A0A061AE46_CAEEL Loading...

Zmiz1 N-terminal tetratricopeptide repeat domain-containing protein

AlphaFold DB , UniProt , Accession A0A061AE46, Species CAEEL (Caenorhabditis elegans), Gene miz-1, Length 787 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.8	Very low	72.4	Confident	250 Å²	250	99.8 Å²	99.8	100%	1.232	57%	0.572	S	S	*	*				0	134.7	0	-68.3	159.6	175.9	0	0	107.2
2	A	46.5	Very low	74	Confident	79 Å²	79	99 Å²	99	65%	0.653	57%	0.57	S	S	*	*			trans	-85.4	144.7	167.8	0	0	0	0	0	108.6
3	D	49.2	Very low	75.5	Confident	99 Å²	99	93 Å²	93	53%	0.529	54%	0.536	S	S	.	.			trans	-62.5	130.1	174.7	-153.7	-57.7	0	0	0	109	T5 F6	D3-T5 VanDerWaalsContact CG-OG1 3.25Å; D3-T5 PolarHBondContact O-N 3.35Å; D3-T5 VanDerWaalsContact O-N 3.15Å; D3-T5 PolarHBondContact OD1-OG1 2.72Å; D3-F6 HydrophobicContact CB-CB 4.5Å; D3-F6 WeakPolarHBondContact O-CB 3.47Å; D3-F6 PolarHBondContact O-N 3.27Å
4	P	60.9	Low	76.9	Confident	102 Å²	102	88.2 Å²	88.2	66%	0.662	51%	0.508	S	S	*	.	H	α-helix	trans	-56.9	-32.4	-177.9	21.2	-33	0	0	0	112.4	F6 A7 E8	P4-F6 PolarHBondContact O-N 3.09Å; P4-A7 PolarHBondContact O-N 2.67Å; P4-E8 PolarHBondContact O-N 3.21Å; P4-E8 VanDerWaalsContact O-N 3.16Å
5	T	76.7	Confident	78.1	Confident	89 Å²	89	87.9 Å²	87.9	55%	0.546	51%	0.513	S	S	.	.	H	α-helix	trans	-57.9	-32.8	173.8	60	0	0	0	0	113.3	D3 H9	D3-T5 VanDerWaalsContact CG-OG1 3.25Å; D3-T5 PolarHBondContact O-N 3.35Å; D3-T5 VanDerWaalsContact O-N 3.15Å; D3-T5 PolarHBondContact OD1-OG1 2.72Å; T5-H9 VanDerWaalsContact O-CB 3.31Å; T5-H9 WeakPolarHBondContact O-CB 3.29Å; T5-H9 PolarHBondContact O-N 3.12Å
6	F	83.1	Confident	79.2	Confident	97 Å²	97	89.3 Å²	89.3	43%	0.425	51%	0.507	S	S	.	.	H	α-helix	trans	-73.8	-38.4	177.9	-179.7	-99.2	0	0	0	112.1	D3 P4 H9 V10 H50	D3-F6 HydrophobicContact CB-CB 4.5Å; D3-F6 WeakPolarHBondContact O-CB 3.47Å; D3-F6 PolarHBondContact O-N 3.27Å; P4-F6 PolarHBondContact O-N 3.09Å; F6-H9 PolarHBondContact O-N 3.34Å; F6-V10 HydrophobicContact CD1-CG2 4.23Å; F6-V10 HydrophobicContact CE1-CG2 3.78Å; F6-V10 HydrophobicContact CE2-CG2 4.24Å; F6-V10 HydrophobicContact CZ-CG2 3.79Å; F6-V10 WeakPolarHBondContact O-CG2 3.33Å; F6-V10 PolarHBondContact O-N 3.4Å; F6-H50 AromaticContact CZ-CD2 3.99Å
7	A	81.8	Confident	80.1	Confident	61 Å²	61	84.3 Å²	84.3	50%	0.504	48%	0.478	S	S	.	.	H	α-helix	trans	-65.1	-43.6	177	0	0	0	0	0	111.2	P4 V10 A11	P4-A7 PolarHBondContact O-N 2.67Å; A7-V10 PolarHBondContact O-N 3.34Å; A7-A11 PolarHBondContact O-N 3.35Å
8	E	87.5	Confident	80.9	Confident	136 Å²	136	82.4 Å²	82.4	64%	0.636	48%	0.475	S	S	*	.	H	α-helix	trans	-62.7	-43.8	174.3	-174.1	179.9	-174.1	0	0	112.3	P4 V10 A11 T12	P4-E8 PolarHBondContact O-N 3.21Å; P4-E8 VanDerWaalsContact O-N 3.16Å; E8-V10 VanDerWaalsContact C-N 3.33Å; E8-V10 PolarHBondContact O-N 2.93Å; E8-A11 PolarHBondContact O-N 3.26Å; E8-T12 WeakPolarHBondContact O-CB 3.24Å; E8-T12 PolarHBondContact O-N 2.91Å; E8-T12 PolarHBondContact O-OG1 3Å; E8-T12 VanDerWaalsContact O-OG1 3.06Å
9	H	89.2	Confident	81.6	Confident	104 Å²	104	80.4 Å²	80.4	48%	0.481	47%	0.466	S	S	.	.	H	α-helix	trans	-59.5	-42	173.6	169.9	-90.6	0	0	0	112.1	T5 F6 T13	T5-H9 VanDerWaalsContact O-CB 3.31Å; T5-H9 WeakPolarHBondContact O-CB 3.29Å; T5-H9 PolarHBondContact O-N 3.12Å; F6-H9 PolarHBondContact O-N 3.34Å; H9-T13 VanDerWaalsContact O-CB 3.29Å; H9-T13 WeakPolarHBondContact O-CB 3.37Å; H9-T13 PolarHBondContact O-N 2.9Å; H9-T13 PolarHBondContact O-OG1 2.93Å
10	V	90.5	Very high	82.3	Confident	21 Å²	21	76.6 Å²	76.6	13%	0.127	44%	0.444	C	S	.	.	H	α-helix	trans	-66.2	-41.4	176.8	167.3	0	0	0	0	111.7	F6 A7 E8 N14 H50 F51	F6-V10 HydrophobicContact CD1-CG2 4.23Å; F6-V10 HydrophobicContact CE1-CG2 3.78Å; F6-V10 HydrophobicContact CE2-CG2 4.24Å; F6-V10 HydrophobicContact CZ-CG2 3.79Å; F6-V10 WeakPolarHBondContact O-CG2 3.33Å; F6-V10 PolarHBondContact O-N 3.4Å; A7-V10 PolarHBondContact O-N 3.34Å; E8-V10 VanDerWaalsContact C-N 3.33Å; E8-V10 PolarHBondContact O-N 2.93Å; V10-N14 WeakPolarHBondContact O-CB 3.45Å; V10-N14 PolarHBondContact O-N 3.35Å; V10-N14 PolarHBondContact O-ND2 3.29Å; V10-H50 HydrophobicContact CG1-CB 4.01Å; V10-H50 HydrophobicContact CG2-CB 4.26Å; V10-F51 HydrophobicContact CB-CE1 4.32Å; V10-F51 HydrophobicContact CG1-CE1 4.18Å; V10-F51 HydrophobicContact CG2-CE1 4.14Å; V10-F51 HydrophobicContact CG2-CZ 4.19Å
11	A	89.5	Confident	83	Confident	60 Å²	60	77.9 Å²	77.9	50%	0.496	44%	0.441	S	S	.	.	H	α-helix	trans	-64.2	-49.9	176.9	0	0	0	0	0	111.7	A7 E8 T13 N14 S15	A7-A11 PolarHBondContact O-N 3.35Å; E8-A11 PolarHBondContact O-N 3.26Å; A11-T13 PolarHBondContact O-N 3.34Å; A11-N14 PolarHBondContact O-N 2.85Å; A11-S15 WeakPolarHBondContact O-CB 3.38Å; A11-S15 PolarHBondContact O-N 2.84Å
12	T	91.8	Very high	85.4	Confident	90 Å²	90	68.6 Å²	68.6	55%	0.552	40%	0.404	S	S	*	.	H	α-helix	trans	-58.8	-44.5	177.3	-61.9	0	0	0	0	112	E8 S15 R16	E8-T12 WeakPolarHBondContact O-CB 3.24Å; E8-T12 PolarHBondContact O-N 2.91Å; E8-T12 PolarHBondContact O-OG1 3Å; E8-T12 VanDerWaalsContact O-OG1 3.06Å; T12-S15 WeakPolarHBondContact O-CB 3.44Å; T12-S15 PolarHBondContact O-N 3.22Å; T12-R16 PolarHBondContact O-N 3.47Å
13	T	93.1	Very high	87.7	Confident	21 Å²	21	67.4 Å²	67.4	13%	0.129	39%	0.387	C	S	.	.	H	α-helix	trans	-63.4	-44.5	178.4	-57.7	0	0	0	0	111.7	H9 A11 S15 R16 L17 W40 F51	H9-T13 VanDerWaalsContact O-CB 3.29Å; H9-T13 WeakPolarHBondContact O-CB 3.37Å; H9-T13 PolarHBondContact O-N 2.9Å; H9-T13 PolarHBondContact O-OG1 2.93Å; A11-T13 PolarHBondContact O-N 3.34Å; T13-S15 PolarHBondContact O-N 2.69Å; T13-R16 PolarHBondContact O-N 2.84Å; T13-L17 WeakPolarHBondContact O-CG 3.46Å; T13-L17 PolarHBondContact O-N 3.15Å; T13-W40 HydrophobicContact CG2-CZ2 3.78Å; T13-F51 HydrophobicContact CG2-CD1 3.87Å; T13-F51 HydrophobicContact CG2-CE1 3.54Å; T13-F51 HydrophobicContact CG2-CE2 4.34Å; T13-F51 HydrophobicContact CG2-CG 4.42Å; T13-F51 HydrophobicContact CG2-CZ 3.8Å
14	N	95	Very high	89.9	Confident	26 Å²	26	62.7 Å²	62.7	14%	0.139	36%	0.362	C	S	.	.	H	α-helix	trans	-65.6	-37	177.1	-82.4	-54.3	0	0	0	112.7	V10 A11 R16 L17 A18 H50 N54	V10-N14 WeakPolarHBondContact O-CB 3.45Å; V10-N14 PolarHBondContact O-N 3.35Å; V10-N14 PolarHBondContact O-ND2 3.29Å; A11-N14 PolarHBondContact O-N 2.85Å; N14-R16 VanDerWaalsContact C-N 3.35Å; N14-L17 PolarHBondContact O-N 3.02Å; N14-A18 PolarHBondContact O-N 2.82Å; N14-H50 PolarHBondContact ND2-O 2.56Å; N14-H50 PolarHBondContact OD1-O 3.16Å; N14-N54 VanDerWaalsContact CG-ND2 3.34Å; N14-N54 PolarHBondContact OD1-ND2 2.94Å
15	S	94.4	Very high	91.4	Very high	83 Å²	83	61.5 Å²	61.5	58%	0.58	35%	0.349	S	S	*	.	H	α-helix	trans	-60.7	-42.6	172.1	-173.9	0	0	0	0	111.7	A11 T12 T13 L17 A18 S19	A11-S15 WeakPolarHBondContact O-CB 3.38Å; A11-S15 PolarHBondContact O-N 2.84Å; T12-S15 WeakPolarHBondContact O-CB 3.44Å; T12-S15 PolarHBondContact O-N 3.22Å; T13-S15 PolarHBondContact O-N 2.69Å; S15-L17 PolarHBondContact O-N 2.94Å; S15-A18 PolarHBondContact O-N 3.01Å; S15-S19 PolarHBondContact O-N 2.84Å
16	R	95.8	Very high	92.1	Very high	111 Å²	111	61 Å²	61	42%	0.419	34%	0.343	S	S	.	.	H	α-helix	trans	-64.8	-39	174.2	-173.6	55.6	176.8	-179.2	-1.9	112.5	T12 T13 N14 A18 S19 L20 E36	T12-R16 PolarHBondContact O-N 3.47Å; T13-R16 PolarHBondContact O-N 2.84Å; N14-R16 VanDerWaalsContact C-N 3.35Å; R16-A18 VanDerWaalsContact C-N 3.35Å; R16-A18 PolarHBondContact O-N 3.5Å; R16-S19 PolarHBondContact O-N 3.33Å; R16-L20 HydrophobicContact CG-CD1 4.22Å; R16-L20 HydrophobicContact CG-CG 4.48Å; R16-L20 WeakPolarHBondContact O-CB 3.49Å; R16-L20 WeakPolarHBondContact O-CG 3.05Å; R16-L20 PolarHBondContact O-N 3.41Å; R16-E36 IonicContact CZ-OE1 2.82Å; R16-E36 IonicContact CZ-OE2 3.23Å; R16-E36 IonicContact NE-OE1 3.89Å; R16-E36 PolarHBondContact NE-OE1 2.95Å; R16-E36 IonicContact NE-OE2 3.83Å; R16-E36 VanDerWaalsContact NH2-CD 3.3Å; R16-E36 IonicContact NH2-OE1 3.2Å; R16-E36 PolarHBondContact NH2-OE1 2.87Å; R16-E36 VanDerWaalsContact NH2-OE1 3.12Å; R16-E36 IonicContact NH2-OE2 2.73Å; R16-E36 PolarHBondContact NH2-OE2 3.16Å
17	L	95.4	Very high	92.4	Very high	4 Å²	4	59.4 Å²	59.4	2%	0.021	34%	0.341	C	S	.	.	H	α-helix	trans	-63.1	-39.1	174.5	-69.8	171.8	0	0	0	112.4	T13 N14 S15 L20 R21 L37 W40 F51 N54	T13-L17 WeakPolarHBondContact O-CG 3.46Å; T13-L17 PolarHBondContact O-N 3.15Å; N14-L17 PolarHBondContact O-N 3.02Å; S15-L17 PolarHBondContact O-N 2.94Å; L17-L20 PolarHBondContact O-N 2.86Å; L17-R21 WeakPolarHBondContact O-CB 3.45Å; L17-R21 PolarHBondContact O-N 2.79Å; L17-L37 HydrophobicContact CD2-CD1 3.59Å; L17-W40 HydrophobicContact CD1-CH2 3.74Å; L17-W40 HydrophobicContact CD1-CZ2 4.29Å; L17-W40 HydrophobicContact CD1-CZ3 4.08Å; L17-W40 HydrophobicContact CD2-CD2 4.4Å; L17-W40 HydrophobicContact CD2-CE3 3.86Å; L17-W40 HydrophobicContact CD2-CH2 4.11Å; L17-W40 HydrophobicContact CD2-CZ3 3.69Å; L17-W40 HydrophobicContact CG-CH2 4.43Å; L17-W40 HydrophobicContact CG-CZ3 4.48Å; L17-F51 HydrophobicContact CD1-CB 4.04Å; L17-N54 HydrophobicContact CB-CB 3.87Å; L17-N54 HydrophobicContact CD1-CB 3.97Å
18	A	93.3	Very high	93	Very high	50 Å²	50	60.9 Å²	60.9	41%	0.413	35%	0.348	S	S	.	.	H	α-helix	trans	-65.3	-40.4	174.2	0	0	0	0	0	112.3	N14 S15 R16 R21 A22	N14-A18 PolarHBondContact O-N 2.82Å; S15-A18 PolarHBondContact O-N 3.01Å; R16-A18 VanDerWaalsContact C-N 3.35Å; R16-A18 PolarHBondContact O-N 3.5Å; A18-R21 WeakPolarHBondContact O-CB 3.43Å; A18-R21 PolarHBondContact O-N 2.83Å; A18-A22 PolarHBondContact O-N 3.37Å; A18-A22 VanDerWaalsContact O-N 3.15Å
19	S	95.3	Very high	93.3	Very high	45 Å²	45	56.4 Å²	56.4	32%	0.315	33%	0.33	S	S	.	.	H	α-helix	trans	-63.1	-46.4	172.6	172.1	0	0	0	0	112.2	S15 R16 R21 A22 N23	S15-S19 PolarHBondContact O-N 2.84Å; R16-S19 PolarHBondContact O-N 3.33Å; S19-R21 VanDerWaalsContact C-N 3.3Å; S19-R21 PolarHBondContact O-N 3.36Å; S19-A22 WeakPolarHBondContact O-CB 3.44Å; S19-A22 PolarHBondContact O-N 3.28Å; S19-A22 VanDerWaalsContact O-N 3.13Å; S19-N23 PolarHBondContact O-N 2.84Å; S19-N23 PolarHBondContact O-OD1 2.59Å
20	L	95.4	Very high	93.6	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-60.6	-38.7	175.7	-74.9	169.8	0	0	0	112	R16 L17 A22 N23 L24 A33 E36 L37	R16-L20 HydrophobicContact CG-CD1 4.22Å; R16-L20 HydrophobicContact CG-CG 4.48Å; R16-L20 WeakPolarHBondContact O-CB 3.49Å; R16-L20 WeakPolarHBondContact O-CG 3.05Å; R16-L20 PolarHBondContact O-N 3.41Å; L17-L20 PolarHBondContact O-N 2.86Å; L20-A22 VanDerWaalsContact C-N 3.35Å; L20-A22 PolarHBondContact O-N 2.83Å; L20-N23 PolarHBondContact O-N 3.02Å; L20-L24 WeakPolarHBondContact O-CD1 3.08Å; L20-L24 VanDerWaalsContact O-CG 3.26Å; L20-L24 WeakPolarHBondContact O-CG 3.42Å; L20-L24 PolarHBondContact O-N 2.82Å; L20-A33 HydrophobicContact CD2-CB 3.93Å; L20-E36 HydrophobicContact CD1-CG 4.37Å; L20-E36 HydrophobicContact CD2-CB 4.09Å; L20-E36 HydrophobicContact CD2-CG 4.23Å; L20-L37 HydrophobicContact CD1-CB 4.4Å; L20-L37 HydrophobicContact CD1-CD1 4.24Å
21	R	96.3	Very high	93.8	Very high	103 Å²	103	53.2 Å²	53.2	39%	0.389	32%	0.319	S	S	.	.	H	α-helix	trans	-60.8	-40.4	173.9	179.5	-179.2	179.6	-118.6	-5	112.6	L17 A18 S19 L24 M57 A58 A61	L17-R21 WeakPolarHBondContact O-CB 3.45Å; L17-R21 PolarHBondContact O-N 2.79Å; A18-R21 WeakPolarHBondContact O-CB 3.43Å; A18-R21 PolarHBondContact O-N 2.83Å; S19-R21 VanDerWaalsContact C-N 3.3Å; S19-R21 PolarHBondContact O-N 3.36Å; R21-L24 PolarHBondContact O-N 2.9Å; R21-M57 WeakPolarHBondContact CD-O 3.2Å; R21-M57 PolarHBondContact NE-O 3.06Å; R21-M57 VanDerWaalsContact NE-O 3.12Å; R21-A58 HydrophobicContact CB-CB 4.06Å; R21-A61 HydrophobicContact CG-CB 4.14Å
22	A	93.3	Very high	94.1	Very high	55 Å²	55	57.4 Å²	57.4	46%	0.455	33%	0.328	S	S	.	.	H	α-helix	trans	-65.5	-43.9	174.6	0	0	0	0	0	111.2	A18 S19 L20 L24 I25	A18-A22 PolarHBondContact O-N 3.37Å; A18-A22 VanDerWaalsContact O-N 3.15Å; S19-A22 WeakPolarHBondContact O-CB 3.44Å; S19-A22 PolarHBondContact O-N 3.28Å; S19-A22 VanDerWaalsContact O-N 3.13Å; L20-A22 VanDerWaalsContact C-N 3.35Å; L20-A22 PolarHBondContact O-N 2.83Å; A22-L24 PolarHBondContact O-N 2.8Å; A22-I25 WeakPolarHBondContact O-CB 3.16Å; A22-I25 PolarHBondContact O-N 2.97Å
23	N	93.9	Very high	94.3	Very high	54 Å²	54	53.2 Å²	53.2	29%	0.289	30%	0.302	S	S	.	.	H	α-helix	trans	-68.8	-12.2	178.8	-65.3	7	0	0	0	113.7	S19 L20 I25 T29 F30 A33	S19-N23 PolarHBondContact O-N 2.84Å; S19-N23 PolarHBondContact O-OD1 2.59Å; L20-N23 PolarHBondContact O-N 3.02Å; N23-I25 VanDerWaalsContact C-N 3.33Å; N23-T29 WeakPolarHBondContact CA-OG1 3.36Å; N23-T29 CarbonylContact O-C 3.51Å; N23-T29 WeakPolarHBondContact O-CB 3.27Å; N23-T29 PolarHBondContact O-OG1 3.02Å; N23-F30 PolarHBondContact O-N 3.15Å; N23-A33 HydrophobicContact CB-CB 3.57Å
24	L	95.4	Very high	94.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	2.8	171.6	-74.5	163.9	0	0	0	113.7	L20 R21 A22 F30 A33 C34 L37 A58 A61 A62 Y65	L20-L24 WeakPolarHBondContact O-CD1 3.08Å; L20-L24 VanDerWaalsContact O-CG 3.26Å; L20-L24 WeakPolarHBondContact O-CG 3.42Å; L20-L24 PolarHBondContact O-N 2.82Å; R21-L24 PolarHBondContact O-N 2.9Å; A22-L24 PolarHBondContact O-N 2.8Å; L24-F30 HydrophobicContact CB-CD2 4.36Å; L24-F30 HydrophobicContact CB-CE2 4.47Å; L24-F30 HydrophobicContact CD2-CD2 3.72Å; L24-F30 HydrophobicContact CD2-CE2 3.63Å; L24-F30 HydrophobicContact CD2-CG 4.38Å; L24-F30 HydrophobicContact CD2-CZ 4.21Å; L24-F30 WeakPolarHBondContact O-CD2 3.46Å; L24-A33 HydrophobicContact CD2-CB 4.28Å; L24-A33 HydrophobicContact CG-CB 4.09Å; L24-C34 HydrophobicContact CD2-CB 3.73Å; L24-L37 HydrophobicContact CD1-CD2 3.92Å; L24-A58 HydrophobicContact CD1-CB 4.41Å; L24-A61 HydrophobicContact CB-CB 4.14Å; L24-A62 HydrophobicContact CD1-CB 4.28Å; L24-A62 HydrophobicContact CD2-CB 4.26Å; L24-Y65 WeakPolarHBondContact O-CB 3.14Å
25	I	92.9	Very high	94.5	Very high	77 Å²	77	52.8 Å²	52.8	40%	0.395	30%	0.303	S	S	.	.	S	Bend	trans	-100.7	-24.2	179.2	-64.6	171.3	0	0	0	112.5	A22 N23 Y65 Y71	A22-I25 WeakPolarHBondContact O-CB 3.16Å; A22-I25 PolarHBondContact O-N 2.97Å; N23-I25 VanDerWaalsContact C-N 3.33Å; I25-Y65 HydrophobicContact CB-CE2 4.4Å; I25-Y65 HydrophobicContact CG1-CD2 4.38Å; I25-Y65 HydrophobicContact CG1-CE2 3.94Å; I25-Y65 HydrophobicContact CG2-CE1 4.05Å; I25-Y65 HydrophobicContact CG2-CE2 4.31Å; I25-Y71 PolarHBondContact O-OH 3.41Å
26	D	91	Very high	94.6	Very high	78 Å²	78	51.8 Å²	51.8	42%	0.417	29%	0.289	S	S	.	.	S	Bend	trans	-102	142	175.3	177.3	40.1	0	0	0	112.3	S28 F30	D26-S28 VanDerWaalsContact C-N 3.28Å; D26-S28 PolarHBondContact O-N 3.17Å; D26-S28 VanDerWaalsContact OD2-CB 3.26Å; D26-S28 WeakPolarHBondContact OD2-CB 3.48Å; D26-S28 PolarHBondContact OD2-N 3.44Å; D26-S28 PolarHBondContact OD2-OG 2.89Å; D26-F30 VanDerWaalsContact O-CB 3.3Å; D26-F30 WeakPolarHBondContact O-CB 3.47Å; D26-F30 PolarHBondContact O-N 2.84Å
27	V	90.6	Very high	94.7	Very high	65 Å²	65	46.5 Å²	46.5	39%	0.394	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-37.5	179.2	-175.3	0	0	0	0	111.3	N70 Y71	V27-N70 HydrophobicContact CG1-CB 4.48Å; V27-Y71 HydrophobicContact CG2-CD2 4.41Å; V27-Y71 HydrophobicContact CG2-CE1 4.25Å; V27-Y71 HydrophobicContact CG2-CE2 3.62Å; V27-Y71 WeakPolarHBondContact CG2-OH 3.45Å; V27-Y71 PolarHBondContact N-OH 3.4Å
28	S	92.7	Very high	94.8	Very high	92 Å²	92	47.2 Å²	47.2	64%	0.643	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-40.9	-173.5	81.1	0	0	0	0	112.4	D26	D26-S28 VanDerWaalsContact C-N 3.28Å; D26-S28 PolarHBondContact O-N 3.17Å; D26-S28 VanDerWaalsContact OD2-CB 3.26Å; D26-S28 WeakPolarHBondContact OD2-CB 3.48Å; D26-S28 PolarHBondContact OD2-N 3.44Å; D26-S28 PolarHBondContact OD2-OG 2.89Å
29	T	94.3	Very high	94.9	Very high	42 Å²	42	51.9 Å²	51.9	26%	0.258	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-16.9	-178.8	54.5	0	0	0	0	114	N23 P31 E32 A33	N23-T29 WeakPolarHBondContact CA-OG1 3.36Å; N23-T29 CarbonylContact O-C 3.51Å; N23-T29 WeakPolarHBondContact O-CB 3.27Å; N23-T29 PolarHBondContact O-OG1 3.02Å; T29-P31 VanDerWaalsContact C-CD 3.47Å; T29-E32 PolarHBondContact O-N 2.83Å; T29-A33 PolarHBondContact O-N 2.84Å
30	F	95.6	Very high	94.9	Very high	1 Å²	1	53.2 Å²	53.2	0%	0.004	28%	0.283	C	S	.	.	H	α-helix	trans	-52.2	-46.1	-176	-171.4	-89.5	0	0	0	114.9	N23 L24 D26 E32 C34 Y71 T76	N23-F30 PolarHBondContact O-N 3.15Å; L24-F30 HydrophobicContact CB-CD2 4.36Å; L24-F30 HydrophobicContact CB-CE2 4.47Å; L24-F30 HydrophobicContact CD2-CD2 3.72Å; L24-F30 HydrophobicContact CD2-CE2 3.63Å; L24-F30 HydrophobicContact CD2-CG 4.38Å; L24-F30 HydrophobicContact CD2-CZ 4.21Å; L24-F30 WeakPolarHBondContact O-CD2 3.46Å; D26-F30 VanDerWaalsContact O-CB 3.3Å; D26-F30 WeakPolarHBondContact O-CB 3.47Å; D26-F30 PolarHBondContact O-N 2.84Å; F30-E32 VanDerWaalsContact C-N 3.33Å; F30-E32 PolarHBondContact O-N 3.48Å; F30-C34 HydrophobicContact CD1-CB 4.27Å; F30-C34 HydrophobicContact CE1-CB 4.06Å; F30-C34 HydrophobicContact CZ-CB 4.42Å; F30-C34 WeakPolarHBondContact O-CB 3.38Å; F30-C34 PolarHBondContact O-N 2.85Å; F30-Y71 HydrophobicContact CB-CD1 3.95Å; F30-Y71 HydrophobicContact CB-CE1 3.91Å; F30-Y71 AromaticContact CD1-CD1 3.91Å; F30-Y71 HydrophobicContact CD1-CD1 3.91Å; F30-Y71 AromaticContact CD2-CD1 3.48Å; F30-Y71 HydrophobicContact CD2-CD1 3.48Å; F30-Y71 VanDerWaalsContact CD2-CD1 3.48Å; F30-Y71 AromaticContact CD2-CE1 3.61Å; F30-Y71 HydrophobicContact CD2-CE1 3.61Å; F30-Y71 HydrophobicContact CE1-CD1 4.26Å; F30-Y71 AromaticContact CE2-CD1 3.86Å; F30-Y71 HydrophobicContact CE2-CD1 3.86Å; F30-Y71 HydrophobicContact CE2-CE1 4.27Å; F30-Y71 AromaticContact CG-CD1 3.51Å; F30-Y71 HydrophobicContact CG-CD1 3.51Å; F30-Y71 AromaticContact CG-CE1 3.84Å; F30-Y71 HydrophobicContact CG-CE1 3.84Å; F30-Y71 HydrophobicContact CZ-CD1 4.24Å; F30-T76 VanDerWaalsContact CZ-OG1 3.3Å; F30-T76 WeakPolarHBondContact CZ-OG1 3.39Å
31	P	94.9	Very high	95	Very high	56 Å²	56	53 Å²	53	36%	0.364	28%	0.282	S	S	.	.	H	α-helix	trans	-65.6	-37.6	-174	-21	34.5	0	0	0	112.4	T29 S35 L75	T29-P31 VanDerWaalsContact C-CD 3.47Å; P31-S35 VanDerWaalsContact O-CB 3.22Å; P31-S35 WeakPolarHBondContact O-CB 3.48Å; P31-S35 PolarHBondContact O-N 2.87Å; P31-S35 VanDerWaalsContact O-N 3.13Å; P31-S35 PolarHBondContact O-OG 3.3Å; P31-L75 HydrophobicContact CB-CD1 3.84Å
32	E	95.1	Very high	94.8	Very high	148 Å²	148	54.1 Å²	54.1	69%	0.692	29%	0.291	S	S	*	.	H	α-helix	trans	-72.6	-50.6	178.2	-175.5	167.4	-147	0	0	111	T29 F30 C34 S35 E36	T29-E32 PolarHBondContact O-N 2.83Å; F30-E32 VanDerWaalsContact C-N 3.33Å; F30-E32 PolarHBondContact O-N 3.48Å; E32-C34 PolarHBondContact O-N 2.84Å; E32-S35 WeakPolarHBondContact O-CB 3.28Å; E32-S35 PolarHBondContact O-N 3.13Å; E32-S35 VanDerWaalsContact O-N 3.1Å; E32-E36 PolarHBondContact O-N 2.99Å
33	A	95.9	Very high	94.8	Very high	2 Å²	2	54.1 Å²	54.1	2%	0.017	28%	0.284	C	S	.	.	H	α-helix	trans	-62.1	-40.5	180	0	0	0	0	0	112.7	L20 N23 L24 T29 S35 L37	L20-A33 HydrophobicContact CD2-CB 3.93Å; N23-A33 HydrophobicContact CB-CB 3.57Å; L24-A33 HydrophobicContact CD2-CB 4.28Å; L24-A33 HydrophobicContact CG-CB 4.09Å; T29-A33 PolarHBondContact O-N 2.84Å; A33-S35 VanDerWaalsContact C-N 3.35Å; A33-L37 VanDerWaalsContact O-CB 3.32Å; A33-L37 WeakPolarHBondContact O-CB 3.35Å; A33-L37 PolarHBondContact O-N 2.86Å
34	C	96.8	Very high	94.7	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-66.8	-36.8	175.1	-165.3	0	0	0	0	111.6	L24 F30 E32 T38 L75	L24-C34 HydrophobicContact CD2-CB 3.73Å; F30-C34 HydrophobicContact CD1-CB 4.27Å; F30-C34 HydrophobicContact CE1-CB 4.06Å; F30-C34 HydrophobicContact CZ-CB 4.42Å; F30-C34 WeakPolarHBondContact O-CB 3.38Å; F30-C34 PolarHBondContact O-N 2.85Å; E32-C34 PolarHBondContact O-N 2.84Å; C34-T38 VanDerWaalsContact O-CB 3.28Å; C34-T38 WeakPolarHBondContact O-CB 3.3Å; C34-T38 PolarHBondContact O-N 2.99Å; C34-T38 PolarHBondContact O-OG1 2.84Å; C34-L75 HydrophobicContact CB-CB 4.29Å; C34-L75 VanDerWaalsContact SG-C 3.59Å
