Å; V202-F216 HydrophobicContact CG2-CE1 3.85Å; V202-F216 HydrophobicContact CG2-CE2 3.58Å; V202-F216 HydrophobicContact CG2-CG 3.35Å; V202-F216 HydrophobicContact CG2-CZ 3.82Å; V202-L221 HydrophobicContact CG1-CB 4.15Å; V202-L221 HydrophobicContact CG1-CD1 3.68Å; V202-L221 HydrophobicContact CG1-CG 4.46Å; V202-L221 HydrophobicContact CG2-CB 4Å; V202-K222 VanDerWaalsContact CG2-O 3.27Å; V202-K222 WeakPolarHBondContact CG2-O 3.44Å; V202-K222 PolarHBondContact N-O 3Å; V202-C223 HydrophobicContact CG2-CB 4.25Å; V202-C223 CarbonylContact O-C 3.59Å; V202-C223 WeakPolarHBondContact O-CA 3.42Å; V202-H224 PolarHBondContact O-N 3.01Å; V202-V257 HydrophobicContact CG1-CG2 3.47Å; V202-V257 VanDerWaalsContact CG1-CG2 3.47Å; V202-M258 CarbonylContact C-O 3.6Å; V202-M258 WeakPolarHBondContact CA-O 3.5Å; V202-M258 WeakPolarHBondContact CB-O 3.33Å; V202-M258 HydrophobicContact CG1-CB 3.87Å
203	Y	98.8	Very high	94.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	139.7	-172.2	-52	-92.6	0	0	0	110.9	V201 H224 I226 L242 A245 I246 P256 M258 C259 V260 I286	V201-Y203 HydrophobicContact CG1-CE2 4.11Å; V201-Y203 WeakPolarHBondContact CG1-OH 3.31Å; V201-Y203 HydrophobicContact CG2-CE1 4.33Å; Y203-H224 HydrophobicContact CD1-CB 3.73Å; Y203-H224 HydrophobicContact CE1-CB 3.83Å; Y203-I226 HydrophobicContact CD1-CD1 4.35Å; Y203-L242 HydrophobicContact CD1-CD1 3.85Å; Y203-L242 HydrophobicContact CD2-CD1 4.4Å; Y203-L242 HydrophobicContact CG-CD1 3.68Å; Y203-A245 HydrophobicContact CD1-CB 4.37Å; Y203-A245 HydrophobicContact CE1-CB 4.12Å; Y203-I246 HydrophobicContact CD1-CG1 4.31Å; Y203-I246 HydrophobicContact CD2-CG1 4.25Å; Y203-I246 HydrophobicContact CE1-CG1 3.83Å; Y203-I246 HydrophobicContact CE2-CG1 3.8Å; Y203-P256 HydrophobicContact CE2-CB 3.8Å; Y203-M258 PolarHBondContact N-O 3.19Å; Y203-C259 CarbonylContact O-C 3.51Å; Y203-C259 VanDerWaalsContact O-CA 3.31Å; Y203-C259 WeakPolarHBondContact O-CA 3.31Å; Y203-V260 PolarHBondContact O-N 3.46Å; Y203-I286 HydrophobicContact CE2-CD1 4.39Å
204	T	98.5	Very high	95.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	169.4	168.1	-161.4	0	0	0	0	109.1	A208 V212 F216 H224 L225 I226 V260	T204-A208 HydrophobicContact CG2-CB 3.89Å; T204-A208 WeakPolarHBondContact OG1-CB 3.44Å; T204-V212 HydrophobicContact CG2-CG1 3.92Å; T204-F216 HydrophobicContact CG2-CE2 3.89Å; T204-H224 PolarHBondContact N-O 3.19Å; T204-L225 HydrophobicContact CG2-CD2 3.7Å; T204-L225 WeakPolarHBondContact O-CA 3.36Å; T204-I226 PolarHBondContact O-N 3.26Å; T204-V260 PolarHBondContact OG1-O 2.88Å
205	S	96.8	Very high	96	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	154.9	178.2	127.6	0	0	0	0	111.5	Q207 A208 I226 E272	S205-Q207 PolarHBondContact O-N 3.47Å; S205-Q207 WeakPolarHBondContact OG-CA 3.41Å; S205-Q207 WeakPolarHBondContact OG-CB 3.38Å; S205-Q207 PolarHBondContact OG-N 2.99Å; S205-A208 WeakPolarHBondContact O-CB 3.41Å; S205-A208 PolarHBondContact O-N 3.13Å; S205-A208 PolarHBondContact OG-N 2.89Å; S205-I226 WeakPolarHBondContact CA-O 3.44Å; S205-E272 WeakPolarHBondContact CB-OE1 3.11Å; S205-E272 PolarHBondContact OG-OE1 3.42Å
206	D	95	Very high	96.6	Very high	41 Å²	41	30.5 Å²	30.5	22%	0.219	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-13.2	169.9	73.4	-45	0	0	0	113.3	I226 T228	D206-I226 PolarHBondContact N-O 2.94Å; D206-T228 VanDerWaalsContact OD1-CB 3.25Å; D206-T228 WeakPolarHBondContact OD1-CB 3.46Å; D206-T228 WeakPolarHBondContact OD1-CG2 3.31Å; D206-T228 PolarHBondContact OD1-N 2.7Å; D206-T228 PolarHBondContact OD1-OG1 2.99Å; D206-T228 PolarHBondContact OD2-OG1 3.13Å
207	Q	95.4	Very high	96.9	Very high	13 Å²	13	36.2 Å²	36.2	6%	0.061	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-2.3	173.4	-53.7	-55.6	-50.2	0	0	113.8	S205 T228 L235 T265	S205-Q207 PolarHBondContact O-N 3.47Å; S205-Q207 WeakPolarHBondContact OG-CA 3.41Å; S205-Q207 WeakPolarHBondContact OG-CB 3.38Å; S205-Q207 PolarHBondContact OG-N 2.99Å; Q207-T228 HydrophobicContact CB-CG2 4.43Å; Q207-T228 HydrophobicContact CG-CG2 3.7Å; Q207-T228 WeakPolarHBondContact CG-OG1 3.18Å; Q207-L235 HydrophobicContact CG-CB 4.23Å; Q207-L235 HydrophobicContact CG-CD1 3.92Å; Q207-T265 HydrophobicContact CB-CG2 4Å
208	A	96.3	Very high	97	Very high	12 Å²	12	40.3 Å²	40.3	10%	0.099	20%	0.198	C	C	.	.	S	Bend	trans	-59.1	150.5	174	0	0	0	0	0	110.8	T204 S205 S210 V212	T204-A208 HydrophobicContact CG2-CB 3.89Å; T204-A208 WeakPolarHBondContact OG1-CB 3.44Å; S205-A208 WeakPolarHBondContact O-CB 3.41Å; S205-A208 PolarHBondContact O-N 3.13Å; S205-A208 PolarHBondContact OG-N 2.89Å; A208-S210 PolarHBondContact O-N 2.94Å; A208-V212 HydrophobicContact CB-CB 4.34Å; A208-V212 HydrophobicContact CB-CG2 4.37Å
209	H	97.4	Very high	97.1	Very high	62 Å²	62	35.6 Å²	35.6	29%	0.287	17%	0.173	S	C	.	.			trans	-62.4	143.8	177.4	-175.8	-109	0	0	0	110.3	S211 V212 T266	H209-S211 WeakPolarHBondContact ND1-CB 2.68Å; H209-S211 PolarHBondContact ND1-N 3.03Å; H209-S211 PolarHBondContact ND1-OG 3.35Å; H209-S211 PolarHBondContact O-N 3.42Å; H209-V212 WeakPolarHBondContact O-CB 3.37Å; H209-V212 PolarHBondContact O-N 3.22Å; H209-T266 PolarHBondContact CD2-OG1 3.06Å
210	S	96.3	Very high	97.2	Very high	85 Å²	85	39 Å²	39	59%	0.594	19%	0.194	S	C	*	.	H	α-helix	trans	-55.7	-21.7	-179.1	60.3	0	0	0	0	113.7	A208 V212 R214	A208-S210 PolarHBondContact O-N 2.94Å; S210-V212 VanDerWaalsContact C-N 3.28Å; S210-V212 PolarHBondContact O-N 3.11Å; S210-R214 WeakPolarHBondContact O-CB 3.44Å; S210-R214 PolarHBondContact O-N 2.92Å
211	S	95.6	Very high	97.1	Very high	5 Å²	5	39.3 Å²	39.3	4%	0.035	20%	0.196	C	C	.	.	H	α-helix	trans	-63.8	-29	172.7	64.7	0	0	0	0	114.4	S159 H209 R214 A215	S159-S211 WeakPolarHBondContact OG-CB 3.45Å; H209-S211 WeakPolarHBondContact ND1-CB 2.68Å; H209-S211 PolarHBondContact ND1-N 3.03Å; H209-S211 PolarHBondContact ND1-OG 3.35Å; H209-S211 PolarHBondContact O-N 3.42Å; S211-R214 PolarHBondContact O-N 3.36Å; S211-A215 VanDerWaalsContact O-CB 3.3Å; S211-A215 WeakPolarHBondContact O-CB 3.48Å; S211-A215 PolarHBondContact O-N 2.94Å
212	V	97.9	Very high	97.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-68	-50.3	178.9	177.9	0	0	0	0	109.5	T204 A208 H209 S210 R214 A215 F216 V260	T204-V212 HydrophobicContact CG2-CG1 3.92Å; A208-V212 HydrophobicContact CB-CB 4.34Å; A208-V212 HydrophobicContact CB-CG2 4.37Å; H209-V212 WeakPolarHBondContact O-CB 3.37Å; H209-V212 PolarHBondContact O-N 3.22Å; S210-V212 VanDerWaalsContact C-N 3.28Å; S210-V212 PolarHBondContact O-N 3.11Å; V212-R214 VanDerWaalsContact C-N 3.29Å; V212-R214 PolarHBondContact O-N 3.13Å; V212-A215 WeakPolarHBondContact O-CB 3.19Å; V212-A215 PolarHBondContact O-N 3.25Å; V212-A215 VanDerWaalsContact O-N 3.12Å; V212-F216 HydrophobicContact CG1-CD2 4.25Å; V212-F216 HydrophobicContact CG1-CE1 4.23Å; V212-F216 HydrophobicContact CG1-CE2 3.57Å; V212-F216 HydrophobicContact CG1-CZ 3.56Å; V212-F216 WeakPolarHBondContact O-CD2 3.27Å; V212-F216 VanDerWaalsContact O-CG 3.29Å; V212-F216 WeakPolarHBondContact O-CG 3.29Å; V212-F216 PolarHBondContact O-N 2.87Å; V212-V260 HydrophobicContact CG1-CB 3.81Å; V212-V260 HydrophobicContact CG1-CG1 3.89Å; V212-V260 HydrophobicContact CG1-CG2 3.9Å; V212-V260 HydrophobicContact CG2-CG1 3.97Å
213	I	96.8	Very high	97.1	Very high	47 Å²	47	45.5 Å²	45.5	24%	0.241	23%	0.227	C	C	.	.	H	α-helix	trans	-60.4	-42.1	174.5	-57.1	175.2	0	0	0	110.2	A215 F216 H217 L225	I213-A215 VanDerWaalsContact C-N 3.34Å; I213-A215 PolarHBondContact O-N 3.01Å; I213-F216 PolarHBondContact O-N 3.3Å; I213-H217 PolarHBondContact O-N 2.95Å; I213-L225 HydrophobicContact CD1-CD1 4.25Å; I213-L225 HydrophobicContact CD1-CD2 3.96Å; I213-L225 HydrophobicContact CG1-CD2 4.21Å
214	R	97.7	Very high	97	Very high	174 Å²	174	48.4 Å²	48.4	66%	0.657	24%	0.24	S	C	*	.	H	α-helix	trans	-61.4	-40.2	175.4	-173.5	176.8	-179.4	175.6	0.8	112.6	S210 S211 V212 F216 H217 L218	S210-R214 WeakPolarHBondContact O-CB 3.44Å; S210-R214 PolarHBondContact O-N 2.92Å; S211-R214 PolarHBondContact O-N 3.36Å; V212-R214 VanDerWaalsContact C-N 3.29Å; V212-R214 PolarHBondContact O-N 3.13Å; R214-F216 VanDerWaalsContact C-N 3.34Å; R214-H217 PolarHBondContact O-N 2.83Å; R214-L218 HydrophobicContact CG-CD1 4.37Å; R214-L218 WeakPolarHBondContact O-CG 3.4Å; R214-L218 PolarHBondContact O-N 3.37Å
215	A	98.1	Very high	97	Very high	2 Å²	2	51.4 Å²	51.4	2%	0.017	26%	0.256	C	S	.	.	H	α-helix	trans	-62.1	-43.1	176.2	0	0	0	0	0	111.3	C162 A163 S211 V212 I213 L218 A219	C162-A215 HydrophobicContact CB-CB 3.91Å; A163-A215 HydrophobicContact CB-CB 3.91Å; S211-A215 VanDerWaalsContact O-CB 3.3Å; S211-A215 WeakPolarHBondContact O-CB 3.48Å; S211-A215 PolarHBondContact O-N 2.94Å; V212-A215 WeakPolarHBondContact O-CB 3.19Å; V212-A215 PolarHBondContact O-N 3.25Å; V212-A215 VanDerWaalsContact O-N 3.12Å; I213-A215 VanDerWaalsContact C-N 3.34Å; I213-A215 PolarHBondContact O-N 3.01Å; A215-L218 PolarHBondContact O-N 3.25Å; A215-A219 WeakPolarHBondContact O-CB 3.32Å; A215-A219 PolarHBondContact O-N 2.98Å
216	F	98	Very high	97	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.6	-41.5	175.5	-58.5	-26.5	0	0	0	112.4	A166 V202 T204 V212 I213 R214 A219 M220 L221 C223 M258 V260	A166-F216 HydrophobicContact CB-CD1 4.28Å; V202-F216 HydrophobicContact CB-CD1 4.17Å; V202-F216 HydrophobicContact CB-CD2 4.29Å; V202-F216 HydrophobicContact CB-CE1 3.94Å; V202-F216 HydrophobicContact CB-CE2 4.04Å; V202-F216 HydrophobicContact CB-CG 4.34Å; V202-F216 HydrophobicContact CB-CZ 3.86Å; V202-F216 HydrophobicContact CG1-CD1 4.39Å; V202-F216 HydrophobicContact CG1-CE1 4.27Å; V202-F216 HydrophobicContact CG2-CB 3.85Å; V202-F216 HydrophobicContact CG2-CD1 3.61Å; V202-F216 HydrophobicContact CG2-CD2 3.35Å; V202-F216 HydrophobicContact CG2-CE1 3.85Å; V202-F216 HydrophobicContact CG2-CE2 3.58Å; V202-F216 HydrophobicContact CG2-CG 3.35Å; V202-F216 HydrophobicContact CG2-CZ 3.82Å; T204-F216 HydrophobicContact CG2-CE2 3.89Å; V212-F216 HydrophobicContact CG1-CD2 4.25Å; V212-F216 HydrophobicContact CG1-CE1 4.23Å; V212-F216 HydrophobicContact CG1-CE2 3.57Å; V212-F216 HydrophobicContact CG1-CZ 3.56Å; V212-F216 WeakPolarHBondContact O-CD2 3.27Å; V212-F216 VanDerWaalsContact O-CG 3.29Å; V212-F216 WeakPolarHBondContact O-CG 3.29Å; V212-F216 PolarHBondContact O-N 2.87Å; I213-F216 PolarHBondContact O-N 3.3Å; R214-F216 VanDerWaalsContact C-N 3.34Å; F216-A219 CarbonylContact O-C 3.56Å; F216-A219 PolarHBondContact O-N 3.44Å; F216-M220 PolarHBondContact O-N 3.36Å; F216-L221 PolarHBondContact O-N 3.11Å; F216-C223 HydrophobicContact CD2-CB 3.92Å; F216-M258 HydrophobicContact CE1-CE 4.46Å; F216-M258 HydrophobicContact CE1-SD 4.4Å; F216-V260 HydrophobicContact CE1-CG2 3.97Å; F216-V260 HydrophobicContact CZ-CB 4.3Å; F216-V260 HydrophobicContact CZ-CG2 3.61Å
217	H	96.6	Very high	97	Very high	127 Å²	127	54.4 Å²	54.4	59%	0.588	27%	0.269	S	S	*	.	H	α-helix	trans	-62.3	-43.9	173.8	-69	171.6	0	0	0	112.5	I213 R214 A219 M220	I213-H217 PolarHBondContact O-N 2.95Å; R214-H217 PolarHBondContact O-N 2.83Å; H217-A219 PolarHBondContact O-N 3.47Å; H217-M220 PolarHBondContact O-N 3Å
218	L	96.8	Very high	96.9	Very high	105 Å²	105	54 Å²	54	55%	0.55	27%	0.267	S	S	.	.	H	α-helix	trans	-61.8	-32.3	175.2	-71.9	171.3	0	0	0	112.1	A163 R214 A215 M220	A163-L218 HydrophobicContact CB-CD1 4.34Å; R214-L218 HydrophobicContact CG-CD1 4.37Å; R214-L218 WeakPolarHBondContact O-CG 3.4Å; R214-L218 PolarHBondContact O-N 3.37Å; A215-L218 PolarHBondContact O-N 3.25Å; L218-M220 VanDerWaalsContact C-N 3.32Å
219	A	96.7	Very high	96.7	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-4.1	174.3	0	0	0	0	0	113.8	A166 L167 R170 A215 F216 H217 L221	A166-A219 HydrophobicContact CB-CB 3.82Å; L167-A219 HydrophobicContact CD2-CB 4.15Å; L167-A219 HydrophobicContact CG-CB 4.32Å; R170-A219 WeakPolarHBondContact CD-O 3.29Å; R170-A219 PolarHBondContact NH1-O 3.48Å; A215-A219 WeakPolarHBondContact O-CB 3.32Å; A215-A219 PolarHBondContact O-N 2.98Å; F216-A219 CarbonylContact O-C 3.56Å; F216-A219 PolarHBondContact O-N 3.44Å; H217-A219 PolarHBondContact O-N 3.47Å; A219-L221 VanDerWaalsContact C-N 3.31Å; A219-L221 HydrophobicContact CB-CD1 3.77Å; A219-L221 HydrophobicContact CB-CG 3.87Å; A219-L221 PolarHBondContact O-N 3.3Å
220	M	96.5	Very high	96.3	Very high	143 Å²	143	59.7 Å²	59.7	70%	0.704	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	38.7	-174.2	-55	178.5	171.6	0	0	113.5	V197 F216 H217 L218	V197-M220 HydrophobicContact CG1-CB 4.43Å; F216-M220 PolarHBondContact O-N 3.36Å; H217-M220 PolarHBondContact O-N 3Å; L218-M220 VanDerWaalsContact C-N 3.32Å
221	L	97.6	Very high	95.9	Very high	7 Å²	7	61.8 Å²	61.8	4%	0.037	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-103.9	138	179.3	-62.1	173.2	0	0	0	110.6	A166 R170 M200 V202 F216 A219 C223 V257	A166-L221 HydrophobicContact CB-CD1 4.3Å; R170-L221 HydrophobicContact CB-CD2 4.18Å; R170-L221 HydrophobicContact CG-CD2 4.05Å; M200-L221 HydrophobicContact CB-CD2 3.56Å; M200-L221 HydrophobicContact CG-CD2 4.37Å; M200-L221 HydrophobicContact SD-CD2 3.93Å; V202-L221 HydrophobicContact CG1-CB 4.15Å; V202-L221 HydrophobicContact CG1-CD1 3.68Å; V202-L221 HydrophobicContact CG1-CG 4.46Å; V202-L221 HydrophobicContact CG2-CB 4Å; F216-L221 PolarHBondContact O-N 3.11Å; A219-L221 VanDerWaalsContact C-N 3.31Å; A219-L221 HydrophobicContact CB-CD1 3.77Å; A219-L221 HydrophobicContact CB-CG 3.87Å; A219-L221 PolarHBondContact O-N 3.3Å; L221-C223 PolarHBondContact O-N 3.37Å; L221-V257 HydrophobicContact CD1-CG2 4.38Å; L221-V257 HydrophobicContact CD2-CG2 4.47Å
222	K	97.7	Very high	95.6	Very high	92 Å²	92	64.5 Å²	64.5	40%	0.4	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	131.8	172.2	-62.7	-175.4	-154.6	-94.3	0	109	D198 M200 V201 V202	D198-K222 WeakPolarHBondContact O-CE 3.49Å; D198-K222 PolarHBondContact O-NZ 3.5Å; D198-K222 WeakPolarHBondContact OD1-CE 3.44Å; D198-K222 IonicContact OD1-NZ 3.77Å; D198-K222 PolarHBondContact OD1-NZ 2.99Å; D198-K222 IonicContact OD2-NZ 3.74Å; M200-K222 PolarHBondContact O-N 3.18Å; V201-K222 CarbonylContact C-O 3.15Å; V201-K222 WeakPolarHBondContact CA-O 3.31Å; V202-K222 VanDerWaalsContact CG2-O 3.27Å; V202-K222 WeakPolarHBondContact CG2-O 3.44Å; V202-K222 PolarHBondContact N-O 3Å
223	C	98	Very high	95.2	Very high	40 Å²	40	69 Å²	69	27%	0.27	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	122.8	177	-176.8	0	0	0	0	110.6	V202 F216 L221	V202-C223 HydrophobicContact CG2-CB 4.25Å; V202-C223 CarbonylContact O-C 3.59Å; V202-C223 WeakPolarHBondContact O-CA 3.42Å; F216-C223 HydrophobicContact CD2-CB 3.92Å; L221-C223 PolarHBondContact O-N 3.37Å
224	H	98	Very high	94.9	Very high	61 Å²	61	70.4 Å²	70.4	28%	0.282	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	106.5	166.2	-164.2	143	0	0	0	108.3	V201 V202 Y203 T204 I226 D249	V201-H224 HydrophobicContact CG2-CB 3.88Å; V202-H224 PolarHBondContact O-N 3.01Å; Y203-H224 HydrophobicContact CD1-CB 3.73Å; Y203-H224 HydrophobicContact CE1-CB 3.83Å; T204-H224 PolarHBondContact N-O 3.19Å; H224-I226 PolarHBondContact O-N 2.9Å; H224-D249 IonicContact CE1-OD2 2.8Å; H224-D249 IonicContact CG-OD2 3.9Å; H224-D249 IonicContact ND1-OD1 3.33Å; H224-D249 IonicContact ND1-OD2 3.11Å; H224-D249 PolarHBondContact ND1-OD2 2.87Å
225	L	97.1	Very high	94.7	Very high	63 Å²	63	62.7 Å²	62.7	33%	0.33	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	116	176.9	-71.7	173.4	0	0	0	110.4	T204 I213 Q227	T204-L225 HydrophobicContact CG2-CD2 3.7Å; T204-L225 WeakPolarHBondContact O-CA 3.36Å; I213-L225 HydrophobicContact CD1-CD1 4.25Å; I213-L225 HydrophobicContact CD1-CD2 3.96Å; I213-L225 HydrophobicContact CG1-CD2 4.21Å; L225-Q227 PolarHBondContact O-N 3.07Å
226	I	97.2	Very high	94.4	Very high	5 Å²	5	65 Å²	65	3%	0.026	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	119	171.8	-52.2	-53.9	0	0	0	107.9	Y203 T204 S205 D206 H224 T228 F237 D241 L242 A245	Y203-I226 HydrophobicContact CD1-CD1 4.35Å; T204-I226 PolarHBondContact O-N 3.26Å; S205-I226 WeakPolarHBondContact CA-O 3.44Å; D206-I226 PolarHBondContact N-O 2.94Å; H224-I226 PolarHBondContact O-N 2.9Å; I226-T228 PolarHBondContact O-N 3.46Å; I226-F237 HydrophobicContact CB-CE1 4.15Å; I226-F237 HydrophobicContact CB-CE2 4.26Å; I226-F237 HydrophobicContact CB-CZ 3.95Å; I226-F237 HydrophobicContact CG1-CE1 4.05Å; I226-F237 HydrophobicContact CG1-CE2 4.31Å; I226-F237 HydrophobicContact CG1-CZ 3.66Å; I226-F237 HydrophobicContact CG2-CD1 4.06Å; I226-F237 HydrophobicContact CG2-CE1 3.94Å; I226-F237 HydrophobicContact CG2-CZ 4.26Å; I226-D241 HydrophobicContact CG2-CB 3.84Å; I226-L242 HydrophobicContact CD1-CB 4.44Å; I226-L242 HydrophobicContact CD1-CD1 4.4Å; I226-L242 HydrophobicContact CG1-CB 4.36Å; I226-L242 HydrophobicContact CG1-CD1 4.33Å; I226-A245 HydrophobicContact CD1-CB 3.63Å
227	Q	95.3	Very high	94.3	Very high	99 Å²	99	65.2 Å²	65.2	46%	0.463	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-73.7	124.6	179.7	-62	-59.2	-60.6	0	0	109.7	L225	L225-Q227 PolarHBondContact O-N 3.07Å
228	T	94.1	Very high	94.2	Very high	6 Å²	6	60.9 Å²	60.9	4%	0.037	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-71.4	144.5	175.2	50.1	0	0	0	0	111.8	D206 Q207 I226 L235 I236 F237	D206-T228 VanDerWaalsContact OD1-CB 3.25Å; D206-T228 WeakPolarHBondContact OD1-CB 3.46Å; D206-T228 WeakPolarHBondContact OD1-CG2 3.31Å; D206-T228 PolarHBondContact OD1-N 2.7Å; D206-T228 PolarHBondContact OD1-OG1 2.99Å; D206-T228 PolarHBondContact OD2-OG1 3.13Å; Q207-T228 HydrophobicContact CB-CG2 4.43Å; Q207-T228 HydrophobicContact CG-CG2 3.7Å; Q207-T228 WeakPolarHBondContact CG-OG1 3.18Å; I226-T228 PolarHBondContact O-N 3.46Å; T228-L235 HydrophobicContact CG2-CB 4.45Å; T228-I236 CarbonylContact C-O 3.57Å; T228-I236 VanDerWaalsContact CA-O 3.23Å; T228-I236 WeakPolarHBondContact CA-O 3.37Å; T228-F237 HydrophobicContact CG2-CB 4.42Å
229	R	91	Very high	94.1	Very high	101 Å²	101	56.5 Å²	56.5	38%	0.381	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	132.2	174.6	-59.4	179.3	-171.4	-160.3	-0.3	109.5	M231 I236 D241	R229-M231 PolarHBondContact O-N 3.29Å; R229-I236 PolarHBondContact N-O 2.9Å; R229-I236 PolarHBondContact O-N 2.83Å; R229-D241 IonicContact CZ-OD1 3.92Å; R229-D241 IonicContact CZ-OD2 2.86Å; R229-D241 IonicContact NE-OD1 3.51Å; R229-D241 IonicContact NE-OD2 3.45Å; R229-D241 PolarHBondContact NE-OD2 3.2Å; R229-D241 VanDerWaalsContact NH2-CG 3.28Å; R229-D241 IonicContact NH2-OD1 3.62Å; R229-D241 PolarHBondContact NH2-OD1 3.49Å; R229-D241 IonicContact NH2-OD2 3.35Å; R229-D241 PolarHBondContact NH2-OD2 3.43Å; R229-D241 VanDerWaalsContact NH2-OD2 3.1Å
230	K	89.4	Confident	94.1	Very high	92 Å²	92	63.3 Å²	63.3	40%	0.4	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	123.6	174	-172.1	-178.9	179	-165.7	0	110.1	G232 K234 L235 Y457 E459	K230-G232 WeakPolarHBondContact CE-O 3.27Å; K230-K234 WeakPolarHBondContact CA-O 3.48Å; K230-L235 HydrophobicContact CB-CD2 4.11Å; K230-L235 HydrophobicContact CG-CD2 4.3Å; K230-Y457 HydrophobicContact CD-CE2 4.11Å; K230-Y457 WeakPolarHBondContact CE-OH 3.32Å; K230-Y457 PolarHBondContact NZ-OH 3.45Å; K230-E459 HydrophobicContact CB-CG 4.41Å; K230-E459 HydrophobicContact CD-CG 3.81Å; K230-E459 WeakPolarHBondContact CD-OE1 3.34Å; K230-E459 WeakPolarHBondContact CD-OE2 3.41Å; K230-E459 WeakPolarHBondContact CE-OE1 3.33Å; K230-E459 VanDerWaalsContact NZ-CD 3.33Å; K230-E459 IonicContact NZ-OE1 3.1Å; K230-E459 PolarHBondContact NZ-OE1 2.92Å; K230-E459 IonicContact NZ-OE2 2.73Å; K230-E459 PolarHBondContact NZ-OE2 3.5Å
231	M	88.7	Confident	94.2	Very high	128 Å²	128	57.6 Å²	57.6	63%	0.631	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.8	101.4	171	-169.2	174.9	75.2	0	0	109.1	R229 K233 K234 I236	R229-M231 PolarHBondContact O-N 3.29Å; M231-K233 PolarHBondContact O-N 3.34Å; M231-K234 PolarHBondContact N-O 3.26Å; M231-K234 PolarHBondContact O-N 3.45Å; M231-I236 HydrophobicContact CB-CD1 3.58Å; M231-I236 HydrophobicContact CB-CG1 4.38Å; M231-I236 HydrophobicContact CE-CD1 3.36Å; M231-I236 HydrophobicContact CG-CD1 4.34Å; M231-I236 HydrophobicContact SD-CD1 3.98Å
232	G	88.8	Confident	94.2	Very high	63 Å²	63	57.2 Å²	57.2	65%	0.649	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	-118.5	-169.9	0	0	0	0	0	111.3	K230	K230-G232 WeakPolarHBondContact CE-O 3.27Å
233	K	88.3	Confident	94.2	Very high	95 Å²	95	55.8 Å²	55.8	41%	0.413	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	3.8	177.9	-66.1	-175.8	177.9	-177.5	0	114.2	M231 I417	M231-K233 PolarHBondContact O-N 3.34Å; K233-I417 VanDerWaalsContact CE-O 3.23Å; K233-I417 WeakPolarHBondContact CE-O 3.02Å
234	K	91.4	Very high	94.3	Very high	76 Å²	76	59.6 Å²	59.6	33%	0.33	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	142.3	-176.5	-62.3	-171.7	177.1	-169.7	0	110.9	K230 M231 I236 D420	K230-K234 WeakPolarHBondContact CA-O 3.48Å; M231-K234 PolarHBondContact N-O 3.26Å; M231-K234 PolarHBondContact O-N 3.45Å; K234-I236 HydrophobicContact CB-CG1 4.16Å; K234-D420 WeakPolarHBondContact CE-OD2 3.42Å; K234-D420 HydrophobicContact CG-CB 4.27Å; K234-D420 IonicContact NZ-OD2 3.24Å; K234-D420 PolarHBondContact NZ-OD2 3.47Å
235	L	92.7	Very high	94.3	Very high	11 Å²	11	57.1 Å²	57.1	6%	0.058	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	108.6	166.4	-58.1	173.5	0	0	0	108.2	Q207 T228 K230 T268 E270 Y457	Q207-L235 HydrophobicContact CG-CB 4.23Å; Q207-L235 HydrophobicContact CG-CD1 3.92Å; T228-L235 HydrophobicContact CG2-CB 4.45Å; K230-L235 HydrophobicContact CB-CD2 4.11Å; K230-L235 HydrophobicContact CG-CD2 4.3Å; L235-T268 HydrophobicContact CD1-CG2 4.42Å; L235-E270 HydrophobicContact CB-CG 4.15Å; L235-Y457 HydrophobicContact CD1-CD1 3.88Å; L235-Y457 HydrophobicContact CD1-CD2 4.2Å; L235-Y457 HydrophobicContact CD1-CG 3.68Å; L235-Y457 HydrophobicContact CD2-CD2 3.76Å; L235-Y457 HydrophobicContact CD2-CE2 3.99Å; L235-Y457 HydrophobicContact CD2-CG 4.1Å; L235-Y457 HydrophobicContact CG-CG 4.47Å
236	I	93.4	Very high	94.4	Very high	51 Å²	51	54.1 Å²	54.1	26%	0.262	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	118.7	-169.7	-59.2	-177.1	0	0	0	109.4	T228 R229 M231 K234 D238	T228-I236 CarbonylContact C-O 3.57Å; T228-I236 VanDerWaalsContact CA-O 3.23Å; T228-I236 WeakPolarHBondContact CA-O 3.37Å; R229-I236 PolarHBondContact N-O 2.9Å; R229-I236 PolarHBondContact O-N 2.83Å; M231-I236 HydrophobicContact CB-CD1 3.58Å; M231-I236 HydrophobicContact CB-CG1 4.38Å; M231-I236 HydrophobicContact CE-CD1 3.36Å; M231-I236 HydrophobicContact CG-CD1 4.34Å; M231-I236 HydrophobicContact SD-CD1 3.98Å; K234-I236 HydrophobicContact CB-CG1 4.16Å; I236-D238 PolarHBondContact O-N 2.89Å
237	F	94.8	Very high	94.4	Very high	5 Å²	5	57.3 Å²	57.3	2%	0.022	28%	0.282	C	S	.	.			trans	-71.6	103.4	157.3	-174.7	-43.3	0	0	0	106.6	I226 T228 L242 E272 I277	I226-F237 HydrophobicContact CB-CE1 4.15Å; I226-F237 HydrophobicContact CB-CE2 4.26Å; I226-F237 HydrophobicContact CB-CZ 3.95Å; I226-F237 HydrophobicContact CG1-CE1 4.05Å; I226-F237 HydrophobicContact CG1-CE2 4.31Å; I226-F237 HydrophobicContact CG1-CZ 3.66Å; I226-F237 HydrophobicContact CG2-CD1 4.06Å; I226-F237 HydrophobicContact CG2-CE1 3.94Å; I226-F237 HydrophobicContact CG2-CZ 4.26Å; T228-F237 HydrophobicContact CG2-CB 4.42Å; F237-L242 HydrophobicContact CE1-CB 3.6Å; F237-L242 HydrophobicContact CE1-CD2 3.94Å; F237-L242 HydrophobicContact CE1-CG 4.25Å; F237-L242 HydrophobicContact CZ-CB 4.12Å; F237-L242 HydrophobicContact CZ-CD1 4.3Å; F237-L242 HydrophobicContact CZ-CD2 4.07Å; F237-L242 HydrophobicContact CZ-CG 4.4Å; F237-E272 HydrophobicContact CB-CB 4.38Å; F237-E272 HydrophobicContact CB-CG 3.82Å; F237-E272 HydrophobicContact CD2-CG 4.41Å; F237-E272 WeakPolarHBondContact CD2-OE2 3.27Å; F237-I277 HydrophobicContact CD1-CD1 3.91Å; F237-I277 HydrophobicContact CD1-CG1 4.35Å; F237-I277 HydrophobicContact CD2-CD1 4.27Å; F237-I277 HydrophobicContact CE1-CD1 4.05Å; F237-I277 HydrophobicContact CE1-CG1 4.21Å; F237-I277 HydrophobicContact CE2-CD1 4.47Å; F237-I277 HydrophobicContact CG-CD1 4.07Å; F237-I277 HydrophobicContact CZ-CD1 4.39Å
238	D	94.4	Very high	94.6	Very high	35 Å²	35	54.6 Å²	54.6	19%	0.187	27%	0.274	C	S	.	.			trans	-77.2	126	178.5	-162.5	-38.5	0	0	0	110.6	I236 K240 D241 L242	I236-D238 PolarHBondContact O-N 2.89Å; D238-K240 PolarHBondContact O-N 2.8Å; D238-K240 WeakPolarHBondContact OD1-CB 3.17Å; D238-K240 PolarHBondContact OD1-N 3.35Å; D238-D241 HydrophobicContact CB-CB 4.24Å; D238-D241 PolarHBondContact O-N 3.36Å; D238-L242 PolarHBondContact O-N 3.24Å
239	S	95.4	Very high	94.8	Very high	14 Å²	14	54.6 Å²	54.6	10%	0.098	27%	0.274	C	S	.	.	H	α-helix	trans	-64.9	-30.4	179	62.7	0	0	0	0	111.7	L242 Q243 E276 I280	S239-L242 PolarHBondContact O-N 3.14Å; S239-Q243 PolarHBondContact O-N 3Å; S239-E276 WeakPolarHBondContact CB-OE2 3.48Å; S239-E276 PolarHBondContact OG-OE2 3.12Å; S239-I280 WeakPolarHBondContact O-CD1 3.35Å
240	K	96.8	Very high	95.2	Very high	143 Å²	143	53.5 Å²	53.5	62%	0.622	28%	0.275	S	S	*	.	H	α-helix	trans	-65.7	-43.2	175.3	-63.2	178	-177.4	174.9	0	111.7	D238 L242 Q243 E244	D238-K240 PolarHBondContact O-N 2.8Å; D238-K240 WeakPolarHBondContact OD1-CB 3.17Å; D238-K240 PolarHBondContact OD1-N 3.35Å; K240-L242 VanDerWaalsContact C-N 3.25Å; K240-L242 PolarHBondContact O-N 2.98Å; K240-Q243 PolarHBondContact O-N 3.12Å; K240-Q243 VanDerWaalsContact O-N 3.1Å; K240-E244 WeakPolarHBondContact O-CG 3.43Å; K240-E244 PolarHBondContact O-N 3.13Å
241	D	97.3	Very high	95.6	Very high	22 Å²	22	56 Å²	56	12%	0.118	29%	0.291	C	S	.	.	H	α-helix	trans	-61.1	-37.3	177.6	-71.8	-20.9	0	0	0	111.1	I226 R229 D238 A245	I226-D241 HydrophobicContact CG2-CB 3.84Å; R229-D241 IonicContact CZ-OD1 3.92Å; R229-D241 IonicContact CZ-OD2 2.86Å; R229-D241 IonicContact NE-OD1 3.51Å; R229-D241 IonicContact NE-OD2 3.45Å; R229-D241 PolarHBondContact NE-OD2 3.2Å; R229-D241 VanDerWaalsContact NH2-CG 3.28Å; R229-D241 IonicContact NH2-OD1 3.62Å; R229-D241 PolarHBondContact NH2-OD1 3.49Å; R229-D241 IonicContact NH2-OD2 3.35Å; R229-D241 PolarHBondContact NH2-OD2 3.43Å; R229-D241 VanDerWaalsContact NH2-OD2 3.1Å; D238-D241 HydrophobicContact CB-CB 4.24Å; D238-D241 PolarHBondContact O-N 3.36Å; D241-A245 VanDerWaalsContact O-CB 3.23Å; D241-A245 WeakPolarHBondContact O-CB 3.38Å; D241-A245 PolarHBondContact O-N 3.32Å
242	L	98.6	Very high	96	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-66.8	-44	172.5	169.2	69.3	0	0	0	113	Y203 I226 F237 D238 S239 K240 A245 I246 I277 I280	Y203-L242 HydrophobicContact CD1-CD1 3.85Å; Y203-L242 HydrophobicContact CD2-CD1 4.4Å; Y203-L242 HydrophobicContact CG-CD1 3.68Å; I226-L242 HydrophobicContact CD1-CB 4.44Å; I226-L242 HydrophobicContact CD1-CD1 4.4Å; I226-L242 HydrophobicContact CG1-CB 4.36Å; I226-L242 HydrophobicContact CG1-CD1 4.33Å; F237-L242 HydrophobicContact CE1-CB 3.6Å; F237-L242 HydrophobicContact CE1-CD2 3.94Å; F237-L242 HydrophobicContact CE1-CG 4.25Å; F237-L242 HydrophobicContact CZ-CB 4.12Å; F237-L242 HydrophobicContact CZ-CD1 4.3Å; F237-L242 HydrophobicContact CZ-CD2 4.07Å; F237-L242 HydrophobicContact CZ-CG 4.4Å; D238-L242 PolarHBondContact O-N 3.24Å; S239-L242 PolarHBondContact O-N 3.14Å; K240-L242 VanDerWaalsContact C-N 3.25Å; K240-L242 PolarHBondContact O-N 2.98Å; L242-A245 PolarHBondContact O-N 2.93Å; L242-I246 HydrophobicContact CD1-CD1 3.68Å; L242-I246 HydrophobicContact CD1-CG1 4.06Å; L242-I246 HydrophobicContact CG-CD1 3.78Å; L242-I246 WeakPolarHBondContact O-CD1 3.31Å; L242-I246 VanDerWaalsContact O-CG1 3.27Å; L242-I246 WeakPolarHBondContact O-CG1 3.48Å; L242-I246 PolarHBondContact O-N 3.23Å; L242-I277 HydrophobicContact CD2-CB 4.43Å; L242-I277 HydrophobicContact CD2-CG1 4.35Å; L242-I277 HydrophobicContact CD2-CG2 3.83Å; L242-I280 HydrophobicContact CD2-CG2 4.15Å; L242-I280 HydrophobicContact CG-CG2 4.21Å
243	Q	98.6	Very high	96.3	Very high	61 Å²	61	55.4 Å²	55.4	29%	0.285	28%	0.278	S	S	.	.	H	α-helix	trans	-61.2	-46.5	177.7	176.9	170.7	-24.2	0	0	111	S239 K240 A245 I246 E247 I280 F284	S239-Q243 PolarHBondContact O-N 3Å; K240-Q243 PolarHBondContact O-N 3.12Å; K240-Q243 VanDerWaalsContact O-N 3.1Å; Q243-A245 VanDerWaalsContact C-N 3.35Å; Q243-A245 PolarHBondContact O-N 3.41Å; Q243-I246 PolarHBondContact O-N 3.25Å; Q243-E247 HydrophobicContact CG-CG 4.41Å; Q243-E247 WeakPolarHBondContact CG-OE1 3.48Å; Q243-E247 PolarHBondContact NE2-OE1 3.26Å; Q243-E247 WeakPolarHBondContact O-CB 3.33Å; Q243-E247 WeakPolarHBondContact O-CG 3.42Å; Q243-E247 PolarHBondContact O-N 2.79Å; Q243-I280 HydrophobicContact CB-CD1 4.09Å; Q243-I280 HydrophobicContact CB-CG2 4.41Å; Q243-F284 HydrophobicContact CG-CE2 4.05Å; Q243-F284 HydrophobicContact CG-CZ 4.22Å
244	E	98.5	Very high	96.8	Very high	121 Å²	121	52.8 Å²	52.8	57%	0.565	27%	0.268	S	S	*	.	H	α-helix	trans	-61.8	-42.1	177.2	-71.6	177.2	-169.7	0	0	111.7	K240 E247 S248	K240-E244 WeakPolarHBondContact O-CG 3.43Å; K240-E244 PolarHBondContact O-N 3.13Å; E244-E247 PolarHBondContact O-N 3.47Å; E244-S248 VanDerWaalsContact O-CB 3.26Å; E244-S248 WeakPolarHBondContact O-CB 3.49Å; E244-S248 PolarHBondContact O-N 2.72Å
245	A	98.6	Very high	97.1	Very high	8 Å²	8	50.4 Å²	50.4	7%	0.066	26%	0.258	C	S	.	.	H	α-helix	trans	-59.3	-48	175.2	0	0	0	0	0	111.8	Y203 I226 D241 L242 Q243 S248 D249	Y203-A245 HydrophobicContact CD1-CB 4.37Å; Y203-A245 HydrophobicContact CE1-CB 4.12Å; I226-A245 HydrophobicContact CD1-CB 3.63Å; D241-A245 VanDerWaalsContact O-CB 3.23Å; D241-A245 WeakPolarHBondContact O-CB 3.38Å; D241-A245 PolarHBondContact O-N 3.32Å; L242-A245 PolarHBondContact O-N 2.93Å; Q243-A245 VanDerWaalsContact C-N 3.35Å; Q243-A245 PolarHBondContact O-N 3.41Å; A245-S248 PolarHBondContact O-N 3.12Å; A245-D249 WeakPolarHBondContact O-CB 3.3Å; A245-D249 VanDerWaalsContact O-CG 3.27Å; A245-D249 PolarHBondContact O-N 3.02Å