35	S	96.5	Very high	94.5	Very high	39 Å²	39	65.2 Å²	65.2	27%	0.273	33%	0.326	S	S	.	.	H	α-helix	trans	-70.5	-41.2	176.3	-63.9	0	0	0	0	113	P31 E32 A33 T38 K39	P31-S35 VanDerWaalsContact O-CB 3.22Å; P31-S35 WeakPolarHBondContact O-CB 3.48Å; P31-S35 PolarHBondContact O-N 2.87Å; P31-S35 VanDerWaalsContact O-N 3.13Å; P31-S35 PolarHBondContact O-OG 3.3Å; E32-S35 WeakPolarHBondContact O-CB 3.28Å; E32-S35 PolarHBondContact O-N 3.13Å; E32-S35 VanDerWaalsContact O-N 3.1Å; A33-S35 VanDerWaalsContact C-N 3.35Å; S35-T38 PolarHBondContact O-N 3.44Å; S35-K39 WeakPolarHBondContact O-CG 3.35Å; S35-K39 PolarHBondContact O-N 3.14Å; S35-K39 VanDerWaalsContact O-N 3.07Å
36	E	96.9	Very high	94.5	Very high	61 Å²	61	61.7 Å²	61.7	29%	0.285	31%	0.308	S	S	.	.	H	α-helix	trans	-63.7	-50.7	174.9	-175.1	180	140.5	0	0	111.1	R16 L20 E32 T38 K39 W40	R16-E36 IonicContact CZ-OE1 2.82Å; R16-E36 IonicContact CZ-OE2 3.23Å; R16-E36 IonicContact NE-OE1 3.89Å; R16-E36 PolarHBondContact NE-OE1 2.95Å; R16-E36 IonicContact NE-OE2 3.83Å; R16-E36 VanDerWaalsContact NH2-CD 3.3Å; R16-E36 IonicContact NH2-OE1 3.2Å; R16-E36 PolarHBondContact NH2-OE1 2.87Å; R16-E36 VanDerWaalsContact NH2-OE1 3.12Å; R16-E36 IonicContact NH2-OE2 2.73Å; R16-E36 PolarHBondContact NH2-OE2 3.16Å; L20-E36 HydrophobicContact CD1-CG 4.37Å; L20-E36 HydrophobicContact CD2-CB 4.09Å; L20-E36 HydrophobicContact CD2-CG 4.23Å; E32-E36 PolarHBondContact O-N 2.99Å; E36-T38 PolarHBondContact O-N 2.83Å; E36-K39 WeakPolarHBondContact O-CB 3.36Å; E36-K39 PolarHBondContact O-N 3.38Å; E36-K39 VanDerWaalsContact O-N 3.07Å; E36-W40 PolarHBondContact O-N 3.34Å
37	L	96.9	Very high	94.7	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.3	-34.2	177.9	-170	62.8	0	0	0	111.5	L17 L20 L24 A33 W40 C41 L55 A58 L79	L17-L37 HydrophobicContact CD2-CD1 3.59Å; L20-L37 HydrophobicContact CD1-CB 4.4Å; L20-L37 HydrophobicContact CD1-CD1 4.24Å; L24-L37 HydrophobicContact CD1-CD2 3.92Å; A33-L37 VanDerWaalsContact O-CB 3.32Å; A33-L37 WeakPolarHBondContact O-CB 3.35Å; A33-L37 PolarHBondContact O-N 2.86Å; L37-W40 HydrophobicContact CD1-CE3 4.01Å; L37-W40 PolarHBondContact O-N 2.67Å; L37-C41 VanDerWaalsContact O-CB 3.26Å; L37-C41 WeakPolarHBondContact O-CB 3.41Å; L37-C41 PolarHBondContact O-N 3.47Å; L37-C41 PolarHBondContact O-SG 2.87Å; L37-L55 HydrophobicContact CD1-CD1 4.3Å; L37-A58 HydrophobicContact CD2-CB 3.71Å; L37-L79 HydrophobicContact CB-CD1 4.18Å; L37-L79 HydrophobicContact CD2-CD1 4.08Å; L37-L79 HydrophobicContact CD2-CD2 3.95Å; L37-L79 HydrophobicContact CG-CD1 3.8Å; L37-L79 HydrophobicContact CG-CD2 4.46Å
38	T	97.3	Very high	94.8	Very high	20 Å²	20	57.5 Å²	57.5	12%	0.123	29%	0.285	C	S	.	.	H	α-helix	trans	-63.5	-42.1	173.3	-61.3	0	0	0	0	112.1	C34 S35 E36 C41 Q42 L79	C34-T38 VanDerWaalsContact O-CB 3.28Å; C34-T38 WeakPolarHBondContact O-CB 3.3Å; C34-T38 PolarHBondContact O-N 2.99Å; C34-T38 PolarHBondContact O-OG1 2.84Å; S35-T38 PolarHBondContact O-N 3.44Å; E36-T38 PolarHBondContact O-N 2.83Å; T38-C41 PolarHBondContact O-N 2.93Å; T38-Q42 WeakPolarHBondContact O-CG 3.24Å; T38-Q42 PolarHBondContact O-N 3.26Å; T38-L79 WeakPolarHBondContact OG1-CA 3.43Å; T38-L79 VanDerWaalsContact OG1-CB 3.31Å; T38-L79 WeakPolarHBondContact OG1-CB 3.49Å
39	K	96.1	Very high	94.6	Very high	148 Å²	148	57.1 Å²	57.1	64%	0.643	29%	0.287	S	S	*	.	H	α-helix	trans	-63.9	-44	175.8	-69	165.2	-175.4	173.2	0	111.1	S35 E36 C41 Q42	S35-K39 WeakPolarHBondContact O-CG 3.35Å; S35-K39 PolarHBondContact O-N 3.14Å; S35-K39 VanDerWaalsContact O-N 3.07Å; E36-K39 WeakPolarHBondContact O-CB 3.36Å; E36-K39 PolarHBondContact O-N 3.38Å; E36-K39 VanDerWaalsContact O-N 3.07Å; K39-C41 PolarHBondContact O-N 3.07Å; K39-Q42 WeakPolarHBondContact O-CB 3.43Å; K39-Q42 PolarHBondContact O-N 3.29Å
40	W	95.4	Very high	94.5	Very high	72 Å²	72	60.1 Å²	60.1	27%	0.273	30%	0.299	S	S	.	.	H	α-helix	trans	-61.9	-43.7	177.4	-170.4	76.4	0	0	0	111.7	T13 L17 E36 L37 Q42 D43 A46 F51 L55	T13-W40 HydrophobicContact CG2-CZ2 3.78Å; L17-W40 HydrophobicContact CD1-CH2 3.74Å; L17-W40 HydrophobicContact CD1-CZ2 4.29Å; L17-W40 HydrophobicContact CD1-CZ3 4.08Å; L17-W40 HydrophobicContact CD2-CD2 4.4Å; L17-W40 HydrophobicContact CD2-CE3 3.86Å; L17-W40 HydrophobicContact CD2-CH2 4.11Å; L17-W40 HydrophobicContact CD2-CZ3 3.69Å; L17-W40 HydrophobicContact CG-CH2 4.43Å; L17-W40 HydrophobicContact CG-CZ3 4.48Å; E36-W40 PolarHBondContact O-N 3.34Å; L37-W40 HydrophobicContact CD1-CE3 4.01Å; L37-W40 PolarHBondContact O-N 2.67Å; W40-Q42 PolarHBondContact O-N 2.85Å; W40-Q42 VanDerWaalsContact O-N 3.12Å; W40-D43 PolarHBondContact O-N 2.73Å; W40-D43 VanDerWaalsContact O-N 3.11Å; W40-A46 HydrophobicContact CD2-CB 3.8Å; W40-A46 HydrophobicContact CE3-CB 3.6Å; W40-A46 HydrophobicContact CH2-CB 3.59Å; W40-A46 WeakPolarHBondContact CH2-O 3.45Å; W40-A46 HydrophobicContact CZ2-CB 3.81Å; W40-A46 HydrophobicContact CZ3-CB 3.5Å; W40-F51 HydrophobicContact CH2-CB 3.74Å; W40-F51 AromaticContact CH2-CD2 3.92Å; W40-F51 HydrophobicContact CH2-CD2 3.92Å; W40-F51 AromaticContact CH2-CG 3.95Å; W40-F51 HydrophobicContact CH2-CG 3.95Å; W40-F51 HydrophobicContact CZ2-CB 4.37Å; W40-F51 AromaticContact CZ2-CD2 3.79Å; W40-F51 HydrophobicContact CZ2-CD2 3.79Å; W40-F51 HydrophobicContact CZ2-CE2 4.28Å; W40-F51 HydrophobicContact CZ2-CG 4.08Å; W40-L55 HydrophobicContact CZ3-CB 4.3Å; W40-L55 HydrophobicContact CZ3-CD1 4.09Å; W40-L55 HydrophobicContact CZ3-CD2 4.17Å; W40-L55 HydrophobicContact CZ3-CG 4.4Å
41	C	96.4	Very high	94.5	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	2.6	176.1	-69.1	0	0	0	0	115.5	L37 T38 K39 F47 L55 L79 A82 C83	L37-C41 VanDerWaalsContact O-CB 3.26Å; L37-C41 WeakPolarHBondContact O-CB 3.41Å; L37-C41 PolarHBondContact O-N 3.47Å; L37-C41 PolarHBondContact O-SG 2.87Å; T38-C41 PolarHBondContact O-N 2.93Å; K39-C41 PolarHBondContact O-N 3.07Å; C41-F47 HydrophobicContact CB-CZ 4Å; C41-F47 WeakPolarHBondContact O-CE2 3.43Å; C41-F47 WeakPolarHBondContact O-CZ 3.45Å; C41-L55 VanDerWaalsContact SG-CD1 3.53Å; C41-L79 HydrophobicContact CB-CD1 4.41Å; C41-A82 HydrophobicContact CB-CB 4.12Å; C41-C83 PolarHBondContact SG-SG 3.48Å
42	Q	93.8	Very high	94.4	Very high	127 Å²	127	59.1 Å²	59.1	59%	0.593	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-17.2	167.6	-71.1	165.8	16.9	0	0	112.5	T38 K39 W40 A82	T38-Q42 WeakPolarHBondContact O-CG 3.24Å; T38-Q42 PolarHBondContact O-N 3.26Å; K39-Q42 WeakPolarHBondContact O-CB 3.43Å; K39-Q42 PolarHBondContact O-N 3.29Å; W40-Q42 PolarHBondContact O-N 2.85Å; W40-Q42 VanDerWaalsContact O-N 3.12Å; Q42-A82 HydrophobicContact CG-CB 4.5Å
43	D	92.3	Very high	94.3	Very high	55 Å²	55	58 Å²	58	29%	0.294	29%	0.287	S	S	.	.	S	Bend	trans	-88.2	128.5	174.2	-166.8	-32.8	0	0	0	110.3	W40 R45 A46 F47	W40-D43 PolarHBondContact O-N 2.73Å; W40-D43 VanDerWaalsContact O-N 3.11Å; D43-R45 PolarHBondContact O-N 2.87Å; D43-R45 VanDerWaalsContact O-N 3.13Å; D43-R45 VanDerWaalsContact OD1-CB 3.26Å; D43-R45 WeakPolarHBondContact OD1-CB 3.45Å; D43-R45 VanDerWaalsContact OD1-CG 3.28Å; D43-R45 WeakPolarHBondContact OD1-CG 3.42Å; D43-R45 PolarHBondContact OD1-N 3.07Å; D43-R45 IonicContact OD1-NE 2.67Å; D43-R45 PolarHBondContact OD1-NE 2.57Å; D43-R45 IonicContact OD2-CZ 2.74Å; D43-R45 IonicContact OD2-NE 3.16Å; D43-R45 PolarHBondContact OD2-NE 2.98Å; D43-R45 IonicContact OD2-NH2 3.39Å; D43-R45 PolarHBondContact OD2-NH2 3.2Å; D43-A46 VanDerWaalsContact O-CB 3.29Å; D43-A46 WeakPolarHBondContact O-CB 3.17Å; D43-A46 PolarHBondContact O-N 2.61Å; D43-A46 VanDerWaalsContact O-N 3.1Å; D43-F47 WeakPolarHBondContact O-CD2 3.5Å; D43-F47 WeakPolarHBondContact O-CE2 3.38Å
44	Q	91.6	Very high	94.3	Very high	104 Å²	104	60.3 Å²	60.3	49%	0.486	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-58.3	-25.9	175.4	-170.6	-178.6	-49	0	0	112.5	A46 F47 H89	Q44-A46 PolarHBondContact O-N 2.94Å; Q44-F47 PolarHBondContact O-N 2.93Å; Q44-F47 VanDerWaalsContact O-N 3.1Å; Q44-H89 PolarHBondContact NE2-CE1 2.89Å
45	R	91.9	Very high	94.2	Very high	183 Å²	183	60.3 Å²	60.3	69%	0.691	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-68.7	-18.1	178.5	-62	178.4	-66.5	170.3	2.1	113.8	D43 F47	D43-R45 PolarHBondContact O-N 2.87Å; D43-R45 VanDerWaalsContact O-N 3.13Å; D43-R45 VanDerWaalsContact OD1-CB 3.26Å; D43-R45 WeakPolarHBondContact OD1-CB 3.45Å; D43-R45 VanDerWaalsContact OD1-CG 3.28Å; D43-R45 WeakPolarHBondContact OD1-CG 3.42Å; D43-R45 PolarHBondContact OD1-N 3.07Å; D43-R45 IonicContact OD1-NE 2.67Å; D43-R45 PolarHBondContact OD1-NE 2.57Å; D43-R45 IonicContact OD2-CZ 2.74Å; D43-R45 IonicContact OD2-NE 3.16Å; D43-R45 PolarHBondContact OD2-NE 2.98Å; D43-R45 IonicContact OD2-NH2 3.39Å; D43-R45 PolarHBondContact OD2-NH2 3.2Å; R45-F47 PolarHBondContact O-N 2.84Å
46	A	91.6	Very high	94.3	Very high	2 Å²	2	59.2 Å²	59.2	2%	0.017	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-63.2	-26.1	169.2	0	0	0	0	0	112.4	W40 D43 Q44 T48	W40-A46 HydrophobicContact CD2-CB 3.8Å; W40-A46 HydrophobicContact CE3-CB 3.6Å; W40-A46 HydrophobicContact CH2-CB 3.59Å; W40-A46 WeakPolarHBondContact CH2-O 3.45Å; W40-A46 HydrophobicContact CZ2-CB 3.81Å; W40-A46 HydrophobicContact CZ3-CB 3.5Å; D43-A46 VanDerWaalsContact O-CB 3.29Å; D43-A46 WeakPolarHBondContact O-CB 3.17Å; D43-A46 PolarHBondContact O-N 2.61Å; D43-A46 VanDerWaalsContact O-N 3.1Å; Q44-A46 PolarHBondContact O-N 2.94Å; A46-T48 PolarHBondContact O-N 2.99Å
47	F	95	Very high	94.1	Very high	4 Å²	4	59.6 Å²	59.6	2%	0.018	29%	0.293	C	S	.	.	S	Bend	trans	-97.4	61	-171.6	-56	-90.9	0	0	0	111.3	C41 D43 Q44 R45 L55 C83 H86 H89 L90	C41-F47 HydrophobicContact CB-CZ 4Å; C41-F47 WeakPolarHBondContact O-CE2 3.43Å; C41-F47 WeakPolarHBondContact O-CZ 3.45Å; D43-F47 WeakPolarHBondContact O-CD2 3.5Å; D43-F47 WeakPolarHBondContact O-CE2 3.38Å; Q44-F47 PolarHBondContact O-N 2.93Å; Q44-F47 VanDerWaalsContact O-N 3.1Å; R45-F47 PolarHBondContact O-N 2.84Å; F47-L55 HydrophobicContact CD1-CD2 4.08Å; F47-L55 HydrophobicContact CE1-CD2 4Å; F47-C83 HydrophobicContact CE1-CB 4.15Å; F47-C83 HydrophobicContact CZ-CB 4.48Å; F47-H86 HydrophobicContact CB-CB 4.44Å; F47-H86 HydrophobicContact CD1-CB 3.96Å; F47-H86 HydrophobicContact CD2-CB 3.35Å; F47-H86 AromaticContact CD2-CG 3.95Å; F47-H86 HydrophobicContact CE1-CB 4.05Å; F47-H86 HydrophobicContact CE2-CB 3.44Å; F47-H86 VanDerWaalsContact CE2-CB 3.44Å; F47-H86 AromaticContact CE2-CD2 3.84Å; F47-H86 AromaticContact CE2-CG 3.8Å; F47-H86 HydrophobicContact CG-CB 3.63Å; F47-H86 HydrophobicContact CZ-CB 3.81Å; F47-H89 HydrophobicContact CB-CB 3.9Å; F47-H89 WeakPolarHBondContact O-CB 3.44Å; F47-L90 HydrophobicContact CB-CD2 3.86Å; F47-L90 HydrophobicContact CB-CG 4.26Å; F47-L90 HydrophobicContact CD1-CD1 3.9Å; F47-L90 HydrophobicContact CD1-CD2 3.96Å; F47-L90 HydrophobicContact CD1-CG 3.87Å; F47-L90 HydrophobicContact CE1-CD1 4.49Å; F47-L90 HydrophobicContact CG-CD2 4.41Å
48	T	92.7	Very high	94.1	Very high	51 Å²	51	59.6 Å²	59.6	31%	0.313	29%	0.293	S	S	.	.	S	Bend	trans	-123.3	155.7	175.1	65.9	0	0	0	0	111.3	A46 H50 F51 E52	A46-T48 PolarHBondContact O-N 2.99Å; T48-H50 PolarHBondContact O-N 2.84Å; T48-H50 VanDerWaalsContact O-N 3.08Å; T48-F51 PolarHBondContact O-N 3.03Å; T48-F51 WeakPolarHBondContact OG1-CD2 3.39Å; T48-E52 PolarHBondContact O-N 2.77Å
49	A	89.3	Confident	94	Very high	84 Å²	84	58.7 Å²	58.7	69%	0.694	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-24.1	-179.3	0	0	0	0	0	113.8	F51	A49-F51 PolarHBondContact O-N 2.6Å
50	H	91.9	Very high	94	Very high	106 Å²	106	55 Å²	55	49%	0.491	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-18.4	176.2	-61	-60	0	0	0	114.2	F6 V10 N14 T48	F6-H50 AromaticContact CZ-CD2 3.99Å; V10-H50 HydrophobicContact CG1-CB 4.01Å; V10-H50 HydrophobicContact CG2-CB 4.26Å; N14-H50 PolarHBondContact ND2-O 2.56Å; N14-H50 PolarHBondContact OD1-O 3.16Å; T48-H50 PolarHBondContact O-N 2.84Å; T48-H50 VanDerWaalsContact O-N 3.08Å
51	F	95.2	Very high	94	Very high	15 Å²	15	52 Å²	52	7%	0.066	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-10.1	-178.5	-50.2	-47.5	0	0	0	113.7	V10 T13 L17 W40 T48 A49 D53 N54 L55	V10-F51 HydrophobicContact CB-CE1 4.32Å; V10-F51 HydrophobicContact CG1-CE1 4.18Å; V10-F51 HydrophobicContact CG2-CE1 4.14Å; V10-F51 HydrophobicContact CG2-CZ 4.19Å; T13-F51 HydrophobicContact CG2-CD1 3.87Å; T13-F51 HydrophobicContact CG2-CE1 3.54Å; T13-F51 HydrophobicContact CG2-CE2 4.34Å; T13-F51 HydrophobicContact CG2-CG 4.42Å; T13-F51 HydrophobicContact CG2-CZ 3.8Å; L17-F51 HydrophobicContact CD1-CB 4.04Å; W40-F51 HydrophobicContact CH2-CB 3.74Å; W40-F51 AromaticContact CH2-CD2 3.92Å; W40-F51 HydrophobicContact CH2-CD2 3.92Å; W40-F51 AromaticContact CH2-CG 3.95Å; W40-F51 HydrophobicContact CH2-CG 3.95Å; W40-F51 HydrophobicContact CZ2-CB 4.37Å; W40-F51 AromaticContact CZ2-CD2 3.79Å; W40-F51 HydrophobicContact CZ2-CD2 3.79Å; W40-F51 HydrophobicContact CZ2-CE2 4.28Å; W40-F51 HydrophobicContact CZ2-CG 4.08Å; T48-F51 PolarHBondContact O-N 3.03Å; T48-F51 WeakPolarHBondContact OG1-CD2 3.39Å; A49-F51 PolarHBondContact O-N 2.6Å; F51-D53 PolarHBondContact O-N 2.82Å; F51-N54 PolarHBondContact O-N 3.34Å; F51-L55 WeakPolarHBondContact O-CB 3.48Å; F51-L55 PolarHBondContact O-N 3.2Å
52	E	94.5	Very high	94	Very high	21 Å²	21	52 Å²	52	10%	0.098	26%	0.263	C	S	.	.	H	α-helix	trans	-55.4	-47.7	-168.5	177.8	164.4	163.1	0	0	113	T48 L55 M56 L90 S91 A94	T48-E52 PolarHBondContact O-N 2.77Å; E52-L55 PolarHBondContact O-N 3.48Å; E52-M56 HydrophobicContact CG-CG 4.31Å; E52-M56 WeakPolarHBondContact O-CB 3.34Å; E52-M56 VanDerWaalsContact O-CG 3.23Å; E52-M56 WeakPolarHBondContact O-CG 3.34Å; E52-M56 PolarHBondContact O-N 3.27Å; E52-L90 HydrophobicContact CB-CD2 4.14Å; E52-L90 HydrophobicContact CG-CD2 3.93Å; E52-L90 VanDerWaalsContact OE2-CA 3.31Å; E52-L90 WeakPolarHBondContact OE2-CA 3.13Å; E52-S91 VanDerWaalsContact CD-N 3.32Å; E52-S91 WeakPolarHBondContact OE1-CB 3.44Å; E52-S91 PolarHBondContact OE1-N 2.74Å; E52-S91 PolarHBondContact OE1-OG 3.03Å; E52-S91 PolarHBondContact OE2-N 2.91Å; E52-A94 HydrophobicContact CG-CB 4.34Å; E52-A94 WeakPolarHBondContact OE1-CB 3.47Å
53	D	93.1	Very high	94	Very high	123 Å²	123	46.2 Å²	46.2	66%	0.658	24%	0.236	S	C	*	.	H	α-helix	trans	-63.5	-48.3	-178.7	-70.7	-35.8	0	0	0	112.1	F51 L55 M56 M57	F51-D53 PolarHBondContact O-N 2.82Å; D53-L55 PolarHBondContact O-N 3.36Å; D53-M56 PolarHBondContact O-N 3.22Å; D53-M57 VanDerWaalsContact O-CG 3.3Å; D53-M57 WeakPolarHBondContact O-CG 3.29Å; D53-M57 PolarHBondContact O-N 2.54Å
54	N	94.5	Very high	94	Very high	52 Å²	52	48 Å²	48	28%	0.278	25%	0.245	S	C	.	.	H	α-helix	trans	-67.8	-37.2	-179.4	-71.6	-55	0	0	0	112.3	N14 L17 F51 M57 A58	N14-N54 VanDerWaalsContact CG-ND2 3.34Å; N14-N54 PolarHBondContact OD1-ND2 2.94Å; L17-N54 HydrophobicContact CB-CB 3.87Å; L17-N54 HydrophobicContact CD1-CB 3.97Å; F51-N54 PolarHBondContact O-N 3.34Å; N54-M57 PolarHBondContact O-N 3.18Å; N54-A58 WeakPolarHBondContact O-CB 3.27Å; N54-A58 PolarHBondContact O-N 2.97Å
55	L	95.9	Very high	94.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.8	-46.7	170.3	171.5	57.1	0	0	0	111	L37 W40 C41 F47 F51 E52 D53 M57 A58 L59	L37-L55 HydrophobicContact CD1-CD1 4.3Å; W40-L55 HydrophobicContact CZ3-CB 4.3Å; W40-L55 HydrophobicContact CZ3-CD1 4.09Å; W40-L55 HydrophobicContact CZ3-CD2 4.17Å; W40-L55 HydrophobicContact CZ3-CG 4.4Å; C41-L55 VanDerWaalsContact SG-CD1 3.53Å; F47-L55 HydrophobicContact CD1-CD2 4.08Å; F47-L55 HydrophobicContact CE1-CD2 4Å; F51-L55 WeakPolarHBondContact O-CB 3.48Å; F51-L55 PolarHBondContact O-N 3.2Å; E52-L55 PolarHBondContact O-N 3.48Å; D53-L55 PolarHBondContact O-N 3.36Å; L55-M57 PolarHBondContact O-N 3.14Å; L55-A58 PolarHBondContact O-N 3.13Å; L55-L59 HydrophobicContact CD1-CD1 3.78Å; L55-L59 HydrophobicContact CD1-CG 3.91Å; L55-L59 HydrophobicContact CG-CD1 3.92Å; L55-L59 HydrophobicContact CG-CG 4.46Å; L55-L59 WeakPolarHBondContact O-CB 3.22Å; L55-L59 VanDerWaalsContact O-CG 3.28Å; L55-L59 WeakPolarHBondContact O-CG 3.3Å; L55-L59 PolarHBondContact O-N 3.28Å
56	M	97.3	Very high	94	Very high	16 Å²	16	36.8 Å²	36.8	8%	0.079	20%	0.199	C	C	.	.	H	α-helix	trans	-63.8	-39.1	178.5	-74.9	-57.8	-56	0	0	112.3	E52 D53 L59 E60 A94 R97 I98 W101	E52-M56 HydrophobicContact CG-CG 4.31Å; E52-M56 WeakPolarHBondContact O-CB 3.34Å; E52-M56 VanDerWaalsContact O-CG 3.23Å; E52-M56 WeakPolarHBondContact O-CG 3.34Å; E52-M56 PolarHBondContact O-N 3.27Å; D53-M56 PolarHBondContact O-N 3.22Å; M56-L59 PolarHBondContact O-N 3.36Å; M56-L59 HydrophobicContact SD-CD1 4.2Å; M56-E60 WeakPolarHBondContact O-CB 3.19Å; M56-E60 PolarHBondContact O-N 3.4Å; M56-A94 HydrophobicContact CE-CB 4.26Å; M56-A94 HydrophobicContact CG-CB 3.9Å; M56-A94 HydrophobicContact SD-CB 3.67Å; M56-R97 HydrophobicContact CE-CB 3.94Å; M56-R97 HydrophobicContact CE-CG 4.17Å; M56-I98 HydrophobicContact CE-CG1 4.39Å; M56-I98 HydrophobicContact SD-CD1 3.72Å; M56-I98 HydrophobicContact SD-CG1 3.96Å; M56-W101 HydrophobicContact CE-CH2 3.77Å; M56-W101 HydrophobicContact CE-CZ3 3.5Å; M56-W101 HydrophobicContact SD-CZ3 4.44Å
57	M	94.4	Very high	93.7	Very high	69 Å²	69	39.3 Å²	39.3	34%	0.34	21%	0.214	S	C	.	.	H	α-helix	trans	-67.9	-31.5	175	-68.8	-171.1	95.3	0	0	113.2	R21 D53 N54 L55 A61	R21-M57 WeakPolarHBondContact CD-O 3.2Å; R21-M57 PolarHBondContact NE-O 3.06Å; R21-M57 VanDerWaalsContact NE-O 3.12Å; D53-M57 VanDerWaalsContact O-CG 3.3Å; D53-M57 WeakPolarHBondContact O-CG 3.29Å; D53-M57 PolarHBondContact O-N 2.54Å; N54-M57 PolarHBondContact O-N 3.18Å; L55-M57 PolarHBondContact O-N 3.14Å; M57-A61 PolarHBondContact O-N 3.36Å
58	A	95.8	Very high	93.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-74.4	-39.7	173.6	0	0	0	0	0	112.2	R21 L24 L37 N54 L55 E60 A61 A62	R21-A58 HydrophobicContact CB-CB 4.06Å; L24-A58 HydrophobicContact CD1-CB 4.41Å; L37-A58 HydrophobicContact CD2-CB 3.71Å; N54-A58 WeakPolarHBondContact O-CB 3.27Å; N54-A58 PolarHBondContact O-N 2.97Å; L55-A58 PolarHBondContact O-N 3.13Å; A58-E60 VanDerWaalsContact C-N 3.33Å; A58-E60 PolarHBondContact O-N 3.37Å; A58-A61 PolarHBondContact O-N 3.01Å; A58-A62 PolarHBondContact O-N 2.9Å
59	L	96.2	Very high	92.6	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-65.8	-34.1	174.4	-70.6	169.7	0	0	0	113	L55 M56 A62 M63 L79 C83 I98 W101	L55-L59 HydrophobicContact CD1-CD1 3.78Å; L55-L59 HydrophobicContact CD1-CG 3.91Å; L55-L59 HydrophobicContact CG-CD1 3.92Å; L55-L59 HydrophobicContact CG-CG 4.46Å; L55-L59 WeakPolarHBondContact O-CB 3.22Å; L55-L59 VanDerWaalsContact O-CG 3.28Å; L55-L59 WeakPolarHBondContact O-CG 3.3Å; L55-L59 PolarHBondContact O-N 3.28Å; M56-L59 PolarHBondContact O-N 3.36Å; M56-L59 HydrophobicContact SD-CD1 4.2Å; L59-A62 PolarHBondContact O-N 3.22Å; L59-M63 WeakPolarHBondContact O-CB 3.46Å; L59-M63 WeakPolarHBondContact O-CG 3.3Å; L59-M63 PolarHBondContact O-N 2.91Å; L59-L79 HydrophobicContact CD2-CD1 3.84Å; L59-L79 HydrophobicContact CD2-CD2 3.96Å; L59-L79 HydrophobicContact CD2-CG 3.63Å; L59-C83 HydrophobicContact CD1-CB 4.06Å; L59-C83 HydrophobicContact CD2-CB 4.39Å; L59-C83 VanDerWaalsContact CD2-SG 3.51Å; L59-I98 HydrophobicContact CD1-CD1 4.14Å; L59-I98 HydrophobicContact CD1-CG1 4.22Å; L59-W101 HydrophobicContact CB-CE3 4.45Å; L59-W101 HydrophobicContact CB-CH2 4.27Å; L59-W101 HydrophobicContact CB-CZ3 3.69Å
60	E	95.9	Very high	92.4	Very high	71 Å²	71	48.6 Å²	48.6	33%	0.332	24%	0.239	S	C	.	.	H	α-helix	trans	-63.1	-46.4	174	-164.9	131.2	-101.9	0	0	110.9	M56 A58 M63 D64 R97 W101	M56-E60 WeakPolarHBondContact O-CB 3.19Å; M56-E60 PolarHBondContact O-N 3.4Å; A58-E60 VanDerWaalsContact C-N 3.33Å; A58-E60 PolarHBondContact O-N 3.37Å; E60-M63 PolarHBondContact O-N 3.08Å; E60-D64 WeakPolarHBondContact O-CB 3.48Å; E60-D64 PolarHBondContact O-N 3.47Å; E60-R97 IonicContact OE1-CZ 2.77Å; E60-R97 IonicContact OE1-NH1 2.75Å; E60-R97 PolarHBondContact OE1-NH1 3.4Å; E60-R97 IonicContact OE2-NH1 3.19Å; E60-R97 PolarHBondContact OE2-NH1 3.47Å; E60-W101 HydrophobicContact CB-CH2 4Å; E60-W101 HydrophobicContact CB-CZ2 4.21Å; E60-W101 HydrophobicContact CG-CH2 4.49Å; E60-W101 HydrophobicContact CG-CZ2 4.26Å; E60-W101 WeakPolarHBondContact OE1-CZ2 3.1Å
61	A	95.1	Very high	92.3	Very high	9 Å²	9	45.3 Å²	45.3	7%	0.074	22%	0.223	C	C	.	.	H	α-helix	trans	-60.2	-47.3	172.4	0	0	0	0	0	112	R21 L24 M57 A58 M63 D64 Y65	R21-A61 HydrophobicContact CG-CB 4.14Å; L24-A61 HydrophobicContact CB-CB 4.14Å; M57-A61 PolarHBondContact O-N 3.36Å; A58-A61 PolarHBondContact O-N 3.01Å; A61-M63 VanDerWaalsContact C-N 3.28Å; A61-M63 PolarHBondContact O-N 2.92Å; A61-D64 PolarHBondContact O-N 3.38Å; A61-Y65 WeakPolarHBondContact O-CD2 3.26Å; A61-Y65 PolarHBondContact O-N 3.41Å
62	A	95.4	Very high	91.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57.1	-40.2	177.1	0	0	0	0	0	112.7	L24 A58 L59 G66 T76 L79	L24-A62 HydrophobicContact CD1-CB 4.28Å; L24-A62 HydrophobicContact CD2-CB 4.26Å; A58-A62 PolarHBondContact O-N 2.9Å; L59-A62 PolarHBondContact O-N 3.22Å; A62-G66 WeakPolarHBondContact O-CA 3.26Å; A62-G66 PolarHBondContact O-N 3.19Å; A62-T76 HydrophobicContact CB-CG2 4.49Å; A62-T76 WeakPolarHBondContact O-CG2 3.42Å; A62-L79 HydrophobicContact CB-CD2 3.55Å
63	M	94.8	Very high	91.8	Very high	5 Å²	5	49.5 Å²	49.5	3%	0.025	24%	0.243	C	C	.	.	H	α-helix	trans	-69.5	-42.2	176.3	-79.9	-63.3	-50.8	0	0	113.4	L59 E60 A61 T67 V80 W101 Q104 M105	L59-M63 WeakPolarHBondContact O-CB 3.46Å; L59-M63 WeakPolarHBondContact O-CG 3.3Å; L59-M63 PolarHBondContact O-N 2.91Å; E60-M63 PolarHBondContact O-N 3.08Å; A61-M63 VanDerWaalsContact C-N 3.28Å; A61-M63 PolarHBondContact O-N 2.92Å; M63-T67 HydrophobicContact CE-CG2 4.34Å; M63-T67 WeakPolarHBondContact O-CG2 3.41Å; M63-T67 PolarHBondContact O-OG1 3.46Å; M63-V80 HydrophobicContact CG-CG2 4.25Å; M63-V80 HydrophobicContact SD-CG2 3.76Å; M63-W101 HydrophobicContact CE-CB 4.21Å; M63-W101 HydrophobicContact CE-CG 4.15Å; M63-W101 HydrophobicContact CG-CB 4.19Å; M63-W101 HydrophobicContact CG-CD2 3.79Å; M63-W101 HydrophobicContact CG-CE3 4.32Å; M63-W101 HydrophobicContact CG-CG 3.76Å; M63-W101 HydrophobicContact SD-CB 3.9Å; M63-W101 HydrophobicContact SD-CG 4.05Å; M63-Q104 HydrophobicContact CE-CG 4.4Å; M63-M105 HydrophobicContact CE-CG 4.15Å; M63-M105 HydrophobicContact CE-SD 3.91Å; M63-M105 HydrophobicContact SD-CG 3.88Å; M63-M105 HydrophobicContact SD-SD 3.98Å
64	D	92.6	Very high	91.7	Very high	92 Å²	92	48 Å²	48	49%	0.492	23%	0.233	S	C	.	.	H	α-helix	trans	-70.9	-32.7	-177.1	-85	-7.6	0	0	0	113.1	E60 A61 R68	E60-D64 WeakPolarHBondContact O-CB 3.48Å; E60-D64 PolarHBondContact O-N 3.47Å; A61-D64 PolarHBondContact O-N 3.38Å; D64-R68 WeakPolarHBondContact O-CG 3.4Å; D64-R68 PolarHBondContact O-NE 3.16Å; D64-R68 PolarHBondContact O-NH2 3.3Å
65	Y	92.6	Very high	91.7	Very high	52 Å²	52	47.8 Å²	47.8	20%	0.204	23%	0.231	C	C	.	.	H	α-helix	trans	-97.8	-42.9	-179.8	-71.2	-90.1	0	0	0	112	L24 I25 A61 T67 R68 Y71	L24-Y65 WeakPolarHBondContact O-CB 3.14Å; I25-Y65 HydrophobicContact CB-CE2 4.4Å; I25-Y65 HydrophobicContact CG1-CD2 4.38Å; I25-Y65 HydrophobicContact CG1-CE2 3.94Å; I25-Y65 HydrophobicContact CG2-CE1 4.05Å; I25-Y65 HydrophobicContact CG2-CE2 4.31Å; A61-Y65 WeakPolarHBondContact O-CD2 3.26Å; A61-Y65 PolarHBondContact O-N 3.41Å; Y65-T67 PolarHBondContact O-N 3.17Å; Y65-R68 WeakPolarHBondContact O-CB 3.42Å; Y65-R68 WeakPolarHBondContact O-CG 3.49Å; Y65-R68 PolarHBondContact O-N 2.88Å; Y65-Y71 HydrophobicContact CD1-CE1 4.34Å; Y65-Y71 HydrophobicContact CD1-CE2 4.28Å; Y65-Y71 AromaticContact CD1-CZ 3.81Å; Y65-Y71 HydrophobicContact CG-CE1 4.49Å; Y65-Y71 VanDerWaalsContact O-CB 3.3Å; Y65-Y71 WeakPolarHBondContact O-CB 3.36Å; Y65-Y71 WeakPolarHBondContact O-CD2 3.44Å
66	G	89.8	Confident	91.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-1.2	178.1	0	0	0	0	0	116.6	A62 Y73 T76	A62-G66 WeakPolarHBondContact O-CA 3.26Å; A62-G66 PolarHBondContact O-N 3.19Å; G66-Y73 WeakPolarHBondContact O-CA 3.24Å; G66-T76 VanDerWaalsContact CA-OG1 3.26Å; G66-T76 WeakPolarHBondContact CA-OG1 3.13Å
67	T	86.6	Confident	91.6	Very high	55 Å²	55	48.5 Å²	48.5	34%	0.337	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	4.7	171.2	58.5	0	0	0	0	113.9	M63 Y65 M105 L108	M63-T67 HydrophobicContact CE-CG2 4.34Å; M63-T67 WeakPolarHBondContact O-CG2 3.41Å; M63-T67 PolarHBondContact O-OG1 3.46Å; Y65-T67 PolarHBondContact O-N 3.17Å; T67-M105 HydrophobicContact CG2-CE 4.37Å; T67-M105 HydrophobicContact CG2-SD 3.76Å; T67-L108 HydrophobicContact CG2-CD2 4.04Å
68	R	88.8	Confident	91.6	Very high	121 Å²	121	46.8 Å²	46.8	46%	0.457	23%	0.234	S	C	.	.	S	Bend	trans	-89.6	168.3	176.8	-57.4	-177.7	-168.8	-172	8.6	112	D64 Y65 Y71	D64-R68 WeakPolarHBondContact O-CG 3.4Å; D64-R68 PolarHBondContact O-NE 3.16Å; D64-R68 PolarHBondContact O-NH2 3.3Å; Y65-R68 WeakPolarHBondContact O-CB 3.42Å; Y65-R68 WeakPolarHBondContact O-CG 3.49Å; Y65-R68 PolarHBondContact O-N 2.88Å; R68-Y71 HydrophobicContact CB-CD2 3.91Å; R68-Y71 HydrophobicContact CB-CE2 4.41Å
69	E	76	Confident	91.7	Very high	67 Å²	67	46.8 Å²	46.8	31%	0.313	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	145.1	168.4	-65.3	174	-121.2	0	0	110.4	Y71 K116 R117	E69-Y71 VanDerWaalsContact C-N 3.31Å; E69-Y71 WeakPolarHBondContact O-CD2 3.19Å; E69-Y71 PolarHBondContact O-N 2.67Å; E69-K116 HydrophobicContact CG-CG 4.44Å; E69-K116 WeakPolarHBondContact OE1-CA 3.42Å; E69-K116 WeakPolarHBondContact OE1-CB 3.25Å; E69-K116 WeakPolarHBondContact OE1-CG 3.46Å; E69-K116 WeakPolarHBondContact OE2-CG 3.45Å; E69-K116 IonicContact OE2-NZ 2.85Å; E69-K116 PolarHBondContact OE2-NZ 3.04Å; E69-R117 PolarHBondContact OE1-N 3.15Å
70	N	83.6	Confident	91.7	Very high	145 Å²	145	46.8 Å²	46.8	78%	0.775	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.1	2.4	-176.7	-46.9	-27.1	0	0	0	117	V27	V27-N70 HydrophobicContact CG1-CB 4.48Å
71	Y	90.4	Very high	91.7	Very high	37 Å²	37	44.3 Å²	44.3	15%	0.145	23%	0.228	C	C	.	.	S	Bend	trans	-102.3	151.4	176.1	-76.7	-94.4	0	0	0	113.1	I25 V27 F30 Y65 R68 E69 Y73	I25-Y71 PolarHBondContact O-OH 3.41Å; V27-Y71 HydrophobicContact CG2-CD2 4.41Å; V27-Y71 HydrophobicContact CG2-CE1 4.25Å; V27-Y71 HydrophobicContact CG2-CE2 3.62Å; V27-Y71 WeakPolarHBondContact CG2-OH 3.45Å; V27-Y71 PolarHBondContact N-OH 3.4Å; F30-Y71 HydrophobicContact CB-CD1 3.95Å; F30-Y71 HydrophobicContact CB-CE1 3.91Å; F30-Y71 AromaticContact CD1-CD1 3.91Å; F30-Y71 HydrophobicContact CD1-CD1 3.91Å; F30-Y71 AromaticContact CD2-CD1 3.48Å; F30-Y71 HydrophobicContact CD2-CD1 3.48Å; F30-Y71 VanDerWaalsContact CD2-CD1 3.48Å; F30-Y71 AromaticContact CD2-CE1 3.61Å; F30-Y71 HydrophobicContact CD2-CE1 3.61Å; F30-Y71 HydrophobicContact CE1-CD1 4.26Å; F30-Y71 AromaticContact CE2-CD1 3.86Å; F30-Y71 HydrophobicContact CE2-CD1 3.86Å; F30-Y71 HydrophobicContact CE2-CE1 4.27Å; F30-Y71 AromaticContact CG-CD1 3.51Å; F30-Y71 HydrophobicContact CG-CD1 3.51Å; F30-Y71 AromaticContact CG-CE1 3.84Å; F30-Y71 HydrophobicContact CG-CE1 3.84Å; F30-Y71 HydrophobicContact CZ-CD1 4.24Å; Y65-Y71 HydrophobicContact CD1-CE1 4.34Å; Y65-Y71 HydrophobicContact CD1-CE2 4.28Å; Y65-Y71 AromaticContact CD1-CZ 3.81Å; Y65-Y71 HydrophobicContact CG-CE1 4.49Å; Y65-Y71 VanDerWaalsContact O-CB 3.3Å; Y65-Y71 WeakPolarHBondContact O-CB 3.36Å; Y65-Y71 WeakPolarHBondContact O-CD2 3.44Å; R68-Y71 HydrophobicContact CB-CD2 3.91Å; R68-Y71 HydrophobicContact CB-CE2 4.41Å; E69-Y71 VanDerWaalsContact C-N 3.31Å; E69-Y71 WeakPolarHBondContact O-CD2 3.19Å; E69-Y71 PolarHBondContact O-N 2.67Å; Y71-Y73 PolarHBondContact O-N 3.41Å
72	D	87.6	Confident	91.7	Very high	68 Å²	68	44.5 Å²	44.5	36%	0.364	23%	0.23	S	C	.	.			trans	-78	95.4	175.8	-164.1	-40.1	0	0	0	111.8	M74 L75 T76	D72-M74 VanDerWaalsContact C-N 3.27Å; D72-M74 PolarHBondContact O-N 3.1Å; D72-M74 VanDerWaalsContact OD1-CA 3.31Å; D72-M74 WeakPolarHBondContact OD1-CA 3.28Å; D72-M74 WeakPolarHBondContact OD1-CB 3.34Å; D72-M74 PolarHBondContact OD1-N 2.82Å; D72-L75 HydrophobicContact CB-CB 4.18Å; D72-L75 HydrophobicContact CB-CD1 3.91Å; D72-L75 HydrophobicContact CB-CG 4.05Å; D72-L75 PolarHBondContact OD1-N 2.91Å; D72-T76 PolarHBondContact O-N 2.9Å; D72-T76 PolarHBondContact O-OG1 2.79Å
73	Y	91.8	Very high	91.7	Very high	56 Å²	56	44.5 Å²	44.5	22%	0.22	23%	0.23	C	C	.	.	H	α-helix	trans	-57.9	-34	173.1	177.8	-92.6	0	0	0	114.2	G66 Y71 H77 M105 L108 K109	G66-Y73 WeakPolarHBondContact O-CA 3.24Å; Y71-Y73 PolarHBondContact O-N 3.41Å; Y73-H77 WeakPolarHBondContact O-CB 3.42Å; Y73-H77 PolarHBondContact O-N 2.92Å; Y73-M105 HydrophobicContact CD2-CE 3.69Å; Y73-M105 HydrophobicContact CD2-SD 4.46Å; Y73-M105 HydrophobicContact CE1-CE 4.46Å; Y73-M105 HydrophobicContact CE2-CE 3.28Å; Y73-M105 HydrophobicContact CE2-SD 3.64Å; Y73-M105 HydrophobicContact CG-CE 4.42Å; Y73-M105 WeakPolarHBondContact OH-CA 3.47Å; Y73-M105 PolarHBondContact OH-O 3.47Å; Y73-L108 HydrophobicContact CE2-CB 3.85Å; Y73-L108 HydrophobicContact CE2-CD2 3.95Å; Y73-L108 WeakPolarHBondContact OH-CB 3.39Å; Y73-K109 HydrophobicContact CE1-CB 4.17Å; Y73-K109 PolarHBondContact OH-N 3.49Å; Y73-K109 VanDerWaalsContact OH-N 3.13Å
74	M	91.8	Very high	91.8	Very high	92 Å²	92	46.5 Å²	46.5	45%	0.453	24%	0.238	S	C	.	.	H	α-helix	trans	-77.8	-37.7	-176.6	-83.4	-56.7	-41.7	0	0	112.4	D72 T76 H77 G78 K109	D72-M74 VanDerWaalsContact C-N 3.27Å; D72-M74 PolarHBondContact O-N 3.1Å; D72-M74 VanDerWaalsContact OD1-CA 3.31Å; D72-M74 WeakPolarHBondContact OD1-CA 3.28Å; D72-M74 WeakPolarHBondContact OD1-CB 3.34Å; D72-M74 PolarHBondContact OD1-N 2.82Å; M74-T76 VanDerWaalsContact C-N 3.32Å; M74-H77 PolarHBondContact O-N 3.27Å; M74-G78 PolarHBondContact O-N 3.07Å; M74-K109 HydrophobicContact SD-CD 4.3Å
75	L	94.4	Very high	92	Very high	47 Å²	47	46.2 Å²	46.2	25%	0.246	24%	0.24	C	C	.	.	H	α-helix	trans	-60.2	-45.4	169.3	-68.5	178.8	0	0	0	110.5	P31 C34 D72 H77 G78 L79	P31-L75 HydrophobicContact CB-CD1 3.84Å; C34-L75 HydrophobicContact CB-CB 4.29Å; C34-L75 VanDerWaalsContact SG-C 3.59Å; D72-L75 HydrophobicContact CB-CB 4.18Å; D72-L75 HydrophobicContact CB-CD1 3.91Å; D72-L75 HydrophobicContact CB-CG 4.05Å; D72-L75 PolarHBondContact OD1-N 2.91Å; L75-H77 PolarHBondContact O-N 2.89Å; L75-G78 WeakPolarHBondContact O-CA 3.37Å; L75-G78 PolarHBondContact O-N 3.42Å; L75-L79 PolarHBondContact O-N 3.37Å
76	T	95.1	Very high	92	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.3	-43.5	176.2	-47.1	0	0	0	0	112.3	F30 A62 G66 D72 M74 G78 L79 V80 M105	F30-T76 VanDerWaalsContact CZ-OG1 3.3Å; F30-T76 WeakPolarHBondContact CZ-OG1 3.39Å; A62-T76 HydrophobicContact CB-CG2 4.49Å; A62-T76 WeakPolarHBondContact O-CG2 3.42Å; G66-T76 VanDerWaalsContact CA-OG1 3.26Å; G66-T76 WeakPolarHBondContact CA-OG1 3.13Å; D72-T76 PolarHBondContact O-N 2.9Å; D72-T76 PolarHBondContact O-OG1 2.79Å; M74-T76 VanDerWaalsContact C-N 3.32Å; T76-G78 VanDerWaalsContact C-N 3.29Å; T76-G78 PolarHBondContact O-N 3.24Å; T76-L79 PolarHBondContact O-N 2.88Å; T76-V80 WeakPolarHBondContact O-CG2 3.35Å; T76-V80 PolarHBondContact O-N 2.85Å; T76-V80 VanDerWaalsContact O-N 3.09Å; T76-M105 HydrophobicContact CG2-CE 3.66Å
77	H	94.6	Very high	92.2	Very high	32 Å²	32	49.3 Å²	49.3	15%	0.148	25%	0.253	C	S	.	.	H	α-helix	trans	-63.9	-34	173.5	-176.5	-50.1	0	0	0	112	Y73 M74 L75 G81 M105	Y73-H77 WeakPolarHBondContact O-CB 3.42Å; Y73-H77 PolarHBondContact O-N 2.92Å; M74-H77 PolarHBondContact O-N 3.27Å; L75-H77 PolarHBondContact O-N 2.89Å; H77-G81 PolarHBondContact O-N 3.2Å; H77-G81 VanDerWaalsContact O-N 3.12Å; H77-M105 HydrophobicContact CB-CE 4.12Å
78	G	95.1	Very high	92.5	Very high	32 Å²	32	55.2 Å²	55.2	33%	0.33	27%	0.274	S	S	.	.	H	α-helix	trans	-64.9	-53.8	174.4	0	0	0	0	0	112.1	M74 L75 T76 V80 G81 A82	M74-G78 PolarHBondContact O-N 3.07Å; L75-G78 WeakPolarHBondContact O-CA 3.37Å; L75-G78 PolarHBondContact O-N 3.42Å; T76-G78 VanDerWaalsContact C-N 3.29Å; T76-G78 PolarHBondContact O-N 3.24Å; G78-V80 PolarHBondContact O-N 3.4Å; G78-G81 WeakPolarHBondContact O-CA 3.31Å; G78-G81 PolarHBondContact O-N 3.03Å; G78-A82 PolarHBondContact O-N 3.4Å
79	L	96.8	Very high	92.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-52.8	-54.2	177.5	174.8	54.8	0	0	0	112.3	L37 T38 C41 L59 A62 L75 T76 G81 A82 C83	L37-L79 HydrophobicContact CB-CD1 4.18Å; L37-L79 HydrophobicContact CD2-CD1 4.08Å; L37-L79 HydrophobicContact CD2-CD2 3.95Å; L37-L79 HydrophobicContact CG-CD1 3.8Å; L37-L79 HydrophobicContact CG-CD2 4.46Å; T38-L79 WeakPolarHBondContact OG1-CA 3.43Å; T38-L79 VanDerWaalsContact OG1-CB 3.31Å; T38-L79 WeakPolarHBondContact OG1-CB 3.49Å; C41-L79 HydrophobicContact CB-CD1 4.41Å; L59-L79 HydrophobicContact CD2-CD1 3.84Å; L59-L79 HydrophobicContact CD2-CD2 3.96Å; L59-L79 HydrophobicContact CD2-CG 3.63Å; A62-L79 HydrophobicContact CB-CD2 3.55Å; L75-L79 PolarHBondContact O-N 3.37Å; T76-L79 PolarHBondContact O-N 2.88Å; L79-G81 PolarHBondContact O-N 3.07Å; L79-A82 PolarHBondContact O-N 3.4Å; L79-A82 VanDerWaalsContact O-N 3.17Å; L79-C83 PolarHBondContact O-N 2.62Å; L79-C83 PolarHBondContact O-SG 3.13Å; L79-C83 VanDerWaalsContact O-SG 3.37Å
80	V	96.6	Very high	93.5	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.012	26%	0.261	C	S	.	.	H	α-helix	trans	-65.3	-28.4	179.5	177.1	0	0	0	0	111.5	M63 T76 G78 F84 W101	M63-V80 HydrophobicContact CG-CG2 4.25Å; M63-V80 HydrophobicContact SD-CG2 3.76Å; T76-V80 WeakPolarHBondContact O-CG2 3.35Å; T76-V80 PolarHBondContact O-N 2.85Å; T76-V80 VanDerWaalsContact O-N 3.09Å; G78-V80 PolarHBondContact O-N 3.4Å; V80-F84 VanDerWaalsContact O-CB 3.24Å; V80-F84 WeakPolarHBondContact O-CB 3.32Å; V80-F84 PolarHBondContact O-N 3.31Å; V80-W101 HydrophobicContact CG1-CB 3.96Å
81	G	95.9	Very high	94	Very high	18 Å²	18	46.8 Å²	46.8	19%	0.186	24%	0.241	C	C	.	.	H	α-helix	trans	-66	-45.8	171.6	0	0	0	0	0	113.4	H77 G78 L79 F84 T85	H77-G81 PolarHBondContact O-N 3.2Å; H77-G81 VanDerWaalsContact O-N 3.12Å; G78-G81 WeakPolarHBondContact O-CA 3.31Å; G78-G81 PolarHBondContact O-N 3.03Å; L79-G81 PolarHBondContact O-N 3.07Å; G81-F84 WeakPolarHBondContact O-CB 3.43Å; G81-F84 PolarHBondContact O-N 3.24Å; G81-T85 PolarHBondContact O-N 3.05Å
82	A	95.4	Very high	94	Very high	14 Å²	14	53.5 Å²	53.5	12%	0.116	27%	0.27	C	S	.	.	H	α-helix	trans	-63.5	-43.3	175.3	0	0	0	0	0	111.4	C41 Q42 G78 L79 F84 T85	C41-A82 HydrophobicContact CB-CB 4.12Å; Q42-A82 HydrophobicContact CG-CB 4.5Å; G78-A82 PolarHBondContact O-N 3.4Å; L79-A82 PolarHBondContact O-N 3.4Å; L79-A82 VanDerWaalsContact O-N 3.17Å; A82-F84 VanDerWaalsContact C-N 3.26Å; A82-F84 PolarHBondContact O-N 3.31Å; A82-T85 PolarHBondContact O-N 2.98Å; A82-T85 PolarHBondContact O-OG1 2.9Å
83	C	96.1	Very high	94.2	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64.8	-31.2	173.9	-59.8	0	0	0	0	112.6	C41 F47 L59 L79 R87 I98	C41-C83 PolarHBondContact SG-SG 3.48Å; F47-C83 HydrophobicContact CE1-CB 4.15Å; F47-C83 HydrophobicContact CZ-CB 4.48Å; L59-C83 HydrophobicContact CD1-CB 4.06Å; L59-C83 HydrophobicContact CD2-CB 4.39Å; L59-C83 VanDerWaalsContact CD2-SG 3.51Å; L79-C83 PolarHBondContact O-N 2.62Å; L79-C83 PolarHBondContact O-SG 3.13Å; L79-C83 VanDerWaalsContact O-SG 3.37Å; C83-R87 WeakPolarHBondContact O-CB 3.47Å; C83-R87 PolarHBondContact O-N 2.77Å; C83-I98 HydrophobicContact CB-CD1 4.23Å; C83-I98 HydrophobicContact CB-CG2 4.11Å
84	F	96.7	Very high	94.2	Very high	47 Å²	47	52.5 Å²	52.5	21%	0.206	28%	0.275	C	S	.	.	H	α-helix	trans	-69	-31.2	178.9	-178	-95.6	0	0	0	113.4	V80 G81 A82 R87 I98 Y102	V80-F84 VanDerWaalsContact O-CB 3.24Å; V80-F84 WeakPolarHBondContact O-CB 3.32Å; V80-F84 PolarHBondContact O-N 3.31Å; G81-F84 WeakPolarHBondContact O-CB 3.43Å; G81-F84 PolarHBondContact O-N 3.24Å; A82-F84 VanDerWaalsContact C-N 3.26Å; A82-F84 PolarHBondContact O-N 3.31Å; F84-R87 VanDerWaalsContact CE1-NH1 3.31Å; F84-R87 VanDerWaalsContact CZ-CZ 3.47Å; F84-R87 VanDerWaalsContact CZ-NH1 3.31Å; F84-R87 WeakPolarHBondContact O-CD 3.13Å; F84-R87 WeakPolarHBondContact O-CG 3.38Å; F84-R87 PolarHBondContact O-NH1 2.93Å; F84-I98 HydrophobicContact CB-CG2 4.15Å; F84-Y102 HydrophobicContact CB-CD2 3.85Å; F84-Y102 HydrophobicContact CB-CE2 4.43Å; F84-Y102 HydrophobicContact CB-CG 3.91Å; F84-Y102 AromaticContact CD1-CD1 3.83Å; F84-Y102 HydrophobicContact CD1-CD1 3.83Å; F84-Y102 HydrophobicContact CD1-CD2 4.3Å; F84-Y102 AromaticContact CD1-CE1 3.84Å; F84-Y102 HydrophobicContact CD1-CE1 3.84Å; F84-Y102 HydrophobicContact CD1-CE2 4.33Å; F84-Y102 HydrophobicContact CD1-CG 4.06Å; F84-Y102 VanDerWaalsContact CD2-CB 3.46Å; F84-Y102 AromaticContact CD2-CD1 3.6Å; F84-Y102 HydrophobicContact CD2-CD1 3.6Å; F84-Y102 HydrophobicContact CD2-CD2 4.34Å; F84-Y102 HydrophobicContact CD2-CE1 4.44Å; F84-Y102 AromaticContact CD2-CG 3.54Å; F84-Y102 HydrophobicContact CD2-CG 3.54Å; F84-Y102 AromaticContact CE1-CD1 3.76Å; F84-Y102 HydrophobicContact CE1-CD1 3.76Å; F84-Y102 AromaticContact CE1-CE1 3.67Å; F84-Y102 HydrophobicContact CE1-CE1 3.67Å; F84-Y102 HydrophobicContact CE1-CG 4.44Å; F84-Y102 AromaticContact CE2-CD1 3.52Å; F84-Y102 HydrophobicContact CE2-CD1 3.52Å; F84-Y102 HydrophobicContact CE2-CE1 4.27Å; F84-Y102 AromaticContact CE2-CG 3.96Å; F84-Y102 HydrophobicContact CE2-CG 3.96Å; F84-Y102 AromaticContact CG-CD1 3.74Å; F84-Y102 HydrophobicContact CG-CD1 3.74Å; F84-Y102 AromaticContact CG-CD2 3.94Å; F84-Y102 HydrophobicContact CG-CD2 3.94Å; F84-Y102 HydrophobicContact CG-CE1 4.23Å; F84-Y102 HydrophobicContact CG-CE2 4.42Å; F84-Y102 AromaticContact CG-CG 3.58Å; F84-Y102 HydrophobicContact CG-CG 3.58Å; F84-Y102 AromaticContact CZ-CD1 3.6Å; F84-Y102 HydrophobicContact CZ-CD1 3.6Å; F84-Y102 AromaticContact CZ-CE1 3.89Å; F84-Y102 HydrophobicContact CZ-CE1 3.89Å; F84-Y102 HydrophobicContact CZ-CG 4.38Å
85	T	95.6	Very high	94.4	Very high	86 Å²	86	49.1 Å²	49.1	53%	0.528	26%	0.262	S	S	.	.	H	α-helix	trans	-67	-46.7	177.9	50.4	0	0	0	0	111.7	G81 A82	G81-T85 PolarHBondContact O-N 3.05Å; A82-T85 PolarHBondContact O-N 2.98Å; A82-T85 PolarHBondContact O-OG1 2.9Å
86	H	93.4	Very high	94.4	Very high	44 Å²	44	50.1 Å²	50.1	20%	0.204	27%	0.27	C	S	.	.	H	α-helix	trans	-92.3	-1.7	-174.9	-57.2	-74	0	0	0	114.6	F47 K88 H89	F47-H86 HydrophobicContact CB-CB 4.44Å; F47-H86 HydrophobicContact CD1-CB 3.96Å; F47-H86 HydrophobicContact CD2-CB 3.35Å; F47-H86 AromaticContact CD2-CG 3.95Å; F47-H86 HydrophobicContact CE1-CB 4.05Å; F47-H86 HydrophobicContact CE2-CB 3.44Å; F47-H86 VanDerWaalsContact CE2-CB 3.44Å; F47-H86 AromaticContact CE2-CD2 3.84Å; F47-H86 AromaticContact CE2-CG 3.8Å; F47-H86 HydrophobicContact CG-CB 3.63Å; F47-H86 HydrophobicContact CZ-CB 3.81Å; H86-K88 PolarHBondContact O-N 2.98Å; H86-H89 PolarHBondContact O-CD2 2.89Å; H86-H89 VanDerWaalsContact O-CD2 3.24Å; H86-H89 PolarHBondContact O-N 2.87Å
87	R	94.6	Very high	94.4	Very high	72 Å²	72	55.5 Å²	55.5	27%	0.272	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-15.4	-179.3	79.3	-173.1	-171.8	-84.1	7.7	116.9	C83 F84 H89 A95 I98	C83-R87 WeakPolarHBondContact O-CB 3.47Å; C83-R87 PolarHBondContact O-N 2.77Å; F84-R87 VanDerWaalsContact CE1-NH1 3.31Å; F84-R87 VanDerWaalsContact CZ-CZ 3.47Å; F84-R87 VanDerWaalsContact CZ-NH1 3.31Å; F84-R87 WeakPolarHBondContact O-CD 3.13Å; F84-R87 WeakPolarHBondContact O-CG 3.38Å; F84-R87 PolarHBondContact O-NH1 2.93Å; R87-H89 PolarHBondContact O-N 3.19Å; R87-A95 HydrophobicContact CB-CB 4.42Å; R87-A95 HydrophobicContact CG-CB 4.5Å; R87-A95 WeakPolarHBondContact O-CB 3.49Å; R87-I98 HydrophobicContact CB-CG2 4.3Å