246	I	98.8	Very high	97.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.9	-48.1	177.8	-69.8	162.5	0	0	0	111	Y203 L242 Q243 D249 I250 P256 I280 F284 I286	Y203-I246 HydrophobicContact CD1-CG1 4.31Å; Y203-I246 HydrophobicContact CD2-CG1 4.25Å; Y203-I246 HydrophobicContact CE1-CG1 3.83Å; Y203-I246 HydrophobicContact CE2-CG1 3.8Å; L242-I246 HydrophobicContact CD1-CD1 3.68Å; L242-I246 HydrophobicContact CD1-CG1 4.06Å; L242-I246 HydrophobicContact CG-CD1 3.78Å; L242-I246 WeakPolarHBondContact O-CD1 3.31Å; L242-I246 VanDerWaalsContact O-CG1 3.27Å; L242-I246 WeakPolarHBondContact O-CG1 3.48Å; L242-I246 PolarHBondContact O-N 3.23Å; Q243-I246 PolarHBondContact O-N 3.25Å; I246-D249 PolarHBondContact O-N 3.23Å; I246-I250 HydrophobicContact CG2-CD1 3.76Å; I246-I250 HydrophobicContact CG2-CG1 4.45Å; I246-I250 VanDerWaalsContact O-CG1 3.26Å; I246-I250 WeakPolarHBondContact O-CG1 3.17Å; I246-I250 PolarHBondContact O-N 3.45Å; I246-P256 HydrophobicContact CG2-CB 4.3Å; I246-P256 HydrophobicContact CG2-CG 3.91Å; I246-I280 HydrophobicContact CD1-CG2 3.66Å; I246-F284 HydrophobicContact CB-CD2 4.49Å; I246-F284 HydrophobicContact CD1-CD2 4.1Å; I246-F284 HydrophobicContact CG2-CB 4.11Å; I246-F284 HydrophobicContact CG2-CD1 3.59Å; I246-F284 HydrophobicContact CG2-CD2 3.82Å; I246-F284 HydrophobicContact CG2-CE1 3.86Å; I246-F284 HydrophobicContact CG2-CE2 4.09Å; I246-F284 HydrophobicContact CG2-CG 3.57Å; I246-F284 HydrophobicContact CG2-CZ 4.11Å; I246-I286 HydrophobicContact CD1-CD1 3.6Å; I246-I286 HydrophobicContact CG1-CD1 3.93Å; I246-I286 HydrophobicContact CG2-CD1 4.06Å
247	E	98.7	Very high	97.6	Very high	73 Å²	73	48.7 Å²	48.7	34%	0.341	25%	0.251	S	S	.	.	H	α-helix	trans	-63.2	-45	-179.3	-72.1	172.3	179.8	0	0	111.4	Q243 E244 D249 I250 I251 K283 F284	Q243-E247 HydrophobicContact CG-CG 4.41Å; Q243-E247 WeakPolarHBondContact CG-OE1 3.48Å; Q243-E247 PolarHBondContact NE2-OE1 3.26Å; Q243-E247 WeakPolarHBondContact O-CB 3.33Å; Q243-E247 WeakPolarHBondContact O-CG 3.42Å; Q243-E247 PolarHBondContact O-N 2.79Å; E244-E247 PolarHBondContact O-N 3.47Å; E247-D249 VanDerWaalsContact C-N 3.34Å; E247-D249 PolarHBondContact O-N 3.49Å; E247-I250 PolarHBondContact O-N 2.84Å; E247-I251 VanDerWaalsContact O-CG1 3.29Å; E247-I251 WeakPolarHBondContact O-CG1 3.4Å; E247-I251 PolarHBondContact O-N 3.23Å; E247-K283 IonicContact OE1-NZ 2.72Å; E247-K283 PolarHBondContact OE1-NZ 2.97Å; E247-F284 HydrophobicContact CG-CE1 3.98Å; E247-F284 HydrophobicContact CG-CZ 3.63Å
248	S	98.6	Very high	97.8	Very high	41 Å²	41	48.4 Å²	48.4	29%	0.287	25%	0.25	S	C	.	.	H	α-helix	trans	-58.1	-45	174.4	150.3	0	0	0	0	111.9	E244 A245 I251 K252	E244-S248 VanDerWaalsContact O-CB 3.26Å; E244-S248 WeakPolarHBondContact O-CB 3.49Å; E244-S248 PolarHBondContact O-N 2.72Å; A245-S248 PolarHBondContact O-N 3.12Å; S248-I251 PolarHBondContact O-N 2.93Å; S248-K252 WeakPolarHBondContact O-CG 3.26Å; S248-K252 PolarHBondContact O-N 3.27Å; S248-K252 VanDerWaalsContact O-N 3.08Å; S248-K252 VanDerWaalsContact OG-CE 3.29Å; S248-K252 WeakPolarHBondContact OG-CE 3.41Å; S248-K252 PolarHBondContact OG-NZ 3.35Å
249	D	98.6	Very high	98	Very high	6 Å²	6	46.8 Å²	46.8	3%	0.032	24%	0.241	C	C	.	.	H	α-helix	trans	-71.7	-35.4	-176.3	-74.1	-11	0	0	0	111.9	V201 H224 A245 I246 E247 I251 K252 G253 L254	V201-D249 HydrophobicContact CG1-CB 4.25Å; H224-D249 IonicContact CE1-OD2 2.8Å; H224-D249 IonicContact CG-OD2 3.9Å; H224-D249 IonicContact ND1-OD1 3.33Å; H224-D249 IonicContact ND1-OD2 3.11Å; H224-D249 PolarHBondContact ND1-OD2 2.87Å; A245-D249 WeakPolarHBondContact O-CB 3.3Å; A245-D249 VanDerWaalsContact O-CG 3.27Å; A245-D249 PolarHBondContact O-N 3.02Å; I246-D249 PolarHBondContact O-N 3.23Å; E247-D249 VanDerWaalsContact C-N 3.34Å; E247-D249 PolarHBondContact O-N 3.49Å; D249-I251 VanDerWaalsContact C-N 3.35Å; D249-I251 PolarHBondContact O-N 3.45Å; D249-K252 CarbonylContact O-C 3.6Å; D249-K252 PolarHBondContact O-N 2.75Å; D249-K252 IonicContact OD1-NZ 2.66Å; D249-K252 PolarHBondContact OD1-NZ 3.46Å; D249-G253 PolarHBondContact O-N 3.4Å; D249-L254 HydrophobicContact CB-CB 4.12Å; D249-L254 HydrophobicContact CB-CD1 3.93Å; D249-L254 VanDerWaalsContact O-CB 3.28Å; D249-L254 WeakPolarHBondContact O-CB 3.15Å; D249-L254 PolarHBondContact O-N 3.19Å
250	I	98.3	Very high	98.1	Very high	79 Å²	79	46.1 Å²	46.1	41%	0.405	24%	0.236	S	C	.	.	H	α-helix	trans	-59.8	-45	169.5	-69.6	167.1	0	0	0	110.7	I246 E247 K252 G253 P256 F284	I246-I250 HydrophobicContact CG2-CD1 3.76Å; I246-I250 HydrophobicContact CG2-CG1 4.45Å; I246-I250 VanDerWaalsContact O-CG1 3.26Å; I246-I250 WeakPolarHBondContact O-CG1 3.17Å; I246-I250 PolarHBondContact O-N 3.45Å; E247-I250 PolarHBondContact O-N 2.84Å; I250-K252 PolarHBondContact O-N 3.33Å; I250-G253 WeakPolarHBondContact O-CA 3.04Å; I250-G253 PolarHBondContact O-N 3.18Å; I250-P256 HydrophobicContact CD1-CG 4.04Å; I250-P256 HydrophobicContact CG1-CG 3.62Å; I250-F284 HydrophobicContact CD1-CD1 3.8Å; I250-F284 HydrophobicContact CD1-CE1 4.03Å
251	I	98.2	Very high	98.2	Very high	145 Å²	145	39.3 Å²	39.3	74%	0.744	21%	0.207	S	C	*	.	H	α-helix	trans	-60.8	-34	177.8	-69.4	164.2	0	0	0	111.3	E247 S248 D249 G253	E247-I251 VanDerWaalsContact O-CG1 3.29Å; E247-I251 WeakPolarHBondContact O-CG1 3.4Å; E247-I251 PolarHBondContact O-N 3.23Å; S248-I251 PolarHBondContact O-N 2.93Å; D249-I251 VanDerWaalsContact C-N 3.35Å; D249-I251 PolarHBondContact O-N 3.45Å; I251-G253 PolarHBondContact O-N 3.02Å
252	K	97.8	Very high	98.3	Very high	141 Å²	141	38.4 Å²	38.4	61%	0.613	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	1.3	174.6	-65.3	168.7	-164.7	162.5	0	113.7	S248 D249 I250 L254	S248-K252 WeakPolarHBondContact O-CG 3.26Å; S248-K252 PolarHBondContact O-N 3.27Å; S248-K252 VanDerWaalsContact O-N 3.08Å; S248-K252 VanDerWaalsContact OG-CE 3.29Å; S248-K252 WeakPolarHBondContact OG-CE 3.41Å; S248-K252 PolarHBondContact OG-NZ 3.35Å; D249-K252 CarbonylContact O-C 3.6Å; D249-K252 PolarHBondContact O-N 2.75Å; D249-K252 IonicContact OD1-NZ 2.66Å; D249-K252 PolarHBondContact OD1-NZ 3.46Å; I250-K252 PolarHBondContact O-N 3.33Å; K252-L254 VanDerWaalsContact C-N 3.34Å; K252-L254 HydrophobicContact CB-CG 4.45Å
253	G	95.8	Very high	98.2	Very high	37 Å²	37	38.4 Å²	38.4	38%	0.381	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	15.6	-179	0	0	0	0	0	114.5	D249 I250 I251	D249-G253 PolarHBondContact O-N 3.4Å; I250-G253 WeakPolarHBondContact O-CA 3.04Å; I250-G253 PolarHBondContact O-N 3.18Å; I251-G253 PolarHBondContact O-N 3.02Å
254	L	97.5	Very high	98.2	Very high	39 Å²	39	35.8 Å²	35.8	20%	0.204	19%	0.191	C	C	.	.			trans	-79.8	161.7	171.6	-57.1	178.3	0	0	0	110.8	R199 V201 D249 K252 P256	R199-L254 CarbonylContact O-C 3.51Å; R199-L254 VanDerWaalsContact O-CA 3.31Å; R199-L254 WeakPolarHBondContact O-CA 3.37Å; R199-L254 WeakPolarHBondContact O-CB 3.47Å; V201-L254 HydrophobicContact CB-CD1 4.49Å; V201-L254 HydrophobicContact CG1-CB 3.99Å; D249-L254 HydrophobicContact CB-CB 4.12Å; D249-L254 HydrophobicContact CB-CD1 3.93Å; D249-L254 VanDerWaalsContact O-CB 3.28Å; D249-L254 WeakPolarHBondContact O-CB 3.15Å; D249-L254 PolarHBondContact O-N 3.19Å; K252-L254 VanDerWaalsContact C-N 3.34Å; K252-L254 HydrophobicContact CB-CG 4.45Å; L254-P256 WeakPolarHBondContact O-CD 3.31Å
255	I	97.2	Very high	98.1	Very high	26 Å²	26	30 Å²	30	13%	0.133	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	100.3	-175.8	-54.3	169.8	0	0	0	107.6	V173 Y177 I196 R199 M200 V201 V257	V173-I255 HydrophobicContact CG1-CG2 3.98Å; Y177-I255 HydrophobicContact CD2-CD1 3.69Å; Y177-I255 HydrophobicContact CE2-CD1 3.69Å; Y177-I255 HydrophobicContact CG-CD1 4.45Å; I196-I255 HydrophobicContact CG2-CD1 4.26Å; R199-I255 HydrophobicContact CB-CD1 4.06Å; R199-I255 HydrophobicContact CB-CG1 4.16Å; R199-I255 PolarHBondContact O-N 3.23Å; M200-I255 WeakPolarHBondContact CA-O 3.13Å; V201-I255 PolarHBondContact N-O 3.36Å; I255-V257 HydrophobicContact CG2-CG1 4.02Å; I255-V257 WeakPolarHBondContact O-CG1 3.3Å; I255-V257 PolarHBondContact O-N 3.36Å
256	P	98.5	Very high	98	Very high	22 Å²	22	31.6 Å²	31.6	14%	0.143	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	127.4	171.5	-23.4	34.8	0	0	0	111.1	V201 Y203 I246 I250 L254 I286	V201-P256 HydrophobicContact CG1-CG 4.42Å; Y203-P256 HydrophobicContact CE2-CB 3.8Å; I246-P256 HydrophobicContact CG2-CB 4.3Å; I246-P256 HydrophobicContact CG2-CG 3.91Å; I250-P256 HydrophobicContact CD1-CG 4.04Å; I250-P256 HydrophobicContact CG1-CG 3.62Å; L254-P256 WeakPolarHBondContact O-CD 3.31Å; P256-I286 HydrophobicContact CB-CD1 3.31Å; P256-I286 HydrophobicContact CB-CG1 3.69Å; P256-I286 HydrophobicContact CG-CD1 4.38Å
257	V	98.5	Very high	97.8	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.024	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	-35	-175.7	-57.7	0	0	0	0	115.6	I169 V173 M200 V201 V202 L221 I255 W287	I169-V257 HydrophobicContact CG2-CB 3.74Å; I169-V257 HydrophobicContact CG2-CG2 3.95Å; V173-V257 HydrophobicContact CB-CG1 4.07Å; V173-V257 HydrophobicContact CG1-CG1 3.74Å; V173-V257 HydrophobicContact CG2-CB 4.13Å; V173-V257 HydrophobicContact CG2-CG1 3.89Å; M200-V257 HydrophobicContact CB-CG1 3.99Å; M200-V257 HydrophobicContact CB-CG2 4.31Å; M200-V257 HydrophobicContact CG-CG1 3.88Å; M200-V257 HydrophobicContact SD-CG1 4.03Å; V201-V257 PolarHBondContact O-N 3.26Å; V202-V257 HydrophobicContact CG1-CG2 3.47Å; V202-V257 VanDerWaalsContact CG1-CG2 3.47Å; L221-V257 HydrophobicContact CD1-CG2 4.38Å; L221-V257 HydrophobicContact CD2-CG2 4.47Å; I255-V257 HydrophobicContact CG2-CG1 4.02Å; I255-V257 WeakPolarHBondContact O-CG1 3.3Å; I255-V257 PolarHBondContact O-N 3.36Å; V257-W287 PolarHBondContact O-N 2.96Å
258	M	98.6	Very high	97.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	143.8	-179.4	174.3	173.8	174.1	0	0	112.1	I165 A166 I169 V202 Y203 F216 V260 I286 W287 H289	I165-M258 HydrophobicContact CB-CE 4.22Å; I165-M258 HydrophobicContact CG2-CE 3.68Å; I165-M258 HydrophobicContact CG2-SD 3.83Å; A166-M258 HydrophobicContact CB-SD 4.39Å; I169-M258 HydrophobicContact CG1-SD 4.44Å; I169-M258 HydrophobicContact CG2-CB 4.25Å; V202-M258 CarbonylContact C-O 3.6Å; V202-M258 WeakPolarHBondContact CA-O 3.5Å; V202-M258 WeakPolarHBondContact CB-O 3.33Å; V202-M258 HydrophobicContact CG1-CB 3.87Å; Y203-M258 PolarHBondContact N-O 3.19Å; F216-M258 HydrophobicContact CE1-CE 4.46Å; F216-M258 HydrophobicContact CE1-SD 4.4Å; M258-V260 HydrophobicContact CE-CG2 3.42Å; M258-V260 VanDerWaalsContact CE-CG2 3.42Å; M258-V260 HydrophobicContact CG-CG2 4.4Å; M258-I286 VanDerWaalsContact C-CG2 3.49Å; M258-I286 VanDerWaalsContact CA-CG2 3.42Å; M258-W287 CarbonylContact C-O 3.34Å; M258-W287 VanDerWaalsContact CA-O 3.27Å; M258-W287 WeakPolarHBondContact CA-O 3.44Å; M258-W287 HydrophobicContact CB-CB 4.25Å; M258-W287 HydrophobicContact CG-CB 4.39Å; M258-H289 HydrophobicContact CE-CB 3.58Å
259	C	98.8	Very high	97.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	133.8	167.3	-174.7	0	0	0	0	109.4	Y203 C281 I286 W287 H289	Y203-C259 CarbonylContact O-C 3.51Å; Y203-C259 VanDerWaalsContact O-CA 3.31Å; Y203-C259 WeakPolarHBondContact O-CA 3.31Å; C259-C281 WeakPolarHBondContact CB-SG 3.37Å; C259-I286 HydrophobicContact CB-CG2 4.38Å; C259-W287 PolarHBondContact N-O 2.72Å; C259-H289 PolarHBondContact O-N 3.12Å
260	V	98.8	Very high	97.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	114.8	172.4	-179.8	0	0	0	0	108.5	Y203 T204 V212 F216 M258 H289 D291	Y203-V260 PolarHBondContact O-N 3.46Å; T204-V260 PolarHBondContact OG1-O 2.88Å; V212-V260 HydrophobicContact CG1-CB 3.81Å; V212-V260 HydrophobicContact CG1-CG1 3.89Å; V212-V260 HydrophobicContact CG1-CG2 3.9Å; V212-V260 HydrophobicContact CG2-CG1 3.97Å; F216-V260 HydrophobicContact CE1-CG2 3.97Å; F216-V260 HydrophobicContact CZ-CB 4.3Å; F216-V260 HydrophobicContact CZ-CG2 3.61Å; M258-V260 HydrophobicContact CE-CG2 3.42Å; M258-V260 VanDerWaalsContact CE-CG2 3.42Å; M258-V260 HydrophobicContact CG-CG2 4.4Å; V260-H289 WeakPolarHBondContact CA-O 3.49Å; V260-H289 HydrophobicContact CG2-CB 4.16Å; V260-D291 HydrophobicContact CG1-CB 4.24Å
261	A	98.6	Very high	97.3	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	151.4	167	0	0	0	0	0	110.8	E272 L274 I277 F288 H289 V290 D291	A261-E272 WeakPolarHBondContact CA-OE2 3.44Å; A261-E272 HydrophobicContact CB-CB 4.38Å; A261-E272 VanDerWaalsContact CB-OE2 3.27Å; A261-E272 WeakPolarHBondContact CB-OE2 3.06Å; A261-L274 HydrophobicContact CB-CD2 3.69Å; A261-I277 HydrophobicContact CB-CD1 3.86Å; A261-I277 HydrophobicContact CB-CG2 4.28Å; A261-F288 HydrophobicContact CB-CE2 3.55Å; A261-F288 HydrophobicContact CB-CZ 4.06Å; A261-H289 PolarHBondContact N-O 3.18Å; A261-V290 CarbonylContact O-C 3.59Å; A261-V290 WeakPolarHBondContact O-CA 3.17Å; A261-D291 PolarHBondContact O-N 2.95Å
262	T	98.4	Very high	97.3	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.018	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127	-174.7	-46.5	0	0	0	0	111	T265 E272 D291	T262-T265 HydrophobicContact CG2-CG2 3.98Å; T262-E272 PolarHBondContact N-OE2 2.85Å; T262-E272 PolarHBondContact O-N 3.17Å; T262-D291 WeakPolarHBondContact CA-O 3.37Å
263	M	97.7	Very high	97.2	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	10%	0.098	C	C	.	.	B	Isolated β-bridge	trans	-100.2	96.1	168.1	-174.8	-166.9	157.8	0	0	108	F271 V290 D291 A292 A295 A298 L299 L307 I311	M263-F271 HydrophobicContact CE-CD1 4.42Å; M263-F271 HydrophobicContact CE-CE1 3.94Å; M263-F271 HydrophobicContact CG-CD1 3.58Å; M263-F271 HydrophobicContact CG-CE1 3.75Å; M263-V290 HydrophobicContact CB-CG1 4.05Å; M263-D291 PolarHBondContact N-O 2.78Å; M263-A292 HydrophobicContact CB-CB 3.87Å; M263-A292 HydrophobicContact CG-CB 4.4Å; M263-A292 HydrophobicContact SD-CB 3.95Å; M263-A295 HydrophobicContact CE-CB 4.32Å; M263-A295 WeakPolarHBondContact CE-O 3.32Å; M263-A295 HydrophobicContact CG-CB 4.49Å; M263-A295 WeakPolarHBondContact O-CB 3.17Å; M263-A298 HydrophobicContact CE-CB 4.4Å; M263-L299 HydrophobicContact CE-CD1 4.42Å; M263-L299 HydrophobicContact CE-CD2 3.75Å; M263-L299 HydrophobicContact CE-CG 3.95Å; M263-L299 HydrophobicContact SD-CD1 4.36Å; M263-L299 HydrophobicContact SD-CD2 4.46Å; M263-L307 HydrophobicContact CE-CB 3.89Å; M263-I311 HydrophobicContact SD-CD1 4.39Å
264	G	96.9	Very high	97.4	Very high	5 Å²	5	14.4 Å²	14.4	5%	0.052	8%	0.08	C	C	.	.	S	Bend	trans	88.8	73	-174.3	0	0	0	0	0	112.3	E270	G264-E270 CarbonylContact C-O 3.59Å; G264-E270 WeakPolarHBondContact CA-O 3.11Å; G264-E270 PolarHBondContact N-O 2.78Å
265	T	97.1	Very high	97.4	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.006	9%	0.09	C	C	.	.			trans	-55.8	157.8	178.3	62.5	0	0	0	0	112.4	Y85 Q207 T262 C269 E270	Y85-T265 PolarHBondContact OH-O 2.91Å; Q207-T265 HydrophobicContact CB-CG2 4Å; T262-T265 HydrophobicContact CG2-CG2 3.98Å; T265-C269 WeakPolarHBondContact O-CA 3.35Å; T265-C269 PolarHBondContact O-N 3.24Å; T265-C269 PolarHBondContact OG1-N 3Å; T265-E270 HydrophobicContact CG2-CB 4Å; T265-E270 PolarHBondContact N-O 2.97Å; T265-E270 PolarHBondContact OG1-N 2.76Å
266	T	95.8	Very high	97.5	Very high	40 Å²	40	20.5 Å²	20.5	25%	0.245	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-45.4	-173.1	-61.1	0	0	0	0	112.2	H209 R488	H209-T266 PolarHBondContact CD2-OG1 3.06Å; T266-R488 PolarHBondContact O-NE 2.91Å; T266-R488 PolarHBondContact O-NH2 3.46Å
267	S	94.8	Very high	97.5	Very high	23 Å²	23	19.4 Å²	19.4	16%	0.161	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-55.6	-173.6	-56.8	0	0	0	0	111.8	C427 S455 R488	S267-C427 PolarHBondContact O-SG 2.89Å; S267-C427 VanDerWaalsContact O-SG 3.33Å; S267-S455 WeakPolarHBondContact CB-OG 3.42Å; S267-S455 PolarHBondContact OG-OG 3.46Å; S267-R488 VanDerWaalsContact O-CD 3.31Å; S267-R488 WeakPolarHBondContact O-CD 3.25Å; S267-R488 PolarHBondContact O-NE 2.96Å
268	T	95.9	Very high	97.5	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.006	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	4.4	-170	52.5	0	0	0	0	115	L235 E270 N419 Y457 F486	L235-T268 HydrophobicContact CD1-CG2 4.42Å; T268-E270 VanDerWaalsContact OG1-CG 3.28Å; T268-E270 WeakPolarHBondContact OG1-CG 3.3Å; T268-E270 PolarHBondContact OG1-OE1 3.48Å; T268-N419 HydrophobicContact CG2-CB 4.25Å; T268-N419 WeakPolarHBondContact O-CB 3.26Å; T268-N419 PolarHBondContact O-ND2 3.23Å; T268-Y457 HydrophobicContact CG2-CD1 4.23Å; T268-F486 HydrophobicContact CG2-CE1 4.35Å; T268-F486 HydrophobicContact CG2-CE2 3.99Å; T268-F486 HydrophobicContact CG2-CZ 3.61Å
269	C	96.9	Very high	97.5	Very high	4 Å²	4	22.2 Å²	22.2	3%	0.027	11%	0.111	C	C	.	.			trans	59.2	43.5	-179.2	-165.7	0	0	0	0	113.4	Y85 T265 F271 L425	Y85-C269 WeakPolarHBondContact OH-CB 3.35Å; T265-C269 WeakPolarHBondContact O-CA 3.35Å; T265-C269 PolarHBondContact O-N 3.24Å; T265-C269 PolarHBondContact OG1-N 3Å; C269-F271 WeakPolarHBondContact O-CD2 3.47Å; C269-F271 VanDerWaalsContact O-CE2 3.3Å; C269-F271 WeakPolarHBondContact O-CE2 3.23Å; C269-L425 HydrophobicContact CB-CB 3.79Å; C269-L425 HydrophobicContact CB-CD2 3.6Å; C269-L425 HydrophobicContact CB-CG 4.28Å
270	E	95.6	Very high	97.5	Very high	14 Å²	14	22.9 Å²	22.9	7%	0.065	12%	0.115	C	C	.	.			trans	-74.7	152.7	175.1	-57.8	-62.9	156.9	0	0	111.8	L235 G264 T265 T268	L235-E270 HydrophobicContact CB-CG 4.15Å; G264-E270 CarbonylContact C-O 3.59Å; G264-E270 WeakPolarHBondContact CA-O 3.11Å; G264-E270 PolarHBondContact N-O 2.78Å; T265-E270 HydrophobicContact CG2-CB 4Å; T265-E270 PolarHBondContact N-O 2.97Å; T265-E270 PolarHBondContact OG1-N 2.76Å; T268-E270 VanDerWaalsContact OG1-CG 3.28Å; T268-E270 WeakPolarHBondContact OG1-CG 3.3Å; T268-E270 PolarHBondContact OG1-OE1 3.48Å
271	F	96.2	Very high	97.5	Very high	39 Å²	39	22.9 Å²	22.9	17%	0.171	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-113.8	107.7	176.1	-65.4	-96.4	0	0	0	108.6	M263 C269 A295 L307 Q422 F423	M263-F271 HydrophobicContact CE-CD1 4.42Å; M263-F271 HydrophobicContact CE-CE1 3.94Å; M263-F271 HydrophobicContact CG-CD1 3.58Å; M263-F271 HydrophobicContact CG-CE1 3.75Å; C269-F271 WeakPolarHBondContact O-CD2 3.47Å; C269-F271 VanDerWaalsContact O-CE2 3.3Å; C269-F271 WeakPolarHBondContact O-CE2 3.23Å; F271-A295 HydrophobicContact CE1-CB 3.65Å; F271-A295 HydrophobicContact CZ-CB 3.76Å; F271-L307 HydrophobicContact CD1-CB 3.82Å; F271-L307 HydrophobicContact CD1-CD2 3.94Å; F271-L307 HydrophobicContact CD1-CG 4.31Å; F271-L307 HydrophobicContact CD2-CD2 4.08Å; F271-L307 HydrophobicContact CE1-CB 3.75Å; F271-L307 HydrophobicContact CE1-CD1 3.8Å; F271-L307 HydrophobicContact CE1-CD2 3.96Å; F271-L307 HydrophobicContact CE1-CG 4.05Å; F271-L307 HydrophobicContact CE2-CD2 4.1Å; F271-L307 HydrophobicContact CG-CD2 4.02Å; F271-L307 HydrophobicContact CZ-CD1 3.8Å; F271-L307 HydrophobicContact CZ-CD2 4.05Å; F271-L307 HydrophobicContact CZ-CG 4.35Å; F271-Q422 HydrophobicContact CE2-CB 4.15Å; F271-F423 HydrophobicContact CE2-CB 4.37Å; F271-F423 HydrophobicContact CZ-CB 4.15Å; F271-F423 HydrophobicContact CZ-CG 4.47Å
272	E	97.2	Very high	97.5	Very high	13 Å²	13	30.5 Å²	30.5	6%	0.061	15%	0.148	C	C	.	.			trans	-72.2	151.8	178.9	-63.8	173.9	-179.5	0	0	110.9	S205 F237 A261 T262 L274 I277	S205-E272 WeakPolarHBondContact CB-OE1 3.11Å; S205-E272 PolarHBondContact OG-OE1 3.42Å; F237-E272 HydrophobicContact CB-CB 4.38Å; F237-E272 HydrophobicContact CB-CG 3.82Å; F237-E272 HydrophobicContact CD2-CG 4.41Å; F237-E272 WeakPolarHBondContact CD2-OE2 3.27Å; A261-E272 WeakPolarHBondContact CA-OE2 3.44Å; A261-E272 HydrophobicContact CB-CB 4.38Å; A261-E272 VanDerWaalsContact CB-OE2 3.27Å; A261-E272 WeakPolarHBondContact CB-OE2 3.06Å; T262-E272 PolarHBondContact N-OE2 2.85Å; T262-E272 PolarHBondContact O-N 3.17Å; E272-L274 VanDerWaalsContact C-N 3.33Å; E272-L274 WeakPolarHBondContact O-CG 3.48Å; E272-L274 PolarHBondContact O-N 3.37Å; E272-I277 HydrophobicContact CB-CD1 4.03Å
273	N	97.4	Very high	97.5	Very high	66 Å²	66	36.5 Å²	36.5	35%	0.353	17%	0.174	S	C	.	.			trans	-75.8	83.9	-176.5	-170.9	-19.4	0	0	0	111	Y275 E276 I277	N273-Y275 PolarHBondContact O-N 2.92Å; N273-Y275 PolarHBondContact OD1-N 2.94Å; N273-E276 HydrophobicContact CB-CB 4.4Å; N273-E276 WeakPolarHBondContact ND2-CG 3.42Å; N273-E276 PolarHBondContact ND2-OE1 3.25Å; N273-E276 PolarHBondContact ND2-OE2 3.03Å; N273-E276 PolarHBondContact O-N 3.21Å; N273-E276 PolarHBondContact OD1-N 3.36Å; N273-I277 WeakPolarHBondContact O-CG1 3.21Å; N273-I277 PolarHBondContact O-N 3Å
274	L	98.6	Very high	97.5	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-59.9	-29.9	-175.8	-48.3	-179.2	0	0	0	112.4	A261 E272 G278 F288 V290 K309 I311	A261-L274 HydrophobicContact CB-CD2 3.69Å; E272-L274 VanDerWaalsContact C-N 3.33Å; E272-L274 WeakPolarHBondContact O-CG 3.48Å; E272-L274 PolarHBondContact O-N 3.37Å; L274-G278 WeakPolarHBondContact O-CA 3.18Å; L274-G278 PolarHBondContact O-N 2.99Å; L274-F288 HydrophobicContact CB-CE1 4.35Å; L274-F288 HydrophobicContact CB-CZ 4.02Å; L274-F288 HydrophobicContact CD2-CZ 4.1Å; L274-F288 WeakPolarHBondContact O-CE1 3.22Å; L274-V290 HydrophobicContact CD1-CG1 3.95Å; L274-V290 HydrophobicContact CD1-CG2 4.14Å; L274-V290 HydrophobicContact CD2-CG1 4.22Å; L274-V290 HydrophobicContact CD2-CG2 4.14Å; L274-K309 WeakPolarHBondContact CB-O 3.3Å; L274-I311 HydrophobicContact CD1-CD1 4.48Å; L274-I311 HydrophobicContact CD1-CG1 3.72Å
275	Y	98.6	Very high	97.5	Very high	104 Å²	104	45.7 Å²	45.7	41%	0.408	22%	0.22	S	C	.	.	H	α-helix	trans	-68	-48.3	179.2	-176.5	-95.2	0	0	0	111.7	N273 N279 L313	N273-Y275 PolarHBondContact O-N 2.92Å; N273-Y275 PolarHBondContact OD1-N 2.94Å; Y275-N279 WeakPolarHBondContact CE1-ND2 3.38Å; Y275-N279 PolarHBondContact O-N 3.18Å; Y275-N279 VanDerWaalsContact O-N 3.12Å; Y275-N279 PolarHBondContact O-ND2 3.02Å; Y275-L313 HydrophobicContact CD2-CD1 4Å; Y275-L313 HydrophobicContact CE2-CD1 4.38Å; Y275-L313 HydrophobicContact CG-CD1 4.47Å; Y275-L313 VanDerWaalsContact O-CD1 3.25Å; Y275-L313 WeakPolarHBondContact O-CD1 3.43Å
276	E	98.4	Very high	97.6	Very high	88 Å²	88	46 Å²	46	41%	0.411	22%	0.221	S	C	.	.	H	α-helix	trans	-68.4	-47.5	178.1	-72.7	176.7	-160.2	0	0	111.7	S239 N273 G278 N279 I280	S239-E276 WeakPolarHBondContact CB-OE2 3.48Å; S239-E276 PolarHBondContact OG-OE2 3.12Å; N273-E276 HydrophobicContact CB-CB 4.4Å; N273-E276 WeakPolarHBondContact ND2-CG 3.42Å; N273-E276 PolarHBondContact ND2-OE1 3.25Å; N273-E276 PolarHBondContact ND2-OE2 3.03Å; N273-E276 PolarHBondContact O-N 3.21Å; N273-E276 PolarHBondContact OD1-N 3.36Å; E276-G278 VanDerWaalsContact C-N 3.32Å; E276-G278 PolarHBondContact O-N 3.46Å; E276-N279 PolarHBondContact O-N 3.43Å; E276-I280 WeakPolarHBondContact O-CG1 3.42Å; E276-I280 PolarHBondContact O-N 2.95Å; E276-I280 VanDerWaalsContact O-N 3.12Å
277	I	98.7	Very high	97.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.8	-44.6	178.1	-65.5	168	0	0	0	110.5	F237 L242 A261 E272 N273 N279 I280 C281 F288	F237-I277 HydrophobicContact CD1-CD1 3.91Å; F237-I277 HydrophobicContact CD1-CG1 4.35Å; F237-I277 HydrophobicContact CD2-CD1 4.27Å; F237-I277 HydrophobicContact CE1-CD1 4.05Å; F237-I277 HydrophobicContact CE1-CG1 4.21Å; F237-I277 HydrophobicContact CE2-CD1 4.47Å; F237-I277 HydrophobicContact CG-CD1 4.07Å; F237-I277 HydrophobicContact CZ-CD1 4.39Å; L242-I277 HydrophobicContact CD2-CB 4.43Å; L242-I277 HydrophobicContact CD2-CG1 4.35Å; L242-I277 HydrophobicContact CD2-CG2 3.83Å; A261-I277 HydrophobicContact CB-CD1 3.86Å; A261-I277 HydrophobicContact CB-CG2 4.28Å; E272-I277 HydrophobicContact CB-CD1 4.03Å; N273-I277 WeakPolarHBondContact O-CG1 3.21Å; N273-I277 PolarHBondContact O-N 3Å; I277-N279 PolarHBondContact O-N 3.32Å; I277-I280 PolarHBondContact O-N 3.48Å; I277-C281 PolarHBondContact O-N 2.81Å; I277-C281 PolarHBondContact O-SG 3.33Å; I277-F288 HydrophobicContact CB-CE2 4.39Å; I277-F288 HydrophobicContact CB-CZ 4.38Å; I277-F288 HydrophobicContact CG2-CD2 4.1Å; I277-F288 HydrophobicContact CG2-CE2 3.62Å; I277-F288 HydrophobicContact CG2-CZ 4.09Å
278	G	98.7	Very high	97.9	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-63.3	-37.5	179.1	0	0	0	0	0	113.3	L274 E276 C281 K282 F288	L274-G278 WeakPolarHBondContact O-CA 3.18Å; L274-G278 PolarHBondContact O-N 2.99Å; E276-G278 VanDerWaalsContact C-N 3.32Å; E276-G278 PolarHBondContact O-N 3.46Å; G278-C281 PolarHBondContact O-N 3.31Å; G278-K282 WeakPolarHBondContact O-CB 3.35Å; G278-K282 PolarHBondContact O-N 3.27Å; G278-F288 VanDerWaalsContact CA-CD1 3.42Å
279	N	98.7	Very high	98.1	Very high	61 Å²	61	43.8 Å²	43.8	33%	0.326	21%	0.205	S	C	.	.	H	α-helix	trans	-67.2	-38.3	175.8	-80.5	-50.6	0	0	0	112	Y275 E276 I277 K282 K283	Y275-N279 WeakPolarHBondContact CE1-ND2 3.38Å; Y275-N279 PolarHBondContact O-N 3.18Å; Y275-N279 VanDerWaalsContact O-N 3.12Å; Y275-N279 PolarHBondContact O-ND2 3.02Å; E276-N279 PolarHBondContact O-N 3.43Å; I277-N279 PolarHBondContact O-N 3.32Å; N279-K282 PolarHBondContact O-N 3.49Å; N279-K283 WeakPolarHBondContact O-CB 3.26Å; N279-K283 PolarHBondContact O-N 2.97Å
280	I	98.8	Very high	98.2	Very high	14 Å²	14	43.6 Å²	43.6	7%	0.072	20%	0.203	C	C	.	.	H	α-helix	trans	-64.4	-49	173.5	-68.1	167.4	0	0	0	110.2	S239 L242 Q243 I246 E276 I277 K282 K283 F284	S239-I280 WeakPolarHBondContact O-CD1 3.35Å; L242-I280 HydrophobicContact CD2-CG2 4.15Å; L242-I280 HydrophobicContact CG-CG2 4.21Å; Q243-I280 HydrophobicContact CB-CD1 4.09Å; Q243-I280 HydrophobicContact CB-CG2 4.41Å; I246-I280 HydrophobicContact CD1-CG2 3.66Å; E276-I280 WeakPolarHBondContact O-CG1 3.42Å; E276-I280 PolarHBondContact O-N 2.95Å; E276-I280 VanDerWaalsContact O-N 3.12Å; I277-I280 PolarHBondContact O-N 3.48Å; I280-K282 VanDerWaalsContact C-N 3.25Å; I280-K282 PolarHBondContact O-N 3.36Å; I280-K283 WeakPolarHBondContact O-CB 3.36Å; I280-K283 PolarHBondContact O-N 2.73Å; I280-F284 HydrophobicContact CG2-CD2 3.8Å; I280-F284 HydrophobicContact CG2-CE2 3.95Å; I280-F284 VanDerWaalsContact O-CD2 3.3Å; I280-F284 WeakPolarHBondContact O-CD2 3.34Å; I280-F284 PolarHBondContact O-N 2.8Å
281	C	98.8	Very high	98.3	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.007	20%	0.203	C	C	.	.	H	α-helix	trans	-56.6	-43	177.9	-65.7	0	0	0	0	111.3	C259 I277 G278 F284 N285 I286 F288	C259-C281 WeakPolarHBondContact CB-SG 3.37Å; I277-C281 PolarHBondContact O-N 2.81Å; I277-C281 PolarHBondContact O-SG 3.33Å; G278-C281 PolarHBondContact O-N 3.31Å; C281-F284 PolarHBondContact O-N 3.25Å; C281-N285 PolarHBondContact O-N 3.39Å; C281-I286 HydrophobicContact CB-CB 4.42Å; C281-I286 PolarHBondContact O-N 3.47Å; C281-F288 HydrophobicContact CB-CB 3.78Å; C281-F288 HydrophobicContact CB-CG 4.32Å
282	K	98.4	Very high	98.4	Very high	160 Å²	160	41.5 Å²	41.5	70%	0.696	19%	0.194	S	C	*	.	H	α-helix	trans	-62.5	-44.6	174.7	-173.2	178.7	179.7	-178.6	0	112.4	G278 N279 I280 F284 N285	G278-K282 WeakPolarHBondContact O-CB 3.35Å; G278-K282 PolarHBondContact O-N 3.27Å; N279-K282 PolarHBondContact O-N 3.49Å; I280-K282 VanDerWaalsContact C-N 3.25Å; I280-K282 PolarHBondContact O-N 3.36Å; K282-F284 VanDerWaalsContact C-N 3.29Å; K282-F284 PolarHBondContact O-N 2.81Å; K282-N285 PolarHBondContact O-N 2.87Å
283	K	98.5	Very high	98.5	Very high	128 Å²	128	41.1 Å²	41.1	56%	0.557	19%	0.194	S	C	*	.	H	α-helix	trans	-56.8	-42.3	177.8	176.5	-172.4	170.9	-165.7	0	111.8	E247 N279 I280	E247-K283 IonicContact OE1-NZ 2.72Å; E247-K283 PolarHBondContact OE1-NZ 2.97Å; N279-K283 WeakPolarHBondContact O-CB 3.26Å; N279-K283 PolarHBondContact O-N 2.97Å; I280-K283 WeakPolarHBondContact O-CB 3.36Å; I280-K283 PolarHBondContact O-N 2.73Å
284	F	98.2	Very high	98.5	Very high	47 Å²	47	38 Å²	38	21%	0.206	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	4.7	-177.8	-66.4	-78.2	0	0	0	114.2	Q243 I246 E247 I250 I280 C281 K282 I286	Q243-F284 HydrophobicContact CG-CE2 4.05Å; Q243-F284 HydrophobicContact CG-CZ 4.22Å; I246-F284 HydrophobicContact CB-CD2 4.49Å; I246-F284 HydrophobicContact CD1-CD2 4.1Å; I246-F284 HydrophobicContact CG2-CB 4.11Å; I246-F284 HydrophobicContact CG2-CD1 3.59Å; I246-F284 HydrophobicContact CG2-CD2 3.82Å; I246-F284 HydrophobicContact CG2-CE1 3.86Å; I246-F284 HydrophobicContact CG2-CE2 4.09Å; I246-F284 HydrophobicContact CG2-CG 3.57Å; I246-F284 HydrophobicContact CG2-CZ 4.11Å; E247-F284 HydrophobicContact CG-CE1 3.98Å; E247-F284 HydrophobicContact CG-CZ 3.63Å; I250-F284 HydrophobicContact CD1-CD1 3.8Å; I250-F284 HydrophobicContact CD1-CE1 4.03Å; I280-F284 HydrophobicContact CG2-CD2 3.8Å; I280-F284 HydrophobicContact CG2-CE2 3.95Å; I280-F284 VanDerWaalsContact O-CD2 3.3Å; I280-F284 WeakPolarHBondContact O-CD2 3.34Å; I280-F284 PolarHBondContact O-N 2.8Å; C281-F284 PolarHBondContact O-N 3.25Å; K282-F284 VanDerWaalsContact C-N 3.29Å; K282-F284 PolarHBondContact O-N 2.81Å; F284-I286 VanDerWaalsContact C-N 3.32Å; F284-I286 HydrophobicContact CB-CD1 3.6Å; F284-I286 HydrophobicContact CB-CG1 3.85Å; F284-I286 PolarHBondContact O-N 3.11Å
285	N	97.2	Very high	98.5	Very high	153 Å²	153	38 Å²	38	82%	0.818	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	44.4	-176.9	-168.2	44.6	0	0	0	113.7	C281 K282	C281-N285 PolarHBondContact O-N 3.39Å; K282-N285 PolarHBondContact O-N 2.87Å