88	K	92.6	Very high	94.5	Very high	179 Å²	179	54 Å²	54	78%	0.778	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-17.7	175.6	-65.7	-179.6	-177.9	173.2	0	113.8	H86	H86-K88 PolarHBondContact O-N 2.98Å
89	H	91.9	Very high	94.5	Very high	94 Å²	94	53.6 Å²	53.6	44%	0.435	28%	0.279	S	S	.	.	S	Bend	trans	-92.2	-13.5	-179.5	-59.1	-72.2	0	0	0	113.2	Q44 F47 H86 R87	Q44-H89 PolarHBondContact NE2-CE1 2.89Å; F47-H89 HydrophobicContact CB-CB 3.9Å; F47-H89 WeakPolarHBondContact O-CB 3.44Å; H86-H89 PolarHBondContact O-CD2 2.89Å; H86-H89 VanDerWaalsContact O-CD2 3.24Å; H86-H89 PolarHBondContact O-N 2.87Å; R87-H89 PolarHBondContact O-N 3.19Å
90	L	93.6	Very high	94.5	Very high	14 Å²	14	62.4 Å²	62.4	7%	0.073	31%	0.312	C	S	.	.	S	Bend	trans	-85.9	168.8	173.4	-58.3	-179.8	0	0	0	111.7	F47 E52 A94 I98	F47-L90 HydrophobicContact CB-CD2 3.86Å; F47-L90 HydrophobicContact CB-CG 4.26Å; F47-L90 HydrophobicContact CD1-CD1 3.9Å; F47-L90 HydrophobicContact CD1-CD2 3.96Å; F47-L90 HydrophobicContact CD1-CG 3.87Å; F47-L90 HydrophobicContact CE1-CD1 4.49Å; F47-L90 HydrophobicContact CG-CD2 4.41Å; E52-L90 HydrophobicContact CB-CD2 4.14Å; E52-L90 HydrophobicContact CG-CD2 3.93Å; E52-L90 VanDerWaalsContact OE2-CA 3.31Å; E52-L90 WeakPolarHBondContact OE2-CA 3.13Å; L90-A94 HydrophobicContact CB-CB 3.99Å; L90-A94 HydrophobicContact CD1-CB 4.14Å; L90-I98 HydrophobicContact CD1-CD1 3.44Å; L90-I98 VanDerWaalsContact CD1-CD1 3.44Å
91	S	94.3	Very high	94.4	Very high	48 Å²	48	63.6 Å²	63.6	34%	0.336	32%	0.316	S	S	.	.			trans	-55.5	151.8	171.9	79.6	0	0	0	0	112.7	E52 P93 A94 A95	E52-S91 VanDerWaalsContact CD-N 3.32Å; E52-S91 WeakPolarHBondContact OE1-CB 3.44Å; E52-S91 PolarHBondContact OE1-N 2.74Å; E52-S91 PolarHBondContact OE1-OG 3.03Å; E52-S91 PolarHBondContact OE2-N 2.91Å; S91-P93 VanDerWaalsContact C-N 3.33Å; S91-P93 WeakPolarHBondContact OG-CD 3.41Å; S91-A94 PolarHBondContact O-N 3.19Å; S91-A94 VanDerWaalsContact O-N 3.11Å; S91-A94 PolarHBondContact OG-N 2.7Å; S91-A95 VanDerWaalsContact O-CB 3.31Å; S91-A95 WeakPolarHBondContact O-CB 3.24Å; S91-A95 PolarHBondContact O-N 2.69Å
92	K	90.7	Very high	94.4	Very high	178 Å²	178	65.9 Å²	65.9	77%	0.774	32%	0.32	S	S	*	.	H	α-helix	trans	-55.5	-38.1	177.6	-173.6	178.1	178.5	-176.7	0	113.1	T96	K92-T96 WeakPolarHBondContact O-CB 3.28Å; K92-T96 PolarHBondContact O-N 2.74Å; K92-T96 VanDerWaalsContact O-N 3.15Å; K92-T96 PolarHBondContact O-OG1 2.95Å
93	P	91.1	Very high	94.2	Very high	98 Å²	98	67.7 Å²	67.7	64%	0.636	33%	0.326	S	S	*	.	H	α-helix	trans	-57.9	-54.3	167.8	-27.9	36	0	0	0	114.4	S91 T96 R97	S91-P93 VanDerWaalsContact C-N 3.33Å; S91-P93 WeakPolarHBondContact OG-CD 3.41Å; P93-T96 WeakPolarHBondContact O-CB 3.41Å; P93-T96 PolarHBondContact O-N 2.73Å; P93-T96 VanDerWaalsContact O-N 3.12Å; P93-R97 PolarHBondContact O-N 3.45Å
94	A	92.6	Very high	94	Very high	5 Å²	5	71.7 Å²	71.7	4%	0.041	34%	0.344	C	S	.	.	H	α-helix	trans	-62.4	-46.2	-178.4	0	0	0	0	0	112	E52 M56 L90 S91 T96 R97 I98	E52-A94 HydrophobicContact CG-CB 4.34Å; E52-A94 WeakPolarHBondContact OE1-CB 3.47Å; M56-A94 HydrophobicContact CE-CB 4.26Å; M56-A94 HydrophobicContact CG-CB 3.9Å; M56-A94 HydrophobicContact SD-CB 3.67Å; L90-A94 HydrophobicContact CB-CB 3.99Å; L90-A94 HydrophobicContact CD1-CB 4.14Å; S91-A94 PolarHBondContact O-N 3.19Å; S91-A94 VanDerWaalsContact O-N 3.11Å; S91-A94 PolarHBondContact OG-N 2.7Å; A94-T96 PolarHBondContact O-N 2.89Å; A94-R97 PolarHBondContact O-N 2.89Å; A94-I98 PolarHBondContact O-N 2.69Å
95	A	94.8	Very high	93.5	Very high	21 Å²	21	69.4 Å²	69.4	17%	0.174	34%	0.335	C	S	.	.	H	α-helix	trans	-55.2	-34.7	174.2	0	0	0	0	0	112.9	R87 S91 G99	R87-A95 HydrophobicContact CB-CB 4.42Å; R87-A95 HydrophobicContact CG-CB 4.5Å; R87-A95 WeakPolarHBondContact O-CB 3.49Å; S91-A95 VanDerWaalsContact O-CB 3.31Å; S91-A95 WeakPolarHBondContact O-CB 3.24Å; S91-A95 PolarHBondContact O-N 2.69Å; A95-G99 PolarHBondContact O-N 2.85Å; A95-G99 VanDerWaalsContact O-N 3.12Å
96	T	95.3	Very high	93.2	Very high	69 Å²	69	71.3 Å²	71.3	42%	0.423	33%	0.332	S	S	.	.	H	α-helix	trans	-76.6	-39.8	176	-57.3	0	0	0	0	112	K92 P93 A94 G99 R100	K92-T96 WeakPolarHBondContact O-CB 3.28Å; K92-T96 PolarHBondContact O-N 2.74Å; K92-T96 VanDerWaalsContact O-N 3.15Å; K92-T96 PolarHBondContact O-OG1 2.95Å; P93-T96 WeakPolarHBondContact O-CB 3.41Å; P93-T96 PolarHBondContact O-N 2.73Å; P93-T96 VanDerWaalsContact O-N 3.12Å; A94-T96 PolarHBondContact O-N 2.89Å; T96-G99 PolarHBondContact O-N 3.02Å; T96-R100 WeakPolarHBondContact O-CG 3.45Å; T96-R100 PolarHBondContact O-N 2.7Å
97	R	95.6	Very high	92.8	Very high	113 Å²	113	76.2 Å²	76.2	43%	0.426	35%	0.349	S	S	.	.	H	α-helix	trans	-65.6	-49.5	178	-163.6	-177.3	-66.2	-167.9	5.7	110.8	M56 E60 P93 A94 G99 R100 W101	M56-R97 HydrophobicContact CE-CB 3.94Å; M56-R97 HydrophobicContact CE-CG 4.17Å; E60-R97 IonicContact OE1-CZ 2.77Å; E60-R97 IonicContact OE1-NH1 2.75Å; E60-R97 PolarHBondContact OE1-NH1 3.4Å; E60-R97 IonicContact OE2-NH1 3.19Å; E60-R97 PolarHBondContact OE2-NH1 3.47Å; P93-R97 PolarHBondContact O-N 3.45Å; A94-R97 PolarHBondContact O-N 2.89Å; R97-G99 VanDerWaalsContact C-N 3.28Å; R97-G99 PolarHBondContact O-N 3.39Å; R97-R100 WeakPolarHBondContact O-CB 3.46Å; R97-R100 PolarHBondContact O-N 3.35Å; R97-W101 VanDerWaalsContact CD-CH2 3.4Å; R97-W101 HydrophobicContact CG-CD2 4.05Å; R97-W101 HydrophobicContact CG-CE3 4.19Å; R97-W101 HydrophobicContact CG-CH2 3.92Å; R97-W101 HydrophobicContact CG-CZ2 3.75Å; R97-W101 HydrophobicContact CG-CZ3 4.12Å; R97-W101 PolarHBondContact O-N 3.37Å
98	I	96.4	Very high	92	Very high	1 Å²	1	76 Å²	76	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-58	-40.7	172.8	-67.1	161.8	0	0	0	111.2	M56 L59 C83 F84 R87 L90 A94 R100 W101 Y102	M56-I98 HydrophobicContact CE-CG1 4.39Å; M56-I98 HydrophobicContact SD-CD1 3.72Å; M56-I98 HydrophobicContact SD-CG1 3.96Å; L59-I98 HydrophobicContact CD1-CD1 4.14Å; L59-I98 HydrophobicContact CD1-CG1 4.22Å; C83-I98 HydrophobicContact CB-CD1 4.23Å; C83-I98 HydrophobicContact CB-CG2 4.11Å; F84-I98 HydrophobicContact CB-CG2 4.15Å; R87-I98 HydrophobicContact CB-CG2 4.3Å; L90-I98 HydrophobicContact CD1-CD1 3.44Å; L90-I98 VanDerWaalsContact CD1-CD1 3.44Å; A94-I98 PolarHBondContact O-N 2.69Å; I98-R100 VanDerWaalsContact C-N 3.3Å; I98-R100 PolarHBondContact O-N 3.37Å; I98-W101 HydrophobicContact CG1-CE3 4.19Å; I98-W101 HydrophobicContact CG1-CZ3 4.4Å; I98-W101 PolarHBondContact O-N 3.4Å; I98-Y102 WeakPolarHBondContact O-CB 3.17Å; I98-Y102 PolarHBondContact O-N 3.18Å
99	G	95.4	Very high	91.1	Very high	22 Å²	22	72.6 Å²	72.6	23%	0.227	34%	0.338	C	S	.	.	H	α-helix	trans	-60.2	-35.6	175.3	0	0	0	0	0	114.1	A95 T96 R97 E103	A95-G99 PolarHBondContact O-N 2.85Å; A95-G99 VanDerWaalsContact O-N 3.12Å; T96-G99 PolarHBondContact O-N 3.02Å; R97-G99 VanDerWaalsContact C-N 3.28Å; R97-G99 PolarHBondContact O-N 3.39Å; G99-E103 PolarHBondContact O-N 3.13Å
100	R	94.9	Very high	89.7	Confident	185 Å²	185	76.7 Å²	76.7	70%	0.698	35%	0.354	S	S	*	.	H	α-helix	trans	-73.5	-46.8	174	-69.9	175.1	179.4	-166.4	-0.1	111.7	T96 R97 I98 Y102 E103 Q104	T96-R100 WeakPolarHBondContact O-CG 3.45Å; T96-R100 PolarHBondContact O-N 2.7Å; R97-R100 WeakPolarHBondContact O-CB 3.46Å; R97-R100 PolarHBondContact O-N 3.35Å; I98-R100 VanDerWaalsContact C-N 3.3Å; I98-R100 PolarHBondContact O-N 3.37Å; R100-Y102 PolarHBondContact O-N 3.04Å; R100-E103 PolarHBondContact O-N 3.3Å; R100-Q104 WeakPolarHBondContact O-CB 3.23Å; R100-Q104 PolarHBondContact O-N 3.27Å
101	W	95.5	Very high	88	Confident	27 Å²	27	81.5 Å²	81.5	10%	0.102	38%	0.38	C	S	.	.	H	α-helix	trans	-59.6	-43.3	178.5	-71	-31.8	0	0	0	112.5	M56 L59 E60 M63 V80 R97 I98 E103 Q104 M105	M56-W101 HydrophobicContact CE-CH2 3.77Å; M56-W101 HydrophobicContact CE-CZ3 3.5Å; M56-W101 HydrophobicContact SD-CZ3 4.44Å; L59-W101 HydrophobicContact CB-CE3 4.45Å; L59-W101 HydrophobicContact CB-CH2 4.27Å; L59-W101 HydrophobicContact CB-CZ3 3.69Å; E60-W101 HydrophobicContact CB-CH2 4Å; E60-W101 HydrophobicContact CB-CZ2 4.21Å; E60-W101 HydrophobicContact CG-CH2 4.49Å; E60-W101 HydrophobicContact CG-CZ2 4.26Å; E60-W101 WeakPolarHBondContact OE1-CZ2 3.1Å; M63-W101 HydrophobicContact CE-CB 4.21Å; M63-W101 HydrophobicContact CE-CG 4.15Å; M63-W101 HydrophobicContact CG-CB 4.19Å; M63-W101 HydrophobicContact CG-CD2 3.79Å; M63-W101 HydrophobicContact CG-CE3 4.32Å; M63-W101 HydrophobicContact CG-CG 3.76Å; M63-W101 HydrophobicContact SD-CB 3.9Å; M63-W101 HydrophobicContact SD-CG 4.05Å; V80-W101 HydrophobicContact CG1-CB 3.96Å; R97-W101 VanDerWaalsContact CD-CH2 3.4Å; R97-W101 HydrophobicContact CG-CD2 4.05Å; R97-W101 HydrophobicContact CG-CE3 4.19Å; R97-W101 HydrophobicContact CG-CH2 3.92Å; R97-W101 HydrophobicContact CG-CZ2 3.75Å; R97-W101 HydrophobicContact CG-CZ3 4.12Å; R97-W101 PolarHBondContact O-N 3.37Å; I98-W101 HydrophobicContact CG1-CE3 4.19Å; I98-W101 HydrophobicContact CG1-CZ3 4.4Å; I98-W101 PolarHBondContact O-N 3.4Å; W101-E103 PolarHBondContact O-N 3.15Å; W101-Q104 WeakPolarHBondContact O-CB 3.47Å; W101-Q104 PolarHBondContact O-N 3.43Å; W101-M105 WeakPolarHBondContact O-CG 3.49Å; W101-M105 PolarHBondContact O-N 3.26Å
102	Y	95.7	Very high	86.1	Confident	67 Å²	67	81.9 Å²	81.9	26%	0.263	39%	0.391	S	S	.	.	H	α-helix	trans	-60.8	-44.1	176.6	-177.9	-103.5	0	0	0	112.6	F84 I98 R100 M105 R106	F84-Y102 HydrophobicContact CB-CD2 3.85Å; F84-Y102 HydrophobicContact CB-CE2 4.43Å; F84-Y102 HydrophobicContact CB-CG 3.91Å; F84-Y102 AromaticContact CD1-CD1 3.83Å; F84-Y102 HydrophobicContact CD1-CD1 3.83Å; F84-Y102 HydrophobicContact CD1-CD2 4.3Å; F84-Y102 AromaticContact CD1-CE1 3.84Å; F84-Y102 HydrophobicContact CD1-CE1 3.84Å; F84-Y102 HydrophobicContact CD1-CE2 4.33Å; F84-Y102 HydrophobicContact CD1-CG 4.06Å; F84-Y102 VanDerWaalsContact CD2-CB 3.46Å; F84-Y102 AromaticContact CD2-CD1 3.6Å; F84-Y102 HydrophobicContact CD2-CD1 3.6Å; F84-Y102 HydrophobicContact CD2-CD2 4.34Å; F84-Y102 HydrophobicContact CD2-CE1 4.44Å; F84-Y102 AromaticContact CD2-CG 3.54Å; F84-Y102 HydrophobicContact CD2-CG 3.54Å; F84-Y102 AromaticContact CE1-CD1 3.76Å; F84-Y102 HydrophobicContact CE1-CD1 3.76Å; F84-Y102 AromaticContact CE1-CE1 3.67Å; F84-Y102 HydrophobicContact CE1-CE1 3.67Å; F84-Y102 HydrophobicContact CE1-CG 4.44Å; F84-Y102 AromaticContact CE2-CD1 3.52Å; F84-Y102 HydrophobicContact CE2-CD1 3.52Å; F84-Y102 HydrophobicContact CE2-CE1 4.27Å; F84-Y102 AromaticContact CE2-CG 3.96Å; F84-Y102 HydrophobicContact CE2-CG 3.96Å; F84-Y102 AromaticContact CG-CD1 3.74Å; F84-Y102 HydrophobicContact CG-CD1 3.74Å; F84-Y102 AromaticContact CG-CD2 3.94Å; F84-Y102 HydrophobicContact CG-CD2 3.94Å; F84-Y102 HydrophobicContact CG-CE1 4.23Å; F84-Y102 HydrophobicContact CG-CE2 4.42Å; F84-Y102 AromaticContact CG-CG 3.58Å; F84-Y102 HydrophobicContact CG-CG 3.58Å; F84-Y102 AromaticContact CZ-CD1 3.6Å; F84-Y102 HydrophobicContact CZ-CD1 3.6Å; F84-Y102 AromaticContact CZ-CE1 3.89Å; F84-Y102 HydrophobicContact CZ-CE1 3.89Å; F84-Y102 HydrophobicContact CZ-CG 4.38Å; I98-Y102 WeakPolarHBondContact O-CB 3.17Å; I98-Y102 PolarHBondContact O-N 3.18Å; R100-Y102 PolarHBondContact O-N 3.04Å; Y102-M105 PolarHBondContact O-N 3.02Å; Y102-R106 WeakPolarHBondContact O-CB 3.41Å; Y102-R106 PolarHBondContact O-N 3.47Å
103	E	92.4	Very high	84.2	Confident	51 Å²	51	76.9 Å²	76.9	24%	0.238	39%	0.391	C	S	.	.	H	α-helix	trans	-70	-32.2	176.6	176.2	60.9	-173.4	0	0	112.5	G99 R100 W101 R106 R107	G99-E103 PolarHBondContact O-N 3.13Å; R100-E103 PolarHBondContact O-N 3.3Å; W101-E103 PolarHBondContact O-N 3.15Å; E103-R106 VanDerWaalsContact CD-NH2 3.26Å; E103-R106 IonicContact OE1-CZ 3.7Å; E103-R106 IonicContact OE1-NH2 2.69Å; E103-R106 PolarHBondContact OE1-NH2 3.4Å; E103-R106 IonicContact OE2-CZ 2.67Å; E103-R106 IonicContact OE2-NE 2.85Å; E103-R106 PolarHBondContact OE2-NE 3.4Å; E103-R106 IonicContact OE2-NH2 3.88Å; E103-R106 PolarHBondContact OE2-NH2 2.94Å; E103-R107 VanDerWaalsContact O-CG 3.25Å; E103-R107 WeakPolarHBondContact O-CG 3.11Å; E103-R107 PolarHBondContact O-N 3.08Å; E103-R107 VanDerWaalsContact O-N 3.09Å; E103-R107 IonicContact OE1-CZ 3.83Å; E103-R107 IonicContact OE1-NE 3.85Å; E103-R107 PolarHBondContact OE1-NE 3.37Å; E103-R107 IonicContact OE1-NH2 3.19Å; E103-R107 PolarHBondContact OE1-NH2 3.46Å
104	Q	90.8	Very high	81.8	Confident	84 Å²	84	81.7 Å²	81.7	39%	0.393	40%	0.402	S	S	.	.	H	α-helix	trans	-62.1	-50.8	171	173.4	176.6	-22.6	0	0	111	M63 R100 W101 R106 R107 L108	M63-Q104 HydrophobicContact CE-CG 4.4Å; R100-Q104 WeakPolarHBondContact O-CB 3.23Å; R100-Q104 PolarHBondContact O-N 3.27Å; W101-Q104 WeakPolarHBondContact O-CB 3.47Å; W101-Q104 PolarHBondContact O-N 3.43Å; Q104-R106 PolarHBondContact O-N 2.75Å; Q104-R107 WeakPolarHBondContact O-CB 3.4Å; Q104-R107 PolarHBondContact O-N 2.65Å; Q104-R107 VanDerWaalsContact O-N 3.15Å; Q104-L108 HydrophobicContact CG-CD1 4.15Å; Q104-L108 WeakPolarHBondContact O-CD1 3.49Å; Q104-L108 PolarHBondContact O-N 2.97Å
105	M	87.1	Confident	79.4	Confident	0 Å²	0	91.8 Å²	91.8	0%	0	44%	0.438	C	S	.	.	H	α-helix	trans	-63.3	-40.9	176.6	-63.3	-60	-85.2	0	0	111.6	M63 T67 Y73 T76 H77 W101 Y102 R107 L108 K109	M63-M105 HydrophobicContact CE-CG 4.15Å; M63-M105 HydrophobicContact CE-SD 3.91Å; M63-M105 HydrophobicContact SD-CG 3.88Å; M63-M105 HydrophobicContact SD-SD 3.98Å; T67-M105 HydrophobicContact CG2-CE 4.37Å; T67-M105 HydrophobicContact CG2-SD 3.76Å; Y73-M105 HydrophobicContact CD2-CE 3.69Å; Y73-M105 HydrophobicContact CD2-SD 4.46Å; Y73-M105 HydrophobicContact CE1-CE 4.46Å; Y73-M105 HydrophobicContact CE2-CE 3.28Å; Y73-M105 HydrophobicContact CE2-SD 3.64Å; Y73-M105 HydrophobicContact CG-CE 4.42Å; Y73-M105 WeakPolarHBondContact OH-CA 3.47Å; Y73-M105 PolarHBondContact OH-O 3.47Å; T76-M105 HydrophobicContact CG2-CE 3.66Å; H77-M105 HydrophobicContact CB-CE 4.12Å; W101-M105 WeakPolarHBondContact O-CG 3.49Å; W101-M105 PolarHBondContact O-N 3.26Å; Y102-M105 PolarHBondContact O-N 3.02Å; M105-R107 PolarHBondContact O-N 3.25Å; M105-L108 PolarHBondContact O-N 3Å; M105-K109 WeakPolarHBondContact O-CB 3.37Å; M105-K109 PolarHBondContact O-N 3.26Å
106	R	88.9	Confident	76.8	Confident	126 Å²	126	99 Å²	99	48%	0.475	47%	0.466	S	S	.	.	H	α-helix	trans	-59.4	-33.4	175.2	-162	-175.4	67.5	86.1	5.6	112.6	Y102 E103 Q104 K110	Y102-R106 WeakPolarHBondContact O-CB 3.41Å; Y102-R106 PolarHBondContact O-N 3.47Å; E103-R106 VanDerWaalsContact CD-NH2 3.26Å; E103-R106 IonicContact OE1-CZ 3.7Å; E103-R106 IonicContact OE1-NH2 2.69Å; E103-R106 PolarHBondContact OE1-NH2 3.4Å; E103-R106 IonicContact OE2-CZ 2.67Å; E103-R106 IonicContact OE2-NE 2.85Å; E103-R106 PolarHBondContact OE2-NE 3.4Å; E103-R106 IonicContact OE2-NH2 3.88Å; E103-R106 PolarHBondContact OE2-NH2 2.94Å; Q104-R106 PolarHBondContact O-N 2.75Å; R106-K110 PolarHBondContact O-N 3.22Å
107	R	85.2	Confident	74.1	Confident	147 Å²	147	106.6 Å²	106.6	56%	0.555	49%	0.487	S	S	*	.	H	α-helix	trans	-76.9	-43.5	175	-70.9	170	-171.1	-164.9	4.5	113.1	E103 Q104 M105 K109 K110 N111	E103-R107 VanDerWaalsContact O-CG 3.25Å; E103-R107 WeakPolarHBondContact O-CG 3.11Å; E103-R107 PolarHBondContact O-N 3.08Å; E103-R107 VanDerWaalsContact O-N 3.09Å; E103-R107 IonicContact OE1-CZ 3.83Å; E103-R107 IonicContact OE1-NE 3.85Å; E103-R107 PolarHBondContact OE1-NE 3.37Å; E103-R107 IonicContact OE1-NH2 3.19Å; E103-R107 PolarHBondContact OE1-NH2 3.46Å; Q104-R107 WeakPolarHBondContact O-CB 3.4Å; Q104-R107 PolarHBondContact O-N 2.65Å; Q104-R107 VanDerWaalsContact O-N 3.15Å; M105-R107 PolarHBondContact O-N 3.25Å; R107-K109 VanDerWaalsContact C-N 3.29Å; R107-K109 PolarHBondContact O-N 3.03Å; R107-K110 PolarHBondContact O-N 3.1Å; R107-N111 PolarHBondContact O-N 2.84Å; R107-N111 VanDerWaalsContact O-N 3.14Å
108	L	78.2	Confident	71.2	Confident	66 Å²	66	105.3 Å²	105.3	35%	0.346	50%	0.5	S	S	.	.	H	α-helix	trans	-59.9	-41.1	176.9	-95.4	64.9	0	0	0	111.1	T67 Y73 Q104 M105 K110 N111	T67-L108 HydrophobicContact CG2-CD2 4.04Å; Y73-L108 HydrophobicContact CE2-CB 3.85Å; Y73-L108 HydrophobicContact CE2-CD2 3.95Å; Y73-L108 WeakPolarHBondContact OH-CB 3.39Å; Q104-L108 HydrophobicContact CG-CD1 4.15Å; Q104-L108 WeakPolarHBondContact O-CD1 3.49Å; Q104-L108 PolarHBondContact O-N 2.97Å; M105-L108 PolarHBondContact O-N 3Å; L108-K110 PolarHBondContact O-N 3.11Å; L108-N111 PolarHBondContact O-N 3.45Å; L108-N111 VanDerWaalsContact O-N 3.17Å
109	K	72.3	Confident	68.5	Low	109 Å²	109	110.4 Å²	110.4	47%	0.474	53%	0.533	S	S	.	.	H	α-helix	trans	-61.2	-42.3	174.8	-173.5	167.3	-179.8	166.2	0	112.5	Y73 M74 M105 R107 N111 G112	Y73-K109 HydrophobicContact CE1-CB 4.17Å; Y73-K109 PolarHBondContact OH-N 3.49Å; Y73-K109 VanDerWaalsContact OH-N 3.13Å; M74-K109 HydrophobicContact SD-CD 4.3Å; M105-K109 WeakPolarHBondContact O-CB 3.37Å; M105-K109 PolarHBondContact O-N 3.26Å; R107-K109 VanDerWaalsContact C-N 3.29Å; R107-K109 PolarHBondContact O-N 3.03Å; K109-N111 PolarHBondContact O-N 2.81Å; K109-G112 PolarHBondContact O-N 2.86Å
110	K	62.8	Low	65.6	Low	180 Å²	180	115.5 Å²	115.5	78%	0.783	56%	0.563	S	S	*	*	H	α-helix	trans	-66.3	-25.5	177	-169.2	174.8	-179.8	-176.5	0	112.9	R106 R107 L108	R106-K110 PolarHBondContact O-N 3.22Å; R107-K110 PolarHBondContact O-N 3.1Å; L108-K110 PolarHBondContact O-N 3.11Å
111	N	59.1	Low	62.6	Low	115 Å²	115	115.8 Å²	115.8	62%	0.615	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	11.3	-175.9	-66.3	-2.5	0	0	0	114.1	R107 L108 K109 G113	R107-N111 PolarHBondContact O-N 2.84Å; R107-N111 VanDerWaalsContact O-N 3.14Å; L108-N111 PolarHBondContact O-N 3.45Å; L108-N111 VanDerWaalsContact O-N 3.17Å; K109-N111 PolarHBondContact O-N 2.81Å; N111-G113 PolarHBondContact O-N 2.81Å
112	G	53.7	Low	59.8	Low	55 Å²	55	120.2 Å²	120.2	57%	0.567	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	70.5	28.3	165.4	0	0	0	0	0	116.4	K109 K114	K109-G112 PolarHBondContact O-N 2.86Å; G112-K114 PolarHBondContact O-N 3.11Å
113	G	50.7	Low	56.9	Low	74 Å²	74	126.7 Å²	126.7	76%	0.763	63%	0.631	S	S	*	*	S	Bend	trans	68.2	-14.5	165.8	0	0	0	0	0	118.1	N111 R115	N111-G113 PolarHBondContact O-N 2.81Å; G113-R115 PolarHBondContact O-N 3.37Å
114	K	39.5	Very low	53.9	Low	199 Å²	199	131.6 Å²	131.6	87%	0.865	66%	0.659	S	S	*	*			trans	-79.7	73.5	-175	-69.2	-176	179.4	-178.8	0	113.1	G112	G112-K114 PolarHBondContact O-N 3.11Å
115	R	43.3	Very low	51.5	Low	216 Å²	216	133.7 Å²	133.7	82%	0.815	68%	0.68	S	S	*	*			trans	-136.2	81.5	162.5	-74.4	-166.1	172.3	-169.9	-4.1	111.5	G113 R117	G113-R115 PolarHBondContact O-N 3.37Å; R115-R117 PolarHBondContact O-N 3.01Å
116	K	40.8	Very low	48.8	Very low	172 Å²	172	138.4 Å²	138.4	75%	0.748	72%	0.719	S	S	*	*			trans	-58.2	133	164.8	-70.4	-166.9	166.1	-93.8	0	110	E69	E69-K116 HydrophobicContact CG-CG 4.44Å; E69-K116 WeakPolarHBondContact OE1-CA 3.42Å; E69-K116 WeakPolarHBondContact OE1-CB 3.25Å; E69-K116 WeakPolarHBondContact OE1-CG 3.46Å; E69-K116 WeakPolarHBondContact OE2-CG 3.45Å; E69-K116 IonicContact OE2-NZ 2.85Å; E69-K116 PolarHBondContact OE2-NZ 3.04Å
117	R	39	Very low	46.1	Very low	229 Å²	229	141.1 Å²	141.1	86%	0.864	74%	0.741	S	S	*	*			trans	-149.8	82.6	173.3	-91.5	-165	175.8	-167.4	-2.3	108	E69 R115	E69-R117 PolarHBondContact OE1-N 3.15Å; R115-R117 PolarHBondContact O-N 3.01Å
118	A	33.5	Very low	43.6	Very low	86 Å²	86	143.1 Å²	143.1	71%	0.711	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-64.6	142.8	167.1	0	0	0	0	0	110.3
119	P	39.9	Very low	41.2	Very low	108 Å²	108	144.7 Å²	144.7	70%	0.701	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-70.4	154.8	169.1	31.2	-34.7	0	0	0	110.8
120	P	34.6	Very low	39.1	Very low	130 Å²	130	145.5 Å²	145.5	84%	0.844	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-66.8	138.9	171.5	29.7	-34	0	0	0	110.4
121	K	31.3	Very low	37.5	Very low	190 Å²	190	141.8 Å²	141.8	83%	0.826	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-91.4	147	169	-71.6	-170.5	174.5	-171.2	0	110.4
122	P	37.6	Very low	36	Very low	120 Å²	120	145.2 Å²	145.2	78%	0.779	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-64.5	160.2	168.4	29.9	-34.9	0	0	0	110.9
123	K	33.7	Very low	35.1	Very low	203 Å²	203	148 Å²	148	88%	0.883	82%	0.816	S	S	*	*			trans	-130.7	118	174.4	-75.3	-173.6	174.7	-174.4	0	109.8
124	D	30.8	Very low	34.1	Very low	154 Å²	154	151.3 Å²	151.3	82%	0.824	82%	0.822	S	S	*	*			trans	-89.1	159.1	159.5	-69.5	-57.9	0	0	0	110
125	P	40.6	Very low	33.4	Very low	129 Å²	129	145.6 Å²	145.6	84%	0.838	82%	0.819	S	S	*	*			trans	-85.5	153.7	-160.6	32.7	-36	0	0	0	114.6
126	A	30.1	Very low	32.6	Very low	99 Å²	99	142 Å²	142	82%	0.818	82%	0.822	S	S	*	*			trans	-134.6	145.7	166.8	0	0	0	0	0	110
127	L	32.2	Very low	32	Very low	182 Å²	182	141.6 Å²	141.6	95%	0.953	83%	0.827	S	S	*	*			trans	-80.4	167	-172.1	-71.3	159.2	0	0	0	113.2
128	Q	30.9	Very low	32.1	Very low	190 Å²	190	136 Å²	136	89%	0.888	82%	0.82	S	S	*	*			trans	-96.4	179.7	-177.5	-77.2	-169.5	-15.9	0	0	114
129	A	28.6	Very low	31.7	Very low	99 Å²	99	137.7 Å²	137.7	82%	0.818	82%	0.822	S	S	*	*			trans	80.7	142.7	172.6	0	0	0	0	0	115.9
130	S	28.8	Very low	31.1	Very low	126 Å²	126	139.4 Å²	139.4	88%	0.881	82%	0.824	S	S	*	*			cis	-155.1	-170.4	-13.4	50.6	0	0	0	0	109.8
131	S	28.3	Very low	30.8	Very low	102 Å²	102	139.2 Å²	139.2	71%	0.713	82%	0.821	S	S	*	*			trans	-123.1	143.2	-159.3	58.9	0	0	0	0	116.9
132	Q	27.7	Very low	30.5	Very low	186 Å²	186	135.4 Å²	135.4	87%	0.869	82%	0.818	S	S	*	*			trans	72.9	158.5	160.3	-67.6	-174.8	1.6	0	0	118.7
133	P	35.3	Very low	30.6	Very low	114 Å²	114	135.5 Å²	135.5	74%	0.74	82%	0.818	S	S	*	*			cis	-127.6	178.3	-13.4	27.3	-5.2	0	0	0	115.5
134	T	28.7	Very low	30.2	Very low	143 Å²	143	131 Å²	131	88%	0.877	81%	0.813	S	S	*	*			trans	-24	133.7	170.3	52.5	0	0	0	0	119.9
135	G	24.9	Very low	30.1	Very low	79 Å²	79	129.5 Å²	129.5	81%	0.814	81%	0.813	S	S	*	*			trans	178.2	133.2	162.5	0	0	0	0	0	114.8
136	T	27.3	Very low	30.1	Very low	142 Å²	142	128.5 Å²	128.5	87%	0.871	81%	0.806	S	S	*	*			trans	-52.1	141.6	-177.7	45	0	0	0	0	117.7
137	L	27.3	Very low	30	Very low	163 Å²	163	131.5 Å²	131.5	85%	0.853	80%	0.803	S	S	*	*			trans	-63.3	164.2	154.7	-80	175	0	0	0	111.1
138	P	42.2	Very low	29.7	Very low	111 Å²	111	129.9 Å²	129.9	72%	0.721	80%	0.796	S	S	*	*			cis	-151.8	173.8	33	45.3	-25.1	0	0	0	120.5
139	V	25	Very low	29.4	Very low	122 Å²	122	124.3 Å²	124.3	74%	0.739	79%	0.789	S	S	*	*			trans	99.5	138.8	132.1	108.5	0	0	0	0	122.8
140	L	27.2	Very low	29.4	Very low	143 Å²	143	129.2 Å²	129.2	75%	0.749	80%	0.795	S	S	*	*			trans	82.5	131.2	155.8	-70.2	171	0	0	0	124
141	T	27.5	Very low	29.4	Very low	127 Å²	127	131.7 Å²	131.7	78%	0.779	79%	0.793	S	S	*	*			trans	68	109.8	142.4	47.9	0	0	0	0	123.6
142	S	25.4	Very low	29.3	Very low	110 Å²	110	133.9 Å²	133.9	77%	0.769	80%	0.795	S	S	*	*			trans	-65.7	170.6	136.8	-2.8	0	0	0	0	111.3
143	P	40.6	Very low	29.9	Very low	121 Å²	121	129.9 Å²	129.9	79%	0.786	79%	0.786	S	S	*	*			cis	-126.8	-142.8	31.5	35.7	-11.8	0	0	0	112
144	S	25.2	Very low	29.6	Very low	109 Å²	109	130.8 Å²	130.8	76%	0.762	79%	0.79	S	S	*	*			cis	-163	156.8	9	18.2	0	0	0	0	113.7
145	C	28.8	Very low	29.5	Very low	123 Å²	123	131.8 Å²	131.8	83%	0.831	78%	0.784	S	S	*	*			trans	-86	172.8	158.3	-86.8	0	0	0	0	110.1
146	P	40.9	Very low	29.7	Very low	108 Å²	108	134.1 Å²	134.1	70%	0.701	78%	0.778	S	S	*	*			cis	-156.4	-179.8	36.4	45	-22.8	0	0	0	120.9
147	Q	26.7	Very low	29.7	Very low	161 Å²	161	133.6 Å²	133.6	75%	0.752	77%	0.77	S	S	*	*			trans	71.2	129.4	138.9	-86.7	174.9	-11.5	0	0	125.5
148	N	27.2	Very low	29.6	Very low	149 Å²	149	132.1 Å²	132.1	80%	0.797	76%	0.763	S	S	*	*			trans	64.8	133.2	134.9	-64.7	-6.2	0	0	0	123.3
149	G	24.4	Very low	28.9	Very low	72 Å²	72	136 Å²	136	74%	0.742	77%	0.769	S	S	*	*			trans	158	88.9	136.9	0	0	0	0	0	121
150	Q	29	Very low	28.9	Very low	203 Å²	203	137.4 Å²	137.4	95%	0.949	77%	0.769	S	S	*	*			trans	69.9	172	144.5	-63.2	-173.2	-12.5	0	0	121.9
151	Q	27.1	Very low	29	Very low	177 Å²	177	139.3 Å²	139.3	83%	0.827	77%	0.772	S	S	*	*			trans	-117.9	176.8	-169	-55.2	166	-53.7	0	0	109.3
152	L	28.1	Very low	28.9	Very low	148 Å²	148	138.2 Å²	138.2	78%	0.775	77%	0.769	S	S	*	*			cis	-143.4	-145	4.7	-156.1	74	0	0	0	109.1
153	P	39.9	Very low	29.8	Very low	103 Å²	103	139 Å²	139	67%	0.669	77%	0.771	S	S	*	*			trans	-124.1	173.4	-131.5	44.1	-26.5	0	0	0	117.5
154	T	28.3	Very low	29	Very low	133 Å²	133	140.4 Å²	140.4	82%	0.816	77%	0.773	S	S	*	*			trans	-167.4	125.3	131.5	25.2	0	0	0	0	113.3
155	E	27.1	Very low	29.2	Very low	163 Å²	163	139.5 Å²	139.5	76%	0.762	77%	0.766	S	S	*	*			trans	51.9	139.4	144.1	-57	-161.3	133.8	0	0	125.7
156	N	27.9	Very low	29.2	Very low	128 Å²	128	139 Å²	139	68%	0.684	76%	0.764	S	S	*	*			trans	61	127.5	150.8	-63.2	-21	0	0	0	119.2
157	N	27.7	Very low	28.6	Very low	131 Å²	131	142 Å²	142	70%	0.701	77%	0.774	S	S	*	*			cis	-161.4	144.3	24.9	-109.5	-35.3	0	0	0	112.2
158	N	25.6	Very low	28.6	Very low	133 Å²	133	137.6 Å²	137.6	71%	0.711	77%	0.772	S	S	*	*				149.8	125.5	127	-84.2	-20.6	0	0	0	117
159	F	27.4	Very low	28.7	Very low	192 Å²	192	135.9 Å²	135.9	84%	0.842	77%	0.772	S	S	*	*			trans	64.2	148	138.1	-83.2	-95.4	0	0	0	124.6
160	M	25	Very low	28.8	Very low	152 Å²	152	140.9 Å²	140.9	75%	0.749	78%	0.778	S	S	*	*			trans	95.3	107.5	157.5	-62.5	-160.3	73.4	0	0	121.7
161	F	29	Very low	29	Very low	182 Å²	182	142.8 Å²	142.8	80%	0.798	78%	0.777	S	S	*	*			trans	68.1	99.6	131.1	-78.7	-94.8	0	0	0	122.5
162	S	25.2	Very low	30.4	Very low	104 Å²	104	139.3 Å²	139.3	73%	0.727	77%	0.769	S	S	*	*				-16.2	162	116.5	-54.4	0	0	0	0	117.1
163	P	45.1	Very low	31.2	Very low	126 Å²	126	137.6 Å²	137.6	82%	0.818	77%	0.767	S	S	*	*			cis	-148.1	-176.5	33.1	43.7	-23.8	0	0	0	118
164	N	23.3	Very low	30.8	Very low	152 Å²	152	141.7 Å²	141.7	81%	0.813	78%	0.777	S	S	*	*			trans	-147.7	148.2	154.5	-155.7	13.3	0	0	0	112.6
165	S	28.8	Very low	30.8	Very low	90 Å²	90	139 Å²	139	63%	0.629	78%	0.775	S	S	*	*			trans	56.2	132.4	151	60.1	0	0	0	0	125.1
166	S	30.2	Very low	31	Very low	113 Å²	113	137.6 Å²	137.6	79%	0.79	78%	0.778	S	S	*	*			trans	88.8	141.6	130	56.8	0	0	0	0	123.9
167	D	28.2	Very low	32.1	Very low	170 Å²	170	137.1 Å²	137.1	91%	0.909	78%	0.782	S	S	*	*			trans	-75.1	170.5	-175.8	-54.6	-94.8	0	0	0	117
168	G	26.4	Very low	32	Very low	69 Å²	69	139.5 Å²	139.5	71%	0.711	79%	0.791	S	S	*	*			trans	145.3	101.5	136.7	0	0	0	0	0	120.5
169	S	29	Very low	32.2	Very low	112 Å²	112	137.6 Å²	137.6	78%	0.783	79%	0.788	S	S	*	*			trans	76.1	117.9	133.4	-60.8	0	0	0	0	124.9
170	M	26.8	Very low	32.5	Very low	178 Å²	178	134.6 Å²	134.6	88%	0.877	79%	0.785	S	S	*	*			trans	91	160.5	130.9	-63.8	171.8	76.4	0	0	122.5
171	W	32.6	Very low	33.4	Very low	243 Å²	243	133.1 Å²	133.1	92%	0.92	79%	0.788	S	S	*	*			trans	-140.5	-163.4	-160.8	-59.1	78.7	0	0	0	110.8
172	P	56.8	Low	33.2	Very low	103 Å²	103	127.8 Å²	127.8	67%	0.669	78%	0.784	S	S	*	*			cis	-120.5	-157.6	-34.5	35.7	-14.8	0	0	0	110.9
173	P	44.4	Very low	33.4	Very low	112 Å²	112	129.1 Å²	129.1	73%	0.727	79%	0.793	S	S	*	*				-150.4	134.1	80.4	38.8	-18.4	0	0	0	116.7
174	Q	32.1	Very low	32.7	Very low	190 Å²	190	128.7 Å²	128.7	89%	0.888	79%	0.793	S	S	*	*				88.9	133.1	101.2	-72.7	-162.3	-29.9	0	0	120
175	G	28.1	Very low	33	Very low	75 Å²	75	126.8 Å²	126.8	77%	0.773	80%	0.798	S	S	*	*			trans	174.1	115.7	167.5	0	0	0	0	0	110.8
176	V	32.4	Very low	32.9	Very low	135 Å²	135	126.6 Å²	126.6	82%	0.818	81%	0.81	S	S	*	*			trans	-146.5	171.7	-166.9	-83.6	0	0	0	0	110.2
177	P	49.3	Very low	32.9	Very low	117 Å²	117	129.6 Å²	129.6	76%	0.76	81%	0.812	S	S	*	*			cis	-121.4	-159.2	10.2	38	-16.7	0	0	0	112.2
178	M	27.1	Very low	33.1	Very low	181 Å²	181	128.4 Å²	128.4	89%	0.892	80%	0.802	S	S	*	*			cis	-155	178.8	17	-156.4	164	67.9	0	0	111.5
179	S	30	Very low	34.3	Very low	93 Å²	93	130.1 Å²	130.1	65%	0.65	80%	0.801	S	S	*	*			trans	-129.3	154.4	-156	55.7	0	0	0	0	117.8
180	T	33.3	Very low	34.5	Very low	129 Å²	129	132.9 Å²	132.9	79%	0.791	81%	0.806	S	S	*	*			trans	66.2	163.3	150.6	43.8	0	0	0	0	120
181	P	42.4	Very low	34.6	Very low	122 Å²	122	127.9 Å²	127.9	79%	0.792	80%	0.801	S	S	*	*			cis	-136.1	165.8	-22.8	32.8	-14.3	0	0	0	116
182	G	25.6	Very low	34.7	Very low	70 Å²	70	121.6 Å²	121.6	72%	0.722	80%	0.801	S	S	*	*				109.2	141.8	127.1	0	0	0	0	0	121.9
183	S	29.6	Very low	33.2	Very low	131 Å²	131	120.7 Å²	120.7	92%	0.916	81%	0.81	S	S	*	*			trans	75.9	169.3	151.7	-61.8	0	0	0	0	120.4
184	S	31.1	Very low	32.6	Very low	117 Å²	117	120.4 Å²	120.4	82%	0.818	82%	0.817	S	S	*	*			trans	-128	159.3	-148.3	-46.1	0	0	0	0	114.8
185	A	29.5	Very low	32.6	Very low	112 Å²	112	115.5 Å²	115.5	93%	0.926	81%	0.809	S	S	*	*			trans	70.1	132.8	166.3	0	0	0	0	0	117.7
186	G	25.7	Very low	32.5	Very low	86 Å²	86	117.7 Å²	117.7	89%	0.887	81%	0.812	S	S	*	*			trans	-171	132.1	177.2	0	0	0	0	0	112.2
187	H	30.8	Very low	32.6	Very low	176 Å²	176	121.1 Å²	121.1	82%	0.815	82%	0.816	S	S	*	*			trans	-111.4	174.6	-175.1	-154.1	-88.4	0	0	0	109.4
188	M	32.5	Very low	32.7	Very low	145 Å²	145	121.5 Å²	121.5	71%	0.714	82%	0.819	S	S	*	*			trans	76	168	161.5	-59.7	-58.1	-91.7	0	0	118.2
189	P	50.8	Low	32.7	Very low	106 Å²	106	116.5 Å²	116.5	69%	0.688	81%	0.814	S	S	*	*			cis	-141	-168.8	-40.5	38.3	-20.1	0	0	0	116.6
190	L	34.1	Very low	32.7	Very low	169 Å²	169	120.7 Å²	120.7	89%	0.885	82%	0.823	S	S	*	*			trans	-66.2	166.3	179.6	-57.9	76.3	0	0	0	117.8
191	G	27.5	Very low	32.6	Very low	74 Å²	74	122 Å²	122	76%	0.763	82%	0.822	S	S	*	*			trans	170.3	162.4	135.5	0	0	0	0	0	113.4
192	A	34.8	Very low	32.1	Very low	111 Å²	111	123.5 Å²	123.5	92%	0.917	82%	0.824	S	S	*	*			cis	-167.6	153.1	-31.2	0	0	0	0	0	109
193	G	25.5	Very low	32.2	Very low	84 Å²	84	123.6 Å²	123.6	87%	0.866	82%	0.824	S	S	*	*			trans	-164.9	148.2	177	0	0	0	0	0	113.2
194	A	32	Very low	33.9	Very low	105 Å²	105	123.2 Å²	123.2	87%	0.868	82%	0.819	S	S	*	*			trans	-103.7	176.6	-170.5	0	0	0	0	0	112.4
195	A	32.7	Very low	34.8	Very low	87 Å²	87	123.3 Å²	123.3	72%	0.719	82%	0.817	S	S	*	*			cis	-159.4	-176.5	14.4	0	0	0	0	0	113.3
196	S	26	Very low	35.1	Very low	121 Å²	121	125.8 Å²	125.8	85%	0.846	81%	0.809	S	S	*	*			trans	90.6	147.7	153.9	-56.3	0	0	0	0	121.4
197	F	34.3	Very low	35.8	Very low	207 Å²	207	129.3 Å²	129.3	91%	0.908	80%	0.802	S	S	*	*			trans	-144.5	178.8	-176.9	-97.2	-76.5	0	0	0	107.2
198	P	51.1	Low	36.7	Very low	126 Å²	126	126.8 Å²	126.8	82%	0.818	80%	0.802	S	S	*	*			cis	-129.2	-175.8	-18.8	33.9	-14.3	0	0	0	113.3
199	G	27.7	Very low	36.6	Very low	76 Å²	76	123.2 Å²	123.2	78%	0.784	80%	0.802	S	S	*	*			trans	179.3	160.1	168.9	0	0	0	0	0	115.1
200	Q	30.4	Very low	35.9	Very low	181 Å²	181	125.5 Å²	125.5	85%	0.846	81%	0.805	S	S	*	*			trans	-139.7	162.7	-176	-80.1	-170	-11.9	0	0	114.3
201	M	30.6	Very low	35.6	Very low	155 Å²	155	125.8 Å²	125.8	76%	0.764	80%	0.802	S	S	*	*			trans	87	139.9	144	-95.1	-175.3	176.5	0	0	123.7
202	N	31.2	Very low	35.6	Very low	155 Å²	155	132.3 Å²	132.3	83%	0.829	81%	0.805	S	S	*	*			trans	74.4	167.9	149.1	-65.5	-9.1	0	0	0	121.2
203	G	29.4	Very low	35.2	Very low	71 Å²	71	132.5 Å²	132.5	73%	0.732	80%	0.8	S	S	*	*			trans	-136	-139.1	-155.4	0	0	0	0	0	117.2
204	P	63.9	Low	35.4	Very low	124 Å²	124	131.6 Å²	131.6	81%	0.805	79%	0.79	S	S	*	*			trans	-103	166.7	-139.1	40.2	-40.7	0	0	0	118.1
205	P	51.1	Low	35.3	Very low	119 Å²	119	134.2 Å²	134.2	77%	0.773	79%	0.785	S	S	*	*				-134.9	161.1	121.1	31.3	-15.9	0	0	0	112.1
206	Q	36	Very low	35	Very low	163 Å²	163	139.2 Å²	139.2	76%	0.762	80%	0.796	S	S	*	*			cis	101.5	111	25.7	-81.3	-152.4	17.1	0	0	117.4
207	H	38.6	Very low	35.4	Very low	160 Å²	160	138.9 Å²	138.9	74%	0.741	78%	0.781	S	S	*	*			trans	66.3	175.2	133.4	-75.2	-42.8	0	0	0	121.7
208	P	50.4	Low	35.1	Very low	124 Å²	124	138.6 Å²	138.6	81%	0.805	78%	0.782	S	S	*	*			cis	-92	-155.7	2.1	43	-38.5	0	0	0	113.5
209	G	31.3	Very low	34.2	Very low	70 Å²	70	139 Å²	139	72%	0.722	78%	0.776	S	S	*	*			cis	173.8	-178	-2.3	0	0	0	0	0	110.3
210	M	35	Very low	35.2	Very low	154 Å²	154	139.8 Å²	139.8	76%	0.759	77%	0.768	S	S	*	*			cis	-170	172.4	-17.6	-126.1	-62.5	177.2	0	0	110.6	Y212	M210-Y212 HydrophobicContact CE-CE2 4.46Å; M210-Y212 HydrophobicContact SD-CD2 4.17Å; M210-Y212 HydrophobicContact SD-CE2 4.26Å
211	Q	27.6	Very low	35.1	Very low	174 Å²	174	141.4 Å²	141.4	81%	0.813	77%	0.768	S	S	*	*			trans	71	118.4	170.9	-65.2	175.8	-22.9	0	0	118.1
212	Y	28.5	Very low	35	Very low	211 Å²	211	137 Å²	137	83%	0.827	76%	0.763	S	S	*	*			cis	81.3	137.5	47.4	-79.3	-79.2	0	0	0	113.9	M210	M210-Y212 HydrophobicContact CE-CE2 4.46Å; M210-Y212 HydrophobicContact SD-CD2 4.17Å; M210-Y212 HydrophobicContact SD-CE2 4.26Å
213	S	26.8	Very low	34.9	Very low	116 Å²	116	138 Å²	138	81%	0.811	76%	0.762	S	S	*	*			cis	-154.1	-171.2	1.3	74.4	0	0	0	0	110.3
214	G	29.7	Very low	34.8	Very low	65 Å²	65	143.1 Å²	143.1	67%	0.67	77%	0.769	S	S	*	*			cis	168.9	72.7	-1.2	0	0	0	0	0	118.7
215	Q	28.4	Very low	33	Very low	160 Å²	160	145.5 Å²	145.5	75%	0.748	77%	0.77	S	S	*	*			trans	74.7	149.9	155.1	-56.3	-168.1	15.4	0	0	124.5
216	M	25.9	Very low	32	Very low	192 Å²	192	143.2 Å²	143.2	95%	0.946	77%	0.767	S	S	*	*			trans	-149.9	153.8	136.9	-114.1	-71.1	179.4	0	0	108.6
217	Q	34.3	Very low	31.7	Very low	114 Å²	114	143 Å²	143	53%	0.533	77%	0.772	S	S	.	*			trans	-129.3	158.3	-165	-61.8	-178.5	4	0	0	115.4
218	Q	29.3	Very low	31.4	Very low	200 Å²	200	144.5 Å²	144.5	94%	0.935	78%	0.778	S	S	*	*			trans	-151.3	162	138.5	-113	170.5	88.1	0	0	110.7
219	L	31.9	Very low	30.8	Very low	134 Å²	134	143.3 Å²	143.3	70%	0.702	78%	0.779	S	S	*	*			trans	-160.4	-174.3	-148.2	-92.7	176.1	0	0	0	110.6
220	P	49.4	Very low	30.6	Very low	93 Å²	93	148.8 Å²	148.8	60%	0.604	79%	0.788	S	S	*	*			cis	-138	-174.6	-10.2	23.5	2.7	0	0	0	116.7
221	Y	27.4	Very low	30.5	Very low	215 Å²	215	152.1 Å²	152.1	84%	0.843	79%	0.794	S	S	*	*			trans	69.2	140.9	159.6	-76.6	-71.7	0	0	0	120.3
222	G	29.2	Very low	30.8	Very low	64 Å²	64	149.5 Å²	149.5	66%	0.66	79%	0.785	S	S	*	*			cis	-167.5	137.2	-7.2	0	0	0	0	0	110.2
223	Q	28.8	Very low	31	Very low	176 Å²	176	147.5 Å²	147.5	82%	0.822	78%	0.784	S	S	*	*				75.2	104.9	82.1	-92	-165.6	-11.3	0	0	117.8
224	M	27.9	Very low	31.3	Very low	177 Å²	177	151.6 Å²	151.6	87%	0.872	78%	0.781	S	S	*	*				-179.6	161.6	120	-100.5	-177.8	173	0	0	112.8
225	E	26.3	Very low	31.4	Very low	175 Å²	175	155.4 Å²	155.4	82%	0.818	79%	0.785	S	S	*	*			trans	-71.3	174.9	176.2	-52.6	102.9	118.6	0	0	112.7
226	G	28.2	Very low	31.5	Very low	70 Å²	70	156.1 Å²	156.1	72%	0.722	79%	0.79	S	S	*	*			cis	170.9	-177	16.4	0	0	0	0	0	106.9
227	N	30.2	Very low	31.7	Very low	160 Å²	160	150.2 Å²	150.2	86%	0.856	78%	0.778	S	S	*	*			cis	-157.8	173.8	9	-138.5	-30.6	0	0	0	110.6
228	H	33.2	Very low	31.5	Very low	190 Å²	190	153 Å²	153	88%	0.88	79%	0.791	S	S	*	*			trans	-94.9	-179.5	179.9	-77.7	-92.4	0	0	0	114.3
229	A	37	Very low	31.4	Very low	99 Å²	99	153.7 Å²	153.7	82%	0.818	79%	0.786	S	S	*	*			trans	-77.3	164.3	-174.9	0	0	0	0	0	115.3
230	M	27.1	Very low	31.2	Very low	186 Å²	186	152.1 Å²	152.1	92%	0.916	79%	0.792	S	S	*	*			trans	-151.8	165.5	169.7	-106.3	-63.2	-171.7	0	0	111.6
231	Y	34.2	Very low	30.1	Very low	223 Å²	223	152.5 Å²	152.5	88%	0.875	80%	0.803	S	S	*	*			trans	-142.9	144.8	-176.3	-134.2	-88	0	0	0	111.3
232	D	33.9	Very low	30	Very low	119 Å²	119	146 Å²	146	64%	0.636	80%	0.802	S	S	*	*			trans	60.5	120.7	164.4	-158.8	20.6	0	0	0	120.5
233	Q	31.6	Very low	30.1	Very low	170 Å²	170	154.5 Å²	154.5	79%	0.794	81%	0.814	S	S	*	*				176.5	117.3	111.8	-91.4	-171.4	29.6	0	0	116.4
234	R	34.3	Very low	30.8	Very low	202 Å²	202	151.5 Å²	151.5	76%	0.762	81%	0.81	S	S	*	*			trans	8.9	131.5	136.5	-165.5	-168.3	-49.2	-173.3	6.7	120.5
235	I	31.2	Very low	30.7	Very low	144 Å²	144	146.5 Å²	146.5	74%	0.738	80%	0.803	S	S	*	*				-176.8	161.6	122.6	-95.4	-68.6	0	0	0	112.9
236	M	30.8	Very low	30.7	Very low	175 Å²	175	147.4 Å²	147.4	86%	0.862	81%	0.81	S	S	*	*			trans	-32.9	156.9	-173.3	-58.7	-178.1	-177.8	0	0	120.8
237	G	30.2	Very low	31	Very low	68 Å²	68	152.6 Å²	152.6	70%	0.701	82%	0.817	S	S	*	*			cis	158	166.4	-8.4	0	0	0	0	0	116.9
238	Q	30.1	Very low	31.9	Very low	172 Å²	172	150.1 Å²	150.1	80%	0.804	81%	0.81	S	S	*	*			trans	66.2	146.6	176.8	-58.7	-158.4	29.9	0	0	116.4
239	R	26.5	Very low	31.5	Very low	216 Å²	216	148.3 Å²	148.3	82%	0.815	81%	0.807	S	S	*	*			cis	-156.8	132.5	14.5	-144.5	177.1	-145.5	-160.9	1	112.6
240	A	27.1	Very low	31.4	Very low	101 Å²	101	153.2 Å²	153.2	84%	0.835	81%	0.806	S	S	*	*			trans	55.9	174.9	154.7	0	0	0	0	0	119.8
241	A	28	Very low	32.3	Very low	100 Å²	100	149.5 Å²	149.5	83%	0.826	80%	0.796	S	S	*	*				-167.3	155.2	-52.4	0	0	0	0	0	109.9
242	G	25.2	Very low	32.3	Very low	80 Å²	80	146.8 Å²	146.8	83%	0.825	79%	0.791	S	S	*	*			trans	110	147.3	151.4	0	0	0	0	0	120
243	R	29.8	Very low	32.3	Very low	242 Å²	242	147.8 Å²	147.8	91%	0.913	79%	0.794	S	S	*	*			trans	-83.3	173.6	148.7	-104.3	-178.4	169.9	-133.4	2.8	108.3
244	P	45.1	Very low	32.9	Very low	113 Å²	113	145.5 Å²	145.5	73%	0.734	79%	0.793	S	S	*	*			cis	-137.4	165.6	-21.8	37.1	-20.1	0	0	0	115.4
245	G	24.3	Very low	32.8	Very low	72 Å²	72	144.4 Å²	144.4	74%	0.742	80%	0.799	S	S	*	*			trans	97.9	-179.8	138.3	0	0	0	0	0	120.5
246	M	27.2	Very low	32.8	Very low	194 Å²	194	140.9 Å²	140.9	96%	0.956	80%	0.798	S	S	*	*			trans	73.6	139	165.8	-53	-51.1	-170.9	0	0	121.5
247	M	34.7	Very low	32.8	Very low	178 Å²	178	141.6 Å²	141.6	88%	0.877	80%	0.8	S	S	*	*			trans	-80.3	174.6	155.3	-118.6	-170.6	170.9	0	0	109.2
248	P	47.8	Very low	32.8	Very low	109 Å²	109	144.8 Å²	144.8	71%	0.708	81%	0.805	S	S	*	*			cis	-130.3	-150.3	35	45.4	-25.6	0	0	0	112.4
249	D	26.1	Very low	33.6	Very low	151 Å²	151	142.8 Å²	142.8	81%	0.807	81%	0.807	S	S	*	*				-153.8	168.8	52.4	-145.9	-18.4	0	0	0	114.3
250	Y	34.5	Very low	33.7	Very low	202 Å²	202	136.2 Å²	136.2	79%	0.792	81%	0.807	S	S	*	*			trans	-152.3	141.4	-171.1	-136.1	-55.4	0	0	0	111.4
251	P	46.8	Very low	34	Very low	109 Å²	109	138.6 Å²	138.6	71%	0.708	81%	0.806	S	S	*	*			trans	-118.4	122.2	143.8	-2.7	24	0	0	0	111
252	Q	33	Very low	34.2	Very low	166 Å²	166	138.7 Å²	138.7	78%	0.776	80%	0.796	S	S	*	*				68	140.1	83.5	-71.8	-165.2	0.8	0	0	113.8
253	M	34.8	Very low	34.5	Very low	140 Å²	140	142.8 Å²	142.8	69%	0.69	80%	0.796	S	S	*	*			cis	-164.2	-179.4	1.1	-102.3	-97.4	-92.2	0	0	107.3	M255	M253-M255 HydrophobicContact SD-CG 4.45Å
254	P	44.2	Very low	34.6	Very low	122 Å²	122	139.1 Å²	139.1	79%	0.792	79%	0.791	S	S	*	*			cis	-131.1	-172.1	15.3	42.1	-23.1	0	0	0	116.7
255	M	32.6	Very low	33.9	Very low	178 Å²	178	143.6 Å²	143.6	88%	0.877	79%	0.793	S	S	*	*			trans	-97.6	167.9	-172.3	-73	-136.6	-61.1	0	0	116.3	M253	M253-M255 HydrophobicContact SD-CG 4.45Å
256	G	29.3	Very low	34.1	Very low	70 Å²	70	147.8 Å²	147.8	72%	0.722	80%	0.795	S	S	*	*			trans	-160	51.6	179.4	0	0	0	0	0	119.2
257	Q	32.3	Very low	35.5	Very low	191 Å²	191	143.3 Å²	143.3	89%	0.893	78%	0.781	S	S	*	*			trans	70.9	164.2	155.6	-55.2	-178.7	9.4	0	0	121
258	T	30.1	Very low	35.4	Very low	134 Å²	134	140.5 Å²	140.5	82%	0.822	77%	0.773	S	S	*	*			trans	-155.9	-175.5	-172.1	55.2	0	0	0	0	108.9
259	P	45.8	Very low	34.5	Very low	130 Å²	130	144 Å²	144	84%	0.844	78%	0.78	S	S	*	*			cis	-122.9	-177.7	-30.4	35	-17.7	0	0	0	113.1
260	G	29.4	Very low	34.8	Very low	79 Å²	79	147.2 Å²	147.2	81%	0.814	78%	0.783	S	S	*	*			trans	-174.1	77.4	176.6	0	0	0	0	0	120.6