286	I	98.1	Very high	98.4	Very high	6 Å²	6	33 Å²	33	3%	0.031	16%	0.157	C	C	.	.			trans	-102.7	141.5	179.6	-62.4	171.4	0	0	0	108.6	Y203 I246 P256 M258 C259 C281 F284 F288	Y203-I286 HydrophobicContact CE2-CD1 4.39Å; I246-I286 HydrophobicContact CD1-CD1 3.6Å; I246-I286 HydrophobicContact CG1-CD1 3.93Å; I246-I286 HydrophobicContact CG2-CD1 4.06Å; P256-I286 HydrophobicContact CB-CD1 3.31Å; P256-I286 HydrophobicContact CB-CG1 3.69Å; P256-I286 HydrophobicContact CG-CD1 4.38Å; M258-I286 VanDerWaalsContact C-CG2 3.49Å; M258-I286 VanDerWaalsContact CA-CG2 3.42Å; C259-I286 HydrophobicContact CB-CG2 4.38Å; C281-I286 HydrophobicContact CB-CB 4.42Å; C281-I286 PolarHBondContact O-N 3.47Å; F284-I286 VanDerWaalsContact C-N 3.32Å; F284-I286 HydrophobicContact CB-CD1 3.6Å; F284-I286 HydrophobicContact CB-CG1 3.85Å; F284-I286 PolarHBondContact O-N 3.11Å; I286-F288 PolarHBondContact O-N 2.81Å
287	W	98.8	Very high	98.4	Very high	17 Å²	17	28.8 Å²	28.8	6%	0.064	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	124.4	175.9	-176.3	-82.5	0	0	0	111.8	I165 I169 V257 M258 C259 N315 S316 L336 D338 V341	I165-W287 HydrophobicContact CG2-CZ2 4.47Å; I169-W287 HydrophobicContact CD1-CB 3.43Å; I169-W287 VanDerWaalsContact CD1-CB 3.43Å; I169-W287 HydrophobicContact CD1-CD2 3.55Å; I169-W287 HydrophobicContact CD1-CE3 3.55Å; I169-W287 HydrophobicContact CD1-CG 3.54Å; I169-W287 HydrophobicContact CD1-CZ3 4.41Å; I169-W287 HydrophobicContact CG1-CB 3.96Å; I169-W287 HydrophobicContact CG1-CD2 4.14Å; I169-W287 HydrophobicContact CG1-CG 3.89Å; V257-W287 PolarHBondContact O-N 2.96Å; M258-W287 CarbonylContact C-O 3.34Å; M258-W287 VanDerWaalsContact CA-O 3.27Å; M258-W287 WeakPolarHBondContact CA-O 3.44Å; M258-W287 HydrophobicContact CB-CB 4.25Å; M258-W287 HydrophobicContact CG-CB 4.39Å; C259-W287 PolarHBondContact N-O 2.72Å; W287-N315 HydrophobicContact CD2-CB 3.39Å; W287-N315 HydrophobicContact CE3-CB 3.61Å; W287-N315 HydrophobicContact CG-CB 4.04Å; W287-N315 HydrophobicContact CH2-CB 3.79Å; W287-N315 HydrophobicContact CZ2-CB 3.55Å; W287-N315 WeakPolarHBondContact CZ2-O 3.17Å; W287-N315 HydrophobicContact CZ3-CB 3.81Å; W287-S316 PolarHBondContact NE1-OG 2.76Å; W287-L336 HydrophobicContact CH2-CD2 4.43Å; W287-L336 HydrophobicContact CZ2-CD2 4.18Å; W287-D338 HydrophobicContact CH2-CB 4.43Å; W287-D338 HydrophobicContact CZ3-CB 4.4Å; W287-V341 HydrophobicContact CE3-CG2 4.49Å; W287-V341 HydrophobicContact CH2-CB 4.18Å; W287-V341 HydrophobicContact CH2-CG1 3.66Å; W287-V341 HydrophobicContact CZ2-CG1 4.1Å; W287-V341 HydrophobicContact CZ3-CB 4.13Å; W287-V341 HydrophobicContact CZ3-CG1 4.11Å; W287-V341 HydrophobicContact CZ3-CG2 4.24Å
288	F	98.9	Very high	98.3	Very high	1 Å²	1	28.8 Å²	28.8	0%	0.004	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	113.1	178.2	-177.6	-148.8	0	0	0	111.6	A261 L274 I277 G278 C281 I286 V290 L313 A314 N315 S316	A261-F288 HydrophobicContact CB-CE2 3.55Å; A261-F288 HydrophobicContact CB-CZ 4.06Å; L274-F288 HydrophobicContact CB-CE1 4.35Å; L274-F288 HydrophobicContact CB-CZ 4.02Å; L274-F288 HydrophobicContact CD2-CZ 4.1Å; L274-F288 WeakPolarHBondContact O-CE1 3.22Å; I277-F288 HydrophobicContact CB-CE2 4.39Å; I277-F288 HydrophobicContact CB-CZ 4.38Å; I277-F288 HydrophobicContact CG2-CD2 4.1Å; I277-F288 HydrophobicContact CG2-CE2 3.62Å; I277-F288 HydrophobicContact CG2-CZ 4.09Å; G278-F288 VanDerWaalsContact CA-CD1 3.42Å; C281-F288 HydrophobicContact CB-CB 3.78Å; C281-F288 HydrophobicContact CB-CG 4.32Å; I286-F288 PolarHBondContact O-N 2.81Å; F288-V290 HydrophobicContact CE1-CG2 4.15Å; F288-V290 HydrophobicContact CE2-CG2 4.16Å; F288-V290 HydrophobicContact CZ-CG2 3.77Å; F288-L313 HydrophobicContact CD1-CB 4.34Å; F288-L313 HydrophobicContact CE1-CB 4.47Å; F288-A314 VanDerWaalsContact CD1-CA 3.46Å; F288-A314 HydrophobicContact CD1-CB 4.02Å; F288-A314 HydrophobicContact CE1-CB 4.18Å; F288-N315 PolarHBondContact N-OD1 3.06Å; F288-N315 WeakPolarHBondContact O-CA 3.34Å; F288-N315 PolarHBondContact O-N 2.98Å; F288-S316 PolarHBondContact O-N 2.82Å
289	H	98.9	Very high	98.2	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	137.8	174.5	178.7	52.7	0	0	0	111.4	I165 M258 C259 V260 A261 S316 N318	I165-H289 VanDerWaalsContact CD1-CE1 3.48Å; I165-H289 WeakPolarHBondContact CD1-CE1 3.27Å; M258-H289 HydrophobicContact CE-CB 3.58Å; C259-H289 PolarHBondContact O-N 3.12Å; V260-H289 WeakPolarHBondContact CA-O 3.49Å; V260-H289 HydrophobicContact CG2-CB 4.16Å; A261-H289 PolarHBondContact N-O 3.18Å; H289-S316 CarbonylContact C-O 3.5Å; H289-S316 WeakPolarHBondContact CA-O 3.31Å; H289-S316 PolarHBondContact ND1-O 2.68Å; H289-S316 PolarHBondContact ND1-OG 3.23Å; H289-N318 PolarHBondContact CE1-OD1 3.34Å; H289-N318 VanDerWaalsContact CE1-OD1 3.22Å; H289-N318 PolarHBondContact NE2-OD1 3.44Å
290	V	98.8	Very high	98.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	112.9	173.6	-179.3	0	0	0	0	109.6	A261 M263 L274 F288 A292 A314 S316 I317 N318	A261-V290 CarbonylContact O-C 3.59Å; A261-V290 WeakPolarHBondContact O-CA 3.17Å; M263-V290 HydrophobicContact CB-CG1 4.05Å; L274-V290 HydrophobicContact CD1-CG1 3.95Å; L274-V290 HydrophobicContact CD1-CG2 4.14Å; L274-V290 HydrophobicContact CD2-CG1 4.22Å; L274-V290 HydrophobicContact CD2-CG2 4.14Å; F288-V290 HydrophobicContact CE1-CG2 4.15Å; F288-V290 HydrophobicContact CE2-CG2 4.16Å; F288-V290 HydrophobicContact CZ-CG2 3.77Å; V290-A292 HydrophobicContact CG1-CB 4.28Å; V290-A292 PolarHBondContact O-N 3.06Å; V290-A314 HydrophobicContact CG2-CB 3.63Å; V290-S316 PolarHBondContact N-O 3.03Å; V290-I317 HydrophobicContact CB-CB 4.24Å; V290-I317 HydrophobicContact CB-CD1 4.39Å; V290-I317 HydrophobicContact CB-CG1 4.09Å; V290-I317 HydrophobicContact CG1-CD1 4.18Å; V290-I317 HydrophobicContact CG1-CG1 4.23Å; V290-I317 VanDerWaalsContact O-CA 3.31Å; V290-I317 WeakPolarHBondContact O-CA 3.4Å; V290-N318 PolarHBondContact O-N 2.96Å; V290-N318 VanDerWaalsContact O-N 3.11Å
291	D	98.8	Very high	98.2	Very high	9 Å²	9	25.4 Å²	25.4	5%	0.048	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	102	166.8	-176.1	3.7	0	0	0	109.5	V260 A261 T262 M263 A293 N318	V260-D291 HydrophobicContact CG1-CB 4.24Å; A261-D291 PolarHBondContact O-N 2.95Å; T262-D291 WeakPolarHBondContact CA-O 3.37Å; M263-D291 PolarHBondContact N-O 2.78Å; D291-A293 WeakPolarHBondContact OD1-CB 3.33Å; D291-A293 PolarHBondContact OD1-N 3.24Å; D291-N318 WeakPolarHBondContact CA-OD1 3.5Å; D291-N318 PolarHBondContact OD1-ND2 3.08Å; D291-N318 PolarHBondContact OD1-OD1 3.46Å
292	A	98.5	Very high	98.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.14	C	C	.	.			trans	-112.5	32.8	175.8	0	0	0	0	0	111.1	M263 V290 Y294 G296 I317 N318 I319	M263-A292 HydrophobicContact CB-CB 3.87Å; M263-A292 HydrophobicContact CG-CB 4.4Å; M263-A292 HydrophobicContact SD-CB 3.95Å; V290-A292 HydrophobicContact CG1-CB 4.28Å; V290-A292 PolarHBondContact O-N 3.06Å; A292-Y294 VanDerWaalsContact C-N 3.28Å; A292-Y294 PolarHBondContact O-N 3.41Å; A292-Y294 VanDerWaalsContact O-N 3.13Å; A292-G296 WeakPolarHBondContact O-CA 3.37Å; A292-G296 PolarHBondContact O-N 2.87Å; A292-I317 HydrophobicContact CB-CD1 4.05Å; A292-I317 HydrophobicContact CB-CG1 4.14Å; A292-N318 CarbonylContact C-O 3.56Å; A292-N318 VanDerWaalsContact CA-O 3.27Å; A292-N318 WeakPolarHBondContact CA-O 3.32Å; A292-N318 WeakPolarHBondContact CB-O 3.24Å; A292-N318 PolarHBondContact N-O 3.46Å; A292-I319 HydrophobicContact CB-CG1 4.14Å
293	A	98.5	Very high	98	Very high	6 Å²	6	25 Å²	25	5%	0.05	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-47.5	-172.2	0	0	0	0	0	113.2	A158 D291 N318 N320	A158-A293 HydrophobicContact CB-CB 3.86Å; D291-A293 WeakPolarHBondContact OD1-CB 3.33Å; D291-A293 PolarHBondContact OD1-N 3.24Å; A293-N318 PolarHBondContact N-O 3.01Å; A293-N320 VanDerWaalsContact O-CB 3.27Å; A293-N320 WeakPolarHBondContact O-CB 2.9Å; A293-N320 PolarHBondContact O-N 3.25Å
294	Y	98	Very high	97.9	Very high	1 Å²	1	20.7 Å²	20.7	0%	0.004	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-55.8	179.2	172.7	-117.8	0	0	0	112.9	Y85 P86 A292 G296 K323 L324 H398 F423 V490	Y85-Y294 AromaticContact CD1-CD1 3.59Å; Y85-Y294 HydrophobicContact CD1-CD1 3.59Å; Y85-Y294 AromaticContact CD1-CD2 3.47Å; Y85-Y294 HydrophobicContact CD1-CD2 3.47Å; Y85-Y294 VanDerWaalsContact CD1-CD2 3.47Å; Y85-Y294 AromaticContact CD1-CE1 3.54Å; Y85-Y294 HydrophobicContact CD1-CE1 3.54Å; Y85-Y294 AromaticContact CD1-CE2 3.46Å; Y85-Y294 HydrophobicContact CD1-CE2 3.46Å; Y85-Y294 VanDerWaalsContact CD1-CE2 3.46Å; Y85-Y294 AromaticContact CD1-CG 3.52Å; Y85-Y294 HydrophobicContact CD1-CG 3.52Å; Y85-Y294 AromaticContact CD1-CZ 3.49Å; Y85-Y294 VanDerWaalsContact CD1-CZ 3.49Å; Y85-Y294 HydrophobicContact CD2-CD1 4.27Å; Y85-Y294 HydrophobicContact CD2-CD2 4.25Å; Y85-Y294 AromaticContact CD2-CG 3.83Å; Y85-Y294 HydrophobicContact CD2-CG 3.83Å; Y85-Y294 AromaticContact CE1-CD1 3.11Å; Y85-Y294 HydrophobicContact CE1-CD1 3.11Å; Y85-Y294 AromaticContact CE1-CD2 3.95Å; Y85-Y294 HydrophobicContact CE1-CD2 3.95Å; Y85-Y294 AromaticContact CE1-CE1 3.04Å; Y85-Y294 HydrophobicContact CE1-CE1 3.04Å; Y85-Y294 AromaticContact CE1-CE2 3.93Å; Y85-Y294 HydrophobicContact CE1-CE2 3.93Å; Y85-Y294 AromaticContact CE1-CG 3.55Å; Y85-Y294 HydrophobicContact CE1-CG 3.55Å; Y85-Y294 AromaticContact CE1-CZ 3.5Å; Y85-Y294 VanDerWaalsContact CE1-CZ 3.5Å; Y85-Y294 AromaticContact CE2-CD1 3.8Å; Y85-Y294 HydrophobicContact CE2-CD1 3.8Å; Y85-Y294 AromaticContact CE2-CG 3.79Å; Y85-Y294 HydrophobicContact CE2-CG 3.79Å; Y85-Y294 HydrophobicContact CG-CD1 4.16Å; Y85-Y294 AromaticContact CG-CD2 3.66Å; Y85-Y294 HydrophobicContact CG-CD2 3.66Å; Y85-Y294 HydrophobicContact CG-CE2 4.08Å; Y85-Y294 AromaticContact CG-CG 3.68Å; Y85-Y294 HydrophobicContact CG-CG 3.68Å; Y85-Y294 AromaticContact CZ-CD1 3.19Å; Y85-Y294 AromaticContact CZ-CE1 3.62Å; Y85-Y294 AromaticContact CZ-CG 3.65Å; Y85-Y294 WeakPolarHBondContact OH-CD1 3.09Å; P86-Y294 HydrophobicContact CG-CE2 3.98Å; A292-Y294 VanDerWaalsContact C-N 3.28Å; A292-Y294 PolarHBondContact O-N 3.41Å; A292-Y294 VanDerWaalsContact O-N 3.13Å; Y294-G296 PolarHBondContact O-N 3.41Å; Y294-K323 HydrophobicContact CD2-CB 4.48Å; Y294-K323 HydrophobicContact CD2-CD 4.24Å; Y294-L324 HydrophobicContact CD2-CD1 3.86Å; Y294-L324 HydrophobicContact CD2-CG 4.09Å; Y294-L324 HydrophobicContact CE2-CD1 3.46Å; Y294-L324 VanDerWaalsContact CE2-CD1 3.46Å; Y294-L324 HydrophobicContact CE2-CD2 4.22Å; Y294-L324 HydrophobicContact CE2-CG 3.8Å; Y294-H398 AromaticContact CZ-NE2 3.88Å; Y294-H398 PolarHBondContact OH-NE2 2.9Å; Y294-F423 AromaticContact CD1-CD1 3.93Å; Y294-F423 HydrophobicContact CD1-CD1 3.93Å; Y294-F423 AromaticContact CD1-CE1 3.92Å; Y294-F423 HydrophobicContact CD1-CE1 3.92Å; Y294-F423 AromaticContact CE1-CD1 3.27Å; Y294-F423 HydrophobicContact CE1-CD1 3.27Å; Y294-F423 AromaticContact CE1-CE1 3.49Å; Y294-F423 HydrophobicContact CE1-CE1 3.49Å; Y294-F423 VanDerWaalsContact CE1-CE1 3.49Å; Y294-F423 HydrophobicContact CE2-CE1 4.13Å; Y294-F423 HydrophobicContact CG-CE1 4.44Å; Y294-F423 AromaticContact CZ-CD1 3.68Å; Y294-F423 AromaticContact CZ-CE1 3.59Å; Y294-V490 HydrophobicContact CE2-CG2 4.39Å; Y294-V490 WeakPolarHBondContact OH-CG2 3.34Å
295	A	97.7	Very high	97.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-82.5	-10.2	-169.8	0	0	0	0	0	114	M263 F271 S297 A298 F423	M263-A295 HydrophobicContact CE-CB 4.32Å; M263-A295 WeakPolarHBondContact CE-O 3.32Å; M263-A295 HydrophobicContact CG-CB 4.49Å; M263-A295 WeakPolarHBondContact O-CB 3.17Å; F271-A295 HydrophobicContact CE1-CB 3.65Å; F271-A295 HydrophobicContact CZ-CB 3.76Å; A295-S297 PolarHBondContact O-N 3.27Å; A295-S297 VanDerWaalsContact O-N 3.13Å; A295-A298 WeakPolarHBondContact O-CB 3.21Å; A295-A298 PolarHBondContact O-N 3.2Å; A295-F423 HydrophobicContact CB-CD1 4.28Å; A295-F423 HydrophobicContact CB-CE1 4.18Å; A295-F423 HydrophobicContact CB-CZ 4.42Å
296	G	98	Very high	97.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-60.1	-27.4	179.5	0	0	0	0	0	113.6	A292 Y294 A298 L299	A292-G296 WeakPolarHBondContact O-CA 3.37Å; A292-G296 PolarHBondContact O-N 2.87Å; Y294-G296 PolarHBondContact O-N 3.41Å; G296-A298 PolarHBondContact O-N 3.48Å; G296-L299 WeakPolarHBondContact O-CB 3.39Å; G296-L299 WeakPolarHBondContact O-CG 3.49Å; G296-L299 PolarHBondContact O-N 3.43Å
297	S	97.1	Very high	97.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-61.8	-22	173	-57.7	0	0	0	0	113.4	A295 L299 L300 L325 L395	A295-S297 PolarHBondContact O-N 3.27Å; A295-S297 VanDerWaalsContact O-N 3.13Å; S297-L299 PolarHBondContact O-N 3.07Å; S297-L300 WeakPolarHBondContact O-CB 3.09Å; S297-L300 PolarHBondContact O-N 2.84Å; S297-L325 WeakPolarHBondContact OG-CD2 3.28Å; S297-L325 WeakPolarHBondContact OG-CG 3.19Å; S297-L395 VanDerWaalsContact O-CD1 3.26Å; S297-L395 WeakPolarHBondContact O-CD1 3.39Å
298	A	96.5	Very high	97.5	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-54	-36.2	174	0	0	0	0	0	112.3	M263 A295 G296 L300 C301 F304 L307 F423	M263-A298 HydrophobicContact CE-CB 4.4Å; A295-A298 WeakPolarHBondContact O-CB 3.21Å; A295-A298 PolarHBondContact O-N 3.2Å; G296-A298 PolarHBondContact O-N 3.48Å; A298-L300 PolarHBondContact O-N 3.24Å; A298-L300 VanDerWaalsContact O-N 3.1Å; A298-C301 WeakPolarHBondContact O-CB 3.09Å; A298-C301 PolarHBondContact O-N 3.48Å; A298-F304 HydrophobicContact CB-CB 4.07Å; A298-L307 HydrophobicContact CB-CD1 4.22Å; A298-F423 HydrophobicContact CB-CD2 4.1Å; A298-F423 HydrophobicContact CB-CE2 3.32Å; A298-F423 HydrophobicContact CB-CZ 4.01Å
299	L	98	Very high	97.4	Very high	4 Å²	4	29 Å²	29	2%	0.021	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-65.5	-17.1	-173	-55.6	177.8	0	0	0	113.1	L131 L133 M263 G296 S297 C301 R305 I311	L131-L299 HydrophobicContact CB-CB 4.23Å; L131-L299 HydrophobicContact CD2-CB 3.93Å; L131-L299 WeakPolarHBondContact O-CB 3.3Å; L133-L299 HydrophobicContact CD2-CD1 4.3Å; M263-L299 HydrophobicContact CE-CD1 4.42Å; M263-L299 HydrophobicContact CE-CD2 3.75Å; M263-L299 HydrophobicContact CE-CG 3.95Å; M263-L299 HydrophobicContact SD-CD1 4.36Å; M263-L299 HydrophobicContact SD-CD2 4.46Å; G296-L299 WeakPolarHBondContact O-CB 3.39Å; G296-L299 WeakPolarHBondContact O-CG 3.49Å; G296-L299 PolarHBondContact O-N 3.43Å; S297-L299 PolarHBondContact O-N 3.07Å; L299-C301 PolarHBondContact O-N 2.94Å; L299-R305 PolarHBondContact O-NE 3.16Å; L299-I311 HydrophobicContact CD1-CD1 3.58Å; L299-I311 HydrophobicContact CD2-CD1 4.5Å
300	L	98.2	Very high	97.4	Very high	1 Å²	1	29 Å²	29	1%	0.005	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-63	-27.1	169.7	-70	-177	0	0	0	112.2	L127 A130 L131 S297 A298 P302 L325 L388 I391 R392 L395	L127-L300 HydrophobicContact CD2-CD2 4.37Å; A130-L300 HydrophobicContact CB-CD2 3.67Å; L131-L300 HydrophobicContact CD2-CD2 3.64Å; L131-L300 HydrophobicContact CD2-CG 3.7Å; L131-L300 HydrophobicContact CG-CD2 3.91Å; S297-L300 WeakPolarHBondContact O-CB 3.09Å; S297-L300 PolarHBondContact O-N 2.84Å; A298-L300 PolarHBondContact O-N 3.24Å; A298-L300 VanDerWaalsContact O-N 3.1Å; L300-P302 WeakPolarHBondContact O-CD 3.49Å; L300-L325 HydrophobicContact CD1-CD2 3.36Å; L300-L325 HydrophobicContact CG-CD2 4.46Å; L300-L388 HydrophobicContact CD2-CD2 4.25Å; L300-I391 HydrophobicContact CD1-CG2 3.66Å; L300-R392 HydrophobicContact CB-CG 4.49Å; L300-R392 WeakPolarHBondContact O-CG 3.48Å; L300-R392 PolarHBondContact O-NE 2.98Å; L300-L395 HydrophobicContact CB-CD1 4.07Å; L300-L395 HydrophobicContact CD1-CD1 4.19Å
301	C	97.9	Very high	97.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-93.9	111.6	176.3	-60.8	0	0	0	0	108.9	A298 L299 E303 F304	A298-C301 WeakPolarHBondContact O-CB 3.09Å; A298-C301 PolarHBondContact O-N 3.48Å; L299-C301 PolarHBondContact O-N 2.94Å; C301-E303 PolarHBondContact O-N 3.47Å; C301-E303 VanDerWaalsContact O-N 3.11Å; C301-F304 HydrophobicContact CB-CB 4.48Å; C301-F304 HydrophobicContact CB-CD2 3.62Å; C301-F304 HydrophobicContact CB-CE2 4.42Å; C301-F304 PolarHBondContact O-N 2.94Å
302	P	97.5	Very high	97.3	Very high	67 Å²	67	33.4 Å²	33.4	44%	0.435	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-52.7	-37.3	-173.6	-29.1	36.5	0	0	0	114.5	L300 F304 R305	L300-P302 WeakPolarHBondContact O-CD 3.49Å; P302-F304 PolarHBondContact O-N 3.04Å; P302-R305 WeakPolarHBondContact O-CB 3.47Å; P302-R305 PolarHBondContact O-N 3.09Å
303	E	96.5	Very high	97.3	Very high	84 Å²	84	35.1 Å²	35.1	39%	0.393	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-67.1	-14.1	178.9	67.7	-83.5	-162.9	0	0	114.4	C301 Y306 R396	C301-E303 PolarHBondContact O-N 3.47Å; C301-E303 VanDerWaalsContact O-N 3.11Å; E303-Y306 WeakPolarHBondContact O-CD1 3.33Å; E303-Y306 VanDerWaalsContact O-CE1 3.24Å; E303-Y306 WeakPolarHBondContact O-CE1 3.43Å; E303-R396 VanDerWaalsContact CD-NH2 3.33Å; E303-R396 IonicContact OE1-CZ 3.66Å; E303-R396 IonicContact OE1-NE 2.77Å; E303-R396 PolarHBondContact OE1-NE 3.08Å; E303-R396 IonicContact OE1-NH2 3.22Å; E303-R396 PolarHBondContact OE1-NH2 3.11Å; E303-R396 IonicContact OE2-NH2 2.8Å; E303-R396 PolarHBondContact OE2-NH2 3.1Å
304	F	96	Very high	97.3	Very high	38 Å²	38	34.8 Å²	34.8	17%	0.167	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-105	0.6	176.1	-68.4	-77.3	0	0	0	113.4	A298 C301 P302 Y306 L307 F399	A298-F304 HydrophobicContact CB-CB 4.07Å; C301-F304 HydrophobicContact CB-CB 4.48Å; C301-F304 HydrophobicContact CB-CD2 3.62Å; C301-F304 HydrophobicContact CB-CE2 4.42Å; C301-F304 PolarHBondContact O-N 2.94Å; P302-F304 PolarHBondContact O-N 3.04Å; F304-Y306 HydrophobicContact CD1-CE1 4.29Å; F304-Y306 PolarHBondContact O-N 2.92Å; F304-Y306 VanDerWaalsContact O-N 3.13Å; F304-L307 HydrophobicContact CB-CD1 4.21Å; F304-L307 HydrophobicContact CD1-CD1 4.1Å; F304-L307 WeakPolarHBondContact O-CB 3.33Å; F304-L307 WeakPolarHBondContact O-CG 3.27Å; F304-L307 PolarHBondContact O-N 2.72Å; F304-L307 VanDerWaalsContact O-N 3.07Å; F304-F399 HydrophobicContact CD2-CD2 4.16Å; F304-F399 AromaticContact CD2-CE2 3.74Å; F304-F399 HydrophobicContact CD2-CE2 3.74Å; F304-F399 HydrophobicContact CE1-CD2 4.03Å; F304-F399 HydrophobicContact CE1-CE2 4.34Å; F304-F399 AromaticContact CE2-CD2 3.43Å; F304-F399 HydrophobicContact CE2-CD2 3.43Å; F304-F399 VanDerWaalsContact CE2-CD2 3.43Å; F304-F399 AromaticContact CE2-CE2 3.47Å; F304-F399 HydrophobicContact CE2-CE2 3.47Å; F304-F399 VanDerWaalsContact CE2-CE2 3.47Å; F304-F399 HydrophobicContact CG-CE2 4.29Å; F304-F399 AromaticContact CZ-CD2 3.35Å; F304-F399 HydrophobicContact CZ-CD2 3.35Å; F304-F399 AromaticContact CZ-CE2 3.8Å; F304-F399 HydrophobicContact CZ-CE2 3.8Å; F304-F399 HydrophobicContact CZ-CG 4.29Å
305	R	96.6	Very high	97.4	Very high	93 Å²	93	36.9 Å²	36.9	35%	0.351	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-62.9	-20.4	-179.9	-71.7	179.1	177.1	177.4	-5.6	113.7	A130 L131 L299 P302 L307 G308	A130-R305 PolarHBondContact O-NH2 2.81Å; L131-R305 PolarHBondContact O-NE 3.26Å; L299-R305 PolarHBondContact O-NE 3.16Å; P302-R305 WeakPolarHBondContact O-CB 3.47Å; P302-R305 PolarHBondContact O-N 3.09Å; R305-L307 PolarHBondContact O-N 3.03Å; R305-G308 PolarHBondContact O-N 3.12Å
306	Y	95.8	Very high	97.4	Very high	139 Å²	139	36.9 Å²	36.9	55%	0.545	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-59.9	-27	173.9	74.4	-90.3	0	0	0	112.9	E303 F304 G308 K309	E303-Y306 WeakPolarHBondContact O-CD1 3.33Å; E303-Y306 VanDerWaalsContact O-CE1 3.24Å; E303-Y306 WeakPolarHBondContact O-CE1 3.43Å; F304-Y306 HydrophobicContact CD1-CE1 4.29Å; F304-Y306 PolarHBondContact O-N 2.92Å; F304-Y306 VanDerWaalsContact O-N 3.13Å; Y306-G308 PolarHBondContact O-N 3.32Å; Y306-K309 WeakPolarHBondContact O-CB 3.25Å; Y306-K309 PolarHBondContact O-N 2.95Å; Y306-K309 VanDerWaalsContact O-N 3.16Å
307	L	94.9	Very high	97.5	Very high	13 Å²	13	36.9 Å²	36.9	7%	0.068	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-64.6	-21	175.5	-64.4	173.4	0	0	0	112.6	M263 F271 A298 F304 R305	M263-L307 HydrophobicContact CE-CB 3.89Å; F271-L307 HydrophobicContact CD1-CB 3.82Å; F271-L307 HydrophobicContact CD1-CD2 3.94Å; F271-L307 HydrophobicContact CD1-CG 4.31Å; F271-L307 HydrophobicContact CD2-CD2 4.08Å; F271-L307 HydrophobicContact CE1-CB 3.75Å; F271-L307 HydrophobicContact CE1-CD1 3.8Å; F271-L307 HydrophobicContact CE1-CD2 3.96Å; F271-L307 HydrophobicContact CE1-CG 4.05Å; F271-L307 HydrophobicContact CE2-CD2 4.1Å; F271-L307 HydrophobicContact CG-CD2 4.02Å; F271-L307 HydrophobicContact CZ-CD1 3.8Å; F271-L307 HydrophobicContact CZ-CD2 4.05Å; F271-L307 HydrophobicContact CZ-CG 4.35Å; A298-L307 HydrophobicContact CB-CD1 4.22Å; F304-L307 HydrophobicContact CB-CD1 4.21Å; F304-L307 HydrophobicContact CD1-CD1 4.1Å; F304-L307 WeakPolarHBondContact O-CB 3.33Å; F304-L307 WeakPolarHBondContact O-CG 3.27Å; F304-L307 PolarHBondContact O-N 2.72Å; F304-L307 VanDerWaalsContact O-N 3.07Å; R305-L307 PolarHBondContact O-N 3.03Å
308	G	96.1	Very high	97.5	Very high	6 Å²	6	36.9 Å²	36.9	6%	0.062	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-101.6	16.3	176.6	0	0	0	0	0	114.1	R305 Y306 G310 I311	R305-G308 PolarHBondContact O-N 3.12Å; Y306-G308 PolarHBondContact O-N 3.32Å; G308-G310 PolarHBondContact O-N 3.19Å; G308-I311 VanDerWaalsContact CA-CD1 3.46Å; G308-I311 WeakPolarHBondContact O-CB 3.45Å; G308-I311 WeakPolarHBondContact O-CD1 3.45Å; G308-I311 WeakPolarHBondContact O-CG1 3.16Å; G308-I311 PolarHBondContact O-N 2.83Å
309	K	97.5	Very high	97.6	Very high	147 Å²	147	36.9 Å²	36.9	64%	0.639	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	121.3	178.3	-179	-175.4	176.7	-173.5	0	110.2	L274 Y306	L274-K309 WeakPolarHBondContact CB-O 3.3Å; Y306-K309 WeakPolarHBondContact O-CB 3.25Å; Y306-K309 PolarHBondContact O-N 2.95Å; Y306-K309 VanDerWaalsContact O-N 3.16Å
310	G	98.1	Very high	97.7	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	105	-6.5	-175.4	0	0	0	0	0	114.5	G308 E312 L313	G308-G310 PolarHBondContact O-N 3.19Å; G310-E312 WeakPolarHBondContact CA-OE1 3.31Å; G310-E312 WeakPolarHBondContact CA-OE2 3.39Å; G310-E312 PolarHBondContact N-OE2 3.48Å; G310-E312 PolarHBondContact O-N 3.04Å; G310-E312 VanDerWaalsContact O-N 3.16Å; G310-L313 WeakPolarHBondContact O-CB 3.39Å; G310-L313 PolarHBondContact O-N 2.88Å
311	I	98.2	Very high	97.7	Very high	10 Å²	10	37 Å²	37	5%	0.051	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-57.4	-27.9	174.3	-75.8	169.9	0	0	0	111.8	L133 F137 M263 L274 L299 G308 L313 A314 I317	L133-I311 HydrophobicContact CD2-CG2 3.78Å; F137-I311 HydrophobicContact CE2-CG2 4.39Å; M263-I311 HydrophobicContact SD-CD1 4.39Å; L274-I311 HydrophobicContact CD1-CD1 4.48Å; L274-I311 HydrophobicContact CD1-CG1 3.72Å; L299-I311 HydrophobicContact CD1-CD1 3.58Å; L299-I311 HydrophobicContact CD2-CD1 4.5Å; G308-I311 VanDerWaalsContact CA-CD1 3.46Å; G308-I311 WeakPolarHBondContact O-CB 3.45Å; G308-I311 WeakPolarHBondContact O-CD1 3.45Å; G308-I311 WeakPolarHBondContact O-CG1 3.16Å; G308-I311 PolarHBondContact O-N 2.83Å; I311-L313 PolarHBondContact O-N 3.01Å; I311-L313 VanDerWaalsContact O-N 3.13Å; I311-A314 WeakPolarHBondContact O-CB 3.38Å; I311-A314 PolarHBondContact O-N 3.36Å; I311-I317 HydrophobicContact CD1-CD1 3.91Å; I311-I317 HydrophobicContact CG1-CD1 4.29Å; I311-I317 HydrophobicContact CG2-CD1 4.49Å
312	E	97.9	Very high	97.7	Very high	93 Å²	93	37.6 Å²	37.6	44%	0.435	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-59.9	-19.5	173.4	71.3	-76.4	179	0	0	114	P134 K136 G310	P134-E312 HydrophobicContact CG-CB 4.06Å; K136-E312 PolarHBondContact NZ-O 3.22Å; G310-E312 WeakPolarHBondContact CA-OE1 3.31Å; G310-E312 WeakPolarHBondContact CA-OE2 3.39Å; G310-E312 PolarHBondContact N-OE2 3.48Å; G310-E312 PolarHBondContact O-N 3.04Å; G310-E312 VanDerWaalsContact O-N 3.16Å
313	L	98.6	Very high	97.7	Very high	35 Å²	35	36 Å²	36	18%	0.183	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-90.5	-17.2	174.8	-58	175	0	0	0	112.8	Y275 F288 G310 I311	Y275-L313 HydrophobicContact CD2-CD1 4Å; Y275-L313 HydrophobicContact CE2-CD1 4.38Å; Y275-L313 HydrophobicContact CG-CD1 4.47Å; Y275-L313 VanDerWaalsContact O-CD1 3.25Å; Y275-L313 WeakPolarHBondContact O-CD1 3.43Å; F288-L313 HydrophobicContact CD1-CB 4.34Å; F288-L313 HydrophobicContact CE1-CB 4.47Å; G310-L313 WeakPolarHBondContact O-CB 3.39Å; G310-L313 PolarHBondContact O-N 2.88Å; I311-L313 PolarHBondContact O-N 3.01Å; I311-L313 VanDerWaalsContact O-N 3.13Å
314	A	98.7	Very high	97.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	14%	0.143	C	C	.	.			trans	-68.6	139.4	-176.6	0	0	0	0	0	112.7	K136 F137 F288 V290 I311	K136-A314 WeakPolarHBondContact CE-O 3.47Å; K136-A314 PolarHBondContact NZ-O 3Å; F137-A314 WeakPolarHBondContact CZ-O 3.44Å; F288-A314 VanDerWaalsContact CD1-CA 3.46Å; F288-A314 HydrophobicContact CD1-CB 4.02Å; F288-A314 HydrophobicContact CE1-CB 4.18Å; V290-A314 HydrophobicContact CG2-CB 3.63Å; I311-A314 WeakPolarHBondContact O-CB 3.38Å; I311-A314 PolarHBondContact O-N 3.36Å
315	N	98.8	Very high	97.8	Very high	44 Å²	44	30.6 Å²	30.6	24%	0.235	14%	0.136	C	C	.	.	S	Bend	trans	-85	-25	170.6	-60.8	109.5	0	0	0	112.4	W287 F288 L336 S337	W287-N315 HydrophobicContact CD2-CB 3.39Å; W287-N315 HydrophobicContact CE3-CB 3.61Å; W287-N315 HydrophobicContact CG-CB 4.04Å; W287-N315 HydrophobicContact CH2-CB 3.79Å; W287-N315 HydrophobicContact CZ2-CB 3.55Å; W287-N315 WeakPolarHBondContact CZ2-O 3.17Å; W287-N315 HydrophobicContact CZ3-CB 3.81Å; F288-N315 PolarHBondContact N-OD1 3.06Å; F288-N315 WeakPolarHBondContact O-CA 3.34Å; F288-N315 PolarHBondContact O-N 2.98Å; N315-L336 CarbonylContact O-C 3.55Å; N315-L336 WeakPolarHBondContact O-CA 3.37Å; N315-S337 WeakPolarHBondContact CA-OG 3.2Å; N315-S337 PolarHBondContact O-N 3.05Å; N315-S337 PolarHBondContact O-OG 3.3Å
316	S	98.9	Very high	97.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	156.6	169.9	53.3	0	0	0	0	112.7	I165 W287 F288 H289 V290 W335	I165-S316 VanDerWaalsContact CD1-OG 3.3Å; I165-S316 WeakPolarHBondContact CD1-OG 3.45Å; W287-S316 PolarHBondContact NE1-OG 2.76Å; F288-S316 PolarHBondContact O-N 2.82Å; H289-S316 CarbonylContact C-O 3.5Å; H289-S316 WeakPolarHBondContact CA-O 3.31Å; H289-S316 PolarHBondContact ND1-O 2.68Å; H289-S316 PolarHBondContact ND1-OG 3.23Å; V290-S316 PolarHBondContact N-O 3.03Å; S316-W335 CarbonylContact C-O 3.51Å; S316-W335 WeakPolarHBondContact CA-O 3.42Å; S316-W335 WeakPolarHBondContact CB-O 3.37Å
317	I	98.8	Very high	97.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	139	174.8	-179.5	169.4	0	0	0	110.2	L133 F137 V290 A292 I311 I319 W335	L133-I317 HydrophobicContact CD1-CG2 4.2Å; L133-I317 HydrophobicContact CD2-CD1 4.16Å; L133-I317 HydrophobicContact CD2-CG2 4.37Å; F137-I317 HydrophobicContact CE2-CG2 4.42Å; F137-I317 HydrophobicContact CZ-CG2 4.31Å; V290-I317 HydrophobicContact CB-CB 4.24Å; V290-I317 HydrophobicContact CB-CD1 4.39Å; V290-I317 HydrophobicContact CB-CG1 4.09Å; V290-I317 HydrophobicContact CG1-CD1 4.18Å; V290-I317 HydrophobicContact CG1-CG1 4.23Å; V290-I317 VanDerWaalsContact O-CA 3.31Å; V290-I317 WeakPolarHBondContact O-CA 3.4Å; A292-I317 HydrophobicContact CB-CD1 4.05Å; A292-I317 HydrophobicContact CB-CG1 4.14Å; I311-I317 HydrophobicContact CD1-CD1 3.91Å; I311-I317 HydrophobicContact CG1-CD1 4.29Å; I311-I317 HydrophobicContact CG2-CD1 4.49Å; I317-I319 HydrophobicContact CD1-CD1 4.5Å; I317-I319 HydrophobicContact CG1-CG1 4.39Å; I317-W335 HydrophobicContact CG2-CB 4.16Å; I317-W335 HydrophobicContact CG2-CE3 4.18Å; I317-W335 PolarHBondContact N-O 3.44Å; I317-W335 PolarHBondContact O-N 2.81Å
318	N	98.8	Very high	98	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	146.5	168.8	72.5	-90.7	0	0	0	112.9	A158 A161 H289 V290 D291 A292 A293 L333	A158-N318 WeakPolarHBondContact CB-ND2 3.34Å; A161-N318 HydrophobicContact CB-CB 4.15Å; H289-N318 PolarHBondContact CE1-OD1 3.34Å; H289-N318 VanDerWaalsContact CE1-OD1 3.22Å; H289-N318 PolarHBondContact NE2-OD1 3.44Å; V290-N318 PolarHBondContact O-N 2.96Å; V290-N318 VanDerWaalsContact O-N 3.11Å; D291-N318 WeakPolarHBondContact CA-OD1 3.5Å; D291-N318 PolarHBondContact OD1-ND2 3.08Å; D291-N318 PolarHBondContact OD1-OD1 3.46Å; A292-N318 CarbonylContact C-O 3.56Å; A292-N318 VanDerWaalsContact CA-O 3.27Å; A292-N318 WeakPolarHBondContact CA-O 3.32Å; A292-N318 WeakPolarHBondContact CB-O 3.24Å; A292-N318 PolarHBondContact N-O 3.46Å; A293-N318 PolarHBondContact N-O 3.01Å; N318-L333 CarbonylContact C-O 3.42Å; N318-L333 WeakPolarHBondContact CA-O 3.26Å; N318-L333 WeakPolarHBondContact CB-O 3.32Å
319	I	98.7	Very high	98.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	129.3	175.1	-54.9	178.8	0	0	0	108.6	L131 A292 I317 A321 L333 W335	L131-I319 HydrophobicContact CD1-CD1 3.67Å; L131-I319 HydrophobicContact CD2-CD1 4.06Å; L131-I319 HydrophobicContact CG-CD1 4.5Å; A292-I319 HydrophobicContact CB-CG1 4.14Å; I317-I319 HydrophobicContact CD1-CD1 4.5Å; I317-I319 HydrophobicContact CG1-CG1 4.39Å; I319-A321 PolarHBondContact O-N 2.92Å; I319-L333 PolarHBondContact N-O 2.95Å; I319-L333 WeakPolarHBondContact O-CB 3.37Å; I319-L333 PolarHBondContact O-N 2.87Å; I319-W335 HydrophobicContact CB-CZ3 4.31Å; I319-W335 HydrophobicContact CD1-CZ3 3.99Å; I319-W335 HydrophobicContact CG1-CZ3 4.12Å