261	N	32.8	Very low	35.4	Very low	151 Å²	151	143.7 Å²	143.7	81%	0.807	79%	0.785	S	S	*	*			trans	18.9	138.6	145	-92	8.8	0	0	0	125.8
262	T	33.2	Very low	34.8	Very low	101 Å²	101	144.2 Å²	144.2	62%	0.62	79%	0.791	S	S	*	*				87.4	101.8	129.6	53.2	0	0	0	0	126.2
263	M	31.4	Very low	34.7	Very low	166 Å²	166	139.5 Å²	139.5	82%	0.818	79%	0.786	S	S	*	*				60.6	137.5	129.1	38	173.5	179.8	0	0	127.8
264	M	32.3	Very low	35.4	Very low	166 Å²	166	138.6 Å²	138.6	82%	0.818	79%	0.791	S	S	*	*			trans	73.8	160.9	145.5	-61.6	-89.4	-107.2	0	0	120.8
265	R	29.6	Very low	34.8	Very low	207 Å²	207	137.6 Å²	137.6	78%	0.781	79%	0.787	S	S	*	*			cis	-173.5	126.2	-36.4	-171.9	-170.8	-164.4	-148.2	7.1	113
266	M	27.9	Very low	34.9	Very low	159 Å²	159	136.9 Å²	136.9	78%	0.783	78%	0.782	S	S	*	*			trans	66.7	-174.2	158.9	-67.6	-86	-80.8	0	0	118.1
267	P	58	Low	35.1	Very low	101 Å²	101	141.7 Å²	141.7	66%	0.656	79%	0.788	S	S	*	*				-132.6	-161.1	-83.5	43.7	-26	0	0	0	114.1
268	V	31.4	Very low	35	Very low	118 Å²	118	137.8 Å²	137.8	72%	0.715	79%	0.788	S	S	*	*			trans	161.8	121.8	134.3	157.7	0	0	0	0	116.9
269	Q	29.3	Very low	34.8	Very low	182 Å²	182	135.1 Å²	135.1	85%	0.85	79%	0.787	S	S	*	*			trans	45.1	160.2	137.9	-55	174.2	-33.4	0	0	127.6
270	Y	33	Very low	34.2	Very low	220 Å²	220	138.2 Å²	138.2	86%	0.863	79%	0.789	S	S	*	*			trans	-97	169	173.8	-91.1	-95.3	0	0	0	113.4
271	P	46.8	Very low	35.7	Very low	128 Å²	128	139.9 Å²	139.9	83%	0.831	79%	0.786	S	S	*	*				-140.6	-160.8	124.1	38.1	-23.2	0	0	0	115.6
272	S	33.6	Very low	35.7	Very low	120 Å²	120	140.2 Å²	140.2	84%	0.839	78%	0.782	S	S	*	*			trans	-126.5	170.7	-155.1	54.5	0	0	0	0	117.5
273	G	30.2	Very low	35.8	Very low	66 Å²	66	142.3 Å²	142.3	68%	0.68	79%	0.787	S	S	*	*			trans	-85.9	-178.9	173.9	0	0	0	0	0	115.2
274	P	49.9	Very low	35.8	Very low	122 Å²	122	142.6 Å²	142.6	79%	0.792	79%	0.786	S	S	*	*				-161.7	-176.9	84.3	39.3	-16.3	0	0	0	119.4
275	S	32	Very low	36	Very low	101 Å²	101	142.3 Å²	142.3	71%	0.706	78%	0.783	S	S	*	*			trans	70	164.3	155.4	14.6	0	0	0	0	121.5
276	Q	35.3	Very low	36.2	Very low	163 Å²	163	139.7 Å²	139.7	76%	0.762	78%	0.781	S	S	*	*			cis	-168.4	147.2	-28.3	-115.8	-167.5	65.6	0	0	114.1
277	M	31.8	Very low	36.4	Very low	171 Å²	171	140.3 Å²	140.3	84%	0.842	78%	0.782	S	S	*	*			trans	65	156.9	145.9	-73.3	-148.6	-177.1	0	0	128.1
278	A	30.4	Very low	35.2	Very low	109 Å²	109	144.6 Å²	144.6	90%	0.901	79%	0.787	S	S	*	*			trans	77.2	147	162.5	0	0	0	0	0	120.6
279	G	27.1	Very low	35.2	Very low	77 Å²	77	142.5 Å²	142.5	79%	0.794	79%	0.789	S	S	*	*			cis	-169.1	175.9	-0.2	0	0	0	0	0	115.6
280	H	32.6	Very low	35.4	Very low	195 Å²	195	141.5 Å²	141.5	90%	0.903	78%	0.784	S	S	*	*			trans	-89.2	179.9	-171.3	-96.2	-62.9	0	0	0	115.3
281	P	60.1	Low	35.4	Very low	115 Å²	115	139.6 Å²	139.6	75%	0.747	79%	0.786	S	S	*	*			cis	-132.9	-148	28.8	36	-10.1	0	0	0	114
282	H	33.3	Very low	34.7	Very low	157 Å²	157	142.3 Å²	142.3	73%	0.727	79%	0.789	S	S	*	*			cis	-146.6	-128.3	4	-167.3	50.3	0	0	0	114.7
283	M	35.5	Very low	34.7	Very low	146 Å²	146	147.6 Å²	147.6	72%	0.719	79%	0.791	S	S	*	*			trans	-152.4	152	-159.5	-64.7	-173.6	173.7	0	0	117.7
284	Q	32.3	Very low	34.8	Very low	171 Å²	171	149 Å²	149	80%	0.799	80%	0.796	S	S	*	*				179.6	123.4	115.4	-93.7	174.5	7.5	0	0	110
285	Q	35	Very low	34.2	Very low	161 Å²	161	148.4 Å²	148.4	75%	0.752	79%	0.792	S	S	*	*				52	127.5	98.7	-63.3	-169.3	14.4	0	0	115.1
286	M	34.5	Very low	34.5	Very low	151 Å²	151	149.4 Å²	149.4	74%	0.744	80%	0.796	S	S	*	*			cis	-144.2	-152.6	0.9	-124.4	-168.8	-66.9	0	0	109.5
287	Q	32.3	Very low	34.4	Very low	172 Å²	172	147.9 Å²	147.9	80%	0.804	80%	0.798	S	S	*	*			cis	-155.1	-177.8	14.2	-157.9	168.2	-10.5	0	0	112.3
288	Y	32.4	Very low	34.6	Very low	191 Å²	191	145.1 Å²	145.1	75%	0.749	80%	0.795	S	S	*	*			trans	-51.1	150.8	-175.1	-83.5	-101.4	0	0	0	121.9
289	G	32.3	Very low	34.8	Very low	75 Å²	75	146 Å²	146	77%	0.773	79%	0.79	S	S	*	*			trans	177.4	106.6	157.4	0	0	0	0	0	113.8
290	H	33.5	Very low	35	Very low	160 Å²	160	153.8 Å²	153.8	74%	0.741	80%	0.797	S	S	*	*			trans	-75.2	158	177.5	-66.6	-83.6	0	0	0	111.5
291	M	31.7	Very low	34.9	Very low	181 Å²	181	147.4 Å²	147.4	89%	0.892	78%	0.783	S	S	*	*			cis	-139.9	150.9	33.3	-63.9	167.3	-83.3	0	0	112.9
292	M	32.4	Very low	34.1	Very low	185 Å²	185	151.4 Å²	151.4	91%	0.911	79%	0.792	S	S	*	*			trans	-111.8	150.7	-178.2	-89.3	-71.5	-82.4	0	0	113.9
293	R	34.9	Very low	34.1	Very low	231 Å²	231	152 Å²	152	87%	0.872	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-90.1	134.5	179.2	-172.5	178.8	-173.4	168.7	0.6	109.5
294	A	32.2	Very low	34.5	Very low	96 Å²	96	152.9 Å²	152.9	79%	0.793	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-65.9	132.1	-174.2	0	0	0	0	0	113.1
295	P	36.2	Very low	34.6	Very low	108 Å²	108	150.9 Å²	150.9	70%	0.701	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-83.5	161.7	166.9	35.2	-33.9	0	0	0	111.5
296	P	38.2	Very low	34.7	Very low	123 Å²	123	148 Å²	148	80%	0.799	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-71.3	144.8	175.4	30.5	-34.9	0	0	0	111.9
297	V	34.5	Very low	34.7	Very low	130 Å²	130	147.6 Å²	147.6	79%	0.788	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-85.6	118.9	176.8	-178.2	0	0	0	0	110	V299	V297-V299 HydrophobicContact CG1-CG2 4.01Å
298	S	34.3	Very low	34.7	Very low	114 Å²	114	148.6 Å²	148.6	80%	0.797	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-86	117.7	166.7	-62.6	0	0	0	0	109.9
299	V	34.6	Very low	34.6	Very low	128 Å²	128	148.4 Å²	148.4	78%	0.776	80%	0.803	S	S	*	*			trans	-104.3	106.6	170	-177.9	0	0	0	0	108.8	V297 G301	V297-V299 HydrophobicContact CG1-CG2 4.01Å; V299-G301 PolarHBondContact O-N 3Å
300	Y	32	Very low	34.7	Very low	240 Å²	240	148.7 Å²	148.7	94%	0.941	80%	0.798	S	S	*	*			trans	-76.9	107.8	164.5	-110.9	-93.2	0	0	0	108.3
301	G	31.5	Very low	34.7	Very low	60 Å²	60	147.4 Å²	147.4	62%	0.619	80%	0.802	S	S	*	*			trans	-120.9	126.7	169.6	0	0	0	0	0	109.2	V299 M303	V299-G301 PolarHBondContact O-N 3Å; G301-M303 PolarHBondContact O-N 3.43Å
302	Q	43.4	Very low	35.3	Very low	199 Å²	199	144 Å²	144	93%	0.93	79%	0.791	S	S	*	*			trans	-71.6	120	-176.1	-65.3	166.1	-61.3	0	0	110.8
303	M	31.6	Very low	35.4	Very low	171 Å²	171	139 Å²	139	84%	0.842	78%	0.779	S	S	*	*			trans	-129.3	103.6	158.6	-71.7	-160.6	76.1	0	0	109.6	G301 N305	G301-M303 PolarHBondContact O-N 3.43Å; M303-N305 PolarHBondContact O-N 2.74Å
304	N	44.5	Very low	35.4	Very low	163 Å²	163	135.9 Å²	135.9	87%	0.872	77%	0.774	S	S	*	*			trans	-79.3	96.1	171.2	-176.6	27.3	0	0	0	108.9
305	N	33.9	Very low	35.9	Very low	130 Å²	130	136.8 Å²	136.8	70%	0.695	77%	0.772	S	S	*	*			trans	-153.2	107.5	169.6	-109.1	-24.8	0	0	0	110	M303 Q307	M303-N305 PolarHBondContact O-N 2.74Å; N305-Q307 PolarHBondContact O-N 3.06Å
306	A	38.7	Very low	36.1	Very low	101 Å²	101	139 Å²	139	84%	0.835	78%	0.778	S	S	*	*			trans	-78.7	70.5	176.3	0	0	0	0	0	110.8	Q308	A306-Q308 PolarHBondContact O-N 3.45Å; A306-Q308 VanDerWaalsContact O-N 3.13Å
307	Q	32.8	Very low	36.4	Very low	142 Å²	142	138.4 Å²	138.4	66%	0.664	77%	0.774	S	S	*	*			trans	-70.1	106	163	-78.1	-170.6	-31.7	0	0	108.7	N305 Y309	N305-Q307 PolarHBondContact O-N 3.06Å; Q307-Y309 VanDerWaalsContact C-N 3.29Å; Q307-Y309 HydrophobicContact CB-CE2 4.38Å; Q307-Y309 WeakPolarHBondContact O-CD2 3.49Å; Q307-Y309 PolarHBondContact O-N 3.21Å
308	Q	33.4	Very low	37.1	Very low	192 Å²	192	137.7 Å²	137.7	90%	0.897	77%	0.77	S	S	*	*			trans	-61	97	159.1	-73	177.8	-23.3	0	0	107.5	A306 A310	A306-Q308 PolarHBondContact O-N 3.45Å; A306-Q308 VanDerWaalsContact O-N 3.13Å; Q308-A310 PolarHBondContact O-N 3.31Å
309	Y	30.6	Very low	38.1	Very low	187 Å²	187	136.6 Å²	136.6	73%	0.733	76%	0.76	S	S	*	*			trans	-62.8	105.7	164.7	-75.8	-89	0	0	0	107.2	Q307 V311	Q307-Y309 VanDerWaalsContact C-N 3.29Å; Q307-Y309 HydrophobicContact CB-CE2 4.38Å; Q307-Y309 WeakPolarHBondContact O-CD2 3.49Å; Q307-Y309 PolarHBondContact O-N 3.21Å; Y309-V311 PolarHBondContact O-N 3.14Å
310	A	34.4	Very low	39.1	Very low	81 Å²	81	137.4 Å²	137.4	67%	0.669	76%	0.755	S	S	*	*			trans	-56	107	162.5	0	0	0	0	0	106.7	Q308 T312	Q308-A310 PolarHBondContact O-N 3.31Å; A310-T312 PolarHBondContact O-N 3.08Å
311	V	32.8	Very low	40.6	Very low	134 Å²	134	127.9 Å²	127.9	81%	0.812	72%	0.723	S	S	*	*			trans	-73.7	78.4	171.4	-176	0	0	0	0	106.1	Y309 A313	Y309-V311 PolarHBondContact O-N 3.14Å; V311-A313 PolarHBondContact O-N 2.82Å
312	T	43.5	Very low	42.6	Very low	108 Å²	108	129.3 Å²	129.3	66%	0.663	71%	0.711	S	S	*	*			trans	-64.4	81	160.5	50.1	0	0	0	0	106.7	A310 H314	A310-T312 PolarHBondContact O-N 3.08Å; T312-H314 VanDerWaalsContact C-N 3.27Å; T312-H314 PolarHBondContact O-N 3.17Å
313	A	35.1	Very low	44.2	Very low	81 Å²	81	123.4 Å²	123.4	67%	0.669	68%	0.68	S	S	*	*			trans	-56.6	100.9	161.1	0	0	0	0	0	105.6	V311 P315	V311-A313 PolarHBondContact O-N 2.82Å; A313-P315 VanDerWaalsContact O-N 3.13Å
314	H	36.1	Very low	46.9	Very low	165 Å²	165	116.7 Å²	116.7	76%	0.764	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-49.7	125	169.1	-72.3	-76.4	0	0	0	106.6	T312 N316	T312-H314 VanDerWaalsContact C-N 3.27Å; T312-H314 PolarHBondContact O-N 3.17Å; H314-N316 PolarHBondContact O-N 2.86Å
315	P	42.2	Very low	49	Very low	116 Å²	116	113.1 Å²	113.1	75%	0.753	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-54.9	124	179.7	21.7	-32	0	0	0	107.4	A313 P317	A313-P315 VanDerWaalsContact O-N 3.13Å; P315-P317 VanDerWaalsContact O-N 3.14Å
316	N	39.3	Very low	51.7	Low	153 Å²	153	111.7 Å²	111.7	82%	0.818	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-50.6	123.9	-175.6	-131.5	-12	0	0	0	107.4	H314 V318	H314-N316 PolarHBondContact O-N 2.86Å; N316-V318 PolarHBondContact O-N 3.48Å
317	P	45.4	Very low	54.2	Low	111 Å²	111	106.9 Å²	106.9	72%	0.721	58%	0.582	S	S	*	*			trans	-55.9	115.5	-166.1	20	-32.6	0	0	0	109.3	P315 P319	P315-P317 VanDerWaalsContact O-N 3.14Å; P317-P319 VanDerWaalsContact O-N 3.16Å
318	V	49.8	Very low	56.9	Low	116 Å²	116	104.6 Å²	104.6	70%	0.703	57%	0.567	S	S	*	*			trans	-50.9	124.1	-170.8	-179.7	0	0	0	0	108.1	N316 Q320	N316-V318 PolarHBondContact O-N 3.48Å; V318-Q320 PolarHBondContact O-N 2.79Å
319	P	54.2	Low	59.8	Low	91 Å²	91	101 Å²	101	59%	0.591	55%	0.55	S	S	*	*			trans	-54.7	103.4	-172	-29.8	36.4	0	0	0	111.8	P317	P317-P319 VanDerWaalsContact O-N 3.16Å
320	Q	55.6	Low	62.9	Low	144 Å²	144	93.2 Å²	93.2	67%	0.673	52%	0.521	S	S	*	.			trans	-59.2	128.7	-178.8	-76.7	-71.5	-30.8	0	0	109.1	V318 Y322	V318-Q320 PolarHBondContact O-N 2.79Å; Q320-Y322 PolarHBondContact O-N 3.4Å; Q320-Y322 VanDerWaalsContact O-N 3.07Å
321	P	63.6	Low	65.7	Low	40 Å²	40	89.6 Å²	89.6	26%	0.26	49%	0.49	S	S	.	.			trans	-60.1	117	-169.7	21.9	-33	0	0	0	110.6	Y323 Q552	P321-Y323 HydrophobicContact CB-CE1 4.46Å; P321-Y323 HydrophobicContact CB-CE2 4.06Å; P321-Y323 HydrophobicContact CG-CE2 3.92Å; P321-Y323 VanDerWaalsContact O-CD2 3.29Å; P321-Y323 WeakPolarHBondContact O-CD2 3.36Å; P321-Y323 WeakPolarHBondContact O-CE2 3.4Å; P321-Y323 PolarHBondContact O-N 2.85Å; P321-Y323 VanDerWaalsContact O-N 3.16Å; P321-Q552 HydrophobicContact CB-CB 4.01Å; P321-Q552 HydrophobicContact CB-CG 4.11Å
322	Y	72.6	Confident	68.5	Low	91 Å²	91	87.9 Å²	87.9	36%	0.357	47%	0.473	S	S	.	.			trans	-80.9	102	-170.6	173.8	-104.3	0	0	0	112.1	Q320 A556	Q320-Y322 PolarHBondContact O-N 3.4Å; Q320-Y322 VanDerWaalsContact O-N 3.07Å; Y322-A556 HydrophobicContact CD1-CB 3.44Å; Y322-A556 VanDerWaalsContact CD1-CB 3.44Å; Y322-A556 HydrophobicContact CD2-CB 3.78Å; Y322-A556 HydrophobicContact CE1-CB 3.84Å; Y322-A556 HydrophobicContact CE2-CB 4.15Å; Y322-A556 HydrophobicContact CG-CB 3.41Å; Y322-A556 VanDerWaalsContact CG-CB 3.41Å
323	Y	78.2	Confident	70.9	Confident	75 Å²	75	87.1 Å²	87.1	29%	0.294	47%	0.469	S	S	.	.			trans	-91.4	124.7	170.9	-52.5	-63.3	0	0	0	111	P321 P325 F500	P321-Y323 HydrophobicContact CB-CE1 4.46Å; P321-Y323 HydrophobicContact CB-CE2 4.06Å; P321-Y323 HydrophobicContact CG-CE2 3.92Å; P321-Y323 VanDerWaalsContact O-CD2 3.29Å; P321-Y323 WeakPolarHBondContact O-CD2 3.36Å; P321-Y323 WeakPolarHBondContact O-CE2 3.4Å; P321-Y323 PolarHBondContact O-N 2.85Å; P321-Y323 VanDerWaalsContact O-N 3.16Å; Y323-P325 WeakPolarHBondContact O-CD 3.48Å; Y323-F500 AromaticContact CD1-CD2 3.71Å; Y323-F500 HydrophobicContact CD1-CD2 3.71Å; Y323-F500 HydrophobicContact CD1-CE2 4.02Å; Y323-F500 HydrophobicContact CD1-CG 4.22Å; Y323-F500 AromaticContact CE1-CD2 3.48Å; Y323-F500 HydrophobicContact CE1-CD2 3.48Å; Y323-F500 VanDerWaalsContact CE1-CD2 3.48Å; Y323-F500 AromaticContact CE1-CE2 3.41Å; Y323-F500 HydrophobicContact CE1-CE2 3.41Å; Y323-F500 VanDerWaalsContact CE1-CE2 3.41Å; Y323-F500 HydrophobicContact CE1-CG 4.4Å; Y323-F500 HydrophobicContact CE1-CZ 4.27Å
324	H	87.4	Confident	73.8	Confident	30 Å²	30	83.8 Å²	83.8	14%	0.139	44%	0.44	C	S	.	.			trans	-68.2	124.5	176.3	-178	-78	0	0	0	110.3	E326 V327 R328 K497 R498	H324-E326 IonicContact CE1-OE1 2.77Å; H324-E326 IonicContact CE1-OE2 3.19Å; H324-E326 PolarHBondContact ND1-N 2.56Å; H324-E326 PolarHBondContact O-N 2.96Å; H324-V327 HydrophobicContact CB-CB 4.35Å; H324-V327 HydrophobicContact CB-CG2 4.2Å; H324-V327 WeakPolarHBondContact O-CA 3.49Å; H324-V327 WeakPolarHBondContact O-CB 3.38Å; H324-V327 PolarHBondContact O-N 3Å; H324-R328 PolarHBondContact O-N 2.91Å; H324-K497 PolarHBondContact CE1-NZ 3.19Å; H324-K497 PolarHBondContact NE2-NZ 3.3Å; H324-K497 VanDerWaalsContact NE2-NZ 3.18Å; H324-R498 HydrophobicContact CB-CB 4.49Å
325	P	88.6	Confident	76.6	Confident	88 Å²	88	76.7 Å²	76.7	57%	0.571	41%	0.41	S	S	*	.	H	α-helix	trans	-57.1	-42.2	-168.4	-30.1	36.3	0	0	0	115.8	Y323 V327 R328 Q329	Y323-P325 WeakPolarHBondContact O-CD 3.48Å; P325-V327 PolarHBondContact O-N 2.97Å; P325-R328 PolarHBondContact O-N 2.83Å; P325-Q329 PolarHBondContact O-N 3.32Å
326	E	90.4	Very high	79.1	Confident	99 Å²	99	71.3 Å²	71.3	46%	0.463	38%	0.376	S	S	.	.	H	α-helix	trans	-66.5	-22.5	176.5	-62.7	160.9	-147.3	0	0	113	H324 L330 K497	H324-E326 IonicContact CE1-OE1 2.77Å; H324-E326 IonicContact CE1-OE2 3.19Å; H324-E326 PolarHBondContact ND1-N 2.56Å; H324-E326 PolarHBondContact O-N 2.96Å; E326-L330 WeakPolarHBondContact O-CG 3.4Å; E326-K497 IonicContact OE1-NZ 2.6Å; E326-K497 PolarHBondContact OE1-NZ 3.35Å; E326-K497 IonicContact OE2-NZ 3.71Å; E326-K497 PolarHBondContact OE2-NZ 3.44Å
327	V	91.5	Very high	81.7	Confident	1 Å²	1	65.3 Å²	65.3	1%	0.006	34%	0.342	C	S	.	.	H	α-helix	trans	-80.6	-48.5	175.8	174.4	0	0	0	0	108.7	H324 P325 Q329 L330 Y331 K497 F500	H324-V327 HydrophobicContact CB-CB 4.35Å; H324-V327 HydrophobicContact CB-CG2 4.2Å; H324-V327 WeakPolarHBondContact O-CA 3.49Å; H324-V327 WeakPolarHBondContact O-CB 3.38Å; H324-V327 PolarHBondContact O-N 3Å; P325-V327 PolarHBondContact O-N 2.97Å; V327-Q329 VanDerWaalsContact C-N 3.29Å; V327-Q329 PolarHBondContact O-N 2.86Å; V327-L330 WeakPolarHBondContact O-CB 3.35Å; V327-L330 PolarHBondContact O-N 3.14Å; V327-Y331 HydrophobicContact CG1-CD2 4.21Å; V327-Y331 HydrophobicContact CG1-CE2 3.75Å; V327-Y331 WeakPolarHBondContact O-CD2 3.4Å; V327-Y331 PolarHBondContact O-N 2.97Å; V327-K497 HydrophobicContact CG2-CB 4.01Å; V327-F500 HydrophobicContact CG1-CB 4.02Å
328	R	90.9	Very high	84	Confident	93 Å²	93	61.2 Å²	61.2	35%	0.351	31%	0.314	S	S	.	.	H	α-helix	trans	-50.4	-48.3	172.7	175.5	172.8	169.6	144	10.4	111.9	H324 P325 L330 Y331 E332 M725	H324-R328 PolarHBondContact O-N 2.91Å; P325-R328 PolarHBondContact O-N 2.83Å; R328-L330 PolarHBondContact O-N 2.82Å; R328-L330 VanDerWaalsContact O-N 3.15Å; R328-Y331 PolarHBondContact O-N 2.86Å; R328-E332 WeakPolarHBondContact CG-OE1 3.48Å; R328-E332 IonicContact CZ-OE1 3.93Å; R328-E332 VanDerWaalsContact CZ-OE1 3.32Å; R328-E332 IonicContact NE-OE1 2.94Å; R328-E332 PolarHBondContact NE-OE1 2.77Å; R328-E332 IonicContact NH2-OE1 3.81Å; R328-E332 PolarHBondContact NH2-OE1 2.95Å; R328-E332 WeakPolarHBondContact O-CG 3.11Å; R328-E332 PolarHBondContact O-N 3.23Å; R328-E332 VanDerWaalsContact O-N 3.13Å; R328-M725 HydrophobicContact CG-CE 4.35Å
329	Q	93.1	Very high	86	Confident	117 Å²	117	57.2 Å²	57.2	55%	0.547	29%	0.29	S	S	.	.	H	α-helix	trans	-57	-31.7	177.9	-171.9	177.8	8.8	0	0	113	P325 V327 E332 T333	P325-Q329 PolarHBondContact O-N 3.32Å; V327-Q329 VanDerWaalsContact C-N 3.29Å; V327-Q329 PolarHBondContact O-N 2.86Å; Q329-E332 PolarHBondContact O-N 2.91Å; Q329-T333 HydrophobicContact CG-CG2 4.41Å; Q329-T333 WeakPolarHBondContact O-CB 3.19Å; Q329-T333 WeakPolarHBondContact O-CG2 3.5Å; Q329-T333 PolarHBondContact O-N 3.37Å; Q329-T333 VanDerWaalsContact O-N 3.08Å; Q329-T333 PolarHBondContact O-OG1 2.7Å
330	L	95.1	Very high	87.6	Confident	24 Å²	24	56 Å²	56	13%	0.126	28%	0.278	C	S	.	.	H	α-helix	trans	-74.5	-34.6	176.4	-67.7	176.5	0	0	0	112.7	E326 V327 R328 E332 T333 T334 A515 Q516 N519	E326-L330 WeakPolarHBondContact O-CG 3.4Å; V327-L330 WeakPolarHBondContact O-CB 3.35Å; V327-L330 PolarHBondContact O-N 3.14Å; R328-L330 PolarHBondContact O-N 2.82Å; R328-L330 VanDerWaalsContact O-N 3.15Å; L330-E332 VanDerWaalsContact C-N 3.26Å; L330-E332 PolarHBondContact O-N 2.67Å; L330-T333 PolarHBondContact O-N 2.76Å; L330-T334 WeakPolarHBondContact O-CA 3.48Å; L330-T334 WeakPolarHBondContact O-CB 3.16Å; L330-T334 PolarHBondContact O-N 3.12Å; L330-T334 PolarHBondContact O-OG1 3.36Å; L330-A515 HydrophobicContact CB-CB 3.69Å; L330-Q516 HydrophobicContact CD1-CG 4.04Å; L330-Q516 VanDerWaalsContact CD1-NE2 3.26Å; L330-N519 HydrophobicContact CD1-CB 4.45Å; L330-N519 HydrophobicContact CD2-CB 4.21Å; L330-N519 WeakPolarHBondContact CD2-ND2 3.33Å
331	Y	94.6	Very high	89	Confident	4 Å²	4	53.7 Å²	53.7	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-65.1	-33.9	171.7	-74.1	-98.8	0	0	0	111.4	V327 R328 V448 I449 F500 T501 D513 A515	V327-Y331 HydrophobicContact CG1-CD2 4.21Å; V327-Y331 HydrophobicContact CG1-CE2 3.75Å; V327-Y331 WeakPolarHBondContact O-CD2 3.4Å; V327-Y331 PolarHBondContact O-N 2.97Å; R328-Y331 PolarHBondContact O-N 2.86Å; Y331-V448 HydrophobicContact CD1-CB 4.47Å; Y331-V448 HydrophobicContact CD1-CG1 3.73Å; Y331-V448 HydrophobicContact CE1-CG1 3.74Å; Y331-V448 HydrophobicContact CG-CG1 4.41Å; Y331-I449 HydrophobicContact CD1-CG1 4.43Å; Y331-F500 AromaticContact CD1-CD1 3.98Å; Y331-F500 HydrophobicContact CD1-CD1 3.98Å; Y331-F500 HydrophobicContact CD1-CE1 4.16Å; Y331-F500 AromaticContact CD2-CD1 3.78Å; Y331-F500 HydrophobicContact CD2-CD1 3.78Å; Y331-F500 AromaticContact CE1-CD1 3.79Å; Y331-F500 HydrophobicContact CE1-CD1 3.79Å; Y331-F500 HydrophobicContact CE1-CE1 4.22Å; Y331-F500 HydrophobicContact CE2-CB 3.87Å; Y331-F500 AromaticContact CE2-CD1 3.61Å; Y331-F500 HydrophobicContact CE2-CD1 3.61Å; Y331-F500 HydrophobicContact CE2-CG 4.23Å; Y331-F500 AromaticContact CG-CD1 3.98Å; Y331-F500 HydrophobicContact CG-CD1 3.98Å; Y331-F500 HydrophobicContact CG-CE1 4.35Å; Y331-F500 AromaticContact CZ-CD1 3.62Å; Y331-T501 WeakPolarHBondContact OH-CB 3.39Å; Y331-T501 PolarHBondContact OH-N 3.09Å; Y331-T501 VanDerWaalsContact OH-N 3.14Å; Y331-T501 PolarHBondContact OH-OG1 3.28Å; Y331-T501 VanDerWaalsContact OH-OG1 3.07Å; Y331-D513 WeakPolarHBondContact CE2-OD1 3.31Å; Y331-D513 PolarHBondContact OH-OD1 2.81Å; Y331-D513 PolarHBondContact OH-OD2 2.89Å; Y331-A515 HydrophobicContact CD1-CB 4.37Å; Y331-A515 HydrophobicContact CD2-CB 3.5Å; Y331-A515 VanDerWaalsContact CD2-CB 3.5Å; Y331-A515 HydrophobicContact CE1-CB 4.25Å; Y331-A515 HydrophobicContact CE2-CB 3.32Å; Y331-A515 HydrophobicContact CG-CB 4.02Å
332	E	91.8	Very high	89.9	Confident	98 Å²	98	55.7 Å²	55.7	46%	0.458	27%	0.269	S	S	.	.	H	α-helix	trans	-75.7	-22.9	177.8	-66.5	166.5	163.9	0	0	113.8	R328 Q329 L330 M725	R328-E332 WeakPolarHBondContact CG-OE1 3.48Å; R328-E332 IonicContact CZ-OE1 3.93Å; R328-E332 VanDerWaalsContact CZ-OE1 3.32Å; R328-E332 IonicContact NE-OE1 2.94Å; R328-E332 PolarHBondContact NE-OE1 2.77Å; R328-E332 IonicContact NH2-OE1 3.81Å; R328-E332 PolarHBondContact NH2-OE1 2.95Å; R328-E332 WeakPolarHBondContact O-CG 3.11Å; R328-E332 PolarHBondContact O-N 3.23Å; R328-E332 VanDerWaalsContact O-N 3.13Å; Q329-E332 PolarHBondContact O-N 2.91Å; L330-E332 VanDerWaalsContact C-N 3.26Å; L330-E332 PolarHBondContact O-N 2.67Å; E332-M725 HydrophobicContact CG-CE 4.06Å
333	T	93.8	Very high	90.1	Very high	93 Å²	93	52.4 Å²	52.4	57%	0.571	26%	0.258	S	S	*	.	H	α-helix	trans	-125.4	-15.5	-171.2	60	0	0	0	0	116	Q329 L330	Q329-T333 HydrophobicContact CG-CG2 4.41Å; Q329-T333 WeakPolarHBondContact O-CB 3.19Å; Q329-T333 WeakPolarHBondContact O-CG2 3.5Å; Q329-T333 PolarHBondContact O-N 3.37Å; Q329-T333 VanDerWaalsContact O-N 3.08Å; Q329-T333 PolarHBondContact O-OG1 2.7Å; L330-T333 PolarHBondContact O-N 2.76Å
334	T	95.3	Very high	89.8	Confident	11 Å²	11	50 Å²	50	7%	0.067	25%	0.25	C	C	.	.			trans	-93	145	-177.2	-51.4	0	0	0	0	110.9	L330 V448 I518 N519	L330-T334 WeakPolarHBondContact O-CA 3.48Å; L330-T334 WeakPolarHBondContact O-CB 3.16Å; L330-T334 PolarHBondContact O-N 3.12Å; L330-T334 PolarHBondContact O-OG1 3.36Å; T334-V448 HydrophobicContact CG2-CG2 3.65Å; T334-V448 PolarHBondContact O-N 3.39Å; T334-I518 HydrophobicContact CG2-CB 4.28Å; T334-I518 HydrophobicContact CG2-CG2 3.91Å; T334-N519 HydrophobicContact CG2-CB 3.8Å
335	A	95.1	Very high	88.8	Confident	16 Å²	16	51.8 Å²	51.8	13%	0.132	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	155.1	168.6	0	0	0	0	0	109.9	R445 K446	A335-R445 HydrophobicContact CB-CG 4.1Å; A335-K446 CarbonylContact C-O 3.59Å; A335-K446 WeakPolarHBondContact CA-O 3.12Å; A335-K446 VanDerWaalsContact CB-O 3.25Å; A335-K446 WeakPolarHBondContact CB-O 3.46Å
336	G	94.6	Very high	88.6	Confident	3 Å²	3	50.8 Å²	50.8	3%	0.031	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	-160.4	166.6	0	0	0	0	0	110.3	K446	G336-K446 PolarHBondContact N-O 2.95Å; G336-K446 PolarHBondContact O-N 3.13Å
337	Y	94.2	Very high	88.4	Confident	26 Å²	26	46.7 Å²	46.7	10%	0.102	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	141.6	179.1	-57.4	-64.7	0	0	0	111	L377 F413 V443 R445 T525	Y337-L377 HydrophobicContact CD2-CD2 4.16Å; Y337-L377 HydrophobicContact CE2-CD2 4.18Å; Y337-F413 HydrophobicContact CE1-CE1 4.26Å; Y337-F413 AromaticContact CE1-CZ 3.83Å; Y337-F413 HydrophobicContact CE1-CZ 3.83Å; Y337-F413 AromaticContact CZ-CZ 3.76Å; Y337-F413 VanDerWaalsContact OH-CZ 3.3Å; Y337-F413 WeakPolarHBondContact OH-CZ 3.45Å; Y337-V443 HydrophobicContact CD1-CB 4.23Å; Y337-V443 HydrophobicContact CD1-CG2 4.21Å; Y337-V443 HydrophobicContact CG-CB 4.3Å; Y337-R445 HydrophobicContact CD1-CB 4.01Å; Y337-R445 HydrophobicContact CD1-CG 4.29Å; Y337-R445 HydrophobicContact CE1-CB 3.81Å; Y337-R445 HydrophobicContact CE1-CG 3.83Å; Y337-T525 HydrophobicContact CD2-CG2 4.42Å
338	I	92.7	Very high	88.2	Confident	25 Å²	25	50.8 Å²	50.8	13%	0.128	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	140.8	156.5	-63.3	-61.5	0	0	0	107	V443 T444 K446 L451 I454 F538	I338-V443 VanDerWaalsContact O-CA 3.27Å; I338-V443 WeakPolarHBondContact O-CA 3.49Å; I338-T444 PolarHBondContact N-O 3.42Å; I338-T444 PolarHBondContact O-N 2.97Å; I338-T444 VanDerWaalsContact O-N 3.07Å; I338-K446 HydrophobicContact CG1-CG 3.93Å; I338-L451 HydrophobicContact CD1-CD2 3.47Å; I338-L451 VanDerWaalsContact CD1-CD2 3.47Å; I338-L451 HydrophobicContact CG1-CD2 3.8Å; I338-I454 HydrophobicContact CD1-CD1 3.97Å; I338-I454 HydrophobicContact CD1-CG2 4.46Å; I338-I454 HydrophobicContact CG1-CD1 3.93Å; I338-F538 HydrophobicContact CD1-CD1 3.39Å; I338-F538 HydrophobicContact CD1-CE1 3.56Å; I338-F538 HydrophobicContact CD1-CG 4.14Å; I338-F538 HydrophobicContact CD1-CZ 4.42Å
339	V	91.9	Very high	88	Confident	33 Å²	33	46.4 Å²	46.4	20%	0.2	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	116.8	169.8	175.1	0	0	0	0	107.9	E441 F442 V443 T525	V339-E441 HydrophobicContact CG1-CB 4.02Å; V339-E441 HydrophobicContact CG1-CG 4.16Å; V339-E441 HydrophobicContact CG2-CB 4.19Å; V339-E441 HydrophobicContact CG2-CG 4.39Å; V339-F442 CarbonylContact C-O 3.58Å; V339-F442 WeakPolarHBondContact CA-O 3.36Å; V339-V443 HydrophobicContact CG2-CG1 4.35Å; V339-T525 HydrophobicContact CG2-CG2 3.92Å
340	D	88.5	Confident	87.4	Confident	66 Å²	66	43.6 Å²	43.6	35%	0.353	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-32.7	-179.6	-55.8	-48.5	0	0	0	111.2	F367 T374 F442 T444	D340-F367 HydrophobicContact CB-CE1 4.3Å; D340-F367 HydrophobicContact CB-CZ 4.16Å; D340-T374 WeakPolarHBondContact OD2-CG2 3.42Å; D340-T374 PolarHBondContact OD2-OG1 2.72Å; D340-F442 HydrophobicContact CB-CB 4.39Å; D340-F442 PolarHBondContact N-O 2.94Å; D340-T444 PolarHBondContact OD1-OG1 3.03Å; D340-T444 WeakPolarHBondContact OD2-CB 3.43Å; D340-T444 PolarHBondContact OD2-N 3.33Å; D340-T444 PolarHBondContact OD2-OG1 3.49Å
341	R	85.4	Confident	86.6	Confident	95 Å²	95	45.4 Å²	45.4	36%	0.358	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	153.7	179.6	177.7	174.2	179.6	165.7	-2.4	109.7	T361 D363 F442	R341-T361 PolarHBondContact NH2-OG1 2.85Å; R341-D363 IonicContact CZ-OD2 2.65Å; R341-D363 VanDerWaalsContact CZ-OD2 3.23Å; R341-D363 IonicContact NH1-OD2 2.69Å; R341-D363 PolarHBondContact NH1-OD2 3.06Å; R341-D363 IonicContact NH2-OD1 3.68Å; R341-D363 IonicContact NH2-OD2 3.32Å; R341-D363 PolarHBondContact NH2-OD2 2.89Å; R341-F442 HydrophobicContact CB-CB 4.09Å; R341-F442 HydrophobicContact CB-CD2 3.61Å; R341-F442 HydrophobicContact CB-CE2 4.35Å; R341-F442 HydrophobicContact CB-CG 4.09Å; R341-F442 HydrophobicContact CG-CD2 3.75Å; R341-F442 HydrophobicContact CG-CE2 4.02Å; R341-F442 WeakPolarHBondContact O-CB 3.1Å; R341-F442 WeakPolarHBondContact O-CD2 3.44Å; R341-F442 PolarHBondContact O-N 3.43Å
342	E	81.9	Confident	85.4	Confident	82 Å²	82	48.3 Å²	48.3	38%	0.383	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	132.4	168.4	-59.3	-171.3	168.4	0	0	109.7	A345 E441 K537	E342-A345 WeakPolarHBondContact OE2-CA 3.41Å; E342-E441 HydrophobicContact CG-CG 4.48Å; E342-K537 IonicContact OE1-NZ 3.75Å; E342-K537 PolarHBondContact OE1-NZ 2.87Å
343	L	77.2	Confident	84.3	Confident	22 Å²	22	44.6 Å²	44.6	12%	0.115	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-41.5	172.2	-179.6	55.9	0	0	0	110.9	L360 V376 L418 C440 F442	L343-L360 HydrophobicContact CD1-CB 4.45Å; L343-L360 HydrophobicContact CD1-CD1 3.85Å; L343-L360 HydrophobicContact CD2-CD1 4.38Å; L343-V376 HydrophobicContact CD2-CG1 3.86Å; L343-L418 HydrophobicContact CD2-CD1 3.94Å; L343-L418 HydrophobicContact CD2-CD2 4.39Å; L343-C440 WeakPolarHBondContact CA-O 3.29Å; L343-C440 HydrophobicContact CB-CB 4.48Å; L343-C440 WeakPolarHBondContact CB-O 3.42Å; L343-C440 PolarHBondContact N-O 2.68Å; L343-F442 HydrophobicContact CB-CD2 4.07Å; L343-F442 HydrophobicContact CB-CE2 3.52Å; L343-F442 HydrophobicContact CB-CZ 4.17Å; L343-F442 HydrophobicContact CD1-CE2 3.95Å; L343-F442 HydrophobicContact CD1-CZ 3.95Å; L343-F442 HydrophobicContact CD2-CZ 4.42Å; L343-F442 HydrophobicContact CG-CE2 4.2Å; L343-F442 HydrophobicContact CG-CZ 4.4Å
344	L	72.3	Confident	83	Confident	24 Å²	24	47.3 Å²	47.3	13%	0.126	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	133.8	157.8	-71.2	-179.4	0	0	0	108.1	V356 A358 I425 Y438 C440	L344-V356 HydrophobicContact CD1-CG1 3.92Å; L344-V356 HydrophobicContact CD2-CG1 4.24Å; L344-A358 HydrophobicContact CD1-CB 4.06Å; L344-A358 HydrophobicContact CD2-CB 3.71Å; L344-A358 HydrophobicContact CG-CB 3.78Å; L344-I425 HydrophobicContact CD1-CD1 3.93Å; L344-Y438 HydrophobicContact CD1-CE2 4.04Å; L344-C440 HydrophobicContact CB-CB 3.96Å; L344-C440 HydrophobicContact CD1-CB 4.49Å; L344-C440 HydrophobicContact CG-CB 4.33Å; L344-C440 PolarHBondContact N-O 3.16Å
345	A	66.4	Low	81.7	Confident	67 Å²	67	47.8 Å²	47.8	55%	0.554	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.8	157.5	166.2	0	0	0	0	0	110.8	E342 G347	E342-A345 WeakPolarHBondContact OE2-CA 3.41Å; A345-G347 PolarHBondContact O-N 2.89Å
346	E	84.4	Confident	80.8	Confident	68 Å²	68	49.3 Å²	49.3	32%	0.318	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	117.5	-176.5	-176.2	174.1	129.6	0	0	112.6	W381 K437 Y438 R526	E346-W381 HydrophobicContact CG-CH2 3.93Å; E346-W381 HydrophobicContact CG-CZ2 3.86Å; E346-K437 HydrophobicContact CG-CD 4.41Å; E346-K437 WeakPolarHBondContact OE1-CD 3.02Å; E346-K437 WeakPolarHBondContact OE1-CE 3.43Å; E346-K437 IonicContact OE1-NZ 3.21Å; E346-K437 PolarHBondContact OE1-NZ 3.06Å; E346-Y438 WeakPolarHBondContact CA-O 3.16Å; E346-R526 IonicContact OE2-CZ 2.67Å; E346-R526 VanDerWaalsContact OE2-CZ 3.26Å; E346-R526 IonicContact OE2-NE 2.69Å; E346-R526 PolarHBondContact OE2-NE 2.96Å; E346-R526 IonicContact OE2-NH2 3.61Å; E346-R526 PolarHBondContact OE2-NH2 3.34Å
347	G	85.8	Confident	80.1	Confident	12 Å²	12	55.3 Å²	55.3	12%	0.124	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	162.9	-174.6	0	0	0	0	0	113.9	A345 K437 Y438	A345-G347 PolarHBondContact O-N 2.89Å; G347-K437 CarbonylContact O-C 3.52Å; G347-K437 VanDerWaalsContact O-CA 3.23Å; G347-K437 WeakPolarHBondContact O-CA 3.28Å; G347-Y438 PolarHBondContact N-O 3.1Å; G347-Y438 WeakPolarHBondContact O-CD1 3.29Å; G347-Y438 PolarHBondContact O-N 2.83Å
348	H	87.8	Confident	79.4	Confident	87 Å²	87	54.1 Å²	54.1	40%	0.403	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	142.1	171.2	-65.2	88.5	0	0	0	110.3	T350 Q434 K437	H348-T350 PolarHBondContact O-N 3.43Å; H348-Q434 VanDerWaalsContact CB-OE1 3.28Å; H348-K437 WeakPolarHBondContact NE2-CE 3.37Å
349	V	86	Confident	78.9	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.012	34%	0.335	C	S	.	.			trans	-81	114.6	174.3	-175.9	0	0	0	0	109.1	I380 I427 Y429 Q434 Y436 Y438	V349-I380 HydrophobicContact CG2-CD1 4Å; V349-I380 HydrophobicContact CG2-CG1 4.48Å; V349-I427 HydrophobicContact CG1-CB 4.46Å; V349-I427 HydrophobicContact CG1-CG2 3.67Å; V349-I427 HydrophobicContact CG2-CD1 4.14Å; V349-I427 HydrophobicContact CG2-CG2 4.35Å; V349-Y429 VanDerWaalsContact CG1-CB 3.45Å; V349-Y429 HydrophobicContact CG1-CD1 3.71Å; V349-Y429 HydrophobicContact CG1-CD2 4.1Å; V349-Y429 HydrophobicContact CG1-CE1 4.49Å; V349-Y429 HydrophobicContact CG1-CG 3.48Å; V349-Y429 VanDerWaalsContact CG1-CG 3.48Å; V349-Q434 WeakPolarHBondContact O-CA 3.29Å; V349-Y436 PolarHBondContact N-O 2.95Å; V349-Y438 HydrophobicContact CG2-CD1 3.78Å
350	T	81.3	Confident	78.6	Confident	57 Å²	57	57.4 Å²	57.4	35%	0.35	33%	0.327	S	S	.	.			trans	-90.6	138.2	179.2	34.8	0	0	0	0	112.2	H348 G352 S353 Q434	H348-T350 PolarHBondContact O-N 3.43Å; T350-G352 PolarHBondContact O-N 3.29Å; T350-S353 PolarHBondContact O-N 2.91Å; T350-S353 VanDerWaalsContact OG1-CB 3.26Å; T350-S353 WeakPolarHBondContact OG1-CB 3.48Å; T350-Q434 HydrophobicContact CG2-CG 4.2Å
351	P	77.2	Confident	78.3	Confident	62 Å²	62	56.4 Å²	56.4	40%	0.403	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	132.2	168.6	-23.3	33.1	0	0	0	110.7	S353 Y429 G431	P351-S353 VanDerWaalsContact C-N 3.29Å; P351-S353 PolarHBondContact O-N 2.98Å; P351-Y429 HydrophobicContact CB-CD1 4.5Å; P351-Y429 HydrophobicContact CG-CD1 4.31Å; P351-Y429 HydrophobicContact CG-CE1 4.01Å; P351-G431 WeakPolarHBondContact CB-O 3.17Å; P351-G431 WeakPolarHBondContact CG-O 3.35Å
352	G	69.7	Low	78.2	Confident	65 Å²	65	57.9 Å²	57.9	67%	0.67	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	26.5	179.7	0	0	0	0	0	115	T350 N354	T350-G352 PolarHBondContact O-N 3.29Å; G352-N354 PolarHBondContact O-N 3.23Å
353	S	68.9	Low	78.3	Confident	20 Å²	20	57.8 Å²	57.8	14%	0.14	34%	0.336	C	S	.	.			trans	-63.6	133.7	175.2	95.5	0	0	0	0	111.4	T350 P351 G355 I427	T350-S353 PolarHBondContact O-N 2.91Å; T350-S353 VanDerWaalsContact OG1-CB 3.26Å; T350-S353 WeakPolarHBondContact OG1-CB 3.48Å; P351-S353 VanDerWaalsContact C-N 3.29Å; P351-S353 PolarHBondContact O-N 2.98Å; S353-G355 PolarHBondContact O-N 3.33Å; S353-G355 VanDerWaalsContact O-N 3.14Å; S353-G355 PolarHBondContact OG-N 3.5Å; S353-I427 PolarHBondContact OG-O 3.16Å
354	N	66.8	Low	78.6	Confident	150 Å²	150	56.8 Å²	56.8	80%	0.802	33%	0.331	S	S	*	.			trans	-80.5	27.2	169.5	-64.5	-25.5	0	0	0	111.7	G352 H426	G352-N354 PolarHBondContact O-N 3.23Å; N354-H426 PolarHBondContact O-CD2 2.83Å; N354-H426 VanDerWaalsContact O-CD2 3.26Å
355	G	68.2	Low	79.2	Confident	22 Å²	22	56.3 Å²	56.3	23%	0.227	33%	0.33	C	S	.	.			trans	75.9	-173	-171.8	0	0	0	0	0	115.2	S353 I425 H426	S353-G355 PolarHBondContact O-N 3.33Å; S353-G355 VanDerWaalsContact O-N 3.14Å; S353-G355 PolarHBondContact OG-N 3.5Å; G355-I425 WeakPolarHBondContact CA-O 3.39Å; G355-H426 PolarHBondContact N-CD2 3.44Å
356	V	76.7	Confident	80.1	Confident	48 Å²	48	55.9 Å²	55.9	29%	0.291	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	131.7	-178.5	177.8	0	0	0	0	108.5	L344 I425	L344-V356 HydrophobicContact CD1-CG1 3.92Å; L344-V356 HydrophobicContact CD2-CG1 4.24Å; V356-I425 PolarHBondContact N-O 2.89Å; V356-I425 PolarHBondContact O-N 3.4Å
357	E	79.7	Confident	80.2	Confident	129 Å²	129	55.5 Å²	55.5	60%	0.603	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	130.7	176.1	-60.6	-168.6	134.5	0	0	110.4	M422 N423	E357-M422 HydrophobicContact CB-CG 4.4Å; E357-M422 HydrophobicContact CB-SD 4.28Å; E357-M422 WeakPolarHBondContact OE2-CE 3.12Å; E357-N423 WeakPolarHBondContact CA-O 3.46Å
358	A	79.6	Confident	80.3	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.008	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	113.9	179.8	0	0	0	0	0	109.2	L344 L360 N423 I425	L344-A358 HydrophobicContact CD1-CB 4.06Å; L344-A358 HydrophobicContact CD2-CB 3.71Å; L344-A358 HydrophobicContact CG-CB 3.78Å; A358-L360 PolarHBondContact O-N 3.26Å; A358-N423 HydrophobicContact CB-CB 4.46Å; A358-N423 PolarHBondContact N-O 2.98Å; A358-N423 WeakPolarHBondContact O-CB 3.49Å; A358-N423 PolarHBondContact O-N 3.27Å; A358-I425 HydrophobicContact CB-CD1 3.95Å; A358-I425 HydrophobicContact CB-CG1 4.21Å
359	M	81	Confident	80.1	Confident	120 Å²	120	57.5 Å²	57.5	59%	0.591	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	107	177	-169.3	176.7	-65.6	0	0	110.1	T361 M422	M359-T361 HydrophobicContact CG-CG2 3.96Å; M359-T361 PolarHBondContact O-N 3.49Å; M359-T361 VanDerWaalsContact O-N 3.16Å; M359-T361 HydrophobicContact SD-CG2 4.06Å; M359-M422 HydrophobicContact CE-SD 4.48Å
360	L	84.8	Confident	80.2	Confident	6 Å²	6	62.8 Å²	62.8	3%	0.031	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	91.4	165.6	-173.7	68.6	0	0	0	108	L343 A358 A364 L368 L418 I419 G421 N423 F442	L343-L360 HydrophobicContact CD1-CB 4.45Å; L343-L360 HydrophobicContact CD1-CD1 3.85Å; L343-L360 HydrophobicContact CD2-CD1 4.38Å; A358-L360 PolarHBondContact O-N 3.26Å; L360-A364 HydrophobicContact CD1-CB 3.78Å; L360-L368 HydrophobicContact CD1-CD1 4.29Å; L360-L368 HydrophobicContact CD2-CD1 4.41Å; L360-L418 HydrophobicContact CD2-CB 4.23Å; L360-L418 HydrophobicContact CD2-CD1 4.5Å; L360-I419 WeakPolarHBondContact CD2-O 3.34Å; L360-G421 PolarHBondContact N-O 3.5Å; L360-G421 WeakPolarHBondContact O-CA 3.48Å; L360-G421 PolarHBondContact O-N 3.29Å; L360-N423 WeakPolarHBondContact CB-ND2 3.36Å; L360-F442 HydrophobicContact CD1-CE1 4.19Å; L360-F442 HydrophobicContact CD1-CZ 3.74Å
361	T	83.1	Confident	80.5	Confident	46 Å²	46	61 Å²	61	28%	0.282	34%	0.342	S	S	.	.			trans	-62.3	157.2	178.4	54.9	0	0	0	0	111.7	R341 M359 D363 A364 S365	R341-T361 PolarHBondContact NH2-OG1 2.85Å; M359-T361 HydrophobicContact CG-CG2 3.96Å; M359-T361 PolarHBondContact O-N 3.49Å; M359-T361 VanDerWaalsContact O-N 3.16Å; M359-T361 HydrophobicContact SD-CG2 4.06Å; T361-D363 VanDerWaalsContact C-N 3.34Å; T361-D363 WeakPolarHBondContact CB-OD1 3.39Å; T361-D363 PolarHBondContact O-N 3.29Å; T361-D363 PolarHBondContact OG1-OD1 3.44Å; T361-A364 WeakPolarHBondContact O-CA 3.4Å; T361-A364 WeakPolarHBondContact O-CB 3.47Å; T361-A364 PolarHBondContact O-N 3.05Å; T361-S365 PolarHBondContact O-N 2.98Å
362	H	82.9	Confident	80.8	Confident	125 Å²	125	63.1 Å²	63.1	58%	0.579	36%	0.356	S	S	*	.	H	α-helix	trans	-60.4	-41.9	-171.7	-164.4	-68.2	0	0	0	112.4	A364 S365 D366	H362-A364 VanDerWaalsContact C-N 3.27Å; H362-A364 PolarHBondContact O-N 2.99Å; H362-S365 WeakPolarHBondContact O-CB 3.38Å; H362-S365 PolarHBondContact O-N 2.94Å; H362-D366 IonicContact CE1-OD1 2.73Å; H362-D366 IonicContact CE1-OD2 3.51Å; H362-D366 PolarHBondContact CE1-OD2 3.39Å; H362-D366 IonicContact ND1-OD1 3.26Å; H362-D366 IonicContact ND1-OD2 2.7Å; H362-D366 PolarHBondContact ND1-OD2 3.12Å; H362-D366 VanDerWaalsContact O-CG 3.3Å; H362-D366 PolarHBondContact O-N 3.01Å
363	D	84.8	Confident	81.7	Confident	81 Å²	81	66.7 Å²	66.7	43%	0.433	36%	0.355	S	S	.	.	H	α-helix	trans	-58.7	-36.6	173.6	66.6	-54.2	0	0	0	112.6	R341 T361 F367	R341-D363 IonicContact CZ-OD2 2.65Å; R341-D363 VanDerWaalsContact CZ-OD2 3.23Å; R341-D363 IonicContact NH1-OD2 2.69Å; R341-D363 PolarHBondContact NH1-OD2 3.06Å; R341-D363 IonicContact NH2-OD1 3.68Å; R341-D363 IonicContact NH2-OD2 3.32Å; R341-D363 PolarHBondContact NH2-OD2 2.89Å; T361-D363 VanDerWaalsContact C-N 3.34Å; T361-D363 WeakPolarHBondContact CB-OD1 3.39Å; T361-D363 PolarHBondContact O-N 3.29Å; T361-D363 PolarHBondContact OG1-OD1 3.44Å; D363-F367 VanDerWaalsContact O-CB 3.24Å; D363-F367 WeakPolarHBondContact O-CB 3.43Å; D363-F367 PolarHBondContact O-N 3.4Å
364	A	84.3	Confident	82.8	Confident	1 Å²	1	66 Å²	66	1%	0.008	35%	0.35	C	S	.	.	H	α-helix	trans	-78.1	-32.2	178.7	0	0	0	0	0	112.3	L360 T361 H362 L368 F442	L360-A364 HydrophobicContact CD1-CB 3.78Å; T361-A364 WeakPolarHBondContact O-CA 3.4Å; T361-A364 WeakPolarHBondContact O-CB 3.47Å; T361-A364 PolarHBondContact O-N 3.05Å; H362-A364 VanDerWaalsContact C-N 3.27Å; H362-A364 PolarHBondContact O-N 2.99Å; A364-L368 PolarHBondContact O-N 2.96Å; A364-F442 HydrophobicContact CB-CE1 4.39Å; A364-F442 HydrophobicContact CB-CZ 3.79Å
365	S	84.6	Confident	84.1	Confident	14 Å²	14	61 Å²	61	10%	0.098	32%	0.323	C	S	.	.	H	α-helix	trans	-65.5	-44.2	167.9	-173.8	0	0	0	0	111.3	T361 H362 L368 K369	T361-S365 PolarHBondContact O-N 2.98Å; H362-S365 WeakPolarHBondContact O-CB 3.38Å; H362-S365 PolarHBondContact O-N 2.94Å; S365-L368 PolarHBondContact O-N 3.28Å; S365-K369 WeakPolarHBondContact O-CE 3.43Å; S365-K369 WeakPolarHBondContact O-CG 3.09Å; S365-K369 PolarHBondContact O-N 3.34Å; S365-K369 VanDerWaalsContact OG-CE 3.29Å; S365-K369 WeakPolarHBondContact OG-CE 3.2Å; S365-K369 PolarHBondContact OG-NZ 2.91Å
366	D	85.3	Confident	85.2	Confident	57 Å²	57	60 Å²	60	31%	0.305	31%	0.312	S	S	.	.	H	α-helix	trans	-66.6	-40.8	176.7	-67.7	-27	0	0	0	112.1	H362 L368 K369 V370	H362-D366 IonicContact CE1-OD1 2.73Å; H362-D366 IonicContact CE1-OD2 3.51Å; H362-D366 PolarHBondContact CE1-OD2 3.39Å; H362-D366 IonicContact ND1-OD1 3.26Å; H362-D366 IonicContact ND1-OD2 2.7Å; H362-D366 PolarHBondContact ND1-OD2 3.12Å; H362-D366 VanDerWaalsContact O-CG 3.3Å; H362-D366 PolarHBondContact O-N 3.01Å; D366-L368 VanDerWaalsContact C-N 3.26Å; D366-L368 PolarHBondContact O-N 2.99Å; D366-K369 WeakPolarHBondContact O-CA 3.3Å; D366-K369 WeakPolarHBondContact O-CB 3.27Å; D366-K369 PolarHBondContact O-N 2.95Å; D366-K369 IonicContact OD1-NZ 2.95Å; D366-K369 PolarHBondContact OD1-NZ 3.05Å; D366-V370 PolarHBondContact O-N 3.41Å