320	N	98.7	Very high	98.1	Very high	8 Å²	8	19.4 Å²	19.4	4%	0.043	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	102.8	176.6	-68.9	-4.1	0	0	0	110	A158 A293 H322 K323 S332	A158-N320 PolarHBondContact N-OD1 3.46Å; A293-N320 VanDerWaalsContact O-CB 3.27Å; A293-N320 WeakPolarHBondContact O-CB 2.9Å; A293-N320 PolarHBondContact O-N 3.25Å; N320-H322 VanDerWaalsContact CB-CE1 3.45Å; N320-H322 WeakPolarHBondContact CB-CE1 3.35Å; N320-H322 PolarHBondContact ND2-CE1 3.34Å; N320-H322 PolarHBondContact ND2-NE2 3.23Å; N320-H322 PolarHBondContact O-N 3.45Å; N320-H322 VanDerWaalsContact O-N 3.16Å; N320-K323 HydrophobicContact CB-CB 4.15Å; N320-K323 HydrophobicContact CB-CD 4.04Å; N320-K323 HydrophobicContact CB-CG 3.75Å; N320-K323 PolarHBondContact O-N 3.26Å; N320-S332 PolarHBondContact OD1-OG 3.27Å; N320-S332 VanDerWaalsContact OD1-OG 3.08Å
321	A	98.5	Very high	98.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-57.5	-29.7	170.1	0	0	0	0	0	111.6	I319 K323 L325 V327 C331 L333 L379	I319-A321 PolarHBondContact O-N 2.92Å; A321-K323 PolarHBondContact O-N 2.89Å; A321-L325 HydrophobicContact CB-CB 4.07Å; A321-L325 HydrophobicContact CB-CD1 4Å; A321-L325 HydrophobicContact CB-CG 4.43Å; A321-L325 WeakPolarHBondContact O-CA 3.43Å; A321-L325 WeakPolarHBondContact O-CB 3.23Å; A321-L325 PolarHBondContact O-N 2.9Å; A321-V327 HydrophobicContact CB-CB 4.18Å; A321-V327 HydrophobicContact CB-CG2 4.02Å; A321-C331 HydrophobicContact CB-CB 4.16Å; A321-C331 PolarHBondContact N-O 3.32Å; A321-C331 VanDerWaalsContact N-O 3.09Å; A321-L333 HydrophobicContact CB-CD1 4.17Å; A321-L333 HydrophobicContact CB-CD2 4.23Å; A321-L333 HydrophobicContact CB-CG 4.12Å; A321-L379 HydrophobicContact CB-CD1 4.33Å
322	H	98	Very high	98.1	Very high	12 Å²	12	18.9 Å²	18.9	6%	0.056	9%	0.091	C	C	.	.	H	α-helix	trans	-74.1	-0	175.4	68.7	-96.2	0	0	0	116.3	T87 A88 N320 V327 F329 C331	T87-H322 CarbonylContact C-O 3.6Å; T87-H322 WeakPolarHBondContact CA-O 3.32Å; A88-H322 PolarHBondContact N-O 3.48Å; N320-H322 VanDerWaalsContact CB-CE1 3.45Å; N320-H322 WeakPolarHBondContact CB-CE1 3.35Å; N320-H322 PolarHBondContact ND2-CE1 3.34Å; N320-H322 PolarHBondContact ND2-NE2 3.23Å; N320-H322 PolarHBondContact O-N 3.45Å; N320-H322 VanDerWaalsContact O-N 3.16Å; H322-V327 WeakPolarHBondContact CA-O 3.45Å; H322-F329 HydrophobicContact CB-CB 4.25Å; H322-F329 AromaticContact CD2-CD2 3.64Å; H322-F329 AromaticContact CG-CD2 3.85Å; H322-F329 AromaticContact NE2-CD2 3.78Å; H322-C331 HydrophobicContact CB-CB 4.44Å; H322-C331 PolarHBondContact N-O 3.07Å; H322-C331 VanDerWaalsContact ND1-C 3.3Å; H322-C331 PolarHBondContact ND1-N 2.91Å; H322-C331 PolarHBondContact ND1-O 2.94Å
323	K	97.8	Very high	98.2	Very high	35 Å²	35	14.5 Å²	14.5	15%	0.152	7%	0.07	C	C	.	.	H	α-helix	trans	-94.1	-60.1	171.8	-74.7	-173.3	179.6	173.9	0	112	P86 A88 Y294 N320 A321 H493	P86-K323 VanDerWaalsContact O-CA 3.29Å; P86-K323 WeakPolarHBondContact O-CA 3.33Å; A88-K323 WeakPolarHBondContact CB-O 3.38Å; A88-K323 PolarHBondContact N-O 3.16Å; Y294-K323 HydrophobicContact CD2-CB 4.48Å; Y294-K323 HydrophobicContact CD2-CD 4.24Å; N320-K323 HydrophobicContact CB-CB 4.15Å; N320-K323 HydrophobicContact CB-CD 4.04Å; N320-K323 HydrophobicContact CB-CG 3.75Å; N320-K323 PolarHBondContact O-N 3.26Å; A321-K323 PolarHBondContact O-N 2.89Å; K323-H493 PolarHBondContact O-CE1 3.01Å
324	L	96.4	Very high	98.2	Very high	4 Å²	4	12.8 Å²	12.8	2%	0.021	6%	0.061	C	C	.	.	H	α-helix	trans	-122	-5.5	-172.3	-76.1	-177.7	0	0	0	115.7	P86 Y294 L395 F423 H493	P86-L324 HydrophobicContact CG-CD2 3.6Å; P86-L324 HydrophobicContact CG-CG 4.27Å; Y294-L324 HydrophobicContact CD2-CD1 3.86Å; Y294-L324 HydrophobicContact CD2-CG 4.09Å; Y294-L324 HydrophobicContact CE2-CD1 3.46Å; Y294-L324 VanDerWaalsContact CE2-CD1 3.46Å; Y294-L324 HydrophobicContact CE2-CD2 4.22Å; Y294-L324 HydrophobicContact CE2-CG 3.8Å; L324-L395 HydrophobicContact CB-CD2 3.95Å; L324-L395 HydrophobicContact CD1-CD2 4.26Å; L324-F423 HydrophobicContact CD1-CE1 3.49Å; L324-F423 VanDerWaalsContact CD1-CE1 3.49Å; L324-F423 HydrophobicContact CD1-CZ 3.65Å; L324-H493 PolarHBondContact O-NE2 3.17Å
325	L	96.9	Very high	98.2	Very high	4 Å²	4	12.8 Å²	12.8	2%	0.021	6%	0.061	C	C	.	.	S	Bend	trans	-98.7	26.1	-175.7	-57.2	-175.1	0	0	0	114.5	S297 L300 A321 V327 L333 V382 I391	S297-L325 WeakPolarHBondContact OG-CD2 3.28Å; S297-L325 WeakPolarHBondContact OG-CG 3.19Å; L300-L325 HydrophobicContact CD1-CD2 3.36Å; L300-L325 HydrophobicContact CG-CD2 4.46Å; A321-L325 HydrophobicContact CB-CB 4.07Å; A321-L325 HydrophobicContact CB-CD1 4Å; A321-L325 HydrophobicContact CB-CG 4.43Å; A321-L325 WeakPolarHBondContact O-CA 3.43Å; A321-L325 WeakPolarHBondContact O-CB 3.23Å; A321-L325 PolarHBondContact O-N 2.9Å; L325-V327 WeakPolarHBondContact O-CG2 3.22Å; L325-V327 PolarHBondContact O-N 3.07Å; L325-L333 HydrophobicContact CD1-CD1 4.37Å; L325-V382 WeakPolarHBondContact O-CG1 3.45Å; L325-I391 HydrophobicContact CD2-CG2 4.24Å
326	L	97.3	Very high	98.2	Very high	7 Å²	7	10.7 Å²	10.7	4%	0.037	5%	0.05	C	C	.	.	S	Bend	trans	63.1	7.8	175.3	-57.8	166.4	0	0	0	115.5	S90 V382 Y386 I391 L394 H493	S90-L326 VanDerWaalsContact CB-O 3.29Å; S90-L326 WeakPolarHBondContact CB-O 3.47Å; S90-L326 PolarHBondContact N-O 3.25Å; S90-L326 PolarHBondContact OG-O 3.47Å; L326-V382 HydrophobicContact CB-CG1 3.86Å; L326-Y386 HydrophobicContact CD1-CD1 3.81Å; L326-Y386 HydrophobicContact CD1-CD2 4.06Å; L326-Y386 HydrophobicContact CD1-CE1 3.97Å; L326-Y386 HydrophobicContact CD1-CE2 4.2Å; L326-Y386 HydrophobicContact CD1-CG 3.86Å; L326-I391 HydrophobicContact CD1-CG1 4.17Å; L326-L394 HydrophobicContact CD1-CD1 3.68Å; L326-L394 HydrophobicContact CD2-CD1 4.22Å; L326-L394 HydrophobicContact CG-CD1 4.46Å; L326-H493 HydrophobicContact CD2-CB 4.16Å; L326-H493 WeakPolarHBondContact CD2-CD2 3.25Å
327	V	98.4	Very high	98.1	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.058	C	C	.	.	P	Polyproline II helix	trans	-92.4	133.5	178.4	-172.5	0	0	0	0	109.2	A88 S93 A321 H322 L325 C331 K378 L379 V382	A88-V327 VanDerWaalsContact O-O 3.07Å; S93-V327 WeakPolarHBondContact OG-CA 3.4Å; A321-V327 HydrophobicContact CB-CB 4.18Å; A321-V327 HydrophobicContact CB-CG2 4.02Å; H322-V327 WeakPolarHBondContact CA-O 3.45Å; L325-V327 WeakPolarHBondContact O-CG2 3.22Å; L325-V327 PolarHBondContact O-N 3.07Å; V327-C331 HydrophobicContact CB-CB 4.41Å; V327-C331 HydrophobicContact CG1-CB 3.69Å; V327-K378 HydrophobicContact CG1-CD 3.56Å; V327-K378 HydrophobicContact CG1-CG 3.92Å; V327-L379 HydrophobicContact CG2-CD1 3.68Å; V327-V382 HydrophobicContact CG2-CB 4.24Å; V327-V382 HydrophobicContact CG2-CG1 4.35Å; V327-V382 HydrophobicContact CG2-CG2 4.08Å
328	N	97.1	Very high	98	Very high	25 Å²	25	13.2 Å²	13.2	13%	0.134	7%	0.065	C	C	.	.	P	Polyproline II helix	trans	-69.4	152.3	174.3	65.8	-87.7	0	0	0	111.7	A88 S93 D97 K378	A88-N328 VanDerWaalsContact O-CA 3.3Å; A88-N328 WeakPolarHBondContact O-CA 3.41Å; S93-N328 WeakPolarHBondContact CB-OD1 3.21Å; S93-N328 PolarHBondContact O-OD1 3.41Å; S93-N328 PolarHBondContact OG-N 2.77Å; S93-N328 PolarHBondContact OG-OD1 3.15Å; D97-N328 PolarHBondContact OD2-ND2 3.44Å; N328-K378 PolarHBondContact ND2-NZ 3.12Å; N328-K378 PolarHBondContact O-NZ 3.26Å
329	F	97.9	Very high	97.9	Very high	112 Å²	112	15.4 Å²	15.4	49%	0.491	8%	0.076	S	C	.	.	S	Bend	trans	-58.3	142.8	171.9	-176.3	-89.7	0	0	0	111	T87 V156 H322	T87-F329 HydrophobicContact CG2-CB 4.17Å; V156-F329 HydrophobicContact CG1-CZ 4.08Å; H322-F329 HydrophobicContact CB-CB 4.25Å; H322-F329 AromaticContact CD2-CD2 3.64Å; H322-F329 AromaticContact CG-CD2 3.85Å; H322-F329 AromaticContact NE2-CD2 3.78Å
330	D	97.6	Very high	97.7	Very high	18 Å²	18	16.5 Å²	16.5	10%	0.096	8%	0.082	C	C	.	.	S	Bend	cis	-88.4	142.6	-4.6	64.1	-40.3	0	0	0	112.8	V156 R373 R375 K378	V156-D330 HydrophobicContact CB-CB 4.43Å; V156-D330 HydrophobicContact CG1-CB 3.84Å; V156-D330 WeakPolarHBondContact O-CB 3.34Å; D330-R373 IonicContact OD1-CZ 3.96Å; D330-R373 IonicContact OD1-NE 3.24Å; D330-R373 PolarHBondContact OD1-NE 3.07Å; D330-R373 IonicContact OD1-NH2 3.36Å; D330-R373 PolarHBondContact OD1-NH2 3.39Å; D330-R373 IonicContact OD2-NE 2.76Å; D330-R375 IonicContact OD2-CZ 3.67Å; D330-R375 IonicContact OD2-NE 2.73Å; D330-R375 PolarHBondContact OD2-NE 3.43Å; D330-R375 IonicContact OD2-NH2 3.52Å; D330-R375 PolarHBondContact OD2-NH2 3.36Å; D330-R375 VanDerWaalsContact OD2-NH2 3.14Å; D330-K378 WeakPolarHBondContact O-CE 3.34Å; D330-K378 PolarHBondContact O-NZ 3.11Å
331	C	98.4	Very high	97.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.08	C	C	.	.			trans	-171.5	92.9	171.2	-165	0	0	0	0	110.6	A321 H322 V327	A321-C331 HydrophobicContact CB-CB 4.16Å; A321-C331 PolarHBondContact N-O 3.32Å; A321-C331 VanDerWaalsContact N-O 3.09Å; H322-C331 HydrophobicContact CB-CB 4.44Å; H322-C331 PolarHBondContact N-O 3.07Å; H322-C331 VanDerWaalsContact ND1-C 3.3Å; H322-C331 PolarHBondContact ND1-N 2.91Å; H322-C331 PolarHBondContact ND1-O 2.94Å; V327-C331 HydrophobicContact CB-CB 4.41Å; V327-C331 HydrophobicContact CG1-CB 3.69Å
332	S	98.4	Very high	97.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	120.1	176.3	-178.5	0	0	0	0	109.2	I154 E155 S157 A158 N320	I154-S332 CarbonylContact C-O 3.56Å; I154-S332 WeakPolarHBondContact CA-O 3.45Å; E155-S332 PolarHBondContact N-O 3.34Å; E155-S332 WeakPolarHBondContact O-CB 3.31Å; E155-S332 PolarHBondContact O-N 3.39Å; S157-S332 VanDerWaalsContact C-CB 3.44Å; S157-S332 VanDerWaalsContact C-OG 3.29Å; A158-S332 PolarHBondContact N-OG 2.96Å; N320-S332 PolarHBondContact OD1-OG 3.27Å; N320-S332 VanDerWaalsContact OD1-OG 3.08Å
333	L	98.7	Very high	97.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	129.7	-179.1	-43.9	178.9	0	0	0	107.9	L124 L127 I154 N318 I319 A321 L325 W335 L379	L124-L333 HydrophobicContact CD2-CB 4.26Å; L124-L333 HydrophobicContact CD2-CD2 3.88Å; L124-L333 HydrophobicContact CD2-CG 4.48Å; L127-L333 HydrophobicContact CD1-CD1 3.48Å; L127-L333 VanDerWaalsContact CD1-CD1 3.48Å; I154-L333 HydrophobicContact CG1-CD2 4.09Å; N318-L333 CarbonylContact C-O 3.42Å; N318-L333 WeakPolarHBondContact CA-O 3.26Å; N318-L333 WeakPolarHBondContact CB-O 3.32Å; I319-L333 PolarHBondContact N-O 2.95Å; I319-L333 WeakPolarHBondContact O-CB 3.37Å; I319-L333 PolarHBondContact O-N 2.87Å; A321-L333 HydrophobicContact CB-CD1 4.17Å; A321-L333 HydrophobicContact CB-CD2 4.23Å; A321-L333 HydrophobicContact CB-CG 4.12Å; L325-L333 HydrophobicContact CD1-CD1 4.37Å; L333-W335 HydrophobicContact CB-CE3 4.23Å; L333-W335 HydrophobicContact CB-CH2 3.44Å; L333-W335 VanDerWaalsContact CB-CH2 3.44Å; L333-W335 HydrophobicContact CB-CZ2 4.15Å; L333-W335 HydrophobicContact CB-CZ3 3.47Å; L333-W335 VanDerWaalsContact CB-CZ3 3.47Å; L333-W335 HydrophobicContact CD1-CH2 3.51Å; L333-W335 HydrophobicContact CD1-CZ2 4.26Å; L333-W335 HydrophobicContact CD1-CZ3 4.23Å; L333-W335 HydrophobicContact CG-CH2 4.12Å; L333-L379 HydrophobicContact CD2-CD2 3.73Å
334	L	98.7	Very high	97.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	126.2	175.7	166.8	61.6	0	0	0	108.5	G152 V153 E155 A161 I165 L336	G152-L334 CarbonylContact C-O 3.52Å; G152-L334 VanDerWaalsContact CA-O 3.25Å; G152-L334 WeakPolarHBondContact CA-O 3.26Å; V153-L334 HydrophobicContact CG1-CB 4.01Å; V153-L334 HydrophobicContact CG1-CD2 3.89Å; V153-L334 HydrophobicContact CG1-CG 4.08Å; V153-L334 PolarHBondContact N-O 3.06Å; V153-L334 PolarHBondContact O-N 3.1Å; E155-L334 HydrophobicContact CG-CB 4.41Å; E155-L334 HydrophobicContact CG-CD2 4.3Å; A161-L334 HydrophobicContact CB-CB 4.23Å; A161-L334 HydrophobicContact CB-CD1 4.44Å; A161-L334 HydrophobicContact CB-CD2 4.08Å; A161-L334 HydrophobicContact CB-CG 4.47Å; I165-L334 HydrophobicContact CD1-CD1 3.72Å; I165-L334 HydrophobicContact CD1-CD2 4.45Å; I165-L334 HydrophobicContact CG1-CD1 4.4Å; I165-L334 HydrophobicContact CG1-CD2 4.39Å; L334-L336 HydrophobicContact CD1-CD1 4.44Å; L334-L336 HydrophobicContact CD1-CG 4.39Å; L334-L336 HydrophobicContact CD2-CD1 4.06Å; L334-L336 HydrophobicContact CG-CD1 3.89Å; L334-L336 HydrophobicContact CG-CG 4.37Å
335	W	98.8	Very high	97.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	141.6	168.9	-64.9	-92.2	0	0	0	110.6	L124 L127 L131 L133 F137 G151 S316 I317 I319 L333	L124-W335 HydrophobicContact CD2-CZ2 3.89Å; L124-W335 PolarHBondContact O-NE1 3.32Å; L127-W335 HydrophobicContact CB-CH2 4.18Å; L127-W335 HydrophobicContact CB-CZ2 3.71Å; L131-W335 HydrophobicContact CD1-CH2 3.57Å; L131-W335 HydrophobicContact CD1-CZ2 4.22Å; L131-W335 HydrophobicContact CD1-CZ3 4.07Å; L133-W335 HydrophobicContact CD1-CD2 3.91Å; L133-W335 HydrophobicContact CD1-CE3 3.89Å; L133-W335 HydrophobicContact CD1-CG 4.36Å; L133-W335 HydrophobicContact CD1-CH2 4.45Å; L133-W335 HydrophobicContact CD1-CZ3 4.16Å; F137-W335 HydrophobicContact CB-CB 4Å; F137-W335 HydrophobicContact CB-CG 4.32Å; F137-W335 HydrophobicContact CD1-CB 3.72Å; F137-W335 HydrophobicContact CE1-CB 4.41Å; F137-W335 HydrophobicContact CG-CB 3.98Å; G151-W335 WeakPolarHBondContact O-CA 3.43Å; S316-W335 CarbonylContact C-O 3.51Å; S316-W335 WeakPolarHBondContact CA-O 3.42Å; S316-W335 WeakPolarHBondContact CB-O 3.37Å; I317-W335 HydrophobicContact CG2-CB 4.16Å; I317-W335 HydrophobicContact CG2-CE3 4.18Å; I317-W335 PolarHBondContact N-O 3.44Å; I317-W335 PolarHBondContact O-N 2.81Å; I319-W335 HydrophobicContact CB-CZ3 4.31Å; I319-W335 HydrophobicContact CD1-CZ3 3.99Å; I319-W335 HydrophobicContact CG1-CZ3 4.12Å; L333-W335 HydrophobicContact CB-CE3 4.23Å; L333-W335 HydrophobicContact CB-CH2 3.44Å; L333-W335 VanDerWaalsContact CB-CH2 3.44Å; L333-W335 HydrophobicContact CB-CZ2 4.15Å; L333-W335 HydrophobicContact CB-CZ3 3.47Å; L333-W335 VanDerWaalsContact CB-CZ3 3.47Å; L333-W335 HydrophobicContact CD1-CH2 3.51Å; L333-W335 HydrophobicContact CD1-CZ2 4.26Å; L333-W335 HydrophobicContact CD1-CZ3 4.23Å; L333-W335 HydrophobicContact CG-CH2 4.12Å
336	L	98.5	Very high	97	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	142.1	175.3	-53.9	98.9	0	0	0	109.2	F137 G150 G151 V153 I165 W287 N315 L334 V341 I342 W366	F137-L336 VanDerWaalsContact CD1-C 3.45Å; G150-L336 CarbonylContact C-O 3.59Å; G150-L336 VanDerWaalsContact CA-O 3.24Å; G150-L336 WeakPolarHBondContact CA-O 3.36Å; G151-L336 PolarHBondContact N-O 2.9Å; G151-L336 PolarHBondContact O-N 3.47Å; V153-L336 HydrophobicContact CG1-CD1 4.46Å; I165-L336 HydrophobicContact CG1-CD2 4.39Å; W287-L336 HydrophobicContact CH2-CD2 4.43Å; W287-L336 HydrophobicContact CZ2-CD2 4.18Å; N315-L336 CarbonylContact O-C 3.55Å; N315-L336 WeakPolarHBondContact O-CA 3.37Å; L334-L336 HydrophobicContact CD1-CD1 4.44Å; L334-L336 HydrophobicContact CD1-CG 4.39Å; L334-L336 HydrophobicContact CD2-CD1 4.06Å; L334-L336 HydrophobicContact CG-CD1 3.89Å; L334-L336 HydrophobicContact CG-CG 4.37Å; L336-V341 HydrophobicContact CD2-CG1 3.68Å; L336-I342 HydrophobicContact CD1-CD1 3.74Å; L336-I342 HydrophobicContact CD2-CD1 3.84Å; L336-I342 HydrophobicContact CD2-CG1 4.18Å; L336-I342 HydrophobicContact CD2-CG2 4.19Å; L336-I342 HydrophobicContact CG-CD1 4.48Å; L336-W366 HydrophobicContact CD1-CE3 4.37Å; L336-W366 HydrophobicContact CD1-CZ3 4.49Å
337	S	97.5	Very high	96.7	Very high	25 Å²	25	26.3 Å²	26.3	18%	0.175	14%	0.136	C	C	.	.	S	Bend	trans	-77	-17.2	168.9	67.1	0	0	0	0	112	K149 G150 N315	K149-S337 CarbonylContact C-O 3.52Å; G150-S337 PolarHBondContact N-O 3.39Å; N315-S337 WeakPolarHBondContact CA-OG 3.2Å; N315-S337 PolarHBondContact O-N 3.05Å; N315-S337 PolarHBondContact O-OG 3.3Å
338	D	96.9	Very high	96.1	Very high	27 Å²	27	31.3 Å²	31.3	14%	0.144	17%	0.166	C	C	.	.			trans	-148.9	95.3	178	177.9	9.6	0	0	0	110	K149 R172 W287 T340 V341	K149-D338 HydrophobicContact CB-CB 4.22Å; K149-D338 WeakPolarHBondContact CB-OD1 3.44Å; K149-D338 WeakPolarHBondContact CD-OD1 3.37Å; K149-D338 CarbonylContact O-C 3.55Å; K149-D338 VanDerWaalsContact O-CA 3.26Å; K149-D338 WeakPolarHBondContact O-CA 3.42Å; R172-D338 IonicContact CZ-OD2 2.68Å; R172-D338 VanDerWaalsContact CZ-OD2 3.22Å; R172-D338 IonicContact NH1-OD2 2.76Å; R172-D338 PolarHBondContact NH1-OD2 2.89Å; R172-D338 IonicContact NH2-OD1 3.69Å; R172-D338 IonicContact NH2-OD2 3.49Å; R172-D338 PolarHBondContact NH2-OD2 3.14Å; W287-D338 HydrophobicContact CH2-CB 4.43Å; W287-D338 HydrophobicContact CZ3-CB 4.4Å; D338-T340 PolarHBondContact O-N 3.09Å; D338-T340 VanDerWaalsContact OD1-CB 3.31Å; D338-T340 WeakPolarHBondContact OD1-CB 3.33Å; D338-T340 PolarHBondContact OD1-N 3.42Å; D338-T340 PolarHBondContact OD1-OG1 2.97Å; D338-T340 PolarHBondContact OD2-OG1 3.01Å; D338-V341 VanDerWaalsContact O-CG1 3.3Å; D338-V341 WeakPolarHBondContact O-CG1 3.49Å; D338-V341 PolarHBondContact O-N 3.43Å
339	H	95.8	Very high	95.6	Very high	47 Å²	47	33.5 Å²	33.5	22%	0.218	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-18.1	178.4	75.8	73.7	0	0	0	112.8	K149 V341 I342 S343 W366	K149-H339 PolarHBondContact O-CD2 3.2Å; K149-H339 PolarHBondContact O-N 3.42Å; H339-V341 PolarHBondContact O-N 2.88Å; H339-I342 WeakPolarHBondContact O-CG1 3.24Å; H339-I342 PolarHBondContact O-N 3.31Å; H339-S343 PolarHBondContact ND1-OG 3.09Å; H339-S343 VanDerWaalsContact ND1-OG 3.12Å; H339-S343 PolarHBondContact O-N 2.79Å; H339-S343 PolarHBondContact O-OG 3.18Å; H339-W366 HydrophobicContact CB-CD2 4.06Å; H339-W366 HydrophobicContact CB-CE3 4.07Å; H339-W366 HydrophobicContact CB-CH2 3.32Å; H339-W366 HydrophobicContact CB-CZ2 3.25Å; H339-W366 HydrophobicContact CB-CZ3 3.73Å; H339-W366 AromaticContact CD2-CH2 3.83Å; H339-W366 AromaticContact CD2-CZ2 3.48Å; H339-W366 VanDerWaalsContact CD2-CZ2 3.48Å; H339-W366 WeakPolarHBondContact CD2-CZ2 3.29Å; H339-W366 AromaticContact CG-CE2 3.69Å; H339-W366 AromaticContact CG-CH2 3.62Å; H339-W366 AromaticContact CG-CZ2 3.14Å; H339-W366 AromaticContact ND1-CE2 3.79Å; H339-W366 AromaticContact ND1-CZ2 3.57Å; H339-W366 AromaticContact ND1-NE1 3.8Å
340	T	95.3	Very high	95.1	Very high	22 Å²	22	29.8 Å²	29.8	14%	0.135	17%	0.165	C	C	.	.	H	α-helix	trans	-66.3	-9.6	-178.2	70.8	0	0	0	0	112.3	K149 R172 D338 I342 S343 N344	K149-T340 HydrophobicContact CD-CG2 4.01Å; K149-T340 HydrophobicContact CG-CG2 4.36Å; R172-T340 PolarHBondContact NH2-O 3.3Å; R172-T340 PolarHBondContact NH2-OG1 3.43Å; D338-T340 PolarHBondContact O-N 3.09Å; D338-T340 VanDerWaalsContact OD1-CB 3.31Å; D338-T340 WeakPolarHBondContact OD1-CB 3.33Å; D338-T340 PolarHBondContact OD1-N 3.42Å; D338-T340 PolarHBondContact OD1-OG1 2.97Å; D338-T340 PolarHBondContact OD2-OG1 3.01Å; T340-I342 VanDerWaalsContact C-N 3.33Å; T340-S343 WeakPolarHBondContact CA-OG 3.35Å; T340-N344 VanDerWaalsContact O-CB 3.3Å; T340-N344 WeakPolarHBondContact O-CB 3.47Å; T340-N344 VanDerWaalsContact O-CG 3.31Å; T340-N344 PolarHBondContact O-N 3.02Å
341	V	96.8	Very high	94.7	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	20%	0.196	C	C	.	.	H	α-helix	trans	-69.8	-35.5	175.3	76.5	0	0	0	0	111.2	G168 I169 R172 W287 L336 D338 H339	G168-V341 CarbonylContact C-O 3.54Å; G168-V341 WeakPolarHBondContact CA-O 3.46Å; I169-V341 HydrophobicContact CD1-CG2 3.39Å; I169-V341 HydrophobicContact CG1-CG2 3.8Å; R172-V341 HydrophobicContact CB-CG2 4.49Å; W287-V341 HydrophobicContact CE3-CG2 4.49Å; W287-V341 HydrophobicContact CH2-CB 4.18Å; W287-V341 HydrophobicContact CH2-CG1 3.66Å; W287-V341 HydrophobicContact CZ2-CG1 4.1Å; W287-V341 HydrophobicContact CZ3-CB 4.13Å; W287-V341 HydrophobicContact CZ3-CG1 4.11Å; W287-V341 HydrophobicContact CZ3-CG2 4.24Å; L336-V341 HydrophobicContact CD2-CG1 3.68Å; D338-V341 VanDerWaalsContact O-CG1 3.3Å; D338-V341 WeakPolarHBondContact O-CG1 3.49Å; D338-V341 PolarHBondContact O-N 3.43Å; H339-V341 PolarHBondContact O-N 2.88Å
342	I	97	Very high	94.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-99.3	-41.6	178.3	57.8	178.2	0	0	0	110.5	T164 L336 H339 T340 N344 A345 F346 N365 W366	T164-I342 HydrophobicContact CG2-CB 4.3Å; T164-I342 HydrophobicContact CG2-CD1 4.44Å; T164-I342 HydrophobicContact CG2-CG2 3.89Å; L336-I342 HydrophobicContact CD1-CD1 3.74Å; L336-I342 HydrophobicContact CD2-CD1 3.84Å; L336-I342 HydrophobicContact CD2-CG1 4.18Å; L336-I342 HydrophobicContact CD2-CG2 4.19Å; L336-I342 HydrophobicContact CG-CD1 4.48Å; H339-I342 WeakPolarHBondContact O-CG1 3.24Å; H339-I342 PolarHBondContact O-N 3.31Å; T340-I342 VanDerWaalsContact C-N 3.33Å; I342-N344 VanDerWaalsContact C-N 3.34Å; I342-N344 PolarHBondContact O-N 3.28Å; I342-A345 PolarHBondContact O-N 3.45Å; I342-A345 VanDerWaalsContact O-N 3.12Å; I342-F346 HydrophobicContact CB-CD2 4.06Å; I342-F346 HydrophobicContact CB-CE2 3.83Å; I342-F346 HydrophobicContact CG2-CE2 4.1Å; I342-F346 WeakPolarHBondContact O-CD2 3.48Å; I342-F346 PolarHBondContact O-N 3.15Å; I342-N365 CarbonylContact C-O 3.5Å; I342-W366 HydrophobicContact CD1-CB 3.8Å; I342-W366 HydrophobicContact CD1-CD2 4.27Å; I342-W366 HydrophobicContact CD1-CE3 4.29Å; I342-W366 HydrophobicContact CD1-CG 4.07Å; I342-W366 HydrophobicContact CG1-CB 4.45Å; I342-W366 HydrophobicContact CG1-CG 4.42Å
343	S	94.7	Very high	93.5	Very high	12 Å²	12	45.3 Å²	45.3	8%	0.084	24%	0.235	C	C	.	.	H	α-helix	trans	-64.4	-37.6	-174.5	71.2	0	0	0	0	112.9	H339 T340 Q347 N365	H339-S343 PolarHBondContact ND1-OG 3.09Å; H339-S343 VanDerWaalsContact ND1-OG 3.12Å; H339-S343 PolarHBondContact O-N 2.79Å; H339-S343 PolarHBondContact O-OG 3.18Å; T340-S343 WeakPolarHBondContact CA-OG 3.35Å; S343-Q347 VanDerWaalsContact O-CB 3.32Å; S343-Q347 WeakPolarHBondContact O-CB 3.48Å; S343-Q347 PolarHBondContact O-N 3.42Å; S343-N365 VanDerWaalsContact CA-O 3.26Å; S343-N365 WeakPolarHBondContact CA-O 3.38Å
344	N	94.2	Very high	92.6	Very high	86 Å²	86	49.6 Å²	49.6	46%	0.46	26%	0.255	S	S	.	.	H	α-helix	trans	-76.5	-27.6	177.6	-63.6	-1.2	0	0	0	112.6	T340 I342	T340-N344 VanDerWaalsContact O-CB 3.3Å; T340-N344 WeakPolarHBondContact O-CB 3.47Å; T340-N344 VanDerWaalsContact O-CG 3.31Å; T340-N344 PolarHBondContact O-N 3.02Å; I342-N344 VanDerWaalsContact C-N 3.34Å; I342-N344 PolarHBondContact O-N 3.28Å
345	A	94.6	Very high	91.5	Very high	27 Å²	27	54.3 Å²	54.3	22%	0.223	28%	0.28	C	S	.	.	H	α-helix	trans	-76.3	-34.1	-178.9	0	0	0	0	0	112.2	D171 I342	D171-A345 HydrophobicContact CB-CB 3.71Å; D171-A345 WeakPolarHBondContact OD2-CA 3.26Å; I342-A345 PolarHBondContact O-N 3.45Å; I342-A345 VanDerWaalsContact O-N 3.12Å
346	F	94.1	Very high	90.1	Very high	46 Å²	46	59 Å²	59	20%	0.202	31%	0.309	C	S	.	.	H	α-helix	trans	-103.6	1.6	-177.3	-53.4	-46.5	0	0	0	114.1	T164 L167 I342 V348	T164-F346 HydrophobicContact CG2-CD2 4.39Å; T164-F346 HydrophobicContact CG2-CE2 3.5Å; T164-F346 HydrophobicContact CG2-CZ 4.19Å; T164-F346 WeakPolarHBondContact O-CZ 3.41Å; L167-F346 HydrophobicContact CB-CE1 3.88Å; L167-F346 HydrophobicContact CB-CZ 3.69Å; L167-F346 HydrophobicContact CD1-CE1 4.29Å; L167-F346 HydrophobicContact CD1-CZ 4.3Å; I342-F346 HydrophobicContact CB-CD2 4.06Å; I342-F346 HydrophobicContact CB-CE2 3.83Å; I342-F346 HydrophobicContact CG2-CE2 4.1Å; I342-F346 WeakPolarHBondContact O-CD2 3.48Å; I342-F346 PolarHBondContact O-N 3.15Å; F346-V348 PolarHBondContact O-N 3.04Å; F346-V348 VanDerWaalsContact O-N 3.14Å
347	Q	91.2	Very high	88.9	Confident	105 Å²	105	60.5 Å²	60.5	49%	0.491	32%	0.319	S	S	.	.			trans	-63.4	118.6	-179	-169.6	173.7	12.9	0	0	111.1	S343	S343-Q347 VanDerWaalsContact O-CB 3.32Å; S343-Q347 WeakPolarHBondContact O-CB 3.48Å; S343-Q347 PolarHBondContact O-N 3.42Å
348	V	86.2	Confident	87.9	Confident	104 Å²	104	68.7 Å²	68.7	63%	0.63	36%	0.355	S	S	*	.			trans	-129	127.3	165	-168.2	0	0	0	0	107.4	F346 P350 R364	F346-V348 PolarHBondContact O-N 3.04Å; F346-V348 VanDerWaalsContact O-N 3.14Å; V348-P350 WeakPolarHBondContact O-CD 3.3Å; V348-R364 PolarHBondContact O-NH1 2.87Å
349	N	86	Confident	87.1	Confident	72 Å²	72	69.8 Å²	69.8	39%	0.385	37%	0.372	S	S	.	.			trans	-120.1	59	-169.3	-160.7	33.7	0	0	0	114	Q354 R364	N349-Q354 PolarHBondContact O-NE2 3.23Å; N349-Q354 VanDerWaalsContact O-NE2 3.1Å; N349-Q354 WeakPolarHBondContact OD1-CG 3.32Å; N349-R364 PolarHBondContact OD1-NH2 2.63Å
350	P	87.8	Confident	86.7	Confident	33 Å²	33	69.7 Å²	69.7	21%	0.214	37%	0.372	C	S	.	.			trans	-67	150.3	176	33.4	-35.1	0	0	0	110	V348 Y352 L353 Q354	V348-P350 WeakPolarHBondContact O-CD 3.3Å; P350-Y352 HydrophobicContact CB-CD1 3.92Å; P350-Y352 HydrophobicContact CB-CE1 3.45Å; P350-Y352 VanDerWaalsContact CB-CE1 3.45Å; P350-Y352 HydrophobicContact CB-CE2 4.29Å; P350-Y352 HydrophobicContact CG-CD1 4.33Å; P350-Y352 HydrophobicContact CG-CD2 4.26Å; P350-Y352 HydrophobicContact CG-CE1 3.81Å; P350-Y352 HydrophobicContact CG-CE2 3.7Å; P350-Y352 VanDerWaalsContact CG-CZ 3.43Å; P350-Y352 PolarHBondContact O-N 2.97Å; P350-L353 HydrophobicContact CG-CB 4.12Å; P350-L353 HydrophobicContact CG-CD1 3.71Å; P350-L353 HydrophobicContact CG-CG 3.86Å; P350-L353 PolarHBondContact O-N 2.86Å; P350-Q354 PolarHBondContact O-N 3.39Å
351	L	88.6	Confident	86.5	Confident	143 Å²	143	69.4 Å²	69.4	75%	0.749	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-50.7	-37.6	-174.8	-174.9	64.2	0	0	0	113.4	L353 Q354	L351-L353 PolarHBondContact O-N 2.98Å; L351-Q354 PolarHBondContact O-N 3.47Å
352	Y	86.2	Confident	86.1	Confident	185 Å²	185	71 Å²	71	73%	0.725	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-72.9	-6.2	-179.4	60.5	-100	0	0	0	114.8	P350	P350-Y352 HydrophobicContact CB-CD1 3.92Å; P350-Y352 HydrophobicContact CB-CE1 3.45Å; P350-Y352 VanDerWaalsContact CB-CE1 3.45Å; P350-Y352 HydrophobicContact CB-CE2 4.29Å; P350-Y352 HydrophobicContact CG-CD1 4.33Å; P350-Y352 HydrophobicContact CG-CD2 4.26Å; P350-Y352 HydrophobicContact CG-CE1 3.81Å; P350-Y352 HydrophobicContact CG-CE2 3.7Å; P350-Y352 VanDerWaalsContact CG-CZ 3.43Å; P350-Y352 PolarHBondContact O-N 2.97Å
353	L	85.7	Confident	85.9	Confident	17 Å²	17	71.1 Å²	71.1	9%	0.089	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-114.5	2	173.5	-59.9	179	0	0	0	112.9	F108 P350 L351 N355 R364 L370	F108-L353 HydrophobicContact CD2-CD2 4.01Å; F108-L353 HydrophobicContact CE2-CD2 3.69Å; F108-L353 HydrophobicContact CZ-CD2 4.3Å; P350-L353 HydrophobicContact CG-CB 4.12Å; P350-L353 HydrophobicContact CG-CD1 3.71Å; P350-L353 HydrophobicContact CG-CG 3.86Å; P350-L353 PolarHBondContact O-N 2.86Å; L351-L353 PolarHBondContact O-N 2.98Å; L353-N355 VanDerWaalsContact C-N 3.32Å; L353-N355 PolarHBondContact O-N 3.47Å; L353-R364 VanDerWaalsContact CB-NH1 3.28Å; L353-L370 HydrophobicContact CD1-CD1 3.93Å; L353-L370 HydrophobicContact CD1-CD2 4.34Å
354	Q	80.6	Confident	85.8	Confident	90 Å²	90	71 Å²	71	42%	0.421	38%	0.377	S	S	.	.			trans	-74.9	84.7	-179.1	-73.1	179.1	6.3	0	0	110.3	N349 P350 L351	N349-Q354 PolarHBondContact O-NE2 3.23Å; N349-Q354 VanDerWaalsContact O-NE2 3.1Å; N349-Q354 WeakPolarHBondContact OD1-CG 3.32Å; P350-Q354 PolarHBondContact O-N 3.39Å; L351-Q354 PolarHBondContact O-N 3.47Å
355	N	74.2	Confident	85.7	Confident	98 Å²	98	67.4 Å²	67.4	52%	0.524	36%	0.357	S	S	.	.			trans	-150.9	90.2	168.7	-79.7	-47.6	0	0	0	107.5	I111 L353	I111-N355 HydrophobicContact CG2-CB 3.61Å; L353-N355 VanDerWaalsContact C-N 3.32Å; L353-N355 PolarHBondContact O-N 3.47Å
356	T	69.6	Low	85.8	Confident	100 Å²	100	66.5 Å²	66.5	61%	0.613	35%	0.348	S	S	*	.			trans	-89.2	140.6	178.2	62.2	0	0	0	0	109.2	E362	T356-E362 WeakPolarHBondContact CG2-OE1 3.19Å
357	S	74.7	Confident	85.7	Confident	31 Å²	31	64.5 Å²	64.5	22%	0.217	34%	0.34	C	S	.	.			trans	-115.6	120.6	175.3	-60.4	0	0	0	0	107.6	G359 M360	S357-G359 PolarHBondContact O-N 3.24Å; S357-M360 PolarHBondContact O-N 2.8Å
358	E	76	Confident	85.8	Confident	197 Å²	197	63.9 Å²	63.9	92%	0.921	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	137	-179.4	-69.3	-173.1	170.2	0	0	110.8	M360	E358-M360 PolarHBondContact O-N 2.76Å
359	G	80.7	Confident	86	Confident	50 Å²	50	62.1 Å²	62.1	52%	0.515	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	-3.7	177.2	0	0	0	0	0	116.1	S357	S357-G359 PolarHBondContact O-N 3.24Å
360	M	87.3	Confident	86.3	Confident	44 Å²	44	62.5 Å²	62.5	22%	0.217	33%	0.333	C	S	.	.	S	Bend	trans	-109.8	141.2	-179.9	-70.7	-68.2	112.9	0	0	112.4	W110 E118 M143 S357 E358 E362	W110-M360 HydrophobicContact CB-CB 4.38Å; W110-M360 HydrophobicContact CG-CB 4.24Å; W110-M360 HydrophobicContact CG-CG 4.28Å; E118-M360 HydrophobicContact CG-SD 3.8Å; M143-M360 HydrophobicContact CE-CE 3.59Å; S357-M360 PolarHBondContact O-N 2.8Å; E358-M360 PolarHBondContact O-N 2.76Å; M360-E362 PolarHBondContact O-N 3.4Å
361	P	89.5	Confident	86.6	Confident	16 Å²	16	63 Å²	63	10%	0.104	34%	0.344	C	S	.	.			trans	-68.5	133.2	177.6	27.6	-33.2	0	0	0	111.5	T117 V121 Y363 W366	T117-P361 HydrophobicContact CG2-CG 4.03Å; V121-P361 HydrophobicContact CG2-CG 3.52Å; P361-Y363 HydrophobicContact CB-CD1 4.16Å; P361-Y363 HydrophobicContact CB-CE1 3.93Å; P361-Y363 HydrophobicContact CG-CD1 4.41Å; P361-Y363 HydrophobicContact CG-CD2 4.31Å; P361-Y363 HydrophobicContact CG-CE1 3.9Å; P361-Y363 HydrophobicContact CG-CE2 3.79Å; P361-Y363 PolarHBondContact O-N 3.04Å; P361-Y363 VanDerWaalsContact O-N 3.16Å; P361-W366 HydrophobicContact CB-CH2 4.17Å; P361-W366 HydrophobicContact CB-CZ2 3.7Å
362	E	88.8	Confident	86.8	Confident	35 Å²	35	56.5 Å²	56.5	16%	0.164	31%	0.31	C	S	.	.			trans	-83.4	82.5	166.4	-74.7	-170.8	-131.7	0	0	110.1	T356 M360 R364 N365 W366	T356-E362 WeakPolarHBondContact CG2-OE1 3.19Å; M360-E362 PolarHBondContact O-N 3.4Å; E362-R364 HydrophobicContact CB-CG 4.34Å; E362-R364 PolarHBondContact O-N 3.07Å; E362-R364 IonicContact OE2-CZ 3.17Å; E362-R364 VanDerWaalsContact OE2-CZ 3.22Å; E362-R364 IonicContact OE2-NE 2.68Å; E362-R364 PolarHBondContact OE2-NE 2.86Å; E362-R364 IonicContact OE2-NH2 2.81Å; E362-R364 PolarHBondContact OE2-NH2 2.77Å; E362-N365 PolarHBondContact O-N 3.49Å; E362-N365 PolarHBondContact OE2-ND2 3.14Å; E362-W366 VanDerWaalsContact O-CD1 3.32Å
363	Y	93.3	Very high	87.3	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.008	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-60.1	-19.4	-174.3	-75.6	-49.2	0	0	0	115.2	T117 E120 V121 G152 V153 P361 N365 W366	T117-Y363 HydrophobicContact CG2-CD2 3.93Å; T117-Y363 HydrophobicContact CG2-CE2 3.9Å; E120-Y363 HydrophobicContact CB-CE2 3.93Å; E120-Y363 HydrophobicContact CG-CE2 3.98Å; V121-Y363 HydrophobicContact CG2-CE2 4.39Å; V121-Y363 WeakPolarHBondContact CG2-OH 3.49Å; G152-Y363 WeakPolarHBondContact O-CE1 3.42Å; G152-Y363 PolarHBondContact O-OH 3.34Å; V153-Y363 HydrophobicContact CB-CD1 3.99Å; V153-Y363 HydrophobicContact CB-CE1 3.76Å; V153-Y363 HydrophobicContact CG2-CD1 3.61Å; V153-Y363 HydrophobicContact CG2-CE1 3.84Å; V153-Y363 HydrophobicContact CG2-CG 4.43Å; P361-Y363 HydrophobicContact CB-CD1 4.16Å; P361-Y363 HydrophobicContact CB-CE1 3.93Å; P361-Y363 HydrophobicContact CG-CD1 4.41Å; P361-Y363 HydrophobicContact CG-CD2 4.31Å; P361-Y363 HydrophobicContact CG-CE1 3.9Å; P361-Y363 HydrophobicContact CG-CE2 3.79Å; P361-Y363 PolarHBondContact O-N 3.04Å; P361-Y363 VanDerWaalsContact O-N 3.16Å; Y363-N365 PolarHBondContact O-N 2.71Å; Y363-W366 HydrophobicContact CD1-CB 4.19Å; Y363-W366 HydrophobicContact CD1-CD2 4.14Å; Y363-W366 HydrophobicContact CD1-CE3 4.24Å; Y363-W366 HydrophobicContact CD1-CG 4.17Å; Y363-W366 HydrophobicContact CE1-CD2 4.33Å; Y363-W366 HydrophobicContact CE1-CE3 4.04Å; Y363-W366 HydrophobicContact CE1-CZ3 4.3Å; Y363-W366 PolarHBondContact O-N 3.23Å
364	R	91.8	Very high	87.8	Confident	11 Å²	11	50.4 Å²	50.4	4%	0.042	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-54.9	-29.5	167.1	58.8	-178	-169.5	128.1	-3.6	113.9	F108 V348 N349 L353 E362 L370	F108-R364 HydrophobicContact CB-CB 4.24Å; F108-R364 WeakPolarHBondContact O-CB 3.3Å; F108-R364 WeakPolarHBondContact O-CG 3.46Å; F108-R364 PolarHBondContact O-N 3.19Å; F108-R364 VanDerWaalsContact O-N 3.16Å; V348-R364 PolarHBondContact O-NH1 2.87Å; N349-R364 PolarHBondContact OD1-NH2 2.63Å; L353-R364 VanDerWaalsContact CB-NH1 3.28Å; E362-R364 HydrophobicContact CB-CG 4.34Å; E362-R364 PolarHBondContact O-N 3.07Å; E362-R364 IonicContact OE2-CZ 3.17Å; E362-R364 VanDerWaalsContact OE2-CZ 3.22Å; E362-R364 IonicContact OE2-NE 2.68Å; E362-R364 PolarHBondContact OE2-NE 2.86Å; E362-R364 IonicContact OE2-NH2 2.81Å; E362-R364 PolarHBondContact OE2-NH2 2.77Å; R364-L370 HydrophobicContact CB-CD1 3.75Å
365	N	93.7	Very high	88.6	Confident	9 Å²	9	47.2 Å²	47.2	5%	0.048	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-92.4	-4.8	-179.9	-55.7	-36.6	0	0	0	111.6	I342 S343 E362 Y363	I342-N365 CarbonylContact C-O 3.5Å; S343-N365 VanDerWaalsContact CA-O 3.26Å; S343-N365 WeakPolarHBondContact CA-O 3.38Å; E362-N365 PolarHBondContact O-N 3.49Å; E362-N365 PolarHBondContact OE2-ND2 3.14Å; Y363-N365 PolarHBondContact O-N 2.71Å
366	W	95.2	Very high	89.8	Confident	8 Å²	8	42.5 Å²	42.5	3%	0.03	24%	0.244	C	C	.	.	S	Bend	trans	-102.4	4.5	-176.4	-68.2	41.7	0	0	0	112.4	V153 L336 H339 I342 P361 E362 Y363	V153-W366 HydrophobicContact CB-CB 4.44Å; V153-W366 HydrophobicContact CB-CE3 3.89Å; V153-W366 HydrophobicContact CG1-CE3 4.13Å; V153-W366 HydrophobicContact CG2-CB 4.2Å; L336-W366 HydrophobicContact CD1-CE3 4.37Å; L336-W366 HydrophobicContact CD1-CZ3 4.49Å; H339-W366 HydrophobicContact CB-CD2 4.06Å; H339-W366 HydrophobicContact CB-CE3 4.07Å; H339-W366 HydrophobicContact CB-CH2 3.32Å; H339-W366 HydrophobicContact CB-CZ2 3.25Å; H339-W366 HydrophobicContact CB-CZ3 3.73Å; H339-W366 AromaticContact CD2-CH2 3.83Å; H339-W366 AromaticContact CD2-CZ2 3.48Å; H339-W366 VanDerWaalsContact CD2-CZ2 3.48Å; H339-W366 WeakPolarHBondContact CD2-CZ2 3.29Å; H339-W366 AromaticContact CG-CE2 3.69Å; H339-W366 AromaticContact CG-CH2 3.62Å; H339-W366 AromaticContact CG-CZ2 3.14Å; H339-W366 AromaticContact ND1-CE2 3.79Å; H339-W366 AromaticContact ND1-CZ2 3.57Å; H339-W366 AromaticContact ND1-NE1 3.8Å; I342-W366 HydrophobicContact CD1-CB 3.8Å; I342-W366 HydrophobicContact CD1-CD2 4.27Å; I342-W366 HydrophobicContact CD1-CE3 4.29Å; I342-W366 HydrophobicContact CD1-CG 4.07Å; I342-W366 HydrophobicContact CG1-CB 4.45Å; I342-W366 HydrophobicContact CG1-CG 4.42Å; P361-W366 HydrophobicContact CB-CH2 4.17Å; P361-W366 HydrophobicContact CB-CZ2 3.7Å; E362-W366 VanDerWaalsContact O-CD1 3.32Å; Y363-W366 HydrophobicContact CD1-CB 4.19Å; Y363-W366 HydrophobicContact CD1-CD2 4.14Å; Y363-W366 HydrophobicContact CD1-CE3 4.24Å; Y363-W366 HydrophobicContact CD1-CG 4.17Å; Y363-W366 HydrophobicContact CE1-CD2 4.33Å; Y363-W366 HydrophobicContact CE1-CE3 4.04Å; Y363-W366 HydrophobicContact CE1-CZ3 4.3Å; Y363-W366 PolarHBondContact O-N 3.23Å
367	S	92.2	Very high	91.1	Very high	5 Å²	5	38.2 Å²	38.2	4%	0.035	22%	0.217	C	C	.	.	S	Bend	trans	-147.1	163.4	178.7	-165.5	0	0	0	0	109.8	E155 S369	E155-S367 WeakPolarHBondContact OE1-CB 3.35Å; E155-S367 PolarHBondContact OE1-OG 3.47Å; E155-S367 PolarHBondContact OE2-OG 3.45Å; S367-S369 VanDerWaalsContact C-N 3.28Å; S367-S369 PolarHBondContact O-N 3.42Å
368	I	92.7	Very high	92.2	Very high	92 Å²	92	36.7 Å²	36.7	47%	0.472	21%	0.206	S	C	.	.	S	Bend	trans	-67.4	-32.9	177.2	-59	-177.4	0	0	0	110.9	L160 L167	L160-I368 HydrophobicContact CD1-CD1 3.65Å; L160-I368 HydrophobicContact CD1-CG1 4.19Å; L167-I368 HydrophobicContact CD1-CD1 3.79Å; L167-I368 HydrophobicContact CD1-CG1 4.36Å
369	S	91.8	Very high	93.3	Very high	66 Å²	66	27.3 Å²	27.3	46%	0.462	16%	0.163	S	C	.	.			trans	-91.2	137.7	-177	-60	0	0	0	0	112.3	S367	S367-S369 VanDerWaalsContact C-N 3.28Å; S367-S369 PolarHBondContact O-N 3.42Å
370	L	93	Very high	94.1	Very high	81 Å²	81	28.3 Å²	28.3	42%	0.424	15%	0.151	S	C	.	.	S	Bend	trans	-68.1	-56.6	171	178.1	65.2	0	0	0	111.2	F108 L353 R364 R372	F108-L370 HydrophobicContact CB-CD1 3.81Å; F108-L370 HydrophobicContact CB-CG 4.17Å; F108-L370 WeakPolarHBondContact CB-O 3.38Å; F108-L370 HydrophobicContact CG-CD1 4.27Å; L353-L370 HydrophobicContact CD1-CD1 3.93Å; L353-L370 HydrophobicContact CD1-CD2 4.34Å; R364-L370 HydrophobicContact CB-CD1 3.75Å; L370-R372 PolarHBondContact O-N 2.79Å
371	G	92.2	Very high	94.7	Very high	44 Å²	44	28.1 Å²	28.1	45%	0.454	15%	0.149	S	C	.	.			trans	-70.8	126.9	-177.2	0	0	0	0	0	112
372	R	94.3	Very high	95.1	Very high	6 Å²	6	27.4 Å²	27.4	2%	0.023	14%	0.144	C	C	.	.			trans	-130.9	132.2	179.2	-63.6	175	61.7	85.3	1.7	110.4	I106 G107 E120 I154 L370	I106-R372 CarbonylContact C-O 3.56Å; I106-R372 WeakPolarHBondContact CA-O 3.48Å; G107-R372 PolarHBondContact N-O 3.27Å; E120-R372 IonicContact OE1-NH2 3.55Å; E120-R372 PolarHBondContact OE1-NH2 3.09Å; E120-R372 IonicContact OE2-NH2 2.79Å; I154-R372 PolarHBondContact O-NH2 3.42Å; L370-R372 PolarHBondContact O-N 2.79Å
373	R	95.2	Very high	95.6	Very high	62 Å²	62	26.6 Å²	26.6	23%	0.234	14%	0.141	C	C	.	.			trans	-83	162.1	174.6	74.1	-167.8	-157.6	96.3	-13	110.9	D97 D330 R375	D97-R373 IonicContact OD1-CZ 3.49Å; D97-R373 IonicContact OD1-NH1 2.7Å; D97-R373 PolarHBondContact OD1-NH1 2.96Å; D97-R373 IonicContact OD1-NH2 3.92Å; D97-R373 PolarHBondContact OD1-NH2 3.29Å; D97-R373 IonicContact OD2-CZ 2.69Å; D97-R373 IonicContact OD2-NH1 2.8Å; D97-R373 IonicContact OD2-NH2 2.76Å; D97-R373 PolarHBondContact OD2-NH2 3.05Å; D330-R373 IonicContact OD1-CZ 3.96Å; D330-R373 IonicContact OD1-NE 3.24Å; D330-R373 PolarHBondContact OD1-NE 3.07Å; D330-R373 IonicContact OD1-NH2 3.36Å; D330-R373 PolarHBondContact OD1-NH2 3.39Å; D330-R373 IonicContact OD2-NE 2.76Å; R373-R375 HydrophobicContact CG-CG 3.42Å; R373-R375 VanDerWaalsContact CG-CG 3.42Å; R373-R375 PolarHBondContact O-N 3.27Å
374	F	97.3	Very high	95.8	Very high	12 Å²	12	34.2 Å²	34.2	5%	0.053	17%	0.169	C	C	.	.			trans	-74.4	57.9	179.6	-159.6	-7.1	0	0	0	113.5	I103 P115 C116 L119 A376 L377	I103-F374 HydrophobicContact CD1-CD2 4.43Å; P115-F374 HydrophobicContact CB-CE2 4.27Å; P115-F374 HydrophobicContact CB-CZ 4.09Å; P115-F374 WeakPolarHBondContact O-CE1 3.45Å; P115-F374 WeakPolarHBondContact O-CZ 3.47Å; C116-F374 VanDerWaalsContact CA-CE1 3.49Å; C116-F374 HydrophobicContact CB-CD1 4.13Å; C116-F374 HydrophobicContact CB-CD2 4.48Å; C116-F374 HydrophobicContact CB-CE1 4.4Å; C116-F374 HydrophobicContact CB-CG 4.18Å; L119-F374 HydrophobicContact CB-CE1 3.96Å; L119-F374 HydrophobicContact CB-CZ 4.18Å; L119-F374 HydrophobicContact CD2-CE1 3.72Å; L119-F374 HydrophobicContact CD2-CZ 3.78Å; L119-F374 HydrophobicContact CG-CE1 4.36Å; F374-A376 VanDerWaalsContact C-N 3.25Å; F374-A376 HydrophobicContact CD1-CB 4.36Å; F374-A376 HydrophobicContact CE1-CB 4.27Å; F374-A376 PolarHBondContact O-N 3.01Å; F374-L377 HydrophobicContact CD1-CB 4.1Å; F374-L377 HydrophobicContact CD2-CD2 4.4Å; F374-L377 HydrophobicContact CE1-CB 4.34Å; F374-L377 HydrophobicContact CG-CB 4.2Å; F374-L377 VanDerWaalsContact O-CB 3.3Å; F374-L377 WeakPolarHBondContact O-CB 3.29Å; F374-L377 PolarHBondContact O-N 2.99Å; F374-L377 VanDerWaalsContact O-N 3.11Å
375	R	97.7	Very high	96.2	Very high	22 Å²	22	39 Å²	39	8%	0.083	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-33	-174.6	-63.9	-173.9	-179	97.5	3.6	113.5	I154 V156 D330 R373 L377 K378	I154-R375 HydrophobicContact CB-CB 4.34Å; I154-R375 HydrophobicContact CD1-CB 4.18Å; I154-R375 HydrophobicContact CG2-CB 3.88Å; I154-R375 HydrophobicContact CG2-CG 4.36Å; V156-R375 VanDerWaalsContact CG2-NH2 3.29Å; D330-R375 IonicContact OD2-CZ 3.67Å; D330-R375 IonicContact OD2-NE 2.73Å; D330-R375 PolarHBondContact OD2-NE 3.43Å; D330-R375 IonicContact OD2-NH2 3.52Å; D330-R375 PolarHBondContact OD2-NH2 3.36Å; D330-R375 VanDerWaalsContact OD2-NH2 3.14Å; R373-R375 HydrophobicContact CG-CG 3.42Å; R373-R375 VanDerWaalsContact CG-CG 3.42Å; R373-R375 PolarHBondContact O-N 3.27Å; R375-L377 PolarHBondContact O-N 2.85Å; R375-L377 VanDerWaalsContact O-N 3.15Å; R375-K378 VanDerWaalsContact O-CG 3.26Å; R375-K378 WeakPolarHBondContact O-CG 3.44Å; R375-K378 PolarHBondContact O-N 2.79Å
376	A	98	Very high	96.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59	-25.2	179.4	0	0	0	0	0	112.7	L119 E120 I154 F374 L379 W380	L119-A376 HydrophobicContact CG-CB 4.37Å; E120-A376 HydrophobicContact CB-CB 3.77Å; E120-A376 HydrophobicContact CG-CB 4.3Å; I154-A376 HydrophobicContact CD1-CB 4.04Å; F374-A376 VanDerWaalsContact C-N 3.25Å; F374-A376 HydrophobicContact CD1-CB 4.36Å; F374-A376 HydrophobicContact CE1-CB 4.27Å; F374-A376 PolarHBondContact O-N 3.01Å; A376-L379 PolarHBondContact O-N 3Å; A376-W380 VanDerWaalsContact O-CB 3.25Å; A376-W380 WeakPolarHBondContact O-CB 3.34Å; A376-W380 PolarHBondContact O-N 3.38Å
377	L	97.9	Very high	96.5	Very high	9 Å²	9	42.7 Å²	42.7	5%	0.047	22%	0.217	C	C	.	.	H	α-helix	trans	-64.1	-47.3	-176.8	-168.1	63.2	0	0	0	112.7	L99 C100 I103 L119 F374 R375 L379 W380 F381	L99-L377 HydrophobicContact CB-CD2 4Å; L99-L377 HydrophobicContact CD2-CD2 3.95Å; L99-L377 HydrophobicContact CG-CD2 3.82Å; C100-L377 HydrophobicContact CB-CD2 4.18Å; I103-L377 HydrophobicContact CD1-CD2 4.23Å; L119-L377 HydrophobicContact CD2-CD1 4.22Å; F374-L377 HydrophobicContact CD1-CB 4.1Å; F374-L377 HydrophobicContact CD2-CD2 4.4Å; F374-L377 HydrophobicContact CE1-CB 4.34Å; F374-L377 HydrophobicContact CG-CB 4.2Å; F374-L377 VanDerWaalsContact O-CB 3.3Å; F374-L377 WeakPolarHBondContact O-CB 3.29Å; F374-L377 PolarHBondContact O-N 2.99Å; F374-L377 VanDerWaalsContact O-N 3.11Å; R375-L377 PolarHBondContact O-N 2.85Å; R375-L377 VanDerWaalsContact O-N 3.15Å; L377-L379 PolarHBondContact O-N 2.66Å; L377-W380 HydrophobicContact CD1-CE3 4.02Å; L377-W380 HydrophobicContact CD1-CZ3 4.43Å; L377-W380 WeakPolarHBondContact O-CB 3.26Å; L377-W380 PolarHBondContact O-N 2.82Å; L377-F381 HydrophobicContact CD1-CD2 4.28Å; L377-F381 HydrophobicContact CD1-CE2 3.83Å; L377-F381 HydrophobicContact CG-CD2 4.34Å; L377-F381 HydrophobicContact CG-CE2 4.08Å; L377-F381 WeakPolarHBondContact O-CD2 3.17Å; L377-F381 PolarHBondContact O-N 2.83Å
378	K	98.2	Very high	96.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-68.4	-34.7	177.2	58.7	166.9	168.7	-175.1	0	113.3	D97 V327 N328 D330 R375 W380 F381 V382	D97-K378 WeakPolarHBondContact OD1-CD 3.17Å; D97-K378 IonicContact OD1-NZ 2.82Å; D97-K378 IonicContact OD2-NZ 3.5Å; D97-K378 PolarHBondContact OD2-NZ 3.46Å; V327-K378 HydrophobicContact CG1-CD 3.56Å; V327-K378 HydrophobicContact CG1-CG 3.92Å; N328-K378 PolarHBondContact ND2-NZ 3.12Å; N328-K378 PolarHBondContact O-NZ 3.26Å; D330-K378 WeakPolarHBondContact O-CE 3.34Å; D330-K378 PolarHBondContact O-NZ 3.11Å; R375-K378 VanDerWaalsContact O-CG 3.26Å; R375-K378 WeakPolarHBondContact O-CG 3.44Å; R375-K378 PolarHBondContact O-N 2.79Å; K378-W380 VanDerWaalsContact C-N 3.35Å; K378-F381 PolarHBondContact O-N 3.22Å; K378-V382 WeakPolarHBondContact O-CG2 3.18Å; K378-V382 PolarHBondContact O-N 3.04Å
379	L	98.5	Very high	97.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.6	-42.6	174.4	179.2	61.2	0	0	0	110.4	I123 L127 I154 A321 V327 L333 A376 L377 V382 L383	I123-L379 HydrophobicContact CG2-CB 4.45Å; I123-L379 HydrophobicContact CG2-CD2 3.54Å; I123-L379 HydrophobicContact CG2-CG 3.68Å; L127-L379 HydrophobicContact CD1-CD1 4.3Å; L127-L379 HydrophobicContact CD1-CD2 3.91Å; L127-L379 HydrophobicContact CD1-CG 4.47Å; I154-L379 HydrophobicContact CD1-CD2 4.16Å; A321-L379 HydrophobicContact CB-CD1 4.33Å; V327-L379 HydrophobicContact CG2-CD1 3.68Å; L333-L379 HydrophobicContact CD2-CD2 3.73Å; A376-L379 PolarHBondContact O-N 3Å; L377-L379 PolarHBondContact O-N 2.66Å; L379-V382 PolarHBondContact O-N 3.14Å; L379-L383 HydrophobicContact CD1-CD1 4.25Å; L379-L383 HydrophobicContact CD1-CG 4.31Å; L379-L383 HydrophobicContact CG-CD1 4.14Å; L379-L383 WeakPolarHBondContact O-CG 3.27Å; L379-L383 PolarHBondContact O-N 2.94Å
380	W	98.6	Very high	97.4	Very high	70 Å²	70	49.2 Å²	49.2	27%	0.265	24%	0.242	S	C	.	.	H	α-helix	trans	-60.3	-45.2	174.9	-175	52.6	0	0	0	112.4	L119 I123 A376 L377 K378 V382 L383 R384	L119-W380 HydrophobicContact CD1-CD2 4.18Å; L119-W380 HydrophobicContact CD1-CG 4.05Å; L119-W380 HydrophobicContact CD2-CB 4.18Å; L119-W380 HydrophobicContact CD2-CD2 4.14Å; L119-W380 HydrophobicContact CD2-CE3 4.23Å; L119-W380 HydrophobicContact CD2-CG 4.19Å; I123-W380 HydrophobicContact CD1-CB 4.31Å; I123-W380 HydrophobicContact CD1-CG 4.12Å; I123-W380 HydrophobicContact CG1-CB 4.19Å; I123-W380 HydrophobicContact CG1-CG 4.39Å; A376-W380 VanDerWaalsContact O-CB 3.25Å; A376-W380 WeakPolarHBondContact O-CB 3.34Å; A376-W380 PolarHBondContact O-N 3.38Å; L377-W380 HydrophobicContact CD1-CE3 4.02Å; L377-W380 HydrophobicContact CD1-CZ3 4.43Å; L377-W380 WeakPolarHBondContact O-CB 3.26Å; L377-W380 PolarHBondContact O-N 2.82Å; K378-W380 VanDerWaalsContact C-N 3.35Å; W380-V382 PolarHBondContact O-N 2.89Å; W380-L383 PolarHBondContact O-N 3.49Å; W380-R384 WeakPolarHBondContact O-CB 3.45Å; W380-R384 WeakPolarHBondContact O-CG 3.38Å; W380-R384 PolarHBondContact O-N 3.32Å
381	F	98.7	Very high	97.6	Very high	41 Å²	41	45.5 Å²	45.5	18%	0.18	22%	0.222	C	C	.	.	H	α-helix	trans	-57.9	-48.1	175.6	-89.1	-130.2	0	0	0	111.2	A92 L95 L99 L377 K378 R384 L385	A92-F381 WeakPolarHBondContact O-CB 3.35Å; L95-F381 HydrophobicContact CB-CD1 4.03Å; L95-F381 HydrophobicContact CB-CE1 4.08Å; L99-F381 HydrophobicContact CD2-CE2 4.27Å; L99-F381 HydrophobicContact CD2-CZ 3.83Å; L377-F381 HydrophobicContact CD1-CD2 4.28Å; L377-F381 HydrophobicContact CD1-CE2 3.83Å; L377-F381 HydrophobicContact CG-CD2 4.34Å; L377-F381 HydrophobicContact CG-CE2 4.08Å; L377-F381 WeakPolarHBondContact O-CD2 3.17Å; L377-F381 PolarHBondContact O-N 2.83Å; K378-F381 PolarHBondContact O-N 3.22Å; F381-R384 PolarHBondContact O-N 2.86Å; F381-L385 HydrophobicContact CB-CD1 4.45Å; F381-L385 HydrophobicContact CD1-CD1 4.25Å; F381-L385 VanDerWaalsContact O-CB 3.23Å; F381-L385 WeakPolarHBondContact O-CB 3.4Å; F381-L385 WeakPolarHBondContact O-CG 3.38Å; F381-L385 PolarHBondContact O-N 3.16Å
382	V	98.7	Very high	97.9	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.006	21%	0.212	C	C	.	.	H	α-helix	trans	-60.6	-51	178.4	169.2	0	0	0	0	111.3	S90 A92 L325 L326 V327 K378 L379 W380 R384 L385 Y386 I391	S90-V382 WeakPolarHBondContact OG-CG2 3.47Å; A92-V382 HydrophobicContact CB-CG2 4.04Å; L325-V382 WeakPolarHBondContact O-CG1 3.45Å; L326-V382 HydrophobicContact CB-CG1 3.86Å; V327-V382 HydrophobicContact CG2-CB 4.24Å; V327-V382 HydrophobicContact CG2-CG1 4.35Å; V327-V382 HydrophobicContact CG2-CG2 4.08Å; K378-V382 WeakPolarHBondContact O-CG2 3.18Å; K378-V382 PolarHBondContact O-N 3.04Å; L379-V382 PolarHBondContact O-N 3.14Å; W380-V382 PolarHBondContact O-N 2.89Å; V382-R384 VanDerWaalsContact C-N 3.28Å; V382-R384 PolarHBondContact O-N 2.98Å; V382-L385 PolarHBondContact O-N 3.38Å; V382-Y386 HydrophobicContact CG1-CD2 4.05Å; V382-Y386 WeakPolarHBondContact O-CB 3.29Å; V382-Y386 WeakPolarHBondContact O-CD2 3.43Å; V382-Y386 PolarHBondContact O-N 3.46Å; V382-I391 HydrophobicContact CG1-CD1 4.46Å
383	L	98.6	Very high	98.1	Very high	18 Å²	18	51.5 Å²	51.5	9%	0.094	24%	0.236	C	C	.	.	H	α-helix	trans	-61.1	-38.1	-178.2	-69.5	173.7	0	0	0	112.1	I123 L127 L379 W380 G387 L388 I391	I123-L383 HydrophobicContact CG2-CD1 3.64Å; L127-L383 HydrophobicContact CD1-CD1 4.41Å; L127-L383 HydrophobicContact CD2-CD1 4.33Å; L127-L383 HydrophobicContact CD2-CD2 4.16Å; L127-L383 HydrophobicContact CG-CD1 4.27Å; L379-L383 HydrophobicContact CD1-CD1 4.25Å; L379-L383 HydrophobicContact CD1-CG 4.31Å; L379-L383 HydrophobicContact CG-CD1 4.14Å; L379-L383 WeakPolarHBondContact O-CG 3.27Å; L379-L383 PolarHBondContact O-N 2.94Å; W380-L383 PolarHBondContact O-N 3.49Å; L383-G387 VanDerWaalsContact O-CA 3.24Å; L383-G387 WeakPolarHBondContact O-CA 3.11Å; L383-G387 PolarHBondContact O-N 3.31Å; L383-L388 HydrophobicContact CD2-CD2 4.22Å; L383-I391 HydrophobicContact CD2-CD1 3.9Å
384	R	98.6	Very high	98.2	Very high	161 Å²	161	51.1 Å²	51.1	61%	0.608	24%	0.238	S	C	*	.	H	α-helix	trans	-79.2	-40.4	-179.8	-70.4	-164.7	68.5	-170.5	5.3	114.1	W126 W380 F381 V382	W126-R384 HydrophobicContact CZ3-CG 4.43Å; W380-R384 WeakPolarHBondContact O-CB 3.45Å; W380-R384 WeakPolarHBondContact O-CG 3.38Å; W380-R384 PolarHBondContact O-N 3.32Å; F381-R384 PolarHBondContact O-N 2.86Å; V382-R384 VanDerWaalsContact C-N 3.28Å; V382-R384 PolarHBondContact O-N 2.98Å
385	L	98.4	Very high	98.2	Very high	112 Å²	112	50.7 Å²	50.7	59%	0.586	24%	0.236	S	C	*	.	H	α-helix	trans	-79.9	-32.4	-176.1	-69.7	171	0	0	0	112.6	A92 F381 V382	A92-L385 HydrophobicContact CB-CB 4.05Å; A92-L385 HydrophobicContact CB-CD1 3.59Å; A92-L385 HydrophobicContact CB-CG 4.43Å; F381-L385 HydrophobicContact CB-CD1 4.45Å; F381-L385 HydrophobicContact CD1-CD1 4.25Å; F381-L385 VanDerWaalsContact O-CB 3.23Å; F381-L385 WeakPolarHBondContact O-CB 3.4Å; F381-L385 WeakPolarHBondContact O-CG 3.38Å; F381-L385 PolarHBondContact O-N 3.16Å; V382-L385 PolarHBondContact O-N 3.38Å
386	Y	98.3	Very high	98.1	Very high	70 Å²	70	53.8 Å²	53.8	28%	0.275	25%	0.248	S	C	.	.	H	α-helix	trans	-90.1	-41.1	174.9	-73.7	-86.7	0	0	0	112.4	S90 A92 L326 V382 N390	S90-Y386 VanDerWaalsContact CB-OH 3.27Å; S90-Y386 WeakPolarHBondContact CB-OH 3.42Å; A92-Y386 HydrophobicContact CB-CD2 4.13Å; A92-Y386 HydrophobicContact CB-CE2 3.68Å; L326-Y386 HydrophobicContact CD1-CD1 3.81Å; L326-Y386 HydrophobicContact CD1-CD2 4.06Å; L326-Y386 HydrophobicContact CD1-CE1 3.97Å; L326-Y386 HydrophobicContact CD1-CE2 4.2Å; L326-Y386 HydrophobicContact CD1-CG 3.86Å; V382-Y386 HydrophobicContact CG1-CD2 4.05Å; V382-Y386 WeakPolarHBondContact O-CB 3.29Å; V382-Y386 WeakPolarHBondContact O-CD2 3.43Å; V382-Y386 PolarHBondContact O-N 3.46Å; Y386-N390 WeakPolarHBondContact O-CB 3.2Å; Y386-N390 PolarHBondContact O-ND2 3.42Å
387	G	98.4	Very high	98.1	Very high	25 Å²	25	56.2 Å²	56.2	26%	0.258	26%	0.261	S	S	.	.	H	α-helix	trans	71.6	153.7	-168.7	0	0	0	0	0	112.9	L383 Q389 N390 I391	L383-G387 VanDerWaalsContact O-CA 3.24Å; L383-G387 WeakPolarHBondContact O-CA 3.11Å; L383-G387 PolarHBondContact O-N 3.31Å; G387-Q389 PolarHBondContact O-N 3.05Å; G387-N390 PolarHBondContact O-N 2.86Å; G387-I391 WeakPolarHBondContact O-CG1 3.48Å; G387-I391 PolarHBondContact O-N 3.43Å
388	L	98.3	Very high	98.1	Very high	57 Å²	57	56.4 Å²	56.4	30%	0.298	26%	0.261	S	S	.	.	H	α-helix	trans	-62.1	-30.7	-177.2	-69.4	178.4	0	0	0	113.3	A130 L300 L383 I391 R392	A130-L388 HydrophobicContact CB-CD1 3.73Å; A130-L388 HydrophobicContact CB-CD2 4.08Å; L300-L388 HydrophobicContact CD2-CD2 4.25Å; L383-L388 HydrophobicContact CD2-CD2 4.22Å; L388-I391 PolarHBondContact O-N 2.94Å; L388-R392 WeakPolarHBondContact O-CB 3.37Å; L388-R392 WeakPolarHBondContact O-CD 3.34Å; L388-R392 WeakPolarHBondContact O-CG 3.23Å; L388-R392 PolarHBondContact O-N 2.83Å
389	Q	98.5	Very high	98	Very high	159 Å²	159	56.8 Å²	56.8	74%	0.743	26%	0.263	S	S	*	.	H	α-helix	trans	-62.3	-47.3	179	-176.8	175.3	-3.6	0	0	111.7	G387 R392 H393	G387-Q389 PolarHBondContact O-N 3.05Å; Q389-R392 PolarHBondContact O-N 3.49Å; Q389-H393 PolarHBondContact O-N 3.15Å
390	N	98.2	Very high	98	Very high	84 Å²	84	61 Å²	61	45%	0.449	29%	0.286	S	S	.	.	H	α-helix	trans	-71.4	-37.6	179.2	-67.6	-29.8	0	0	0	111.6	Y386 G387 R392 H393 L394	Y386-N390 WeakPolarHBondContact O-CB 3.2Å; Y386-N390 PolarHBondContact O-ND2 3.42Å; G387-N390 PolarHBondContact O-N 2.86Å; N390-R392 VanDerWaalsContact C-N 3.33Å; N390-R392 PolarHBondContact O-N 3.37Å; N390-H393 WeakPolarHBondContact O-CB 3.25Å; N390-H393 PolarHBondContact O-N 3.48Å; N390-L394 WeakPolarHBondContact O-CG 3.2Å; N390-L394 PolarHBondContact O-N 3.39Å
391	I	98.1	Very high	97.9	Very high	3 Å²	3	57.8 Å²	57.8	2%	0.015	27%	0.274	C	S	.	.	H	α-helix	trans	-59.1	-46.3	174.3	-65.3	169	0	0	0	110.4	L300 L325 L326 V382 L383 G387 L388 H393 L394 L395	L300-I391 HydrophobicContact CD1-CG2 3.66Å; L325-I391 HydrophobicContact CD2-CG2 4.24Å; L326-I391 HydrophobicContact CD1-CG1 4.17Å; V382-I391 HydrophobicContact CG1-CD1 4.46Å; L383-I391 HydrophobicContact CD2-CD1 3.9Å; G387-I391 WeakPolarHBondContact O-CG1 3.48Å; G387-I391 PolarHBondContact O-N 3.43Å; L388-I391 PolarHBondContact O-N 2.94Å; I391-H393 VanDerWaalsContact C-N 3.35Å; I391-H393 PolarHBondContact O-N 3.16Å; I391-L394 PolarHBondContact O-N 3.32Å; I391-L395 HydrophobicContact CG2-CD1 4.18Å; I391-L395 WeakPolarHBondContact O-CG 3.35Å; I391-L395 PolarHBondContact O-N 2.86Å
392	R	98.2	Very high	97.9	Very high	62 Å²	62	55.9 Å²	55.9	23%	0.234	27%	0.266	C	S	.	.	H	α-helix	trans	-60.5	-42.2	175	-72.2	165.3	179.7	156.4	1.2	112.2	L300 L388 Q389 N390 L394 L395 R396	L300-R392 HydrophobicContact CB-CG 4.49Å; L300-R392 WeakPolarHBondContact O-CG 3.48Å; L300-R392 PolarHBondContact O-NE 2.98Å; L388-R392 WeakPolarHBondContact O-CB 3.37Å; L388-R392 WeakPolarHBondContact O-CD 3.34Å; L388-R392 WeakPolarHBondContact O-CG 3.23Å; L388-R392 PolarHBondContact O-N 2.83Å; Q389-R392 PolarHBondContact O-N 3.49Å; N390-R392 VanDerWaalsContact C-N 3.33Å; N390-R392 PolarHBondContact O-N 3.37Å; R392-L394 PolarHBondContact O-N 3.22Å; R392-L395 PolarHBondContact O-N 2.95Å; R392-R396 WeakPolarHBondContact O-CG 3.13Å; R392-R396 PolarHBondContact O-N 3.22Å
393	H	97.8	Very high	97.9	Very high	114 Å²	114	60.3 Å²	60.3	53%	0.528	29%	0.285	S	S	.	.	H	α-helix	trans	-60.4	-44.4	176.7	177.5	69.3	0	0	0	112.1	Q389 N390 I391 L395 R396 L397	Q389-H393 PolarHBondContact O-N 3.15Å; N390-H393 WeakPolarHBondContact O-CB 3.25Å; N390-H393 PolarHBondContact O-N 3.48Å; I391-H393 VanDerWaalsContact C-N 3.35Å; I391-H393 PolarHBondContact O-N 3.16Å; H393-L395 PolarHBondContact O-N 3.28Å; H393-R396 PolarHBondContact O-N 2.77Å; H393-L397 PolarHBondContact O-N 3.08Å
394	L	97	Very high	97.9	Very high	54 Å²	54	61.9 Å²	61.9	28%	0.283	29%	0.291	S	S	.	.	H	α-helix	trans	-66.9	-36.3	178.5	-68.9	168	0	0	0	112.7	L326 N390 I391 R392 H398	L326-L394 HydrophobicContact CD1-CD1 3.68Å; L326-L394 HydrophobicContact CD2-CD1 4.22Å; L326-L394 HydrophobicContact CG-CD1 4.46Å; N390-L394 WeakPolarHBondContact O-CG 3.2Å; N390-L394 PolarHBondContact O-N 3.39Å; I391-L394 PolarHBondContact O-N 3.32Å; R392-L394 PolarHBondContact O-N 3.22Å; L394-H398 PolarHBondContact O-N 3.43Å
395	L	97.2	Very high	97.9	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-63.7	-44.7	172.7	-71.5	169.3	0	0	0	111.6	S297 L300 L324 I391 R392 H393 L397 H398 F399	S297-L395 VanDerWaalsContact O-CD1 3.26Å; S297-L395 WeakPolarHBondContact O-CD1 3.39Å; L300-L395 HydrophobicContact CB-CD1 4.07Å; L300-L395 HydrophobicContact CD1-CD1 4.19Å; L324-L395 HydrophobicContact CB-CD2 3.95Å; L324-L395 HydrophobicContact CD1-CD2 4.26Å; I391-L395 HydrophobicContact CG2-CD1 4.18Å; I391-L395 WeakPolarHBondContact O-CG 3.35Å; I391-L395 PolarHBondContact O-N 2.86Å; R392-L395 PolarHBondContact O-N 2.95Å; H393-L395 PolarHBondContact O-N 3.28Å; L395-L397 PolarHBondContact O-N 2.92Å; L395-H398 WeakPolarHBondContact O-CB 3.36Å; L395-H398 PolarHBondContact O-N 3.22Å; L395-F399 HydrophobicContact CB-CE2 4.2Å; L395-F399 HydrophobicContact CB-CZ 3.9Å; L395-F399 HydrophobicContact CD2-CZ 4.49Å; L395-F399 WeakPolarHBondContact O-CD1 3.32Å; L395-F399 VanDerWaalsContact O-CD2 3.29Å; L395-F399 WeakPolarHBondContact O-CD2 3.32Å; L395-F399 WeakPolarHBondContact O-CE1 3.39Å; L395-F399 WeakPolarHBondContact O-CE2 3.29Å; L395-F399 VanDerWaalsContact O-CG 3.27Å; L395-F399 WeakPolarHBondContact O-CG 3.1Å; L395-F399 WeakPolarHBondContact O-CZ 3.47Å; L395-F399 PolarHBondContact O-N 2.8Å
396	R	97.1	Very high	97.9	Very high	87 Å²	87	50.2 Å²	50.2	33%	0.328	24%	0.24	S	C	.	.	H	α-helix	trans	-60.2	-46.1	176.2	-71.7	166.4	-179.2	143.7	0.4	111.9	E303 R392 H393 H398 F399 D400	E303-R396 VanDerWaalsContact CD-NH2 3.33Å; E303-R396 IonicContact OE1-CZ 3.66Å; E303-R396 IonicContact OE1-NE 2.77Å; E303-R396 PolarHBondContact OE1-NE 3.08Å; E303-R396 IonicContact OE1-NH2 3.22Å; E303-R396 PolarHBondContact OE1-NH2 3.11Å; E303-R396 IonicContact OE2-NH2 2.8Å; E303-R396 PolarHBondContact OE2-NH2 3.1Å; R392-R396 WeakPolarHBondContact O-CG 3.13Å; R392-R396 PolarHBondContact O-N 3.22Å; H393-R396 PolarHBondContact O-N 2.77Å; R396-H398 VanDerWaalsContact C-N 3.27Å; R396-H398 PolarHBondContact O-N 2.78Å; R396-F399 WeakPolarHBondContact O-CB 3.41Å; R396-F399 PolarHBondContact O-N 3.47Å; R396-D400 VanDerWaalsContact O-CG 3.32Å; R396-D400 PolarHBondContact O-N 2.71Å
397	L	97.3	Very high	97.9	Very high	52 Å²	52	52.7 Å²	52.7	27%	0.272	25%	0.254	S	S	.	.	H	α-helix	trans	-56.3	-44.2	175.2	177.4	60.9	0	0	0	111.1	H393 L395 F399 D400 L401 M497	H393-L397 PolarHBondContact O-N 3.08Å; L395-L397 PolarHBondContact O-N 2.92Å; L397-F399 PolarHBondContact O-N 3.17Å; L397-D400 PolarHBondContact O-N 3.3Å; L397-D400 VanDerWaalsContact O-N 3.17Å; L397-L401 HydrophobicContact CD1-CD1 4.4Å; L397-L401 HydrophobicContact CD1-CD2 4.28Å; L397-L401 HydrophobicContact CD1-CG 4.07Å; L397-L401 HydrophobicContact CG-CD1 4.09Å; L397-L401 HydrophobicContact CG-CG 4.26Å; L397-L401 WeakPolarHBondContact O-CG 3.2Å; L397-L401 PolarHBondContact O-N 3.48Å; L397-M497 HydrophobicContact CD1-CE 4.32Å
398	H	97.3	Very high	97.9	Very high	12 Å²	12	53 Å²	53	6%	0.056	25%	0.25	C	C	.	.	H	α-helix	trans	-57.4	-34.9	176.4	179.4	76.7	0	0	0	113	Y294 L394 L395 R396 A402 G424 S491	Y294-H398 AromaticContact CZ-NE2 3.88Å; Y294-H398 PolarHBondContact OH-NE2 2.9Å; L394-H398 PolarHBondContact O-N 3.43Å; L395-H398 WeakPolarHBondContact O-CB 3.36Å; L395-H398 PolarHBondContact O-N 3.22Å; R396-H398 VanDerWaalsContact C-N 3.27Å; R396-H398 PolarHBondContact O-N 2.78Å; H398-A402 PolarHBondContact O-N 3.33Å; H398-G424 WeakPolarHBondContact NE2-CA 3.43Å; H398-S491 PolarHBondContact CE1-O 3.33Å; H398-S491 PolarHBondContact CE1-OG 3.1Å; H398-S491 VanDerWaalsContact CE1-OG 3.25Å; H398-S491 PolarHBondContact ND1-O 3.03Å; H398-S491 PolarHBondContact ND1-OG 3.27Å
399	F	96.2	Very high	97.9	Very high	9 Å²	9	50.3 Å²	50.3	4%	0.039	24%	0.235	C	C	.	.	H	α-helix	trans	-75.8	-41.6	175.5	-46.3	-29.9	0	0	0	111.9	F304 L395 R396 L397 L401 A402 K403 F423	F304-F399 HydrophobicContact CD2-CD2 4.16Å; F304-F399 AromaticContact CD2-CE2 3.74Å; F304-F399 HydrophobicContact CD2-CE2 3.74Å; F304-F399 HydrophobicContact CE1-CD2 4.03Å; F304-F399 HydrophobicContact CE1-CE2 4.34Å; F304-F399 AromaticContact CE2-CD2 3.43Å; F304-F399 HydrophobicContact CE2-CD2 3.43Å; F304-F399 VanDerWaalsContact CE2-CD2 3.43Å; F304-F399 AromaticContact CE2-CE2 3.47Å; F304-F399 HydrophobicContact CE2-CE2 3.47Å; F304-F399 VanDerWaalsContact CE2-CE2 3.47Å; F304-F399 HydrophobicContact CG-CE2 4.29Å; F304-F399 AromaticContact CZ-CD2 3.35Å; F304-F399 HydrophobicContact CZ-CD2 3.35Å; F304-F399 AromaticContact CZ-CE2 3.8Å; F304-F399 HydrophobicContact CZ-CE2 3.8Å; F304-F399 HydrophobicContact CZ-CG 4.29Å; L395-F399 HydrophobicContact CB-CE2 4.2Å; L395-F399 HydrophobicContact CB-CZ 3.9Å; L395-F399 HydrophobicContact CD2-CZ 4.49Å; L395-F399 WeakPolarHBondContact O-CD1 3.32Å; L395-F399 VanDerWaalsContact O-CD2 3.29Å; L395-F399 WeakPolarHBondContact O-CD2 3.32Å; L395-F399 WeakPolarHBondContact O-CE1 3.39Å; L395-F399 WeakPolarHBondContact O-CE2 3.29Å; L395-F399 VanDerWaalsContact O-CG 3.27Å; L395-F399 WeakPolarHBondContact O-CG 3.1Å; L395-F399 WeakPolarHBondContact O-CZ 3.47Å; L395-F399 PolarHBondContact O-N 2.8Å; R396-F399 WeakPolarHBondContact O-CB 3.41Å; R396-F399 PolarHBondContact O-N 3.47Å; L397-F399 PolarHBondContact O-N 3.17Å; F399-L401 VanDerWaalsContact C-N 3.28Å; F399-L401 PolarHBondContact O-N 2.88Å; F399-A402 PolarHBondContact O-N 3.01Å; F399-K403 PolarHBondContact O-N 3.2Å; F399-F423 AromaticContact CD1-CD2 3.85Å; F399-F423 HydrophobicContact CD1-CD2 3.85Å; F399-F423 AromaticContact CD1-CE2 3.92Å; F399-F423 HydrophobicContact CD1-CE2 3.92Å; F399-F423 HydrophobicContact CD1-CG 4.3Å; F399-F423 HydrophobicContact CD1-CZ 4.43Å; F399-F423 HydrophobicContact CE1-CD1 4.31Å; F399-F423 AromaticContact CE1-CD2 3.37Å; F399-F423 HydrophobicContact CE1-CD2 3.37Å; F399-F423 HydrophobicContact CE1-CE1 4.01Å; F399-F423 AromaticContact CE1-CE2 2.96Å; F399-F423 HydrophobicContact CE1-CE2 2.96Å; F399-F423 HydrophobicContact CE1-CG 4.04Å; F399-F423 AromaticContact CE1-CZ 3.34Å; F399-F423 HydrophobicContact CE1-CZ 3.34Å; F399-F423 HydrophobicContact CE2-CE2 4.12Å; F399-F423 AromaticContact CZ-CD2 3.75Å; F399-F423 HydrophobicContact CZ-CD2 3.75Å; F399-F423 AromaticContact CZ-CE2 3.09Å; F399-F423 HydrophobicContact CZ-CE2 3.09Å; F399-F423 AromaticContact CZ-CZ 3.71Å; F399-F423 HydrophobicContact CZ-CZ 3.71Å
400	D	97.6	Very high	97.9	Very high	88 Å²	88	47.3 Å²	47.3	47%	0.471	22%	0.224	S	C	.	.	H	α-helix	trans	-61.9	-38.1	177.8	-64.5	-25.8	0	0	0	111.5	R396 L397 K403 K404 M497	R396-D400 VanDerWaalsContact O-CG 3.32Å; R396-D400 PolarHBondContact O-N 2.71Å; L397-D400 PolarHBondContact O-N 3.3Å; L397-D400 VanDerWaalsContact O-N 3.17Å; D400-K403 PolarHBondContact O-N 3.41Å; D400-K404 PolarHBondContact O-N 2.87Å; D400-M497 HydrophobicContact CB-CE 3.75Å
401	L	98.5	Very high	97.9	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-62.3	-43.1	175.1	-68.2	171.1	0	0	0	111.7	L397 F399 K404 F405 T495 T496 M497 I500	L397-L401 HydrophobicContact CD1-CD1 4.4Å; L397-L401 HydrophobicContact CD1-CD2 4.28Å; L397-L401 HydrophobicContact CD1-CG 4.07Å; L397-L401 HydrophobicContact CG-CD1 4.09Å; L397-L401 HydrophobicContact CG-CG 4.26Å; L397-L401 WeakPolarHBondContact O-CG 3.2Å; L397-L401 PolarHBondContact O-N 3.48Å; F399-L401 VanDerWaalsContact C-N 3.28Å; F399-L401 PolarHBondContact O-N 2.88Å; L401-K404 PolarHBondContact O-N 3.48Å; L401-F405 PolarHBondContact O-N 3.03Å; L401-T495 HydrophobicContact CD1-CG2 4.07Å; L401-T495 WeakPolarHBondContact CD1-O 3.22Å; L401-T496 VanDerWaalsContact CD2-C 3.44Å; L401-M497 HydrophobicContact CD2-CE 4.16Å; L401-M497 HydrophobicContact CD2-CG 4.13Å; L401-M497 HydrophobicContact CD2-SD 3.69Å; L401-I500 HydrophobicContact CB-CD1 4.06Å; L401-I500 HydrophobicContact CB-CG1 4.02Å; L401-I500 HydrophobicContact CD2-CD1 4.28Å; L401-I500 HydrophobicContact CD2-CG1 3.52Å; L401-I500 HydrophobicContact CG-CG1 4.29Å
402	A	98.3	Very high	97.9	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.008	24%	0.238	C	C	.	.	H	α-helix	trans	-64	-42.6	175.6	0	0	0	0	0	111.6	H398 F399 K404 F405 E406 V421 V426	H398-A402 PolarHBondContact O-N 3.33Å; F399-A402 PolarHBondContact O-N 3.01Å; A402-K404 PolarHBondContact O-N 2.89Å; A402-F405 PolarHBondContact O-N 3.28Å; A402-E406 WeakPolarHBondContact O-CB 3.42Å; A402-E406 PolarHBondContact O-N 3.19Å; A402-V421 HydrophobicContact CB-CG1 4.21Å; A402-V426 HydrophobicContact CB-CG2 3.97Å; A402-V426 WeakPolarHBondContact O-CG2 3.4Å
403	K	98.1	Very high	97.8	Very high	93 Å²	93	48 Å²	48	40%	0.404	24%	0.243	S	C	.	.	H	α-helix	trans	-64	-38.4	175.8	-72.7	-56.1	-172.3	-177.6	0	113.4	F399 D400 E406 H407 V421	F399-K403 PolarHBondContact O-N 3.2Å; D400-K403 PolarHBondContact O-N 3.41Å; K403-E406 WeakPolarHBondContact CD-OE2 3.3Å; K403-E406 IonicContact NZ-OE2 2.83Å; K403-E406 PolarHBondContact NZ-OE2 2.7Å; K403-H407 WeakPolarHBondContact O-CB 3.48Å; K403-H407 PolarHBondContact O-N 2.81Å; K403-V421 HydrophobicContact CD-CG1 4.37Å; K403-V421 WeakPolarHBondContact CE-O 3.31Å; K403-V421 PolarHBondContact NZ-O 3.3Å
404	K	98.3	Very high	97.8	Very high	52 Å²	52	45.7 Å²	45.7	23%	0.226	23%	0.23	C	C	.	.	H	α-helix	trans	-61.7	-48.2	172.1	178.4	174.8	177.5	179	0	111.4	D400 L401 A402 E406 H407 L408 M497 I500 D501	D400-K404 PolarHBondContact O-N 2.87Å; L401-K404 PolarHBondContact O-N 3.48Å; A402-K404 PolarHBondContact O-N 2.89Å; K404-E406 PolarHBondContact O-N 2.85Å; K404-H407 PolarHBondContact O-N 3.01Å; K404-L408 HydrophobicContact CG-CD1 4.33Å; K404-L408 WeakPolarHBondContact O-CG 3.4Å; K404-L408 PolarHBondContact O-N 3.07Å; K404-M497 HydrophobicContact CB-SD 4.13Å; K404-M497 HydrophobicContact CD-CB 4.38Å; K404-M497 HydrophobicContact CD-CG 4.49Å; K404-M497 HydrophobicContact CD-SD 3.32Å; K404-M497 WeakPolarHBondContact CD-SD 3.49Å; K404-M497 HydrophobicContact CG-SD 4.34Å; K404-M497 PolarHBondContact NZ-O 2.63Å; K404-I500 HydrophobicContact CB-CG2 4.41Å; K404-I500 HydrophobicContact CD-CB 4.36Å; K404-I500 HydrophobicContact CD-CG2 4.17Å; K404-I500 HydrophobicContact CG-CG2 4.04Å; K404-D501 WeakPolarHBondContact CE-OD1 3.2Å; K404-D501 IonicContact NZ-OD1 3.75Å; K404-D501 PolarHBondContact NZ-OD1 2.99Å; K404-D501 IonicContact NZ-OD2 3.19Å; K404-D501 PolarHBondContact NZ-OD2 3.45Å
405	F	98.7	Very high	97.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63	-42.6	-179.8	-172.6	-110.7	0	0	0	112	L401 A402 H407 L408 L409 V426 F428 F489 I500 I507	L401-F405 PolarHBondContact O-N 3.03Å; A402-F405 PolarHBondContact O-N 3.28Å; F405-H407 VanDerWaalsContact C-N 3.33Å; F405-H407 PolarHBondContact O-N 3.17Å; F405-L408 PolarHBondContact O-N 2.9Å; F405-L409 HydrophobicContact CD1-CD1 3.86Å; F405-L409 HydrophobicContact CD1-CG 4.5Å; F405-L409 HydrophobicContact CE1-CD1 3.38Å; F405-L409 HydrophobicContact CE1-CG 4.12Å; F405-L409 HydrophobicContact CE2-CG 4.5Å; F405-L409 HydrophobicContact CZ-CD1 3.79Å; F405-L409 HydrophobicContact CZ-CD2 4.22Å; F405-L409 HydrophobicContact CZ-CG 4.11Å; F405-L409 WeakPolarHBondContact O-CG 3.28Å; F405-L409 PolarHBondContact O-N 2.95Å; F405-L409 VanDerWaalsContact O-N 3.13Å; F405-V426 HydrophobicContact CD1-CB 3.85Å; F405-V426 HydrophobicContact CD1-CG1 3.9Å; F405-V426 HydrophobicContact CD1-CG2 4.02Å; F405-V426 HydrophobicContact CE1-CB 4.35Å; F405-V426 HydrophobicContact CE1-CG1 4.25Å; F405-F428 HydrophobicContact CE1-CD1 4.01Å; F405-F428 AromaticContact CE1-CE1 3.91Å; F405-F428 HydrophobicContact CE1-CE1 3.91Å; F405-F428 HydrophobicContact CZ-CE1 4.06Å; F405-F428 HydrophobicContact CZ-CZ 4.28Å; F405-F489 HydrophobicContact CB-CD1 4.37Å; F405-F489 HydrophobicContact CB-CE1 4.19Å; F405-F489 HydrophobicContact CD1-CB 3.92Å; F405-F489 AromaticContact CD1-CD1 3.51Å; F405-F489 HydrophobicContact CD1-CD1 3.51Å; F405-F489 HydrophobicContact CD1-CD2 4.12Å; F405-F489 HydrophobicContact CD1-CE1 4.04Å; F405-F489 AromaticContact CD1-CG 3.58Å; F405-F489 HydrophobicContact CD1-CG 3.58Å; F405-F489 HydrophobicContact CD2-CD1 4.48Å; F405-F489 HydrophobicContact CD2-CD2 4.41Å; F405-F489 HydrophobicContact CD2-CE1 4.27Å; F405-F489 HydrophobicContact CD2-CE2 4.17Å; F405-F489 HydrophobicContact CD2-CZ 4.1Å; F405-F489 HydrophobicContact CE1-CB 3.46Å; F405-F489 VanDerWaalsContact CE1-CB 3.46Å; F405-F489 AromaticContact CE1-CD1 3.84Å; F405-F489 HydrophobicContact CE1-CD1 3.84Å; F405-F489 AromaticContact CE1-CD2 3.65Å; F405-F489 HydrophobicContact CE1-CD2 3.65Å; F405-F489 HydrophobicContact CE1-CE2 4.34Å; F405-F489 AromaticContact CE1-CG 3.36Å; F405-F489 HydrophobicContact CE1-CG 3.36Å; F405-F489 AromaticContact CE2-CD2 3.97Å; F405-F489 HydrophobicContact CE2-CD2 3.97Å; F405-F489 AromaticContact CE2-CE2 3.93Å; F405-F489 HydrophobicContact CE2-CE2 3.93Å; F405-F489 HydrophobicContact CE2-CG 4.4Å; F405-F489 HydrophobicContact CE2-CZ 4.33Å; F405-F489 AromaticContact CG-CD1 3.87Å; F405-F489 HydrophobicContact CG-CD1 3.87Å; F405-F489 HydrophobicContact CG-CD2 4.48Å; F405-F489 AromaticContact CG-CE1 3.9Å; F405-F489 HydrophobicContact CG-CE1 3.9Å; F405-F489 HydrophobicContact CG-CE2 4.48Å; F405-F489 HydrophobicContact CG-CG 4.19Å; F405-F489 HydrophobicContact CG-CZ 4.21Å; F405-F489 HydrophobicContact CZ-CB 4.19Å; F405-F489 HydrophobicContact CZ-CD1 4.46Å; F405-F489 AromaticContact CZ-CD2 3.57Å; F405-F489 HydrophobicContact CZ-CD2 3.57Å; F405-F489 HydrophobicContact CZ-CE2 4.02Å; F405-F489 AromaticContact CZ-CG 3.82Å; F405-F489 HydrophobicContact CZ-CG 3.82Å; F405-I500 HydrophobicContact CB-CG2 3.74Å; F405-I500 HydrophobicContact CD2-CG2 4Å; F405-I500 HydrophobicContact CG-CG2 4.35Å; F405-I507 HydrophobicContact CE2-CD1 3.98Å; F405-I507 HydrophobicContact CZ-CD1 3.67Å
406	E	98.5	Very high	97.8	Very high	27 Å²	27	47 Å²	47	13%	0.126	24%	0.235	C	C	.	.	H	α-helix	trans	-53.3	-49.1	171.6	177.7	-179.6	-147.6	0	0	111.3	A402 K403 K404 L408 L409 I410 I417 V421 V426	A402-E406 WeakPolarHBondContact O-CB 3.42Å; A402-E406 PolarHBondContact O-N 3.19Å; K403-E406 WeakPolarHBondContact CD-OE2 3.3Å; K403-E406 IonicContact NZ-OE2 2.83Å; K403-E406 PolarHBondContact NZ-OE2 2.7Å; K404-E406 PolarHBondContact O-N 2.85Å; E406-L408 PolarHBondContact O-N 3.49Å; E406-L409 PolarHBondContact O-N 2.79Å; E406-I410 HydrophobicContact CG-CD1 3.82Å; E406-I410 WeakPolarHBondContact O-CG1 3.22Å; E406-I410 PolarHBondContact O-N 2.98Å; E406-I417 HydrophobicContact CG-CG1 4.33Å; E406-V421 HydrophobicContact CB-CG2 4.41Å; E406-V421 HydrophobicContact CG-CG2 4.18Å; E406-V421 WeakPolarHBondContact OE1-CG2 3.42Å; E406-V426 HydrophobicContact CB-CG2 4.43Å
407	H	98.4	Very high	97.9	Very high	122 Å²	122	43.5 Å²	43.5	57%	0.565	22%	0.222	S	C	*	.	H	α-helix	trans	-62.4	-41	-179.9	-179.3	68.7	0	0	0	113.2	K403 K404 F405 I410 T411	K403-H407 WeakPolarHBondContact O-CB 3.48Å; K403-H407 PolarHBondContact O-N 2.81Å; K404-H407 PolarHBondContact O-N 3.01Å; F405-H407 VanDerWaalsContact C-N 3.33Å; F405-H407 PolarHBondContact O-N 3.17Å; H407-I410 PolarHBondContact O-N 2.75Å; H407-T411 WeakPolarHBondContact O-CB 3.12Å; H407-T411 PolarHBondContact O-N 3.35Å; H407-T411 PolarHBondContact O-OG1 2.68Å
408	L	98.7	Very high	97.8	Very high	32 Å²	32	41.7 Å²	41.7	17%	0.168	21%	0.213	C	C	.	.	H	α-helix	trans	-61	-46.2	177	-71	170	0	0	0	111.4	K404 F405 E406 T411 D412 I500 Y504	K404-L408 HydrophobicContact CG-CD1 4.33Å; K404-L408 WeakPolarHBondContact O-CG 3.4Å; K404-L408 PolarHBondContact O-N 3.07Å; F405-L408 PolarHBondContact O-N 2.9Å; E406-L408 PolarHBondContact O-N 3.49Å; L408-T411 PolarHBondContact O-N 2.74Å; L408-D412 PolarHBondContact O-N 2.9Å; L408-I500 HydrophobicContact CD1-CG2 4.08Å; L408-Y504 HydrophobicContact CB-CD1 4.25Å; L408-Y504 HydrophobicContact CB-CD2 3.74Å; L408-Y504 HydrophobicContact CB-CE1 4.45Å; L408-Y504 HydrophobicContact CB-CE2 3.95Å; L408-Y504 HydrophobicContact CB-CG 3.88Å; L408-Y504 HydrophobicContact CD1-CD1 4.1Å; L408-Y504 HydrophobicContact CD1-CG 3.89Å; L408-Y504 HydrophobicContact CD2-CD1 4.23Å; L408-Y504 HydrophobicContact CD2-CE1 4.32Å; L408-Y504 HydrophobicContact CG-CD1 4.44Å; L408-Y504 HydrophobicContact CG-CG 4.36Å
409	L	98.5	Very high	97.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.8	-40	179.3	-70.2	175.7	0	0	0	113	F405 E406 T411 D412 F415 I417 V426 F428 Y504	F405-L409 HydrophobicContact CD1-CD1 3.86Å; F405-L409 HydrophobicContact CD1-CG 4.5Å; F405-L409 HydrophobicContact CE1-CD1 3.38Å; F405-L409 HydrophobicContact CE1-CG 4.12Å; F405-L409 HydrophobicContact CE2-CG 4.5Å; F405-L409 HydrophobicContact CZ-CD1 3.79Å; F405-L409 HydrophobicContact CZ-CD2 4.22Å; F405-L409 HydrophobicContact CZ-CG 4.11Å; F405-L409 WeakPolarHBondContact O-CG 3.28Å; F405-L409 PolarHBondContact O-N 2.95Å; F405-L409 VanDerWaalsContact O-N 3.13Å; E406-L409 PolarHBondContact O-N 2.79Å; L409-T411 VanDerWaalsContact C-N 3.31Å; L409-D412 PolarHBondContact O-N 2.73Å; L409-F415 HydrophobicContact CB-CB 4.31Å; L409-F415 HydrophobicContact CD2-CB 4.11Å; L409-F415 HydrophobicContact CD2-CD1 4.22Å; L409-F415 HydrophobicContact CD2-CD2 3.6Å; L409-F415 HydrophobicContact CD2-CE2 4.01Å; L409-F415 HydrophobicContact CD2-CG 3.71Å; L409-F415 HydrophobicContact CD2-CZ 4.46Å; L409-I417 HydrophobicContact CB-CD1 3.86Å; L409-I417 HydrophobicContact CD1-CD1 3.58Å; L409-I417 HydrophobicContact CG-CD1 4.41Å; L409-V426 HydrophobicContact CD1-CG1 4.09Å; L409-F428 HydrophobicContact CD1-CB 3.6Å; L409-F428 HydrophobicContact CD1-CD1 3.91Å; L409-F428 HydrophobicContact CD1-CD2 3.87Å; L409-F428 HydrophobicContact CD1-CG 3.51Å; L409-F428 HydrophobicContact CD2-CD2 4Å; L409-F428 HydrophobicContact CD2-CE2 4.26Å; L409-F428 HydrophobicContact CD2-CG 4.49Å; L409-Y504 HydrophobicContact CD2-CD2 4.26Å; L409-Y504 HydrophobicContact CD2-CE2 4.43Å
410	I	97.7	Very high	97.5	Very high	97 Å²	97	43.1 Å²	43.1	50%	0.497	22%	0.221	S	C	.	.	H	α-helix	trans	-62.7	-42.4	176.3	-70.6	169.9	0	0	0	110.5	E406 H407 G413 I417	E406-I410 HydrophobicContact CG-CD1 3.82Å; E406-I410 WeakPolarHBondContact O-CG1 3.22Å; E406-I410 PolarHBondContact O-N 2.98Å; H407-I410 PolarHBondContact O-N 2.75Å; I410-G413 PolarHBondContact O-N 3.07Å; I410-I417 HydrophobicContact CD1-CG1 4.47Å; I410-I417 HydrophobicContact CG1-CG1 4.04Å
411	T	98.2	Very high	97.4	Very high	95 Å²	95	39 Å²	39	58%	0.583	20%	0.199	S	C	*	.	H	α-helix	trans	-68.1	-36.2	-178.1	-56	0	0	0	0	112.3	H407 L408 L409 G413	H407-T411 WeakPolarHBondContact O-CB 3.12Å; H407-T411 PolarHBondContact O-N 3.35Å; H407-T411 PolarHBondContact O-OG1 2.68Å; L408-T411 PolarHBondContact O-N 2.74Å; L409-T411 VanDerWaalsContact C-N 3.31Å; T411-G413 VanDerWaalsContact C-N 3.27Å; T411-G413 PolarHBondContact O-N 2.88Å
412	D	97.9	Very high	96.8	Very high	34 Å²	34	41.4 Å²	41.4	18%	0.182	21%	0.211	C	C	.	.	H	α-helix	trans	-60.4	-35.2	178.1	-173.2	-64.5	0	0	0	112.6	L408 L409 R414 F415 Y504	L408-D412 PolarHBondContact O-N 2.9Å; L409-D412 PolarHBondContact O-N 2.73Å; D412-R414 PolarHBondContact O-N 3.14Å; D412-R414 VanDerWaalsContact O-N 3.14Å; D412-R414 VanDerWaalsContact OD1-CB 3.27Å; D412-R414 WeakPolarHBondContact OD1-CB 3.3Å; D412-R414 VanDerWaalsContact OD1-CG 3.31Å; D412-R414 WeakPolarHBondContact OD1-CG 3.14Å; D412-R414 IonicContact OD1-CZ 2.86Å; D412-R414 PolarHBondContact OD1-N 3.16Å; D412-R414 IonicContact OD1-NE 2.71Å; D412-R414 PolarHBondContact OD1-NE 2.74Å; D412-R414 IonicContact OD1-NH2 2.8Å; D412-R414 PolarHBondContact OD1-NH2 2.96Å; D412-R414 IonicContact OD2-CZ 3.27Å; D412-R414 IonicContact OD2-NE 3.3Å; D412-R414 IonicContact OD2-NH2 3.03Å; D412-R414 PolarHBondContact OD2-NH2 3.37Å; D412-F415 HydrophobicContact CB-CD2 4Å; D412-F415 HydrophobicContact CB-CE2 4.31Å; D412-Y504 HydrophobicContact CB-CE2 4.13Å; D412-Y504 WeakPolarHBondContact CB-OH 3.25Å; D412-Y504 PolarHBondContact OD2-OH 3.32Å
413	G	96	Very high	96.4	Very high	33 Å²	33	41.5 Å²	41.5	34%	0.34	21%	0.211	S	C	.	.	S	Bend	trans	79.4	-18.7	174.6	0	0	0	0	0	115.4	I410 T411 K431	I410-G413 PolarHBondContact O-N 3.07Å; T411-G413 VanDerWaalsContact C-N 3.27Å; T411-G413 PolarHBondContact O-N 2.88Å; G413-K431 WeakPolarHBondContact O-CD 3.33Å; G413-K431 VanDerWaalsContact O-CE 3.3Å; G413-K431 WeakPolarHBondContact O-CE 3.11Å; G413-K431 PolarHBondContact O-NZ 3.44Å
414	R	97.8	Very high	96.3	Very high	67 Å²	67	37.1 Å²	37.1	25%	0.253	19%	0.192	S	C	.	.	S	Bend	trans	-77.4	-22.2	174.3	-60.4	176.3	-68.4	169.7	0.8	113.3	D412 K431 A508 T512 L515	D412-R414 PolarHBondContact O-N 3.14Å; D412-R414 VanDerWaalsContact O-N 3.14Å; D412-R414 VanDerWaalsContact OD1-CB 3.27Å; D412-R414 WeakPolarHBondContact OD1-CB 3.3Å; D412-R414 VanDerWaalsContact OD1-CG 3.31Å; D412-R414 WeakPolarHBondContact OD1-CG 3.14Å; D412-R414 IonicContact OD1-CZ 2.86Å; D412-R414 PolarHBondContact OD1-N 3.16Å; D412-R414 IonicContact OD1-NE 2.71Å; D412-R414 PolarHBondContact OD1-NE 2.74Å; D412-R414 IonicContact OD1-NH2 2.8Å; D412-R414 PolarHBondContact OD1-NH2 2.96Å; D412-R414 IonicContact OD2-CZ 3.27Å; D412-R414 IonicContact OD2-NE 3.3Å; D412-R414 IonicContact OD2-NH2 3.03Å; D412-R414 PolarHBondContact OD2-NH2 3.37Å; R414-K431 PolarHBondContact O-N 3.05Å; R414-K431 VanDerWaalsContact O-N 3.13Å; R414-A508 PolarHBondContact NH1-O 3.45Å; R414-A508 PolarHBondContact NH2-O 2.57Å; R414-A508 VanDerWaalsContact NH2-O 3.12Å; R414-T512 PolarHBondContact NH1-OG1 3.45Å; R414-L515 HydrophobicContact CB-CD1 4.24Å; R414-L515 HydrophobicContact CG-CD1 4.17Å
415	F	98.5	Very high	96.3	Very high	5 Å²	5	34.7 Å²	34.7	2%	0.022	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	154.5	-177.9	-55.8	-81.5	0	0	0	112.3	L409 D412 F428 R429 L430 K431 L440 I507 A511	L409-F415 HydrophobicContact CB-CB 4.31Å; L409-F415 HydrophobicContact CD2-CB 4.11Å; L409-F415 HydrophobicContact CD2-CD1 4.22Å; L409-F415 HydrophobicContact CD2-CD2 3.6Å; L409-F415 HydrophobicContact CD2-CE2 4.01Å; L409-F415 HydrophobicContact CD2-CG 3.71Å; L409-F415 HydrophobicContact CD2-CZ 4.46Å; D412-F415 HydrophobicContact CB-CD2 4Å; D412-F415 HydrophobicContact CB-CE2 4.31Å; F415-F428 AromaticContact CD1-CD2 3.75Å; F415-F428 HydrophobicContact CD1-CD2 3.75Å; F415-F428 HydrophobicContact CD1-CE2 4.05Å; F415-F428 HydrophobicContact CE1-CD2 4.24Å; F415-F428 HydrophobicContact CE1-CE2 4.07Å; F415-F428 HydrophobicContact CG-CD2 4.39Å; F415-R429 CarbonylContact C-O 3.53Å; F415-R429 VanDerWaalsContact CA-O 3.28Å; F415-R429 WeakPolarHBondContact CA-O 3.16Å; F415-L430 HydrophobicContact CD1-CD2 3.88Å; F415-L430 HydrophobicContact CE1-CD2 3.63Å; F415-L430 HydrophobicContact CE1-CG 4.43Å; F415-L430 HydrophobicContact CZ-CD2 4.33Å; F415-K431 WeakPolarHBondContact O-CE 3.23Å; F415-L440 HydrophobicContact CE1-CD2 3.95Å; F415-I507 HydrophobicContact CE1-CG2 3.98Å; F415-I507 HydrophobicContact CZ-CG2 3.76Å; F415-A511 HydrophobicContact CE1-CB 4.03Å; F415-A511 HydrophobicContact CE2-CB 4.43Å; F415-A511 HydrophobicContact CZ-CB 3.51Å
416	E	97	Very high	96.3	Very high	79 Å²	79	34.7 Å²	34.7	37%	0.369	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	144.9	164.2	60	-179.8	177.7	0	0	110.6	F428 R429 K431	E416-F428 CarbonylContact O-C 3.45Å; E416-F428 VanDerWaalsContact O-CA 3.24Å; E416-F428 WeakPolarHBondContact O-CA 3.31Å; E416-R429 HydrophobicContact CG-CG 3.45Å; E416-R429 VanDerWaalsContact CG-CG 3.45Å; E416-R429 PolarHBondContact N-O 3.34Å; E416-R429 PolarHBondContact O-N 3.17Å; E416-R429 WeakPolarHBondContact OE1-CD 3.32Å; E416-R429 WeakPolarHBondContact OE1-CG 3.32Å; E416-R429 IonicContact OE1-NE 2.76Å; E416-R429 PolarHBondContact OE1-NE 3.37Å; E416-K431 HydrophobicContact CB-CG 3.89Å; E416-K431 HydrophobicContact CG-CG 4.1Å
417	I	97.5	Very high	96.3	Very high	13 Å²	13	33.4 Å²	33.4	7%	0.067	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	126.2	175.8	-55.1	-58.6	0	0	0	108.5	K233 E406 L409 I410 N419 V421 V426 C427 F428	K233-I417 VanDerWaalsContact CE-O 3.23Å; K233-I417 WeakPolarHBondContact CE-O 3.02Å; E406-I417 HydrophobicContact CG-CG1 4.33Å; L409-I417 HydrophobicContact CB-CD1 3.86Å; L409-I417 HydrophobicContact CD1-CD1 3.58Å; L409-I417 HydrophobicContact CG-CD1 4.41Å; I410-I417 HydrophobicContact CD1-CG1 4.47Å; I410-I417 HydrophobicContact CG1-CG1 4.04Å; I417-N419 WeakPolarHBondContact CG2-O 3.21Å; I417-V421 HydrophobicContact CG2-CG2 3.92Å; I417-V426 HydrophobicContact CD1-CG1 3.79Å; I417-C427 CarbonylContact C-O 3.46Å; I417-C427 WeakPolarHBondContact CA-O 3.34Å; I417-F428 HydrophobicContact CD1-CB 3.89Å
418	V	95.5	Very high	96.3	Very high	13 Å²	13	27.6 Å²	27.6	8%	0.079	15%	0.149	C	C	.	.			trans	-98	-16.4	-172.4	-54.5	0	0	0	0	114.2	C427 R429 T484 F486	V418-C427 HydrophobicContact CG2-CB 3.25Å; V418-C427 PolarHBondContact N-O 2.9Å; V418-R429 HydrophobicContact CG1-CG 3.73Å; V418-T484 HydrophobicContact CG1-CG2 4.29Å; V418-F486 HydrophobicContact CG1-CB 4.27Å; V418-F486 HydrophobicContact CG2-CB 3.83Å; V418-F486 HydrophobicContact CG2-CD1 3.91Å; V418-F486 HydrophobicContact CG2-CD2 3.87Å; V418-F486 HydrophobicContact CG2-CE1 4.46Å; V418-F486 HydrophobicContact CG2-CE2 4.38Å; V418-F486 HydrophobicContact CG2-CG 3.59Å
419	N	95.6	Very high	96.2	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	14%	0.143	C	C	.	.	S	Bend	trans	-115.6	162.3	178.3	74.4	-47	0	0	0	112.6	T268 I417 V421 L425 C427	T268-N419 HydrophobicContact CG2-CB 4.25Å; T268-N419 WeakPolarHBondContact O-CB 3.26Å; T268-N419 PolarHBondContact O-ND2 3.23Å; I417-N419 WeakPolarHBondContact CG2-O 3.21Å; N419-V421 PolarHBondContact O-N 3.28Å; N419-L425 PolarHBondContact ND2-O 3.36Å; N419-C427 HydrophobicContact CB-CB 4.01Å; N419-C427 VanDerWaalsContact OD1-CB 3.31Å; N419-C427 WeakPolarHBondContact OD1-CB 3.48Å; N419-C427 PolarHBondContact OD1-N 2.79Å
420	D	92.8	Very high	96.2	Very high	50 Å²	50	26.7 Å²	26.7	27%	0.267	14%	0.143	S	C	.	.			trans	-78	106.2	165	-172.3	10.2	0	0	0	109	K234 Q422	K234-D420 WeakPolarHBondContact CE-OD2 3.42Å; K234-D420 HydrophobicContact CG-CB 4.27Å; K234-D420 IonicContact NZ-OD2 3.24Å; K234-D420 PolarHBondContact NZ-OD2 3.47Å; D420-Q422 HydrophobicContact CB-CG 4.19Å; D420-Q422 VanDerWaalsContact CG-CG 3.48Å; D420-Q422 PolarHBondContact O-N 3.24Å; D420-Q422 WeakPolarHBondContact OD2-CG 3.17Å; D420-Q422 PolarHBondContact OD2-NE2 3.43Å
421	V	94.4	Very high	96.2	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	14%	0.144	C	C	.	.			trans	-73.8	76.5	-176.5	-175	0	0	0	0	109.4	A402 K403 E406 I417 N419 V426	A402-V421 HydrophobicContact CB-CG1 4.21Å; K403-V421 HydrophobicContact CD-CG1 4.37Å; K403-V421 WeakPolarHBondContact CE-O 3.31Å; K403-V421 PolarHBondContact NZ-O 3.3Å; E406-V421 HydrophobicContact CB-CG2 4.41Å; E406-V421 HydrophobicContact CG-CG2 4.18Å; E406-V421 WeakPolarHBondContact OE1-CG2 3.42Å; I417-V421 HydrophobicContact CG2-CG2 3.92Å; N419-V421 PolarHBondContact O-N 3.28Å; V421-V426 HydrophobicContact CG1-CG2 3.88Å; V421-V426 HydrophobicContact CG2-CB 4.47Å; V421-V426 HydrophobicContact CG2-CG1 4.27Å; V421-V426 HydrophobicContact CG2-CG2 4.18Å
422	Q	85.6	Confident	95.9	Very high	55 Å²	55	27.8 Å²	27.8	26%	0.257	14%	0.137	S	C	.	.	S	Bend	trans	-89.8	-16.9	179.5	-59	-159.6	-30.5	0	0	113.2	F271 D420	F271-Q422 HydrophobicContact CE2-CB 4.15Å; D420-Q422 HydrophobicContact CB-CG 4.19Å; D420-Q422 VanDerWaalsContact CG-CG 3.48Å; D420-Q422 PolarHBondContact O-N 3.24Å; D420-Q422 WeakPolarHBondContact OD2-CG 3.17Å; D420-Q422 PolarHBondContact OD2-NE2 3.43Å
423	F	91	Very high	95.7	Very high	3 Å²	3	29.1 Å²	29.1	1%	0.013	15%	0.145	C	C	.	.	S	Bend	trans	-134.6	-147.9	-175.8	-160.1	-115.1	0	0	0	109.4	F271 Y294 A295 A298 L324 F399	F271-F423 HydrophobicContact CE2-CB 4.37Å; F271-F423 HydrophobicContact CZ-CB 4.15Å; F271-F423 HydrophobicContact CZ-CG 4.47Å; Y294-F423 AromaticContact CD1-CD1 3.93Å; Y294-F423 HydrophobicContact CD1-CD1 3.93Å; Y294-F423 AromaticContact CD1-CE1 3.92Å; Y294-F423 HydrophobicContact CD1-CE1 3.92Å; Y294-F423 AromaticContact CE1-CD1 3.27Å; Y294-F423 HydrophobicContact CE1-CD1 3.27Å; Y294-F423 AromaticContact CE1-CE1 3.49Å; Y294-F423 HydrophobicContact CE1-CE1 3.49Å; Y294-F423 VanDerWaalsContact CE1-CE1 3.49Å; Y294-F423 HydrophobicContact CE2-CE1 4.13Å; Y294-F423 HydrophobicContact CG-CE1 4.44Å; Y294-F423 AromaticContact CZ-CD1 3.68Å; Y294-F423 AromaticContact CZ-CE1 3.59Å; A295-F423 HydrophobicContact CB-CD1 4.28Å; A295-F423 HydrophobicContact CB-CE1 4.18Å; A295-F423 HydrophobicContact CB-CZ 4.42Å; A298-F423 HydrophobicContact CB-CD2 4.1Å; A298-F423 HydrophobicContact CB-CE2 3.32Å; A298-F423 HydrophobicContact CB-CZ 4.01Å; L324-F423 HydrophobicContact CD1-CE1 3.49Å; L324-F423 VanDerWaalsContact CD1-CE1 3.49Å; L324-F423 HydrophobicContact CD1-CZ 3.65Å; F399-F423 AromaticContact CD1-CD2 3.85Å; F399-F423 HydrophobicContact CD1-CD2 3.85Å; F399-F423 AromaticContact CD1-CE2 3.92Å; F399-F423 HydrophobicContact CD1-CE2 3.92Å; F399-F423 HydrophobicContact CD1-CG 4.3Å; F399-F423 HydrophobicContact CD1-CZ 4.43Å; F399-F423 HydrophobicContact CE1-CD1 4.31Å; F399-F423 AromaticContact CE1-CD2 3.37Å; F399-F423 HydrophobicContact CE1-CD2 3.37Å; F399-F423 HydrophobicContact CE1-CE1 4.01Å; F399-F423 AromaticContact CE1-CE2 2.96Å; F399-F423 HydrophobicContact CE1-CE2 2.96Å; F399-F423 HydrophobicContact CE1-CG 4.04Å; F399-F423 AromaticContact CE1-CZ 3.34Å; F399-F423 HydrophobicContact CE1-CZ 3.34Å; F399-F423 HydrophobicContact CE2-CE2 4.12Å; F399-F423 AromaticContact CZ-CD2 3.75Å; F399-F423 HydrophobicContact CZ-CD2 3.75Å; F399-F423 AromaticContact CZ-CE2 3.09Å; F399-F423 HydrophobicContact CZ-CE2 3.09Å; F399-F423 AromaticContact CZ-CZ 3.71Å; F399-F423 HydrophobicContact CZ-CZ 3.71Å
424	G	95.9	Very high	95.7	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.01	14%	0.138	C	C	.	.	S	Bend	trans	-89.7	9.1	-175.1	0	0	0	0	0	117.2	H398 V490	H398-G424 WeakPolarHBondContact NE2-CA 3.43Å; G424-V490 VanDerWaalsContact O-CG2 3.29Å; G424-V490 WeakPolarHBondContact O-CG2 3.3Å
425	L	98	Very high	95.7	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125.9	-179.8	178.9	67.5	0	0	0	111.1	Y85 C269 N419 R488 V490	Y85-L425 HydrophobicContact CE1-CB 4.37Å; Y85-L425 HydrophobicContact CE1-CD2 4.25Å; C269-L425 HydrophobicContact CB-CB 3.79Å; C269-L425 HydrophobicContact CB-CD2 3.6Å; C269-L425 HydrophobicContact CB-CG 4.28Å; N419-L425 PolarHBondContact ND2-O 3.36Å; L425-R488 HydrophobicContact CD1-CB 4Å; L425-R488 HydrophobicContact CD1-CG 4.39Å; L425-V490 HydrophobicContact CD1-CB 4.31Å
426	V	98.6	Very high	95.7	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	120.1	170.1	-173.9	0	0	0	0	109.1	A402 F405 E406 L409 I417 V421 F489	A402-V426 HydrophobicContact CB-CG2 3.97Å; A402-V426 WeakPolarHBondContact O-CG2 3.4Å; F405-V426 HydrophobicContact CD1-CB 3.85Å; F405-V426 HydrophobicContact CD1-CG1 3.9Å; F405-V426 HydrophobicContact CD1-CG2 4.02Å; F405-V426 HydrophobicContact CE1-CB 4.35Å; F405-V426 HydrophobicContact CE1-CG1 4.25Å; E406-V426 HydrophobicContact CB-CG2 4.43Å; L409-V426 HydrophobicContact CD1-CG1 4.09Å; I417-V426 HydrophobicContact CD1-CG1 3.79Å; V421-V426 HydrophobicContact CG1-CG2 3.88Å; V421-V426 HydrophobicContact CG2-CB 4.47Å; V421-V426 HydrophobicContact CG2-CG1 4.27Å; V421-V426 HydrophobicContact CG2-CG2 4.18Å; V426-F489 HydrophobicContact CB-CB 4.42Å; V426-F489 PolarHBondContact N-O 2.99Å; V426-F489 PolarHBondContact O-N 3.11Å
427	C	98.4	Very high	95.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	124.6	174.1	-60.7	0	0	0	0	108.8	S267 I417 V418 N419 F486 L487	S267-C427 PolarHBondContact O-SG 2.89Å; S267-C427 VanDerWaalsContact O-SG 3.33Å; I417-C427 CarbonylContact C-O 3.46Å; I417-C427 WeakPolarHBondContact CA-O 3.34Å; V418-C427 HydrophobicContact CG2-CB 3.25Å; V418-C427 PolarHBondContact N-O 2.9Å; N419-C427 HydrophobicContact CB-CB 4.01Å; N419-C427 VanDerWaalsContact OD1-CB 3.31Å; N419-C427 WeakPolarHBondContact OD1-CB 3.48Å; N419-C427 PolarHBondContact OD1-N 2.79Å; C427-F486 HydrophobicContact CB-CD2 3.62Å; C427-F486 HydrophobicContact CB-CE2 3.86Å; C427-F486 HydrophobicContact CB-CG 4.45Å; C427-L487 WeakPolarHBondContact CA-O 3.22Å
428	F	98.4	Very high	95.8	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	158.8	-173.8	73.9	-77.7	0	0	0	112.5	F405 L409 F415 E416 I417 L452 F486 L487 F489 I507	F405-F428 HydrophobicContact CE1-CD1 4.01Å; F405-F428 AromaticContact CE1-CE1 3.91Å; F405-F428 HydrophobicContact CE1-CE1 3.91Å; F405-F428 HydrophobicContact CZ-CE1 4.06Å; F405-F428 HydrophobicContact CZ-CZ 4.28Å; L409-F428 HydrophobicContact CD1-CB 3.6Å; L409-F428 HydrophobicContact CD1-CD1 3.91Å; L409-F428 HydrophobicContact CD1-CD2 3.87Å; L409-F428 HydrophobicContact CD1-CG 3.51Å; L409-F428 HydrophobicContact CD2-CD2 4Å; L409-F428 HydrophobicContact CD2-CE2 4.26Å; L409-F428 HydrophobicContact CD2-CG 4.49Å; F415-F428 AromaticContact CD1-CD2 3.75Å; F415-F428 HydrophobicContact CD1-CD2 3.75Å; F415-F428 HydrophobicContact CD1-CE2 4.05Å; F415-F428 HydrophobicContact CE1-CD2 4.24Å; F415-F428 HydrophobicContact CE1-CE2 4.07Å; F415-F428 HydrophobicContact CG-CD2 4.39Å; E416-F428 CarbonylContact O-C 3.45Å; E416-F428 VanDerWaalsContact O-CA 3.24Å; E416-F428 WeakPolarHBondContact O-CA 3.31Å; I417-F428 HydrophobicContact CD1-CB 3.89Å; F428-L452 HydrophobicContact CE1-CD2 4Å; F428-L452 HydrophobicContact CZ-CD2 4.12Å; F428-F486 WeakPolarHBondContact O-CB 3.34Å; F428-L487 HydrophobicContact CD1-CB 4.02Å; F428-L487 HydrophobicContact CE1-CB 3.54Å; F428-L487 HydrophobicContact CE1-CD1 4.44Å; F428-L487 HydrophobicContact CE2-CB 4.2Å; F428-L487 HydrophobicContact CE2-CD1 3.72Å; F428-L487 HydrophobicContact CZ-CB 3.65Å; F428-L487 HydrophobicContact CZ-CD1 3.66Å; F428-L487 HydrophobicContact CZ-CG 4.26Å; F428-L487 PolarHBondContact N-O 3.22Å; F428-L487 PolarHBondContact O-N 3.33Å; F428-F489 HydrophobicContact CE1-CB 4.13Å; F428-I507 HydrophobicContact CE2-CG2 3.81Å; F428-I507 HydrophobicContact CZ-CD1 3.97Å; F428-I507 HydrophobicContact CZ-CG2 4.07Å
429	R	98.1	Very high	95.9	Very high	13 Å²	13	33.8 Å²	33.8	5%	0.049	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	165.9	177.8	60	179.4	-71.9	157.3	11.2	110.9	F415 E416 V418 N434 T437 V485 F486	F415-R429 CarbonylContact C-O 3.53Å; F415-R429 VanDerWaalsContact CA-O 3.28Å; F415-R429 WeakPolarHBondContact CA-O 3.16Å; E416-R429 HydrophobicContact CG-CG 3.45Å; E416-R429 VanDerWaalsContact CG-CG 3.45Å; E416-R429 PolarHBondContact N-O 3.34Å; E416-R429 PolarHBondContact O-N 3.17Å; E416-R429 WeakPolarHBondContact OE1-CD 3.32Å; E416-R429 WeakPolarHBondContact OE1-CG 3.32Å; E416-R429 IonicContact OE1-NE 2.76Å; E416-R429 PolarHBondContact OE1-NE 3.37Å; V418-R429 HydrophobicContact CG1-CG 3.73Å; R429-N434 PolarHBondContact NH1-OD1 3.48Å; R429-N434 VanDerWaalsContact NH2-N 3.18Å; R429-N434 PolarHBondContact NH2-OD1 3.23Å; R429-T437 HydrophobicContact CB-CG2 3.96Å; R429-V485 PolarHBondContact NH1-O 2.88Å; R429-F486 HydrophobicContact CB-CB 4.17Å
430	L	98.2	Very high	96	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	137.9	165.4	-68.8	173	0	0	0	108.8	F415 H432 L436 T437 L440 A511 I514 L515	F415-L430 HydrophobicContact CD1-CD2 3.88Å; F415-L430 HydrophobicContact CE1-CD2 3.63Å; F415-L430 HydrophobicContact CE1-CG 4.43Å; F415-L430 HydrophobicContact CZ-CD2 4.33Å; L430-H432 PolarHBondContact O-N 3.1Å; L430-L436 HydrophobicContact CD1-CB 3.96Å; L430-T437 PolarHBondContact N-OG1 3.43Å; L430-L440 HydrophobicContact CD1-CB 4.18Å; L430-L440 HydrophobicContact CD1-CD2 4.2Å; L430-L440 HydrophobicContact CD2-CD2 4.39Å; L430-L440 HydrophobicContact CG-CD2 4.04Å; L430-A511 HydrophobicContact CD2-CB 4.07Å; L430-I514 HydrophobicContact CD1-CG2 4.49Å; L430-L515 HydrophobicContact CD1-CD2 4.42Å; L430-L515 HydrophobicContact CD2-CD1 4.31Å
431	K	96	Very high	96.3	Very high	117 Å²	117	32.8 Å²	32.8	51%	0.509	15%	0.152	S	C	.	.	S	Bend	trans	-62.1	-7.7	-179.5	-77.9	-177.3	177.9	167.5	0	115.3	G413 R414 F415 E416	G413-K431 WeakPolarHBondContact O-CD 3.33Å; G413-K431 VanDerWaalsContact O-CE 3.3Å; G413-K431 WeakPolarHBondContact O-CE 3.11Å; G413-K431 PolarHBondContact O-NZ 3.44Å; R414-K431 PolarHBondContact O-N 3.05Å; R414-K431 VanDerWaalsContact O-N 3.13Å; F415-K431 WeakPolarHBondContact O-CE 3.23Å; E416-K431 HydrophobicContact CB-CG 3.89Å; E416-K431 HydrophobicContact CG-CG 4.1Å
432	H	92.4	Very high	96.4	Very high	97 Å²	97	38.2 Å²	38.2	45%	0.449	18%	0.177	S	C	.	.	S	Bend	trans	-79.2	-102.2	179.1	-66.5	-74.5	0	0	0	111	L430 L436 L515	L430-H432 PolarHBondContact O-N 3.1Å; H432-L436 HydrophobicContact CB-CD1 3.66Å; H432-L436 HydrophobicContact CB-CG 4.45Å; H432-L515 WeakPolarHBondContact CD2-CD2 3.45Å; H432-L515 WeakPolarHBondContact NE2-CD2 3.34Å
433	N	94	Very high	96.9	Very high	63 Å²	63	37 Å²	37	34%	0.337	17%	0.173	S	C	.	.			trans	-136.2	171.7	-171.9	63.7	49.7	0	0	0	111.3	E435 L436 T437	N433-E435 PolarHBondContact O-N 3.2Å; N433-E435 WeakPolarHBondContact OD1-CA 3.47Å; N433-E435 WeakPolarHBondContact OD1-CB 3.49Å; N433-E435 PolarHBondContact OD1-N 2.92Å; N433-L436 PolarHBondContact O-N 2.89Å; N433-L436 PolarHBondContact OD1-N 3.24Å; N433-T437 PolarHBondContact O-N 3.29Å; N433-T437 PolarHBondContact O-OG1 3.19Å
434	N	96.9	Very high	97.1	Very high	39 Å²	39	37.1 Å²	37.1	21%	0.209	17%	0.173	C	C	.	.	H	α-helix	trans	-61	-34.9	-178.2	-68.7	-17.9	0	0	0	112	R429 T437 K438 T483 V485	R429-N434 PolarHBondContact NH1-OD1 3.48Å; R429-N434 VanDerWaalsContact NH2-N 3.18Å; R429-N434 PolarHBondContact NH2-OD1 3.23Å; N434-T437 PolarHBondContact O-N 3.41Å; N434-K438 WeakPolarHBondContact O-CG 3.24Å; N434-K438 PolarHBondContact O-N 3.49Å; N434-T483 PolarHBondContact ND2-O 3.24Å; N434-V485 HydrophobicContact CB-CB 4.01Å; N434-V485 HydrophobicContact CB-CG2 3.99Å; N434-V485 PolarHBondContact OD1-N 2.79Å; N434-V485 VanDerWaalsContact OD1-N 3.12Å
435	E	97.4	Very high	97	Very high	102 Å²	102	39.3 Å²	39.3	48%	0.477	18%	0.184	S	C	.	.	H	α-helix	trans	-68.5	-41.1	-177.2	-63.2	-52.2	126.5	0	0	112.2	N433 T437 K438 K439	N433-E435 PolarHBondContact O-N 3.2Å; N433-E435 WeakPolarHBondContact OD1-CA 3.47Å; N433-E435 WeakPolarHBondContact OD1-CB 3.49Å; N433-E435 PolarHBondContact OD1-N 2.92Å; E435-T437 VanDerWaalsContact C-N 3.33Å; E435-T437 PolarHBondContact O-N 2.93Å; E435-K438 PolarHBondContact O-N 3.42Å; E435-K438 IonicContact OE1-NZ 2.63Å; E435-K438 PolarHBondContact OE1-NZ 3.4Å; E435-K438 IonicContact OE2-NZ 3.49Å; E435-K439 WeakPolarHBondContact O-CG 3.34Å; E435-K439 PolarHBondContact O-N 3.21Å
436	L	97.7	Very high	96.8	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-65.8	-37.6	174.8	-64.7	-168.7	0	0	0	112.1	L430 H432 N433 K438 K439 L440 I514 L515 F518	L430-L436 HydrophobicContact CD1-CB 3.96Å; H432-L436 HydrophobicContact CB-CD1 3.66Å; H432-L436 HydrophobicContact CB-CG 4.45Å; N433-L436 PolarHBondContact O-N 2.89Å; N433-L436 PolarHBondContact OD1-N 3.24Å; L436-K438 VanDerWaalsContact C-N 3.34Å; L436-K439 HydrophobicContact CD2-CD 4.27Å; L436-K439 PolarHBondContact O-N 2.89Å; L436-L440 PolarHBondContact O-N 3.46Å; L436-I514 HydrophobicContact CB-CG2 4.47Å; L436-I514 HydrophobicContact CD2-CG2 4.11Å; L436-L515 HydrophobicContact CD1-CD2 4.1Å; L436-F518 HydrophobicContact CD1-CB 4.15Å; L436-F518 HydrophobicContact CD1-CD1 3.84Å; L436-F518 HydrophobicContact CD1-CD2 3.88Å; L436-F518 HydrophobicContact CD1-CE1 4.16Å; L436-F518 HydrophobicContact CD1-CE2 4.2Å; L436-F518 HydrophobicContact CD1-CG 3.67Å; L436-F518 HydrophobicContact CD1-CZ 4.32Å; L436-F518 HydrophobicContact CD2-CB 4.16Å; L436-F518 HydrophobicContact CD2-CD2 3.81Å; L436-F518 HydrophobicContact CD2-CE2 4.47Å; L436-F518 HydrophobicContact CD2-CG 4.1Å; L436-F518 HydrophobicContact CG-CD2 4.31Å; L436-F518 HydrophobicContact CG-CG 4.5Å
437	T	98.3	Very high	96.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.2	-39	174.1	-60.7	0	0	0	0	111.9	R429 L430 N433 N434 E435 L440 H441 L454 L487	R429-T437 HydrophobicContact CB-CG2 3.96Å; L430-T437 PolarHBondContact N-OG1 3.43Å; N433-T437 PolarHBondContact O-N 3.29Å; N433-T437 PolarHBondContact O-OG1 3.19Å; N434-T437 PolarHBondContact O-N 3.41Å; E435-T437 VanDerWaalsContact C-N 3.33Å; E435-T437 PolarHBondContact O-N 2.93Å; T437-L440 PolarHBondContact O-N 3.1Å; T437-H441 PolarHBondContact O-N 2.99Å; T437-L454 HydrophobicContact CG2-CD2 4.25Å; T437-L487 HydrophobicContact CG2-CD1 4.46Å; T437-L487 HydrophobicContact CG2-CG 4.41Å
438	K	98.3	Very high	96.1	Very high	69 Å²	69	49.2 Å²	49.2	30%	0.3	24%	0.237	S	C	.	.	H	α-helix	trans	-64	-45.2	173.1	-70.8	171.2	-174.2	171.2	0	111.7	N434 E435 L436 L440 H441 E442 L454 V485	N434-K438 WeakPolarHBondContact O-CG 3.24Å; N434-K438 PolarHBondContact O-N 3.49Å; E435-K438 PolarHBondContact O-N 3.42Å; E435-K438 IonicContact OE1-NZ 2.63Å; E435-K438 PolarHBondContact OE1-NZ 3.4Å; E435-K438 IonicContact OE2-NZ 3.49Å; L436-K438 VanDerWaalsContact C-N 3.34Å; K438-L440 VanDerWaalsContact C-N 3.31Å; K438-L440 PolarHBondContact O-N 3.38Å; K438-H441 WeakPolarHBondContact O-CB 3.1Å; K438-H441 PolarHBondContact O-N 3.16Å; K438-H441 VanDerWaalsContact O-N 3.1Å; K438-E442 WeakPolarHBondContact O-CG 3.44Å; K438-E442 PolarHBondContact O-N 3.41Å; K438-L454 HydrophobicContact CG-CD1 4.06Å; K438-V485 HydrophobicContact CG-CG1 4.25Å
439	K	97.9	Very high	95.7	Very high	93 Å²	93	52.6 Å²	52.6	40%	0.404	25%	0.253	S	S	.	.	H	α-helix	trans	-60.1	-39.8	175.6	-73.1	-176.3	179.7	-174.1	0	112.5	E435 L436 E442 N443 I514	E435-K439 WeakPolarHBondContact O-CG 3.34Å; E435-K439 PolarHBondContact O-N 3.21Å; L436-K439 HydrophobicContact CD2-CD 4.27Å; L436-K439 PolarHBondContact O-N 2.89Å; K439-E442 PolarHBondContact O-N 2.97Å; K439-N443 WeakPolarHBondContact O-CB 3.38Å; K439-N443 PolarHBondContact O-N 3.49Å; K439-I514 HydrophobicContact CB-CD1 4.06Å; K439-I514 HydrophobicContact CB-CG2 4.18Å
440	L	98.2	Very high	95.6	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-59.5	-46.8	172.7	173.4	60.6	0	0	0	111.2	F415 L430 L436 T437 K438 N443 L444 L487 C510 A511	F415-L440 HydrophobicContact CE1-CD2 3.95Å; L430-L440 HydrophobicContact CD1-CB 4.18Å; L430-L440 HydrophobicContact CD1-CD2 4.2Å; L430-L440 HydrophobicContact CD2-CD2 4.39Å; L430-L440 HydrophobicContact CG-CD2 4.04Å; L436-L440 PolarHBondContact O-N 3.46Å; T437-L440 PolarHBondContact O-N 3.1Å; K438-L440 VanDerWaalsContact C-N 3.31Å; K438-L440 PolarHBondContact O-N 3.38Å; L440-N443 PolarHBondContact O-N 3.14Å; L440-L444 HydrophobicContact CD1-CD1 3.87Å; L440-L444 HydrophobicContact CD1-CG 4.19Å; L440-L444 HydrophobicContact CG-CD1 3.94Å; L440-L444 WeakPolarHBondContact O-CB 3.42Å; L440-L444 VanDerWaalsContact O-CG 3.29Å; L440-L444 WeakPolarHBondContact O-CG 3.44Å; L440-L444 PolarHBondContact O-N 3.34Å; L440-L487 HydrophobicContact CD2-CD1 3.7Å; L440-L487 HydrophobicContact CG-CD1 4.08Å; L440-C510 HydrophobicContact CD1-CB 3.59Å; L440-A511 HydrophobicContact CD1-CB 4.31Å
441	H	98	Very high	95.6	Very high	30 Å²	30	53.8 Å²	53.8	14%	0.139	26%	0.258	C	S	.	.	H	α-helix	trans	-59.9	-46.7	176.1	178.7	-115.4	0	0	0	112.2	T437 K438 N443 L444 L445 L452 L454 L487	T437-H441 PolarHBondContact O-N 2.99Å; K438-H441 WeakPolarHBondContact O-CB 3.1Å; K438-H441 PolarHBondContact O-N 3.16Å; K438-H441 VanDerWaalsContact O-N 3.1Å; H441-N443 PolarHBondContact O-N 3.11Å; H441-L444 PolarHBondContact O-N 2.88Å; H441-L445 WeakPolarHBondContact O-CB 3.38Å; H441-L445 PolarHBondContact O-N 3.2Å; H441-L452 PolarHBondContact NE2-O 3.12Å; H441-L454 HydrophobicContact CB-CD1 4Å; H441-L454 HydrophobicContact CB-CD2 3.92Å; H441-L454 HydrophobicContact CB-CG 3.9Å; H441-L487 HydrophobicContact CB-CD2 3.89Å
442	E	96.8	Very high	95.7	Very high	115 Å²	115	48.3 Å²	48.3	54%	0.537	23%	0.234	S	C	.	.	H	α-helix	trans	-60	-45	178.1	-73.2	174.4	178	0	0	111.9	K438 K439 L445 N446	K438-E442 WeakPolarHBondContact O-CG 3.44Å; K438-E442 PolarHBondContact O-N 3.41Å; K439-E442 PolarHBondContact O-N 2.97Å; E442-L445 PolarHBondContact O-N 3.04Å; E442-N446 WeakPolarHBondContact O-CB 3.36Å; E442-N446 PolarHBondContact O-N 3.03Å; E442-N446 PolarHBondContact O-ND2 3.42Å
443	N	96.1	Very high	96	Very high	31 Å²	31	44.6 Å²	44.6	17%	0.166	22%	0.218	C	C	.	.	H	α-helix	trans	-62.5	-46	177.7	-168.3	-1.3	0	0	0	111.1	K439 L440 H441 L445 N446 K447 E513 I514	K439-N443 WeakPolarHBondContact O-CB 3.38Å; K439-N443 PolarHBondContact O-N 3.49Å; L440-N443 PolarHBondContact O-N 3.14Å; H441-N443 PolarHBondContact O-N 3.11Å; N443-L445 VanDerWaalsContact C-N 3.34Å; N443-L445 PolarHBondContact O-N 3.27Å; N443-N446 PolarHBondContact O-N 3.1Å; N443-K447 PolarHBondContact O-N 3.26Å; N443-K447 VanDerWaalsContact OD1-CE 3.32Å; N443-K447 WeakPolarHBondContact OD1-CE 3.49Å; N443-E513 PolarHBondContact ND2-OE2 3.09Å; N443-I514 HydrophobicContact CB-CD1 4.33Å
444	L	96	Very high	96.2	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.026	22%	0.216	C	C	.	.	H	α-helix	trans	-59	-44.4	174.9	-72.2	165.5	0	0	0	112.1	L440 H441 N446 K447 G448 L450 L452 I507 C510	L440-L444 HydrophobicContact CD1-CD1 3.87Å; L440-L444 HydrophobicContact CD1-CG 4.19Å; L440-L444 HydrophobicContact CG-CD1 3.94Å; L440-L444 WeakPolarHBondContact O-CB 3.42Å; L440-L444 VanDerWaalsContact O-CG 3.29Å; L440-L444 WeakPolarHBondContact O-CG 3.44Å; L440-L444 PolarHBondContact O-N 3.34Å; H441-L444 PolarHBondContact O-N 2.88Å; L444-N446 VanDerWaalsContact C-N 3.3Å; L444-N446 PolarHBondContact O-N 2.82Å; L444-K447 PolarHBondContact O-N 3.39Å; L444-G448 PolarHBondContact O-N 3.47Å; L444-L450 HydrophobicContact CD2-CD1 4.23Å; L444-L452 HydrophobicContact CD1-CD1 4.17Å; L444-I507 HydrophobicContact CD1-CG1 4.22Å; L444-I507 HydrophobicContact CD2-CG1 4.3Å; L444-C510 HydrophobicContact CD2-CB 4.06Å; L444-C510 HydrophobicContact CG-CB 4.23Å
445	L	94	Very high	96.2	Very high	47 Å²	47	43.7 Å²	43.7	25%	0.246	22%	0.215	C	C	.	.	H	α-helix	trans	-67.6	-30.2	179.2	-167.5	73.5	0	0	0	112.6	L32 K35 H441 E442 N443 Y451	L32-L445 HydrophobicContact CD1-CD1 3.61Å; K35-L445 WeakPolarHBondContact CE-O 3.31Å; K35-L445 PolarHBondContact NZ-O 3.48Å; H441-L445 WeakPolarHBondContact O-CB 3.38Å; H441-L445 PolarHBondContact O-N 3.2Å; E442-L445 PolarHBondContact O-N 3.04Å; N443-L445 VanDerWaalsContact C-N 3.34Å; N443-L445 PolarHBondContact O-N 3.27Å; L445-Y451 HydrophobicContact CD1-CD2 4.13Å; L445-Y451 HydrophobicContact CD1-CE2 4.13Å
446	N	92.6	Very high	96.1	Very high	115 Å²	115	41.2 Å²	41.2	62%	0.615	21%	0.209	S	C	*	.	H	α-helix	trans	-76.7	-36.7	177.2	-71.7	-18.4	0	0	0	112.3	K35 E442 N443 L444 G448	K35-N446 PolarHBondContact NZ-OD1 3.48Å; E442-N446 WeakPolarHBondContact O-CB 3.36Å; E442-N446 PolarHBondContact O-N 3.03Å; E442-N446 PolarHBondContact O-ND2 3.42Å; N443-N446 PolarHBondContact O-N 3.1Å; L444-N446 VanDerWaalsContact C-N 3.3Å; L444-N446 PolarHBondContact O-N 2.82Å; N446-G448 VanDerWaalsContact C-N 3.31Å
447	K	92	Very high	95.7	Very high	79 Å²	79	41.4 Å²	41.4	34%	0.343	21%	0.21	S	C	.	.	H	α-helix	trans	-68.7	-31.6	172.2	-69.2	-176.5	-176.5	174	0	112.3	N443 L444 E449 C510 E513	N443-K447 PolarHBondContact O-N 3.26Å; N443-K447 VanDerWaalsContact OD1-CE 3.32Å; N443-K447 WeakPolarHBondContact OD1-CE 3.49Å; L444-K447 PolarHBondContact O-N 3.39Å; K447-E449 HydrophobicContact CB-CG 4.31Å; K447-E449 PolarHBondContact O-N 2.99Å; K447-E449 VanDerWaalsContact O-N 3.16Å; K447-C510 PolarHBondContact NZ-SG 3.29Å; K447-E513 IonicContact NZ-OE1 2.68Å; K447-E513 PolarHBondContact NZ-OE1 3.46Å; K447-E513 IonicContact NZ-OE2 3.18Å; K447-E513 PolarHBondContact NZ-OE2 2.9Å
448	G	90.7	Very high	95.2	Very high	15 Å²	15	46.1 Å²	46.1	16%	0.155	23%	0.231	C	C	.	.			trans	69.1	10.2	174.5	0	0	0	0	0	114.9	V31 L444 N446	V31-G448 VanDerWaalsContact CG1-O 3.24Å; V31-G448 WeakPolarHBondContact CG1-O 3.35Å; L444-G448 PolarHBondContact O-N 3.47Å; N446-G448 VanDerWaalsContact C-N 3.31Å
449	E	91	Very high	94.1	Very high	70 Å²	70	45.1 Å²	45.1	33%	0.327	23%	0.228	S	C	.	.	S	Bend	trans	-79	-28.7	179.5	-59.2	-175.1	120.8	0	0	112.2	D80 K447 K506	D80-E449 VanDerWaalsContact CB-O 3.3Å; D80-E449 WeakPolarHBondContact CB-O 3.41Å; K447-E449 HydrophobicContact CB-CG 4.31Å; K447-E449 PolarHBondContact O-N 2.99Å; K447-E449 VanDerWaalsContact O-N 3.16Å; E449-K506 WeakPolarHBondContact OE1-CE 3.15Å; E449-K506 IonicContact OE1-NZ 2.76Å; E449-K506 PolarHBondContact OE1-NZ 2.97Å; E449-K506 VanDerWaalsContact OE2-CD 3.31Å; E449-K506 WeakPolarHBondContact OE2-CD 3.34Å; E449-K506 VanDerWaalsContact OE2-CE 3.29Å; E449-K506 WeakPolarHBondContact OE2-CE 3.25Å; E449-K506 IonicContact OE2-NZ 3.22Å; E449-K506 PolarHBondContact OE2-NZ 2.88Å
450	L	96	Very high	92.5	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	22%	0.224	C	C	.	.	S	Bend	trans	-129	149.3	176	-58.3	-178.9	0	0	0	109.2	D80 L444 L452 Y502 A503 K506 I507	D80-L450 HydrophobicContact CB-CD2 3.5Å; D80-L450 VanDerWaalsContact CB-CD2 3.5Å; L444-L450 HydrophobicContact CD2-CD1 4.23Å; L450-L452 HydrophobicContact CB-CD1 3.75Å; L450-L452 HydrophobicContact CD1-CD1 4.15Å; L450-Y502 HydrophobicContact CD2-CE1 4.44Å; L450-A503 HydrophobicContact CD1-CB 4.23Å; L450-A503 HydrophobicContact CD2-CB 3.88Å; L450-K506 HydrophobicContact CD1-CB 3.81Å; L450-K506 HydrophobicContact CG-CB 4.19Å; L450-I507 HydrophobicContact CD1-CD1 4.03Å; L450-I507 HydrophobicContact CD1-CG1 3.65Å
451	Y	97.6	Very high	90.2	Very high	36 Å²	36	45.7 Å²	45.7	14%	0.141	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-116.6	111	168	-171.8	-155.8	0	0	0	111.4	L32 T74 D80 F81 H82 A83 Y84 L445 V453	L32-Y451 HydrophobicContact CD1-CD2 3.88Å; L32-Y451 HydrophobicContact CD1-CG 4.04Å; L32-Y451 HydrophobicContact CD2-CD1 3.81Å; L32-Y451 HydrophobicContact CD2-CD2 4.02Å; L32-Y451 HydrophobicContact CD2-CE1 4.02Å; L32-Y451 HydrophobicContact CD2-CE2 4.24Å; L32-Y451 HydrophobicContact CD2-CG 3.8Å; L32-Y451 HydrophobicContact CG-CD1 4.43Å; L32-Y451 HydrophobicContact CG-CD2 4.31Å; L32-Y451 HydrophobicContact CG-CG 4.04Å; T74-Y451 HydrophobicContact CG2-CD1 3.86Å; T74-Y451 HydrophobicContact CG2-CE1 3.92Å; D80-Y451 PolarHBondContact O-N 2.84Å; F81-Y451 AromaticContact CD2-CD1 3.77Å; F81-Y451 HydrophobicContact CD2-CD1 3.77Å; F81-Y451 AromaticContact CE2-CD1 3.51Å; F81-Y451 HydrophobicContact CE2-CD1 3.51Å; F81-Y451 AromaticContact CE2-CE1 3.88Å; F81-Y451 HydrophobicContact CE2-CE1 3.88Å; F81-Y451 HydrophobicContact CZ-CD1 4.33Å; F81-Y451 HydrophobicContact CZ-CE1 4.49Å; H82-Y451 CarbonylContact C-O 3.5Å; H82-Y451 VanDerWaalsContact C-O 3.25Å; H82-Y451 VanDerWaalsContact CA-O 3.3Å; H82-Y451 WeakPolarHBondContact CA-O 3.47Å; H82-Y451 PolarHBondContact N-O 3.33Å; A83-Y451 HydrophobicContact CB-CD1 3.48Å; A83-Y451 VanDerWaalsContact CB-CD1 3.48Å; A83-Y451 HydrophobicContact CB-CD2 4.14Å; A83-Y451 HydrophobicContact CB-CE1 3.55Å; A83-Y451 HydrophobicContact CB-CE2 4.18Å; A83-Y451 HydrophobicContact CB-CG 3.8Å; A83-Y451 PolarHBondContact N-O 3.47Å; Y84-Y451 HydrophobicContact CE2-CE1 4.11Å; Y84-Y451 PolarHBondContact OH-OH 2.73Å; L445-Y451 HydrophobicContact CD1-CD2 4.13Å; L445-Y451 HydrophobicContact CD1-CE2 4.13Å; Y451-V453 HydrophobicContact CE2-CG1 4.23Å
452	L	97.9	Very high	87.9	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.016	27%	0.27	C	S	.	.			trans	-121	160.7	170.9	-57.5	98.4	0	0	0	109.8	H82 F428 H441 L444 L450 L487 F489 I507	H82-L452 HydrophobicContact CB-CG 4.28Å; F428-L452 HydrophobicContact CE1-CD2 4Å; F428-L452 HydrophobicContact CZ-CD2 4.12Å; H441-L452 PolarHBondContact NE2-O 3.12Å; L444-L452 HydrophobicContact CD1-CD1 4.17Å; L450-L452 HydrophobicContact CB-CD1 3.75Å; L450-L452 HydrophobicContact CD1-CD1 4.15Å; L452-L487 HydrophobicContact CB-CD2 3.96Å; L452-F489 HydrophobicContact CD2-CB 4.35Å; L452-F489 HydrophobicContact CD2-CD2 4.15Å; L452-I507 HydrophobicContact CD2-CD1 4.24Å
453	V	97.9	Very high	85	Confident	18 Å²	18	54.8 Å²	54.8	11%	0.109	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	148.3	173.1	-66.5	0	0	0	0	110.4	A83 Y84 Y451 R488	A83-V453 HydrophobicContact CB-CG1 3.73Å; Y84-V453 HydrophobicContact CD1-CG1 4.43Å; Y84-V453 HydrophobicContact CE1-CG1 4.05Å; Y84-V453 HydrophobicContact CE2-CG1 4.22Å; Y451-V453 HydrophobicContact CE2-CG1 4.23Å; V453-R488 HydrophobicContact CG2-CB 4.31Å; V453-R488 PolarHBondContact O-N 3.39Å
454	L	98	Very high	82	Confident	58 Å²	58	61.2 Å²	61.2	30%	0.304	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	152	167.2	-69.8	173.2	0	0	0	110.5	T437 K438 H441 V485 F486 L487	T437-L454 HydrophobicContact CG2-CD2 4.25Å; K438-L454 HydrophobicContact CG-CD1 4.06Å; H441-L454 HydrophobicContact CB-CD1 4Å; H441-L454 HydrophobicContact CB-CD2 3.92Å; H441-L454 HydrophobicContact CB-CG 3.9Å; L454-V485 HydrophobicContact CD1-CG1 4.39Å; L454-V485 HydrophobicContact CD2-CG1 3.92Å; L454-F486 CarbonylContact C-O 3.6Å; L454-F486 WeakPolarHBondContact CA-O 3.35Å; L454-L487 HydrophobicContact CD2-CD2 4.03Å; L454-L487 HydrophobicContact CD2-CG 4.08Å
455	S	97	Very high	78.9	Confident	25 Å²	25	67.7 Å²	67.7	18%	0.175	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	169.7	165.5	-176.2	0	0	0	0	108.9	S267 F486 R488	S267-S455 WeakPolarHBondContact CB-OG 3.42Å; S267-S455 PolarHBondContact OG-OG 3.46Å; S455-F486 PolarHBondContact N-O 2.93Å; S455-F486 PolarHBondContact O-N 3.49Å; S455-R488 VanDerWaalsContact CB-CD 3.48Å
456	S	95.2	Very high	75.8	Confident	51 Å²	51	72.1 Å²	72.1	36%	0.357	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	155.6	178.2	57.5	0	0	0	0	110.8	T484	S456-T484 WeakPolarHBondContact CA-O 3.36Å; S456-T484 VanDerWaalsContact CB-O 3.31Å; S456-T484 WeakPolarHBondContact CB-O 3.49Å
457	Y	91.2	Very high	72.7	Confident	8 Å²	8	76.1 Å²	76.1	3%	0.031	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	158.6	164.4	64.8	-101.9	0	0	0	108.8	K230 L235 T268 E459 T484 F486	K230-Y457 HydrophobicContact CD-CE2 4.11Å; K230-Y457 WeakPolarHBondContact CE-OH 3.32Å; K230-Y457 PolarHBondContact NZ-OH 3.45Å; L235-Y457 HydrophobicContact CD1-CD1 3.88Å; L235-Y457 HydrophobicContact CD1-CD2 4.2Å; L235-Y457 HydrophobicContact CD1-CG 3.68Å; L235-Y457 HydrophobicContact CD2-CD2 3.76Å; L235-Y457 HydrophobicContact CD2-CE2 3.99Å; L235-Y457 HydrophobicContact CD2-CG 4.1Å; L235-Y457 HydrophobicContact CG-CG 4.47Å; T268-Y457 HydrophobicContact CG2-CD1 4.23Å; Y457-E459 HydrophobicContact CD2-CG 3.96Å; Y457-E459 HydrophobicContact CE2-CG 3.47Å; Y457-E459 VanDerWaalsContact CE2-CG 3.47Å; Y457-E459 WeakPolarHBondContact CE2-OE1 3.38Å; Y457-E459 PolarHBondContact OH-OE1 2.92Å; Y457-T484 HydrophobicContact CE1-CG2 3.91Å; Y457-T484 PolarHBondContact N-O 3.48Å; Y457-T484 PolarHBondContact O-N 3.45Å; Y457-T484 VanDerWaalsContact O-N 3.1Å; Y457-F486 HydrophobicContact CD1-CD1 4.29Å; Y457-F486 AromaticContact CD1-CE1 3.44Å; Y457-F486 HydrophobicContact CD1-CE1 3.44Å; Y457-F486 VanDerWaalsContact CD1-CE1 3.44Å; Y457-F486 HydrophobicContact CD1-CZ 4.1Å; Y457-F486 HydrophobicContact CE1-CD1 4.28Å; Y457-F486 AromaticContact CE1-CE1 3.85Å; Y457-F486 HydrophobicContact CE1-CE1 3.85Å; Y457-F486 HydrophobicContact CG-CE1 4.47Å
458	H	86.2	Confident	69.6	Low	99 Å²	99	80.4 Å²	80.4	46%	0.458	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	130.2	178.7	-59.8	-67.4	0	0	0	109.5	T483	H458-T483 PolarHBondContact CE1-OG1 2.85Å; H458-T483 VanDerWaalsContact CE1-OG1 3.28Å; H458-T483 PolarHBondContact ND1-OG1 3.3Å
459	E	76.8	Confident	66.7	Low	47 Å²	47	87 Å²	87	22%	0.22	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	109.2	174.1	-61	176.8	-155.9	0	0	107.6	K230 Y457 T481 T482 T484	K230-E459 HydrophobicContact CB-CG 4.41Å; K230-E459 HydrophobicContact CD-CG 3.81Å; K230-E459 WeakPolarHBondContact CD-OE1 3.34Å; K230-E459 WeakPolarHBondContact CD-OE2 3.41Å; K230-E459 WeakPolarHBondContact CE-OE1 3.33Å; K230-E459 VanDerWaalsContact NZ-CD 3.33Å; K230-E459 IonicContact NZ-OE1 3.1Å; K230-E459 PolarHBondContact NZ-OE1 2.92Å; K230-E459 IonicContact NZ-OE2 2.73Å; K230-E459 PolarHBondContact NZ-OE2 3.5Å; Y457-E459 HydrophobicContact CD2-CG 3.96Å; Y457-E459 HydrophobicContact CE2-CG 3.47Å; Y457-E459 VanDerWaalsContact CE2-CG 3.47Å; Y457-E459 WeakPolarHBondContact CE2-OE1 3.38Å; Y457-E459 PolarHBondContact OH-OE1 2.92Å; E459-T481 VanDerWaalsContact O-CA 3.32Å; E459-T481 WeakPolarHBondContact O-CA 3.36Å; E459-T482 PolarHBondContact N-O 3.1Å; E459-T482 PolarHBondContact O-N 3.01Å; E459-T484 PolarHBondContact OE1-OG1 3.45Å
460	S	63.7	Low	63.7	Low	46 Å²	46	90.6 Å²	90.6	32%	0.322	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	110.5	168.4	54.4	0	0	0	0	108.7	R462	S460-R462 PolarHBondContact O-N 3.48Å; S460-R462 VanDerWaalsContact O-N 3.1Å
461	A	50.6	Low	60.6	Low	60 Å²	60	96.3 Å²	96.3	50%	0.496	50%	0.501	S	S	.	.			trans	-77.8	90.5	169.7	0	0	0	0	0	108.5	Q463	A461-Q463 PolarHBondContact O-N 3.02Å
462	R	49.5	Very low	57.3	Low	166 Å²	166	103.6 Å²	103.6	63%	0.626	54%	0.539	S	S	*	.			trans	-79.7	107.7	155.6	-87.9	-175.8	168.9	166.6	0.9	106.8	S460 E464 E477	S460-R462 PolarHBondContact O-N 3.48Å; S460-R462 VanDerWaalsContact O-N 3.1Å; R462-E464 PolarHBondContact O-N 3.41Å; R462-E477 IonicContact NE-OE2 3.5Å
463	Q	34.7	Very low	54	Low	169 Å²	169	107.1 Å²	107.1	79%	0.79	56%	0.564	S	S	*	*			trans	-60.3	119	163.6	-83.1	-177.5	-21.4	0	0	106.5	A461 L465	A461-Q463 PolarHBondContact O-N 3.02Å; Q463-L465 PolarHBondContact O-N 2.9Å
464	E	34	Very low	50.8	Low	167 Å²	167	117.5 Å²	117.5	78%	0.78	60%	0.603	S	S	*	*			trans	-59.3	95.6	162.9	-79.3	-177	161.4	0	0	106.8	R462 N466	R462-E464 PolarHBondContact O-N 3.41Å; E464-N466 VanDerWaalsContact C-N 3.3Å; E464-N466 PolarHBondContact O-N 2.85Å
465	L	29.8	Very low	47.4	Very low	140 Å²	140	122 Å²	122	73%	0.733	62%	0.622	S	S	*	*			trans	-63.2	100.6	163.4	-96.7	144.9	0	0	0	105.7	Q463 Q467	Q463-L465 PolarHBondContact O-N 2.9Å; L465-Q467 PolarHBondContact O-N 3.4Å; L465-Q467 VanDerWaalsContact O-N 3.15Å
466	N	28.8	Very low	44.3	Very low	140 Å²	140	127 Å²	127	75%	0.749	65%	0.652	S	S	*	*			trans	-44.3	124	166.7	-86.4	-32.1	0	0	0	107.9	E464 M468	E464-N466 VanDerWaalsContact C-N 3.3Å; E464-N466 PolarHBondContact O-N 2.85Å; N466-M468 PolarHBondContact O-N 3.28Å
467	Q	27.9	Very low	41.6	Very low	200 Å²	200	129.9 Å²	129.9	94%	0.935	66%	0.66	S	S	*	*	S	Bend	trans	-62.8	82.2	176.2	-74.6	-179.6	-7.4	0	0	110.2	L465	L465-Q467 PolarHBondContact O-N 3.4Å; L465-Q467 VanDerWaalsContact O-N 3.15Å
468	M	28	Very low	39.1	Very low	168 Å²	168	135.7 Å²	135.7	83%	0.828	70%	0.697	S	S	*	*			trans	-149.2	75	159.2	-75.4	-168.9	-178	0	0	106.1	N466	N466-M468 PolarHBondContact O-N 3.28Å
469	D	28.9	Very low	37.5	Very low	155 Å²	155	134 Å²	134	83%	0.829	69%	0.693	S	S	*	*			trans	175.5	116.1	133	-87.1	-25.5	0	0	0	111.1	T471	D469-T471 PolarHBondContact O-N 3.47Å
470	T	28.4	Very low	36.6	Very low	144 Å²	144	136.8 Å²	136.8	88%	0.883	71%	0.714	S	S	*	*			trans	-67.8	91.8	168.8	40.8	0	0	0	0	110
471	T	31.4	Very low	37	Very low	122 Å²	122	138.5 Å²	138.5	75%	0.748	72%	0.722	S	S	*	*			trans	-151.1	117	152.7	2.6	0	0	0	0	110.3	D469 S473	D469-T471 PolarHBondContact O-N 3.47Å; T471-S473 PolarHBondContact O-N 3.03Å
472	M	28.2	Very low	38.7	Very low	189 Å²	189	139.6 Å²	139.6	93%	0.931	72%	0.723	S	S	*	*			trans	-58.9	100.1	168.4	-83.4	-179.3	12.7	0	0	109.7
473	S	27.4	Very low	40.7	Very low	78 Å²	78	134 Å²	134	55%	0.545	71%	0.707	S	S	.	*			trans	-126.1	121.8	154.9	61	0	0	0	0	107.8	T471 Q475	T471-S473 PolarHBondContact O-N 3.03Å; S473-Q475 PolarHBondContact O-N 3.25Å
474	Y	31.3	Very low	43.6	Very low	235 Å²	235	126.6 Å²	126.6	92%	0.922	67%	0.673	S	S	*	*			trans	-62.3	78.6	163.8	-79.8	-92.1	0	0	0	108.2	T476	Y474-T476 PolarHBondContact O-N 3.01Å
475	Q	27.1	Very low	46.6	Very low	153 Å²	153	119.3 Å²	119.3	72%	0.715	64%	0.64	S	S	*	*			trans	-77.7	116.5	163.7	-76.2	-171	-9.8	0	0	106.5	S473 E477	S473-Q475 PolarHBondContact O-N 3.25Å; Q475-E477 VanDerWaalsContact C-N 3.33Å; Q475-E477 PolarHBondContact O-N 2.65Å
476	T	31.5	Very low	49.9	Very low	131 Å²	131	112.6 Å²	112.6	80%	0.804	61%	0.605	S	S	*	*			trans	-58	99.8	163.4	43.9	0	0	0	0	107.4	Y474 T478	Y474-T476 PolarHBondContact O-N 3.01Å; T476-T478 PolarHBondContact O-N 2.95Å
477	E	39.2	Very low	53.2	Low	110 Å²	110	106 Å²	106	51%	0.514	57%	0.57	S	S	.	*			trans	-56.2	104.1	172.4	-77.3	-177.6	158.6	0	0	108.5	R462 Q475 T479	R462-E477 IonicContact NE-OE2 3.5Å; Q475-E477 VanDerWaalsContact C-N 3.33Å; Q475-E477 PolarHBondContact O-N 2.65Å; E477-T479 HydrophobicContact CB-CG2 4.43Å; E477-T479 PolarHBondContact O-N 3.11Å
478	T	37.9	Very low	56.6	Low	131 Å²	131	96.7 Å²	96.7	80%	0.804	53%	0.526	S	S	*	.			trans	-72	83.7	165	45.1	0	0	0	0	107.7	T476 T480	T476-T478 PolarHBondContact O-N 2.95Å; T478-T480 PolarHBondContact O-N 3.48Å; T478-T480 VanDerWaalsContact O-N 3.09Å
479	T	52.8	Low	59.9	Low	63 Å²	63	88.7 Å²	88.7	39%	0.387	49%	0.487	S	S	.	.			trans	-68.4	103.6	173.8	37.3	0	0	0	0	108.7	E477 T481	E477-T479 HydrophobicContact CB-CG2 4.43Å; E477-T479 PolarHBondContact O-N 3.11Å; T479-T481 PolarHBondContact O-N 2.84Å
480	T	58.5	Low	63.2	Low	105 Å²	105	81.3 Å²	81.3	64%	0.644	45%	0.448	S	S	*	.			trans	-67.8	103.3	167.1	48.1	0	0	0	0	107.8	T478	T478-T480 PolarHBondContact O-N 3.48Å; T478-T480 VanDerWaalsContact O-N 3.09Å
481	T	71.9	Confident	66.5	Low	82 Å²	82	74.5 Å²	74.5	50%	0.503	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	117.8	177.2	45	0	0	0	0	110	E459 T479	E459-T481 VanDerWaalsContact O-CA 3.32Å; E459-T481 WeakPolarHBondContact O-CA 3.36Å; T479-T481 PolarHBondContact O-N 2.84Å
482	T	86	Confident	69.5	Low	84 Å²	84	68.9 Å²	68.9	52%	0.515	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	123.8	174.3	-57.4	0	0	0	0	108.8	E459	E459-T482 PolarHBondContact N-O 3.1Å; E459-T482 PolarHBondContact O-N 3.01Å
483	T	92.2	Very high	72.5	Confident	47 Å²	47	61.1 Å²	61.1	29%	0.288	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	126.8	177.1	-56	0	0	0	0	110.1	N434 H458 V485	N434-T483 PolarHBondContact ND2-O 3.24Å; H458-T483 PolarHBondContact CE1-OG1 2.85Å; H458-T483 VanDerWaalsContact CE1-OG1 3.28Å; H458-T483 PolarHBondContact ND1-OG1 3.3Å; T483-V485 HydrophobicContact CG2-CG2 4.31Å
484	T	94.6	Very high	75.5	Confident	14 Å²	14	59.5 Å²	59.5	9%	0.086	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	119.4	172.7	-67.8	0	0	0	0	108.9	V418 S456 Y457 E459 F486	V418-T484 HydrophobicContact CG1-CG2 4.29Å; S456-T484 WeakPolarHBondContact CA-O 3.36Å; S456-T484 VanDerWaalsContact CB-O 3.31Å; S456-T484 WeakPolarHBondContact CB-O 3.49Å; Y457-T484 HydrophobicContact CE1-CG2 3.91Å; Y457-T484 PolarHBondContact N-O 3.48Å; Y457-T484 PolarHBondContact O-N 3.45Å; Y457-T484 VanDerWaalsContact O-N 3.1Å; E459-T484 PolarHBondContact OE1-OG1 3.45Å; T484-F486 HydrophobicContact CG2-CD1 4.16Å
485	V	97.6	Very high	78.6	Confident	14 Å²	14	48.4 Å²	48.4	9%	0.085	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	132.8	174.9	177.9	0	0	0	0	109.9	R429 N434 K438 L454 T483	R429-V485 PolarHBondContact NH1-O 2.88Å; N434-V485 HydrophobicContact CB-CB 4.01Å; N434-V485 HydrophobicContact CB-CG2 3.99Å; N434-V485 PolarHBondContact OD1-N 2.79Å; N434-V485 VanDerWaalsContact OD1-N 3.12Å; K438-V485 HydrophobicContact CG-CG1 4.25Å; L454-V485 HydrophobicContact CD1-CG1 4.39Å; L454-V485 HydrophobicContact CD2-CG1 3.92Å; T483-V485 HydrophobicContact CG2-CG2 4.31Å
486	F	98	Very high	81.9	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	158.9	-176.1	55	-88.2	0	0	0	112.3	T268 V418 C427 F428 R429 L454 S455 Y457 T484 R488	T268-F486 HydrophobicContact CG2-CE1 4.35Å; T268-F486 HydrophobicContact CG2-CE2 3.99Å; T268-F486 HydrophobicContact CG2-CZ 3.61Å; V418-F486 HydrophobicContact CG1-CB 4.27Å; V418-F486 HydrophobicContact CG2-CB 3.83Å; V418-F486 HydrophobicContact CG2-CD1 3.91Å; V418-F486 HydrophobicContact CG2-CD2 3.87Å; V418-F486 HydrophobicContact CG2-CE1 4.46Å; V418-F486 HydrophobicContact CG2-CE2 4.38Å; V418-F486 HydrophobicContact CG2-CG 3.59Å; C427-F486 HydrophobicContact CB-CD2 3.62Å; C427-F486 HydrophobicContact CB-CE2 3.86Å; C427-F486 HydrophobicContact CB-CG 4.45Å; F428-F486 WeakPolarHBondContact O-CB 3.34Å; R429-F486 HydrophobicContact CB-CB 4.17Å; L454-F486 CarbonylContact C-O 3.6Å; L454-F486 WeakPolarHBondContact CA-O 3.35Å; S455-F486 PolarHBondContact N-O 2.93Å; S455-F486 PolarHBondContact O-N 3.49Å; Y457-F486 HydrophobicContact CD1-CD1 4.29Å; Y457-F486 AromaticContact CD1-CE1 3.44Å; Y457-F486 HydrophobicContact CD1-CE1 3.44Å; Y457-F486 VanDerWaalsContact CD1-CE1 3.44Å; Y457-F486 HydrophobicContact CD1-CZ 4.1Å; Y457-F486 HydrophobicContact CE1-CD1 4.28Å; Y457-F486 AromaticContact CE1-CE1 3.85Å; Y457-F486 HydrophobicContact CE1-CE1 3.85Å; Y457-F486 HydrophobicContact CG-CE1 4.47Å; T484-F486 HydrophobicContact CG2-CD1 4.16Å; F486-R488 HydrophobicContact CD2-CG 4.15Å; F486-R488 HydrophobicContact CE2-CG 3.94Å
487	L	98.6	Very high	85.1	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	144.4	170.8	-72.6	154.6	0	0	0	109.9	C427 F428 T437 L440 H441 L452 L454	C427-L487 WeakPolarHBondContact CA-O 3.22Å; F428-L487 HydrophobicContact CD1-CB 4.02Å; F428-L487 HydrophobicContact CE1-CB 3.54Å; F428-L487 HydrophobicContact CE1-CD1 4.44Å; F428-L487 HydrophobicContact CE2-CB 4.2Å; F428-L487 HydrophobicContact CE2-CD1 3.72Å; F428-L487 HydrophobicContact CZ-CB 3.65Å; F428-L487 HydrophobicContact CZ-CD1 3.66Å; F428-L487 HydrophobicContact CZ-CG 4.26Å; F428-L487 PolarHBondContact N-O 3.22Å; F428-L487 PolarHBondContact O-N 3.33Å; T437-L487 HydrophobicContact CG2-CD1 4.46Å; T437-L487 HydrophobicContact CG2-CG 4.41Å; L440-L487 HydrophobicContact CD2-CD1 3.7Å; L440-L487 HydrophobicContact CG-CD1 4.08Å; H441-L487 HydrophobicContact CB-CD2 3.89Å; L452-L487 HydrophobicContact CB-CD2 3.96Å; L454-L487 HydrophobicContact CD2-CD2 4.03Å; L454-L487 HydrophobicContact CD2-CG 4.08Å
488	R	98.5	Very high	87.8	Confident	5 Å²	5	43.9 Å²	43.9	2%	0.019	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	129.9	173.3	-68.8	177.4	70.4	-95.6	0.5	109.9	Y84 T266 S267 L425 V453 S455 F486	Y84-R488 PolarHBondContact O-NH1 2.85Å; Y84-R488 PolarHBondContact O-NH2 3.29Å; T266-R488 PolarHBondContact O-NE 2.91Å; T266-R488 PolarHBondContact O-NH2 3.46Å; S267-R488 VanDerWaalsContact O-CD 3.31Å; S267-R488 WeakPolarHBondContact O-CD 3.25Å; S267-R488 PolarHBondContact O-NE 2.96Å; L425-R488 HydrophobicContact CD1-CB 4Å; L425-R488 HydrophobicContact CD1-CG 4.39Å; V453-R488 HydrophobicContact CG2-CB 4.31Å; V453-R488 PolarHBondContact O-N 3.39Å; S455-R488 VanDerWaalsContact CB-CD 3.48Å; F486-R488 HydrophobicContact CD2-CG 4.15Å; F486-R488 HydrophobicContact CE2-CG 3.94Å
489	F	98.6	Very high	90.7	Very high	1 Å²	1	38.4 Å²	38.4	0%	0.004	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123.7	175.3	-176.5	-80	0	0	0	110.5	H82 F405 V426 F428 L452 I500 A503 I507	H82-F489 HydrophobicContact CB-CD2 3.97Å; H82-F489 HydrophobicContact CB-CE2 4.25Å; H82-F489 HydrophobicContact CB-CG 4.37Å; H82-F489 AromaticContact CD2-CD2 3.79Å; H82-F489 AromaticContact CD2-CE2 3.27Å; H82-F489 WeakPolarHBondContact CD2-CE2 3.34Å; H82-F489 AromaticContact CD2-CZ 3.93Å; H82-F489 AromaticContact CE1-CE2 3.54Å; H82-F489 AromaticContact CE1-CZ 3.34Å; H82-F489 WeakPolarHBondContact CE1-CZ 3.48Å; H82-F489 AromaticContact CG-CD2 3.68Å; H82-F489 AromaticContact CG-CE2 3.45Å; H82-F489 VanDerWaalsContact CG-CE2 3.45Å; H82-F489 AromaticContact CG-CZ 3.9Å; H82-F489 AromaticContact ND1-CE2 3.61Å; H82-F489 AromaticContact ND1-CZ 3.54Å; H82-F489 AromaticContact NE2-CE2 3.31Å; H82-F489 VanDerWaalsContact NE2-CE2 3.31Å; H82-F489 WeakPolarHBondContact NE2-CE2 3.48Å; H82-F489 AromaticContact NE2-CZ 3.56Å; F405-F489 HydrophobicContact CB-CD1 4.37Å; F405-F489 HydrophobicContact CB-CE1 4.19Å; F405-F489 HydrophobicContact CD1-CB 3.92Å; F405-F489 AromaticContact CD1-CD1 3.51Å; F405-F489 HydrophobicContact CD1-CD1 3.51Å; F405-F489 HydrophobicContact CD1-CD2 4.12Å; F405-F489 HydrophobicContact CD1-CE1 4.04Å; F405-F489 AromaticContact CD1-CG 3.58Å; F405-F489 HydrophobicContact CD1-CG 3.58Å; F405-F489 HydrophobicContact CD2-CD1 4.48Å; F405-F489 HydrophobicContact CD2-CD2 4.41Å; F405-F489 HydrophobicContact CD2-CE1 4.27Å; F405-F489 HydrophobicContact CD2-CE2 4.17Å; F405-F489 HydrophobicContact CD2-CZ 4.1Å; F405-F489 HydrophobicContact CE1-CB 3.46Å; F405-F489 VanDerWaalsContact CE1-CB 3.46Å; F405-F489 AromaticContact CE1-CD1 3.84Å; F405-F489 HydrophobicContact CE1-CD1 3.84Å; F405-F489 AromaticContact CE1-CD2 3.65Å; F405-F489 HydrophobicContact CE1-CD2 3.65Å; F405-F489 HydrophobicContact CE1-CE2 4.34Å; F405-F489 AromaticContact CE1-CG 3.36Å; F405-F489 HydrophobicContact CE1-CG 3.36Å; F405-F489 AromaticContact CE2-CD2 3.97Å; F405-F489 HydrophobicContact CE2-CD2 3.97Å; F405-F489 AromaticContact CE2-CE2 3.93Å; F405-F489 HydrophobicContact CE2-CE2 3.93Å; F405-F489 HydrophobicContact CE2-CG 4.4Å; F405-F489 HydrophobicContact CE2-CZ 4.33Å; F405-F489 AromaticContact CG-CD1 3.87Å; F405-F489 HydrophobicContact CG-CD1 3.87Å; F405-F489 HydrophobicContact CG-CD2 4.48Å; F405-F489 AromaticContact CG-CE1 3.9Å; F405-F489 HydrophobicContact CG-CE1 3.9Å; F405-F489 HydrophobicContact CG-CE2 4.48Å; F405-F489 HydrophobicContact CG-CG 4.19Å; F405-F489 HydrophobicContact CG-CZ 4.21Å; F405-F489 HydrophobicContact CZ-CB 4.19Å; F405-F489 HydrophobicContact CZ-CD1 4.46Å; F405-F489 AromaticContact CZ-CD2 3.57Å; F405-F489 HydrophobicContact CZ-CD2 3.57Å; F405-F489 HydrophobicContact CZ-CE2 4.02Å; F405-F489 AromaticContact CZ-CG 3.82Å; F405-F489 HydrophobicContact CZ-CG 3.82Å; V426-F489 HydrophobicContact CB-CB 4.42Å; V426-F489 PolarHBondContact N-O 2.99Å; V426-F489 PolarHBondContact O-N 3.11Å; F428-F489 HydrophobicContact CE1-CB 4.13Å; L452-F489 HydrophobicContact CD2-CB 4.35Å; L452-F489 HydrophobicContact CD2-CD2 4.15Å; F489-I500 HydrophobicContact CE1-CD1 3.67Å; F489-I500 HydrophobicContact CZ-CD1 3.59Å; F489-A503 HydrophobicContact CE2-CB 3.84Å; F489-A503 HydrophobicContact CZ-CB 4.3Å; F489-I507 HydrophobicContact CD2-CD1 4.47Å
490	V	97.8	Very high	92.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	136.6	177.3	87	0	0	0	0	109.3	H82 Y85 Y294 G424 L425	H82-V490 VanDerWaalsContact CA-O 3.32Å; H82-V490 WeakPolarHBondContact CA-O 3.44Å; H82-V490 PolarHBondContact ND1-O 3.46Å; Y85-V490 HydrophobicContact CD1-CG2 4.17Å; Y294-V490 HydrophobicContact CE2-CG2 4.39Å; Y294-V490 WeakPolarHBondContact OH-CG2 3.34Å; G424-V490 VanDerWaalsContact O-CG2 3.29Å; G424-V490 WeakPolarHBondContact O-CG2 3.3Å; L425-V490 HydrophobicContact CD1-CB 4.31Å
491	S	97.2	Very high	94.8	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.007	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-78.7	155.7	173.8	40.3	0	0	0	0	112.4	H398	H398-S491 PolarHBondContact CE1-O 3.33Å; H398-S491 PolarHBondContact CE1-OG 3.1Å; H398-S491 VanDerWaalsContact CE1-OG 3.25Å; H398-S491 PolarHBondContact ND1-O 3.03Å; H398-S491 PolarHBondContact ND1-OG 3.27Å
492	I	95.4	Very high	96	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.015	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-102.3	168.8	167.8	62.9	156.9	0	0	0	110.8	F25 Q77 H78 F81 P86 G494 T495	F25-I492 HydrophobicContact CE1-CD1 4.44Å; Q77-I492 VanDerWaalsContact O-CD1 3.25Å; Q77-I492 WeakPolarHBondContact O-CD1 3.27Å; H78-I492 WeakPolarHBondContact O-CD1 3.39Å; F81-I492 HydrophobicContact CB-CG2 4.48Å; F81-I492 HydrophobicContact CD1-CG2 3.96Å; F81-I492 WeakPolarHBondContact O-CG2 3.47Å; P86-I492 HydrophobicContact CB-CB 4.45Å; P86-I492 HydrophobicContact CB-CG2 4.01Å; I492-G494 PolarHBondContact O-N 2.99Å; I492-T495 WeakPolarHBondContact CG1-OG1 3.37Å; I492-T495 PolarHBondContact N-OG1 3.18Å; I492-T495 VanDerWaalsContact N-OG1 3.14Å; I492-T495 WeakPolarHBondContact O-CB 3.19Å; I492-T495 PolarHBondContact O-N 2.9Å; I492-T495 PolarHBondContact O-OG1 3.06Å
493	H	91.2	Very high	96.6	Very high	26 Å²	26	28.6 Å²	28.6	12%	0.12	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	134.7	170.1	-59	85.8	0	0	0	111.2	F25 A88 K323 L324 L326	F25-H493 WeakPolarHBondContact CE1-O 3.43Å; A88-H493 VanDerWaalsContact CB-CE1 3.44Å; A88-H493 WeakPolarHBondContact CB-CE1 3.38Å; K323-H493 PolarHBondContact O-CE1 3.01Å; L324-H493 PolarHBondContact O-NE2 3.17Å; L326-H493 HydrophobicContact CD2-CB 4.16Å; L326-H493 WeakPolarHBondContact CD2-CD2 3.25Å
494	G	90.2	Very high	96.9	Very high	45 Å²	45	28.3 Å²	28.3	46%	0.464	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	93	-12.3	-177.6	0	0	0	0	0	114.4	I492 T496	I492-G494 PolarHBondContact O-N 2.99Å; G494-T496 PolarHBondContact O-N 2.82Å
495	T	95.8	Very high	97.1	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.012	17%	0.172	C	C	.	.			trans	-59.1	136.7	171.1	-48.1	0	0	0	0	110	L401 I492 D499 I500	L401-T495 HydrophobicContact CD1-CG2 4.07Å; L401-T495 WeakPolarHBondContact CD1-O 3.22Å; I492-T495 WeakPolarHBondContact CG1-OG1 3.37Å; I492-T495 PolarHBondContact N-OG1 3.18Å; I492-T495 VanDerWaalsContact N-OG1 3.14Å; I492-T495 WeakPolarHBondContact O-CB 3.19Å; I492-T495 PolarHBondContact O-N 2.9Å; I492-T495 PolarHBondContact O-OG1 3.06Å; T495-D499 HydrophobicContact CG2-CB 3.83Å; T495-I500 HydrophobicContact CG2-CD1 3.98Å; T495-I500 HydrophobicContact CG2-CG1 4.49Å
496	T	96.7	Very high	97.1	Very high	64 Å²	64	36.3 Å²	36.3	39%	0.393	18%	0.179	S	C	.	.			trans	-113.9	168.4	178.7	73.9	0	0	0	0	111.7	L401 G494 K498 D499 I500	L401-T496 VanDerWaalsContact CD2-C 3.44Å; G494-T496 PolarHBondContact O-N 2.82Å; T496-K498 PolarHBondContact O-N 3.22Å; T496-K498 PolarHBondContact OG1-N 3.06Å; T496-D499 WeakPolarHBondContact CA-OD2 3.35Å; T496-D499 VanDerWaalsContact CB-OD2 3.3Å; T496-D499 WeakPolarHBondContact CB-OD2 3.46Å; T496-D499 PolarHBondContact N-OD2 3.29Å; T496-D499 WeakPolarHBondContact O-CB 3.46Å; T496-D499 PolarHBondContact O-N 3.15Å; T496-D499 PolarHBondContact OG1-N 2.87Å; T496-D499 PolarHBondContact OG1-OD2 2.98Å; T496-I500 PolarHBondContact O-N 3.01Å
497	M	97.6	Very high	97.1	Very high	70 Å²	70	36.3 Å²	36.3	35%	0.345	18%	0.179	S	C	.	.	H	α-helix	trans	-57.1	-31.8	173.9	-70.7	-66.8	179.1	0	0	112.9	L397 D400 L401 K404 I500 D501	L397-M497 HydrophobicContact CD1-CE 4.32Å; D400-M497 HydrophobicContact CB-CE 3.75Å; L401-M497 HydrophobicContact CD2-CE 4.16Å; L401-M497 HydrophobicContact CD2-CG 4.13Å; L401-M497 HydrophobicContact CD2-SD 3.69Å; K404-M497 HydrophobicContact CB-SD 4.13Å; K404-M497 HydrophobicContact CD-CB 4.38Å; K404-M497 HydrophobicContact CD-CG 4.49Å; K404-M497 HydrophobicContact CD-SD 3.32Å; K404-M497 WeakPolarHBondContact CD-SD 3.49Å; K404-M497 HydrophobicContact CG-SD 4.34Å; K404-M497 PolarHBondContact NZ-O 2.63Å; M497-I500 PolarHBondContact O-N 2.96Å; M497-D501 PolarHBondContact O-N 2.91Å
498	K	97.5	Very high	97.1	Very high	165 Å²	165	36.8 Å²	36.8	72%	0.717	18%	0.184	S	C	*	.	H	α-helix	trans	-71.9	-33.2	177.4	-68.8	-178.3	179.6	178.1	0	111.9	T496 I500 D501 Y502	T496-K498 PolarHBondContact O-N 3.22Å; T496-K498 PolarHBondContact OG1-N 3.06Å; K498-I500 VanDerWaalsContact C-N 3.32Å; K498-D501 PolarHBondContact O-N 3.36Å; K498-Y502 PolarHBondContact O-N 3.38Å
499	D	97.8	Very high	97.1	Very high	16 Å²	16	39.3 Å²	39.3	9%	0.086	20%	0.202	C	C	.	.	H	α-helix	trans	-66.8	-37.3	176.2	-58.5	-55.6	0	0	0	111	R27 P79 T495 T496 D501 Y502 A503	R27-D499 IonicContact CZ-OD1 2.7Å; R27-D499 VanDerWaalsContact CZ-OD1 3.24Å; R27-D499 IonicContact NH1-OD1 2.81Å; R27-D499 PolarHBondContact NH1-OD1 3.42Å; R27-D499 IonicContact NH2-OD1 3.59Å; R27-D499 PolarHBondContact NH2-OD1 3.14Å; P79-D499 HydrophobicContact CB-CB 4.22Å; T495-D499 HydrophobicContact CG2-CB 3.83Å; T496-D499 WeakPolarHBondContact CA-OD2 3.35Å; T496-D499 VanDerWaalsContact CB-OD2 3.3Å; T496-D499 WeakPolarHBondContact CB-OD2 3.46Å; T496-D499 PolarHBondContact N-OD2 3.29Å; T496-D499 WeakPolarHBondContact O-CB 3.46Å; T496-D499 PolarHBondContact O-N 3.15Å; T496-D499 PolarHBondContact OG1-N 2.87Å; T496-D499 PolarHBondContact OG1-OD2 2.98Å; D499-D501 VanDerWaalsContact C-N 3.34Å; D499-D501 PolarHBondContact O-N 3.37Å; D499-Y502 WeakPolarHBondContact O-CB 3.46Å; D499-Y502 PolarHBondContact O-N 2.77Å; D499-A503 WeakPolarHBondContact O-CB 3.32Å; D499-A503 PolarHBondContact O-N 3Å
500	I	98.6	Very high	97	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.2	-42.9	172.5	-58.3	-56.4	0	0	0	111.6	L401 K404 F405 L408 F489 T495 T496 M497 K498 Y502 A503 Y504	L401-I500 HydrophobicContact CB-CD1 4.06Å; L401-I500 HydrophobicContact CB-CG1 4.02Å; L401-I500 HydrophobicContact CD2-CD1 4.28Å; L401-I500 HydrophobicContact CD2-CG1 3.52Å; L401-I500 HydrophobicContact CG-CG1 4.29Å; K404-I500 HydrophobicContact CB-CG2 4.41Å; K404-I500 HydrophobicContact CD-CB 4.36Å; K404-I500 HydrophobicContact CD-CG2 4.17Å; K404-I500 HydrophobicContact CG-CG2 4.04Å; F405-I500 HydrophobicContact CB-CG2 3.74Å; F405-I500 HydrophobicContact CD2-CG2 4Å; F405-I500 HydrophobicContact CG-CG2 4.35Å; L408-I500 HydrophobicContact CD1-CG2 4.08Å; F489-I500 HydrophobicContact CE1-CD1 3.67Å; F489-I500 HydrophobicContact CZ-CD1 3.59Å; T495-I500 HydrophobicContact CG2-CD1 3.98Å; T495-I500 HydrophobicContact CG2-CG1 4.49Å; T496-I500 PolarHBondContact O-N 3.01Å; M497-I500 PolarHBondContact O-N 2.96Å; K498-I500 VanDerWaalsContact C-N 3.32Å; I500-Y502 VanDerWaalsContact C-N 3.32Å; I500-Y502 PolarHBondContact O-N 3.21Å; I500-A503 PolarHBondContact O-N 2.87Å; I500-Y504 WeakPolarHBondContact O-CB 3.5Å; I500-Y504 PolarHBondContact O-N 3.35Å
501	D	98.4	Very high	97	Very high	51 Å²	51	39.4 Å²	39.4	27%	0.273	20%	0.203	S	C	.	.	H	α-helix	trans	-63.5	-40.4	176.1	-64	-39.6	0	0	0	111.6	K404 M497 K498 D499 K505	K404-D501 WeakPolarHBondContact CE-OD1 3.2Å; K404-D501 IonicContact NZ-OD1 3.75Å; K404-D501 PolarHBondContact NZ-OD1 2.99Å; K404-D501 IonicContact NZ-OD2 3.19Å; K404-D501 PolarHBondContact NZ-OD2 3.45Å; M497-D501 PolarHBondContact O-N 2.91Å; K498-D501 PolarHBondContact O-N 3.36Å; D499-D501 VanDerWaalsContact C-N 3.34Å; D499-D501 PolarHBondContact O-N 3.37Å; D501-K505 WeakPolarHBondContact O-CB 3.44Å; D501-K505 VanDerWaalsContact O-CG 3.24Å; D501-K505 WeakPolarHBondContact O-CG 3.46Å; D501-K505 PolarHBondContact O-N 3.21Å
502	Y	97.9	Very high	97	Very high	76 Å²	76	42 Å²	42	30%	0.298	22%	0.219	S	C	.	.	H	α-helix	trans	-62.7	-51.8	176.7	177.8	-91.7	0	0	0	111.1	D80 L450 K498 D499 I500 Y504 K505 K506	D80-Y502 WeakPolarHBondContact OD1-CD1 3.44Å; D80-Y502 WeakPolarHBondContact OD2-CE1 3.38Å; L450-Y502 HydrophobicContact CD2-CE1 4.44Å; K498-Y502 PolarHBondContact O-N 3.38Å; D499-Y502 WeakPolarHBondContact O-CB 3.46Å; D499-Y502 PolarHBondContact O-N 2.77Å; I500-Y502 VanDerWaalsContact C-N 3.32Å; I500-Y502 PolarHBondContact O-N 3.21Å; Y502-Y504 PolarHBondContact O-N 3.5Å; Y502-K505 PolarHBondContact O-N 3.26Å; Y502-K505 VanDerWaalsContact O-N 3.15Å; Y502-K506 HydrophobicContact CD1-CG 4.34Å; Y502-K506 HydrophobicContact CE1-CG 3.93Å; Y502-K506 VanDerWaalsContact CZ-CE 3.45Å; Y502-K506 WeakPolarHBondContact O-CG 3.32Å; Y502-K506 PolarHBondContact O-N 3.17Å; Y502-K506 VanDerWaalsContact O-N 3.09Å; Y502-K506 WeakPolarHBondContact OH-CE 3.43Å
503	A	98.3	Very high	97.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62	-43.6	-178.6	0	0	0	0	0	111.9	L450 F489 D499 I500 K505 K506 I507	L450-A503 HydrophobicContact CD1-CB 4.23Å; L450-A503 HydrophobicContact CD2-CB 3.88Å; F489-A503 HydrophobicContact CE2-CB 3.84Å; F489-A503 HydrophobicContact CZ-CB 4.3Å; D499-A503 WeakPolarHBondContact O-CB 3.32Å; D499-A503 PolarHBondContact O-N 3Å; I500-A503 PolarHBondContact O-N 2.87Å; A503-K505 PolarHBondContact O-N 2.97Å; A503-K506 PolarHBondContact O-N 3.01Å; A503-I507 WeakPolarHBondContact O-CG1 3.42Å; A503-I507 PolarHBondContact O-N 3.49Å
504	Y	98.6	Very high	97.4	Very high	42 Å²	42	44.4 Å²	44.4	17%	0.165	23%	0.23	C	C	.	.	H	α-helix	trans	-57.7	-47.2	173.2	166.5	-103.4	0	0	0	112.1	L408 L409 D412 I500 Y502 K506 I507 A508	L408-Y504 HydrophobicContact CB-CD1 4.25Å; L408-Y504 HydrophobicContact CB-CD2 3.74Å; L408-Y504 HydrophobicContact CB-CE1 4.45Å; L408-Y504 HydrophobicContact CB-CE2 3.95Å; L408-Y504 HydrophobicContact CB-CG 3.88Å; L408-Y504 HydrophobicContact CD1-CD1 4.1Å; L408-Y504 HydrophobicContact CD1-CG 3.89Å; L408-Y504 HydrophobicContact CD2-CD1 4.23Å; L408-Y504 HydrophobicContact CD2-CE1 4.32Å; L408-Y504 HydrophobicContact CG-CD1 4.44Å; L408-Y504 HydrophobicContact CG-CG 4.36Å; L409-Y504 HydrophobicContact CD2-CD2 4.26Å; L409-Y504 HydrophobicContact CD2-CE2 4.43Å; D412-Y504 HydrophobicContact CB-CE2 4.13Å; D412-Y504 WeakPolarHBondContact CB-OH 3.25Å; D412-Y504 PolarHBondContact OD2-OH 3.32Å; I500-Y504 WeakPolarHBondContact O-CB 3.5Å; I500-Y504 PolarHBondContact O-N 3.35Å; Y502-Y504 PolarHBondContact O-N 3.5Å; Y504-K506 VanDerWaalsContact C-N 3.29Å; Y504-K506 PolarHBondContact O-N 2.93Å; Y504-I507 PolarHBondContact O-N 3.49Å; Y504-A508 HydrophobicContact CE1-CB 4.46Å; Y504-A508 HydrophobicContact CE2-CB 4.26Å; Y504-A508 VanDerWaalsContact O-CB 3.26Å; Y504-A508 WeakPolarHBondContact O-CB 3.22Å; Y504-A508 PolarHBondContact O-N 2.84Å
505	K	98.4	Very high	97.6	Very high	142 Å²	142	42.9 Å²	42.9	62%	0.617	21%	0.211	S	C	*	.	H	α-helix	trans	-58.4	-40.4	179	-76.8	171.3	-177.6	179.8	0	112.5	D501 Y502 A503 S509	D501-K505 WeakPolarHBondContact O-CB 3.44Å; D501-K505 VanDerWaalsContact O-CG 3.24Å; D501-K505 WeakPolarHBondContact O-CG 3.46Å; D501-K505 PolarHBondContact O-N 3.21Å; Y502-K505 PolarHBondContact O-N 3.26Å; Y502-K505 VanDerWaalsContact O-N 3.15Å; A503-K505 PolarHBondContact O-N 2.97Å; K505-S509 WeakPolarHBondContact O-CB 3.41Å; K505-S509 PolarHBondContact O-N 3.07Å
506	K	97.9	Very high	97.6	Very high	53 Å²	53	46.8 Å²	46.8	23%	0.23	23%	0.232	C	C	.	.	H	α-helix	trans	-66	-44.4	176.7	-65.3	-54.5	-165.4	155.7	0	112.1	E449 L450 Y502 A503 Y504 S509 C510	E449-K506 WeakPolarHBondContact OE1-CE 3.15Å; E449-K506 IonicContact OE1-NZ 2.76Å; E449-K506 PolarHBondContact OE1-NZ 2.97Å; E449-K506 VanDerWaalsContact OE2-CD 3.31Å; E449-K506 WeakPolarHBondContact OE2-CD 3.34Å; E449-K506 VanDerWaalsContact OE2-CE 3.29Å; E449-K506 WeakPolarHBondContact OE2-CE 3.25Å; E449-K506 IonicContact OE2-NZ 3.22Å; E449-K506 PolarHBondContact OE2-NZ 2.88Å; L450-K506 HydrophobicContact CD1-CB 3.81Å; L450-K506 HydrophobicContact CG-CB 4.19Å; Y502-K506 HydrophobicContact CD1-CG 4.34Å; Y502-K506 HydrophobicContact CE1-CG 3.93Å; Y502-K506 VanDerWaalsContact CZ-CE 3.45Å; Y502-K506 WeakPolarHBondContact O-CG 3.32Å; Y502-K506 PolarHBondContact O-N 3.17Å; Y502-K506 VanDerWaalsContact O-N 3.09Å; Y502-K506 WeakPolarHBondContact OH-CE 3.43Å; A503-K506 PolarHBondContact O-N 3.01Å; Y504-K506 VanDerWaalsContact C-N 3.29Å; Y504-K506 PolarHBondContact O-N 2.93Å; K506-S509 PolarHBondContact O-N 3.17Å; K506-C510 PolarHBondContact O-N 3.43Å; K506-C510 VanDerWaalsContact O-N 3.09Å; K506-C510 PolarHBondContact O-SG 2.88Å
507	I	98.5	Very high	97.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.6	-47.9	175.4	-68.6	164.4	0	0	0	111	F405 F415 F428 L444 L450 L452 F489 A503 Y504 S509 C510 A511	F405-I507 HydrophobicContact CE2-CD1 3.98Å; F405-I507 HydrophobicContact CZ-CD1 3.67Å; F415-I507 HydrophobicContact CE1-CG2 3.98Å; F415-I507 HydrophobicContact CZ-CG2 3.76Å; F428-I507 HydrophobicContact CE2-CG2 3.81Å; F428-I507 HydrophobicContact CZ-CD1 3.97Å; F428-I507 HydrophobicContact CZ-CG2 4.07Å; L444-I507 HydrophobicContact CD1-CG1 4.22Å; L444-I507 HydrophobicContact CD2-CG1 4.3Å; L450-I507 HydrophobicContact CD1-CD1 4.03Å; L450-I507 HydrophobicContact CD1-CG1 3.65Å; L452-I507 HydrophobicContact CD2-CD1 4.24Å; F489-I507 HydrophobicContact CD2-CD1 4.47Å; A503-I507 WeakPolarHBondContact O-CG1 3.42Å; A503-I507 PolarHBondContact O-N 3.49Å; Y504-I507 PolarHBondContact O-N 3.49Å; I507-S509 VanDerWaalsContact C-N 3.33Å; I507-S509 PolarHBondContact O-N 3.38Å; I507-C510 PolarHBondContact O-N 2.97Å; I507-A511 WeakPolarHBondContact O-CB 3.44Å; I507-A511 PolarHBondContact O-N 3.47Å
508	A	98.2	Very high	97.2	Very high	11 Å²	11	48 Å²	48	9%	0.091	23%	0.231	C	C	.	.	H	α-helix	trans	-61.9	-38.8	179.8	0	0	0	0	0	112.4	R414 Y504 A511 T512	R414-A508 PolarHBondContact NH1-O 3.45Å; R414-A508 PolarHBondContact NH2-O 2.57Å; R414-A508 VanDerWaalsContact NH2-O 3.12Å; Y504-A508 HydrophobicContact CE1-CB 4.46Å; Y504-A508 HydrophobicContact CE2-CB 4.26Å; Y504-A508 VanDerWaalsContact O-CB 3.26Å; Y504-A508 WeakPolarHBondContact O-CB 3.22Å; Y504-A508 PolarHBondContact O-N 2.84Å; A508-A511 PolarHBondContact O-N 3.27Å; A508-T512 PolarHBondContact O-N 3.43Å; A508-T512 PolarHBondContact O-OG1 3.18Å; A508-T512 VanDerWaalsContact O-OG1 3.07Å
509	S	98	Very high	96.9	Very high	58 Å²	58	43.8 Å²	43.8	41%	0.406	22%	0.217	S	C	.	.	H	α-helix	trans	-65.9	-49.9	176.2	-172.9	0	0	0	0	111.8	K505 K506 I507 A511 T512 E513	K505-S509 WeakPolarHBondContact O-CB 3.41Å; K505-S509 PolarHBondContact O-N 3.07Å; K506-S509 PolarHBondContact O-N 3.17Å; I507-S509 VanDerWaalsContact C-N 3.33Å; I507-S509 PolarHBondContact O-N 3.38Å; S509-A511 VanDerWaalsContact C-N 3.26Å; S509-A511 PolarHBondContact O-N 2.87Å; S509-T512 WeakPolarHBondContact O-CB 3.47Å; S509-T512 PolarHBondContact O-N 2.83Å; S509-T512 VanDerWaalsContact O-N 3.11Å; S509-E513 PolarHBondContact O-N 3.35Å; S509-E513 VanDerWaalsContact O-N 3.15Å
510	C	97.5	Very high	96.5	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.014	25%	0.245	C	C	.	.	H	α-helix	trans	-61.6	-35.3	175.5	-68.6	0	0	0	0	112.2	L440 L444 K447 K506 I507 E513 I514	L440-C510 HydrophobicContact CD1-CB 3.59Å; L444-C510 HydrophobicContact CD2-CB 4.06Å; L444-C510 HydrophobicContact CG-CB 4.23Å; K447-C510 PolarHBondContact NZ-SG 3.29Å; K506-C510 PolarHBondContact O-N 3.43Å; K506-C510 VanDerWaalsContact O-N 3.09Å; K506-C510 PolarHBondContact O-SG 2.88Å; I507-C510 PolarHBondContact O-N 2.97Å; C510-E513 PolarHBondContact O-N 2.98Å; C510-I514 WeakPolarHBondContact O-CG1 3.39Å; C510-I514 PolarHBondContact O-N 3.38Å; C510-I514 VanDerWaalsContact O-N 3.12Å
511	A	97.8	Very high	96	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.6	-39.3	174.9	0	0	0	0	0	112.1	F415 L430 L440 I507 A508 S509 I514 L515	F415-A511 HydrophobicContact CE1-CB 4.03Å; F415-A511 HydrophobicContact CE2-CB 4.43Å; F415-A511 HydrophobicContact CZ-CB 3.51Å; L430-A511 HydrophobicContact CD2-CB 4.07Å; L440-A511 HydrophobicContact CD1-CB 4.31Å; I507-A511 WeakPolarHBondContact O-CB 3.44Å; I507-A511 PolarHBondContact O-N 3.47Å; A508-A511 PolarHBondContact O-N 3.27Å; S509-A511 VanDerWaalsContact C-N 3.26Å; S509-A511 PolarHBondContact O-N 2.87Å; A511-I514 PolarHBondContact O-N 3.22Å; A511-L515 WeakPolarHBondContact O-CB 3.37Å; A511-L515 WeakPolarHBondContact O-CG 3.26Å; A511-L515 PolarHBondContact O-N 3.48Å
512	T	97.7	Very high	95.3	Very high	56 Å²	56	58.9 Å²	58.9	34%	0.344	29%	0.292	S	S	.	.	H	α-helix	trans	-57.9	-52.3	173.2	-56.4	0	0	0	0	110.7	R414 A508 S509 I514 L515 D516	R414-T512 PolarHBondContact NH1-OG1 3.45Å; A508-T512 PolarHBondContact O-N 3.43Å; A508-T512 PolarHBondContact O-OG1 3.18Å; A508-T512 VanDerWaalsContact O-OG1 3.07Å; S509-T512 WeakPolarHBondContact O-CB 3.47Å; S509-T512 PolarHBondContact O-N 2.83Å; S509-T512 VanDerWaalsContact O-N 3.11Å; T512-I514 VanDerWaalsContact C-N 3.31Å; T512-I514 PolarHBondContact O-N 2.99Å; T512-L515 PolarHBondContact O-N 3.07Å; T512-L515 VanDerWaalsContact O-N 3.16Å; T512-D516 VanDerWaalsContact CG2-OD2 3.31Å; T512-D516 WeakPolarHBondContact CG2-OD2 3.5Å; T512-D516 WeakPolarHBondContact O-CB 3.31Å; T512-D516 VanDerWaalsContact O-CG 3.24Å; T512-D516 PolarHBondContact O-N 3.24Å
513	E	96.6	Very high	94.2	Very high	68 Å²	68	64.5 Å²	64.5	32%	0.318	33%	0.327	S	S	.	.	H	α-helix	trans	-55.3	-43.9	-179.9	-66.7	168.5	-168.2	0	0	112.6	N443 K447 S509 C510 Q517	N443-E513 PolarHBondContact ND2-OE2 3.09Å; K447-E513 IonicContact NZ-OE1 2.68Å; K447-E513 PolarHBondContact NZ-OE1 3.46Å; K447-E513 IonicContact NZ-OE2 3.18Å; K447-E513 PolarHBondContact NZ-OE2 2.9Å; S509-E513 PolarHBondContact O-N 3.35Å; S509-E513 VanDerWaalsContact O-N 3.15Å; C510-E513 PolarHBondContact O-N 2.98Å; E513-Q517 VanDerWaalsContact O-CG 3.26Å; E513-Q517 WeakPolarHBondContact O-CG 3.43Å; E513-Q517 PolarHBondContact O-N 2.76Å
514	I	96.5	Very high	94	Very high	11 Å²	11	67.7 Å²	67.7	6%	0.056	34%	0.344	C	S	.	.	H	α-helix	trans	-70.6	-38.6	-179.3	-66.1	-55.1	0	0	0	112.1	L430 L436 K439 N443 C510 A511 T512 F518	L430-I514 HydrophobicContact CD1-CG2 4.49Å; L436-I514 HydrophobicContact CB-CG2 4.47Å; L436-I514 HydrophobicContact CD2-CG2 4.11Å; K439-I514 HydrophobicContact CB-CD1 4.06Å; K439-I514 HydrophobicContact CB-CG2 4.18Å; N443-I514 HydrophobicContact CB-CD1 4.33Å; C510-I514 WeakPolarHBondContact O-CG1 3.39Å; C510-I514 PolarHBondContact O-N 3.38Å; C510-I514 VanDerWaalsContact O-N 3.12Å; A511-I514 PolarHBondContact O-N 3.22Å; T512-I514 VanDerWaalsContact C-N 3.31Å; T512-I514 PolarHBondContact O-N 2.99Å; I514-F518 WeakPolarHBondContact O-CB 3.4Å; I514-F518 PolarHBondContact O-N 2.8Å
515	L	96	Very high	93.7	Very high	14 Å²	14	69.1 Å²	69.1	7%	0.073	35%	0.353	C	S	.	.	H	α-helix	trans	-75.3	-36.3	-178.5	-67.3	173.6	0	0	0	112.1	R414 L430 H432 L436 A511 T512 F518 N519	R414-L515 HydrophobicContact CB-CD1 4.24Å; R414-L515 HydrophobicContact CG-CD1 4.17Å; L430-L515 HydrophobicContact CD1-CD2 4.42Å; L430-L515 HydrophobicContact CD2-CD1 4.31Å; H432-L515 WeakPolarHBondContact CD2-CD2 3.45Å; H432-L515 WeakPolarHBondContact NE2-CD2 3.34Å; L436-L515 HydrophobicContact CD1-CD2 4.1Å; A511-L515 WeakPolarHBondContact O-CB 3.37Å; A511-L515 WeakPolarHBondContact O-CG 3.26Å; A511-L515 PolarHBondContact O-N 3.48Å; T512-L515 PolarHBondContact O-N 3.07Å; T512-L515 VanDerWaalsContact O-N 3.16Å; L515-F518 PolarHBondContact O-N 2.79Å; L515-N519 WeakPolarHBondContact O-CB 3.29Å; L515-N519 PolarHBondContact O-N 3.23Å; L515-N519 PolarHBondContact O-ND2 3.13Å
516	D	95.1	Very high	93.5	Very high	83 Å²	83	65 Å²	65	44%	0.444	34%	0.338	S	S	.	.	H	α-helix	trans	-62.1	-47.7	174.8	-68.3	-14.3	0	0	0	110.1	T512 F518 N519 E520	T512-D516 VanDerWaalsContact CG2-OD2 3.31Å; T512-D516 WeakPolarHBondContact CG2-OD2 3.5Å; T512-D516 WeakPolarHBondContact O-CB 3.31Å; T512-D516 VanDerWaalsContact O-CG 3.24Å; T512-D516 PolarHBondContact O-N 3.24Å; D516-F518 VanDerWaalsContact C-N 3.29Å; D516-F518 PolarHBondContact O-N 2.8Å; D516-N519 PolarHBondContact O-N 3.17Å; D516-E520 WeakPolarHBondContact O-CG 3.44Å; D516-E520 PolarHBondContact O-N 3.27Å
517	Q	92.8	Very high	93.2	Very high	106 Å²	106	65.7 Å²	65.7	50%	0.495	35%	0.345	S	S	.	.	H	α-helix	trans	-59.2	-38.2	173.8	-72	173.8	7.7	0	0	112.9	E513 L521	E513-Q517 VanDerWaalsContact O-CG 3.26Å; E513-Q517 WeakPolarHBondContact O-CG 3.43Å; E513-Q517 PolarHBondContact O-N 2.76Å; Q517-L521 WeakPolarHBondContact O-CD1 3.35Å; Q517-L521 WeakPolarHBondContact O-CG 2.98Å; Q517-L521 PolarHBondContact O-N 3.27Å
518	F	92.6	Very high	92.9	Very high	53 Å²	53	69.8 Å²	69.8	23%	0.232	37%	0.366	C	S	.	.	H	α-helix	trans	-69.4	-39.1	177.7	177.9	-104.9	0	0	0	112.2	L436 I514 L515 D516 L521 N522	L436-F518 HydrophobicContact CD1-CB 4.15Å; L436-F518 HydrophobicContact CD1-CD1 3.84Å; L436-F518 HydrophobicContact CD1-CD2 3.88Å; L436-F518 HydrophobicContact CD1-CE1 4.16Å; L436-F518 HydrophobicContact CD1-CE2 4.2Å; L436-F518 HydrophobicContact CD1-CG 3.67Å; L436-F518 HydrophobicContact CD1-CZ 4.32Å; L436-F518 HydrophobicContact CD2-CB 4.16Å; L436-F518 HydrophobicContact CD2-CD2 3.81Å; L436-F518 HydrophobicContact CD2-CE2 4.47Å; L436-F518 HydrophobicContact CD2-CG 4.1Å; L436-F518 HydrophobicContact CG-CD2 4.31Å; L436-F518 HydrophobicContact CG-CG 4.5Å; I514-F518 WeakPolarHBondContact O-CB 3.4Å; I514-F518 PolarHBondContact O-N 2.8Å; L515-F518 PolarHBondContact O-N 2.79Å; D516-F518 VanDerWaalsContact C-N 3.29Å; D516-F518 PolarHBondContact O-N 2.8Å; F518-L521 PolarHBondContact O-N 3.29Å; F518-N522 WeakPolarHBondContact CE1-ND2 2.98Å; F518-N522 WeakPolarHBondContact CE2-ND2 3.42Å; F518-N522 WeakPolarHBondContact CZ-ND2 3.47Å; F518-N522 PolarHBondContact O-N 2.77Å; F518-N522 PolarHBondContact O-ND2 3.22Å
519	N	90.8	Very high	92.5	Very high	77 Å²	77	73.7 Å²	73.7	41%	0.412	39%	0.385	S	S	.	.	H	α-helix	trans	-70.4	-38.4	178.2	-68.6	-28	0	0	0	111.5	L515 D516 L521 N522 N523	L515-N519 WeakPolarHBondContact O-CB 3.29Å; L515-N519 PolarHBondContact O-N 3.23Å; L515-N519 PolarHBondContact O-ND2 3.13Å; D516-N519 PolarHBondContact O-N 3.17Å; N519-L521 VanDerWaalsContact C-N 3.29Å; N519-L521 PolarHBondContact O-N 3.44Å; N519-N522 PolarHBondContact O-N 2.92Å; N519-N523 PolarHBondContact O-N 2.97Å; N519-N523 VanDerWaalsContact O-N 3.12Å; N519-N523 PolarHBondContact O-ND2 3.06Å
520	E	91.4	Very high	92.2	Very high	145 Å²	145	74.9 Å²	74.9	68%	0.678	38%	0.383	S	S	*	.	H	α-helix	trans	-62.3	-32.9	174.3	-74.8	177.9	-179.8	0	0	113.1	D516	D516-E520 WeakPolarHBondContact O-CG 3.44Å; D516-E520 PolarHBondContact O-N 3.27Å
521	L	87.3	Confident	91.7	Very high	135 Å²	135	80.5 Å²	80.5	71%	0.707	41%	0.412	S	S	*	.	H	α-helix	trans	-79.2	-18.9	178.1	-74.6	166.5	0	0	0	114	Q517 F518 N519	Q517-L521 WeakPolarHBondContact O-CD1 3.35Å; Q517-L521 WeakPolarHBondContact O-CG 2.98Å; Q517-L521 PolarHBondContact O-N 3.27Å; F518-L521 PolarHBondContact O-N 3.29Å; N519-L521 VanDerWaalsContact C-N 3.29Å; N519-L521 PolarHBondContact O-N 3.44Å
522	N	84.1	Confident	91.2	Very high	104 Å²	104	87.2 Å²	87.2	56%	0.556	45%	0.446	S	S	*	.	H	α-helix	trans	-102.7	-10.2	-178.9	-69.9	-51.7	0	0	0	113.6	F518 N519	F518-N522 WeakPolarHBondContact CE1-ND2 2.98Å; F518-N522 WeakPolarHBondContact CE2-ND2 3.42Å; F518-N522 WeakPolarHBondContact CZ-ND2 3.47Å; F518-N522 PolarHBondContact O-N 2.77Å; F518-N522 PolarHBondContact O-ND2 3.22Å; N519-N522 PolarHBondContact O-N 2.92Å
523	N	74	Confident	90.7	Very high	194 Å²	194	90 Å²	90	100%	1.037	46%	0.455	S	S	*	.			trans	-88.8	0	167.1	-70.4	-32.1	0	0	0	109.6	N519	N519-N523 PolarHBondContact O-N 2.97Å; N519-N523 VanDerWaalsContact O-N 3.12Å; N519-N523 PolarHBondContact O-ND2 3.06Å

Retrieved 523 of 523 residues in 965 ms (Link to these results)

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