367	F	85.9	Confident	86.1	Confident	60 Å²	60	57.8 Å²	57.8	26%	0.263	30%	0.299	S	S	.	.	H	α-helix	trans	-54.1	-41.7	173.2	179.6	-118.9	0	0	0	112.1	D340 D363 K369 S371 T374 F442	D340-F367 HydrophobicContact CB-CE1 4.3Å; D340-F367 HydrophobicContact CB-CZ 4.16Å; D363-F367 VanDerWaalsContact O-CB 3.24Å; D363-F367 WeakPolarHBondContact O-CB 3.43Å; D363-F367 PolarHBondContact O-N 3.4Å; F367-K369 VanDerWaalsContact C-N 3.29Å; F367-K369 PolarHBondContact O-N 2.85Å; F367-S371 WeakPolarHBondContact CD2-OG 3.38Å; F367-S371 WeakPolarHBondContact CE2-OG 3.41Å; F367-S371 WeakPolarHBondContact O-CB 3.48Å; F367-S371 PolarHBondContact O-N 2.95Å; F367-S371 PolarHBondContact O-OG 2.93Å; F367-T374 HydrophobicContact CE1-CG2 3.84Å; F367-T374 HydrophobicContact CZ-CG2 4.29Å; F367-F442 HydrophobicContact CD1-CD1 4.05Å; F367-F442 HydrophobicContact CD1-CE1 4.45Å; F367-F442 HydrophobicContact CE1-CB 4.38Å; F367-F442 HydrophobicContact CE1-CD1 4.25Å; F367-F442 HydrophobicContact CE1-CG 4.49Å
368	L	86.8	Confident	86.7	Confident	16 Å²	16	51.6 Å²	51.6	8%	0.084	27%	0.27	C	S	.	.	H	α-helix	trans	-69	-20.9	175.2	-76.4	171	0	0	0	114.9	L360 A364 S365 D366 T374 V376 K415 F442	L360-L368 HydrophobicContact CD1-CD1 4.29Å; L360-L368 HydrophobicContact CD2-CD1 4.41Å; A364-L368 PolarHBondContact O-N 2.96Å; S365-L368 PolarHBondContact O-N 3.28Å; D366-L368 VanDerWaalsContact C-N 3.26Å; D366-L368 PolarHBondContact O-N 2.99Å; L368-T374 HydrophobicContact CD2-CG2 4.5Å; L368-V376 HydrophobicContact CD1-CG2 3.79Å; L368-V376 HydrophobicContact CD2-CG2 3.78Å; L368-V376 HydrophobicContact CG-CG2 4.38Å; L368-K415 HydrophobicContact CD2-CD 4.06Å; L368-K415 HydrophobicContact CD2-CG 4.49Å; L368-K415 WeakPolarHBondContact O-CE 3.12Å; L368-K415 PolarHBondContact O-NZ 3.21Å; L368-F442 HydrophobicContact CD1-CD1 4.43Å; L368-F442 HydrophobicContact CD1-CE1 3.76Å; L368-F442 HydrophobicContact CD2-CD1 3.87Å; L368-F442 HydrophobicContact CD2-CE1 4.03Å; L368-F442 HydrophobicContact CG-CD1 4.06Å; L368-F442 HydrophobicContact CG-CE1 3.72Å
369	K	84.8	Confident	87.3	Confident	125 Å²	125	51.6 Å²	51.6	54%	0.543	27%	0.27	S	S	.	.	H	α-helix	trans	-83.6	-45.2	175.1	-60.8	163	-152.7	160.1	0	110.9	S365 D366 F367	S365-K369 WeakPolarHBondContact O-CE 3.43Å; S365-K369 WeakPolarHBondContact O-CG 3.09Å; S365-K369 PolarHBondContact O-N 3.34Å; S365-K369 VanDerWaalsContact OG-CE 3.29Å; S365-K369 WeakPolarHBondContact OG-CE 3.2Å; S365-K369 PolarHBondContact OG-NZ 2.91Å; D366-K369 WeakPolarHBondContact O-CA 3.3Å; D366-K369 WeakPolarHBondContact O-CB 3.27Å; D366-K369 PolarHBondContact O-N 2.95Å; D366-K369 IonicContact OD1-NZ 2.95Å; D366-K369 PolarHBondContact OD1-NZ 3.05Å; F367-K369 VanDerWaalsContact C-N 3.29Å; F367-K369 PolarHBondContact O-N 2.85Å
370	V	87.8	Confident	87.7	Confident	114 Å²	114	45.9 Å²	45.9	69%	0.691	24%	0.242	S	C	*	.	H	α-helix	trans	-81.8	-21.5	-178.2	-54.8	0	0	0	0	113.6	D366 P372	D366-V370 PolarHBondContact O-N 3.41Å; V370-P372 VanDerWaalsContact C-CD 3.46Å; V370-P372 WeakPolarHBondContact O-CD 3.44Å
371	S	87.4	Confident	87.9	Confident	18 Å²	18	45.9 Å²	45.9	13%	0.126	24%	0.241	C	C	.	.			trans	-107.3	79	176.3	-50.9	0	0	0	0	110.5	F367 Q373 T374	F367-S371 WeakPolarHBondContact CD2-OG 3.38Å; F367-S371 WeakPolarHBondContact CE2-OG 3.41Å; F367-S371 WeakPolarHBondContact O-CB 3.48Å; F367-S371 PolarHBondContact O-N 2.95Å; F367-S371 PolarHBondContact O-OG 2.93Å; S371-Q373 PolarHBondContact O-N 3.02Å; S371-Q373 VanDerWaalsContact O-N 3.16Å; S371-T374 WeakPolarHBondContact CB-OG1 3.45Å; S371-T374 PolarHBondContact O-N 2.82Å
372	P	84.3	Confident	88.1	Confident	107 Å²	107	45.7 Å²	45.7	70%	0.695	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-22.9	-176.6	27	-36.2	0	0	0	113.2	V370 T374	V370-P372 VanDerWaalsContact C-CD 3.46Å; V370-P372 WeakPolarHBondContact O-CD 3.44Å; P372-T374 VanDerWaalsContact C-N 3.3Å
373	Q	88.3	Confident	88.1	Confident	141 Å²	141	42.8 Å²	42.8	66%	0.659	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-7.7	175.5	64	-140.4	-20.2	0	0	114.7	S371 T444	S371-Q373 PolarHBondContact O-N 3.02Å; S371-Q373 VanDerWaalsContact O-N 3.16Å; Q373-T444 HydrophobicContact CG-CG2 4.45Å
374	T	92.5	Very high	87.6	Confident	4 Å²	4	42.4 Å²	42.4	3%	0.025	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	128.3	178.3	-54.7	0	0	0	0	110.6	D340 F367 L368 S371 P372 K415 F442 V443 T444	D340-T374 WeakPolarHBondContact OD2-CG2 3.42Å; D340-T374 PolarHBondContact OD2-OG1 2.72Å; F367-T374 HydrophobicContact CE1-CG2 3.84Å; F367-T374 HydrophobicContact CZ-CG2 4.29Å; L368-T374 HydrophobicContact CD2-CG2 4.5Å; S371-T374 WeakPolarHBondContact CB-OG1 3.45Å; S371-T374 PolarHBondContact O-N 2.82Å; P372-T374 VanDerWaalsContact C-N 3.3Å; T374-K415 PolarHBondContact O-NZ 3.01Å; T374-F442 HydrophobicContact CG2-CB 4.05Å; T374-V443 WeakPolarHBondContact CA-O 3.5Å; T374-T444 PolarHBondContact OG1-OG1 2.98Å
375	D	92.6	Very high	86.8	Confident	46 Å²	46	49.9 Å²	49.9	25%	0.246	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	175	176.1	-148.7	-43.8	0	0	0	110.2	F413 K415 F442 V443	D375-F413 HydrophobicContact CB-CD1 3.62Å; D375-F413 HydrophobicContact CB-CE1 3.76Å; D375-F413 WeakPolarHBondContact OD1-CD1 3.46Å; D375-F413 WeakPolarHBondContact OD2-CD1 3.21Å; D375-K415 VanDerWaalsContact OD1-CB 3.24Å; D375-K415 WeakPolarHBondContact OD1-CB 3.19Å; D375-F442 CarbonylContact O-C 3.25Å; D375-F442 WeakPolarHBondContact O-CA 3.5Å; D375-V443 HydrophobicContact CB-CG2 4.32Å; D375-V443 PolarHBondContact N-O 2.96Å; D375-V443 PolarHBondContact O-N 2.73Å
376	V	93.1	Very high	85.9	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	113.9	168.7	-174	0	0	0	0	109	L343 L368 F413 I414 L418 E441 F442	L343-V376 HydrophobicContact CD2-CG1 3.86Å; L368-V376 HydrophobicContact CD1-CG2 3.79Å; L368-V376 HydrophobicContact CD2-CG2 3.78Å; L368-V376 HydrophobicContact CG-CG2 4.38Å; V376-F413 CarbonylContact O-C 3.56Å; V376-F413 WeakPolarHBondContact O-CA 3.49Å; V376-I414 HydrophobicContact CB-CG1 4.1Å; V376-I414 HydrophobicContact CG1-CD1 4.19Å; V376-I414 HydrophobicContact CG1-CG1 3.82Å; V376-I414 PolarHBondContact O-N 3.3Å; V376-L418 HydrophobicContact CB-CD1 4.01Å; V376-L418 HydrophobicContact CG1-CD1 4.08Å; V376-L418 HydrophobicContact CG2-CD1 3.79Å; V376-E441 WeakPolarHBondContact CA-O 2.62Å; V376-F442 HydrophobicContact CG2-CD1 3.91Å; V376-F442 HydrophobicContact CG2-CE1 3.97Å
377	L	93.8	Very high	85	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	121.3	178.5	-169.1	81	0	0	0	110.1	Y337 S379 F413 E441 V443 T525	Y337-L377 HydrophobicContact CD2-CD2 4.16Å; Y337-L377 HydrophobicContact CE2-CD2 4.18Å; L377-S379 WeakPolarHBondContact CD2-OG 3.45Å; L377-F413 HydrophobicContact CB-CD1 4.29Å; L377-F413 HydrophobicContact CB-CE1 4.37Å; L377-F413 HydrophobicContact CD1-CD1 3.66Å; L377-F413 HydrophobicContact CD1-CE1 3.68Å; L377-F413 HydrophobicContact CD1-CG 4.15Å; L377-F413 HydrophobicContact CD1-CZ 4.18Å; L377-E441 PolarHBondContact N-O 3.03Å; L377-E441 PolarHBondContact O-N 2.94Å; L377-V443 HydrophobicContact CB-CG1 4.17Å; L377-V443 HydrophobicContact CB-CG2 3.67Å; L377-T525 HydrophobicContact CD2-CG2 3.82Å
378	F	92.9	Very high	84.3	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	129	161.9	-179.5	-87.8	0	0	0	108.9	I380 V395 M403 S411 I412 I414 I425 I427 Y438 C440	F378-I380 HydrophobicContact CE1-CB 3.93Å; F378-I380 HydrophobicContact CE1-CG2 4.09Å; F378-I380 HydrophobicContact CZ-CB 4.45Å; F378-V395 HydrophobicContact CD1-CG1 4.29Å; F378-V395 HydrophobicContact CE1-CB 4.42Å; F378-V395 HydrophobicContact CE1-CG1 3.82Å; F378-V395 HydrophobicContact CE1-CG2 3.88Å; F378-V395 HydrophobicContact CE2-CG1 4.35Å; F378-V395 HydrophobicContact CZ-CG1 3.85Å; F378-V395 HydrophobicContact CZ-CG2 4.19Å; F378-M403 HydrophobicContact CD1-CE 4.09Å; F378-S411 CarbonylContact O-C 3.56Å; F378-S411 WeakPolarHBondContact O-CA 3.44Å; F378-I412 HydrophobicContact CB-CG2 4.43Å; F378-I412 PolarHBondContact N-O 3.13Å; F378-I412 PolarHBondContact O-N 3.28Å; F378-I414 HydrophobicContact CB-CD1 4.37Å; F378-I414 HydrophobicContact CB-CG2 3.84Å; F378-I425 HydrophobicContact CD2-CG2 4.25Å; F378-I425 HydrophobicContact CE2-CG2 3.82Å; F378-I427 HydrophobicContact CE2-CD1 4.32Å; F378-I427 HydrophobicContact CZ-CD1 3.87Å; F378-I427 HydrophobicContact CZ-CG1 4.4Å; F378-Y438 AromaticContact CE2-CD2 3.93Å; F378-Y438 HydrophobicContact CE2-CD2 3.93Å; F378-Y438 HydrophobicContact CE2-CG 4.25Å; F378-Y438 HydrophobicContact CZ-CD2 4.42Å; F378-Y438 HydrophobicContact CZ-CG 4.27Å; F378-C440 HydrophobicContact CD2-CB 4.33Å
379	S	91.9	Very high	83.6	Confident	0 Å²	0	61 Å²	61	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	143.5	175.9	-65.9	0	0	0	0	110.9	L377 W381 S411 Y438 A439	L377-S379 WeakPolarHBondContact CD2-OG 3.45Å; S379-W381 WeakPolarHBondContact O-CZ3 2.85Å; S379-S411 WeakPolarHBondContact OG-CB 3.35Å; S379-Y438 CarbonylContact O-C 3.45Å; S379-Y438 WeakPolarHBondContact O-CA 3.44Å; S379-Y438 WeakPolarHBondContact O-CB 3.43Å; S379-A439 PolarHBondContact N-O 3.39Å; S379-A439 PolarHBondContact O-N 3.15Å
380	I	90	Very high	83.3	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	128.2	177.6	-176.5	172.4	0	0	0	110.8	V349 F378 Y393 M403 K410 Y436 K437	V349-I380 HydrophobicContact CG2-CD1 4Å; V349-I380 HydrophobicContact CG2-CG1 4.48Å; F378-I380 HydrophobicContact CE1-CB 3.93Å; F378-I380 HydrophobicContact CE1-CG2 4.09Å; F378-I380 HydrophobicContact CZ-CB 4.45Å; I380-Y393 HydrophobicContact CD1-CD1 4.12Å; I380-Y393 HydrophobicContact CD1-CD2 3.95Å; I380-Y393 HydrophobicContact CD1-CE1 4.11Å; I380-Y393 HydrophobicContact CD1-CE2 3.95Å; I380-Y393 HydrophobicContact CD1-CG 4.05Å; I380-Y393 HydrophobicContact CG2-CE2 3.99Å; I380-M403 HydrophobicContact CG2-CE 4.29Å; I380-M403 HydrophobicContact CG2-SD 3.43Å; I380-M403 WeakPolarHBondContact CG2-SD 3.38Å; I380-K410 PolarHBondContact N-O 2.94Å; I380-K410 WeakPolarHBondContact O-CB 3.46Å; I380-Y436 HydrophobicContact CG1-CD1 4.11Å; I380-Y436 HydrophobicContact CG1-CG 4.45Å; I380-K437 CarbonylContact C-O 3.59Å; I380-K437 VanDerWaalsContact CA-O 3.32Å; I380-K437 WeakPolarHBondContact CA-O 3.3Å; I380-K437 WeakPolarHBondContact CG1-O 3.37Å
381	W	89.2	Confident	82.9	Confident	6 Å²	6	55.9 Å²	55.9	2%	0.023	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	148.4	-174.2	62.6	93	0	0	0	112.3	E346 S379 Y436 K437 A439 R526 Y535	E346-W381 HydrophobicContact CG-CH2 3.93Å; E346-W381 HydrophobicContact CG-CZ2 3.86Å; S379-W381 WeakPolarHBondContact O-CZ3 2.85Å; W381-Y436 VanDerWaalsContact C-CD1 3.5Å; W381-Y436 WeakPolarHBondContact O-CA 3.41Å; W381-K437 HydrophobicContact CD2-CB 4.28Å; W381-K437 HydrophobicContact CH2-CB 4.33Å; W381-K437 HydrophobicContact CZ2-CB 3.59Å; W381-K437 HydrophobicContact CZ2-CD 4.23Å; W381-K437 PolarHBondContact N-O 2.92Å; W381-K437 PolarHBondContact O-N 2.65Å; W381-A439 HydrophobicContact CH2-CB 3.8Å; W381-A439 HydrophobicContact CZ3-CB 4.05Å; W381-R526 HydrophobicContact CD2-CB 4.25Å; W381-R526 HydrophobicContact CD2-CG 4.26Å; W381-R526 HydrophobicContact CE3-CB 4.35Å; W381-R526 HydrophobicContact CE3-CG 4.17Å; W381-R526 HydrophobicContact CH2-CG 3.59Å; W381-R526 HydrophobicContact CZ2-CB 4.43Å; W381-R526 HydrophobicContact CZ2-CG 3.65Å; W381-R526 HydrophobicContact CZ3-CB 4.5Å; W381-R526 HydrophobicContact CZ3-CG 3.84Å; W381-Y535 HydrophobicContact CB-CD1 4.46Å; W381-Y535 HydrophobicContact CB-CE1 3.73Å; W381-Y535 AromaticContact CD1-CD1 3.55Å; W381-Y535 AromaticContact CD1-CD2 3.74Å; W381-Y535 AromaticContact CD1-CE1 3.5Å; W381-Y535 VanDerWaalsContact CD1-CE1 3.5Å; W381-Y535 AromaticContact CD1-CE2 3.7Å; W381-Y535 AromaticContact CD1-CG 3.66Å; W381-Y535 AromaticContact CD1-CZ 3.58Å; W381-Y535 HydrophobicContact CG-CD1 4.01Å; W381-Y535 AromaticContact CG-CE1 3.74Å; W381-Y535 HydrophobicContact CG-CE1 3.74Å; W381-Y535 AromaticContact NE1-CG 3.88Å
382	P	86.9	Confident	82.8	Confident	42 Å²	42	57.7 Å²	57.7	27%	0.273	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	137.2	-179.4	28.8	-34.4	0	0	0	111.5	M435 Y436 Y535	P382-M435 CarbonylContact C-O 3.59Å; P382-M435 VanDerWaalsContact CA-O 3.3Å; P382-M435 WeakPolarHBondContact CA-O 3.35Å; P382-Y436 HydrophobicContact CB-CD1 4.1Å; P382-Y436 HydrophobicContact CB-CE1 3.79Å; P382-Y436 HydrophobicContact CG-CE1 4.32Å; P382-Y535 WeakPolarHBondContact CD-OH 3.07Å; P382-Y535 WeakPolarHBondContact O-CE2 3.31Å; P382-Y535 PolarHBondContact O-OH 3.15Å
383	V	82.9	Confident	82.9	Confident	65 Å²	65	53 Å²	53	39%	0.394	29%	0.285	S	S	.	.	S	Bend	trans	-74.9	-36.4	175.6	-175.1	0	0	0	0	110.9	M435 K437	V383-M435 PolarHBondContact N-O 2.96Å; V383-K437 HydrophobicContact CG2-CB 4.18Å; V383-K437 HydrophobicContact CG2-CD 4.16Å; V383-K437 HydrophobicContact CG2-CG 3.72Å
384	T	75.4	Confident	83	Confident	73 Å²	73	49.1 Å²	49.1	45%	0.448	27%	0.267	S	S	.	.	S	Bend	trans	-130.5	153.3	179.7	60.9	0	0	0	0	110.3	S386 M435	T384-S386 PolarHBondContact O-N 3.46Å; T384-M435 WeakPolarHBondContact OG1-CE 3.34Å
385	K	67.1	Low	82.9	Confident	158 Å²	158	49 Å²	49	69%	0.687	27%	0.266	S	S	*	.			trans	-78.9	70.3	177.2	-64.2	-171.2	-173.6	179.3	0	111.4	N533	K385-N533 VanDerWaalsContact CE-OD1 3.24Å; K385-N533 WeakPolarHBondContact CE-OD1 3.43Å; K385-N533 PolarHBondContact NZ-OD1 2.92Å
386	S	66.1	Low	82.9	Confident	50 Å²	50	50 Å²	50	35%	0.35	27%	0.267	S	S	.	.			trans	-85.6	144.2	159	-175.7	0	0	0	0	110.1	T384 D388	T384-S386 PolarHBondContact O-N 3.46Å; S386-D388 PolarHBondContact OG-N 3.31Å
387	N	64.6	Low	82.8	Confident	168 Å²	168	50 Å²	50	90%	0.898	27%	0.267	S	S	*	.			trans	-123.2	21.9	178.9	-140.8	54	0	0	0	110.9	P389	N387-P389 WeakPolarHBondContact O-CD 3.2Å
388	D	73	Confident	82.7	Confident	61 Å²	61	51.6 Å²	51.6	33%	0.326	28%	0.276	S	S	.	.			trans	-69.4	115.8	-179.7	177.4	3.4	0	0	0	110.7	S386 N390 I391	S386-D388 PolarHBondContact OG-N 3.31Å; D388-N390 PolarHBondContact O-N 2.95Å; D388-N390 WeakPolarHBondContact OD1-CB 3.45Å; D388-N390 PolarHBondContact OD1-N 3.39Å; D388-N390 PolarHBondContact OD1-ND2 3.06Å; D388-I391 HydrophobicContact CB-CD1 3.84Å; D388-I391 HydrophobicContact CB-CG1 3.93Å; D388-I391 PolarHBondContact O-N 3.22Å
389	P	71.8	Confident	82.5	Confident	100 Å²	100	60.5 Å²	60.5	65%	0.649	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-10	-177.3	31.9	-37.4	0	0	0	113.6	N387 I391 Q392	N387-P389 WeakPolarHBondContact O-CD 3.2Å; P389-I391 VanDerWaalsContact C-N 3.26Å; P389-Q392 PolarHBondContact O-NE2 2.71Å
390	N	77.4	Confident	82.6	Confident	118 Å²	118	66.3 Å²	66.3	63%	0.631	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-18.6	174.1	-57	-68.6	0	0	0	112.1	D388 Q392	D388-N390 PolarHBondContact O-N 2.95Å; D388-N390 WeakPolarHBondContact OD1-CB 3.45Å; D388-N390 PolarHBondContact OD1-N 3.39Å; D388-N390 PolarHBondContact OD1-ND2 3.06Å; N390-Q392 PolarHBondContact O-N 3.07Å
391	I	79.1	Confident	82.7	Confident	15 Å²	15	68.9 Å²	68.9	8%	0.077	36%	0.36	C	S	.	.			trans	-81.9	109.9	-177.9	-55.5	-178.4	0	0	0	109.8	D388 P389 Y429 N430 M435 Y436	D388-I391 HydrophobicContact CB-CD1 3.84Å; D388-I391 HydrophobicContact CB-CG1 3.93Å; D388-I391 PolarHBondContact O-N 3.22Å; P389-I391 VanDerWaalsContact C-N 3.26Å; I391-Y429 HydrophobicContact CG2-CE2 3.53Å; I391-N430 WeakPolarHBondContact CA-O 3.47Å; I391-M435 HydrophobicContact CD1-CG 4.15Å; I391-Y436 HydrophobicContact CG2-CE2 3.84Å
392	Q	85.4	Confident	82.9	Confident	56 Å²	56	69.2 Å²	69.2	26%	0.262	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	150.7	-176.1	-58.1	-61.1	-23.8	0	0	111.4	P389 N390 S405 H406 Y429 N430	P389-Q392 PolarHBondContact O-NE2 2.71Å; N390-Q392 PolarHBondContact O-N 3.07Å; Q392-S405 WeakPolarHBondContact CA-OG 3.3Å; Q392-S405 VanDerWaalsContact OE1-CB 3.29Å; Q392-S405 PolarHBondContact OE1-OG 3.37Å; Q392-H406 PolarHBondContact OE1-CE1 3.44Å; Q392-Y429 WeakPolarHBondContact O-CD2 3.39Å; Q392-N430 PolarHBondContact N-O 3.14Å; Q392-N430 PolarHBondContact O-N 3.1Å
393	Y	87.1	Confident	83.1	Confident	8 Å²	8	67.3 Å²	67.3	3%	0.031	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	153.7	171.9	60	-103	0	0	0	112.4	I380 V395 M403 N404 S405 K410 V428 Y436	I380-Y393 HydrophobicContact CD1-CD1 4.12Å; I380-Y393 HydrophobicContact CD1-CD2 3.95Å; I380-Y393 HydrophobicContact CD1-CE1 4.11Å; I380-Y393 HydrophobicContact CD1-CE2 3.95Å; I380-Y393 HydrophobicContact CD1-CG 4.05Å; I380-Y393 HydrophobicContact CG2-CE2 3.99Å; Y393-V395 HydrophobicContact CD2-CG2 4.26Å; Y393-M403 HydrophobicContact CE2-SD 4.34Å; Y393-N404 CarbonylContact O-C 3.49Å; Y393-N404 VanDerWaalsContact O-CA 3.24Å; Y393-N404 WeakPolarHBondContact O-CA 3.49Å; Y393-N404 WeakPolarHBondContact O-CB 3.4Å; Y393-S405 PolarHBondContact N-OG 2.81Å; Y393-S405 PolarHBondContact O-N 2.99Å; Y393-S405 PolarHBondContact O-OG 3.4Å; Y393-K410 WeakPolarHBondContact OH-CD 3.39Å; Y393-K410 WeakPolarHBondContact OH-CE 3.29Å; Y393-K410 PolarHBondContact OH-NZ 3.39Å; Y393-V428 CarbonylContact C-O 3.57Å; Y393-V428 WeakPolarHBondContact CA-O 3.47Å; Y393-V428 WeakPolarHBondContact CB-O 3.49Å; Y393-Y436 HydrophobicContact CD1-CD1 4.44Å; Y393-Y436 HydrophobicContact CD1-CD2 4.21Å; Y393-Y436 HydrophobicContact CD1-CE1 4.28Å; Y393-Y436 HydrophobicContact CD1-CE2 4.01Å; Y393-Y436 HydrophobicContact CD1-CG 4.43Å; Y393-Y436 AromaticContact CE1-CD1 3.94Å; Y393-Y436 HydrophobicContact CE1-CD1 3.94Å; Y393-Y436 HydrophobicContact CE1-CD2 4.43Å; Y393-Y436 AromaticContact CE1-CE1 3.56Å; Y393-Y436 HydrophobicContact CE1-CE1 3.56Å; Y393-Y436 HydrophobicContact CE1-CE2 4.08Å; Y393-Y436 HydrophobicContact CE1-CG 4.37Å; Y393-Y436 AromaticContact CE1-CZ 3.64Å
394	E	90.3	Very high	83.5	Confident	60 Å²	60	66.7 Å²	66.7	28%	0.28	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	134.6	167.3	-169	170.3	-166.9	0	0	109.8	Y396 S401 M403 N404 I427 V428	E394-Y396 HydrophobicContact CB-CE2 3.95Å; E394-Y396 VanDerWaalsContact CD-OH 3.3Å; E394-Y396 HydrophobicContact CG-CD2 4.16Å; E394-Y396 HydrophobicContact CG-CE2 3.54Å; E394-Y396 PolarHBondContact OE2-OH 3.38Å; E394-S401 VanDerWaalsContact OE1-CB 3.3Å; E394-S401 WeakPolarHBondContact OE1-CB 3.43Å; E394-S401 PolarHBondContact OE1-OG 3.2Å; E394-M403 CarbonylContact C-O 3.45Å; E394-M403 WeakPolarHBondContact CA-O 3.26Å; E394-N404 HydrophobicContact CB-CB 4.45Å; E394-N404 HydrophobicContact CG-CB 4.29Å; E394-I427 CarbonylContact O-C 3.59Å; E394-V428 HydrophobicContact CB-CB 4.42Å; E394-V428 PolarHBondContact N-O 2.9Å; E394-V428 PolarHBondContact O-N 3.42Å
395	V	91.2	Very high	83.9	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	124.5	-175.6	-175.2	0	0	0	0	108.3	F378 Y393 I397 V402 M403 I427	F378-V395 HydrophobicContact CD1-CG1 4.29Å; F378-V395 HydrophobicContact CE1-CB 4.42Å; F378-V395 HydrophobicContact CE1-CG1 3.82Å; F378-V395 HydrophobicContact CE1-CG2 3.88Å; F378-V395 HydrophobicContact CE2-CG1 4.35Å; F378-V395 HydrophobicContact CZ-CG1 3.85Å; F378-V395 HydrophobicContact CZ-CG2 4.19Å; Y393-V395 HydrophobicContact CD2-CG2 4.26Å; V395-I397 HydrophobicContact CG1-CD1 4.36Å; V395-V402 HydrophobicContact CB-CG2 4.16Å; V395-V402 HydrophobicContact CG1-CG2 3.95Å; V395-V402 WeakPolarHBondContact O-CG2 3.48Å; V395-V402 PolarHBondContact O-N 3.49Å; V395-M403 HydrophobicContact CB-CB 4.18Å; V395-M403 HydrophobicContact CG2-CB 4.3Å; V395-M403 PolarHBondContact N-O 3.45Å; V395-M403 PolarHBondContact O-N 3.35Å; V395-I427 HydrophobicContact CG1-CG1 4.43Å; V395-I427 HydrophobicContact CG2-CG1 4.44Å; V395-I427 HydrophobicContact CG2-CG2 4.37Å
396	Y	91.4	Very high	84.8	Confident	67 Å²	67	63.6 Å²	63.6	26%	0.263	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	135.8	175	-60	-112.1	0	0	0	109.8	E394 K400 I425 H426 V428	E394-Y396 HydrophobicContact CB-CE2 3.95Å; E394-Y396 VanDerWaalsContact CD-OH 3.3Å; E394-Y396 HydrophobicContact CG-CD2 4.16Å; E394-Y396 HydrophobicContact CG-CE2 3.54Å; E394-Y396 PolarHBondContact OE2-OH 3.38Å; Y396-K400 CarbonylContact C-O 3.57Å; Y396-K400 WeakPolarHBondContact CA-O 3.3Å; Y396-I425 CarbonylContact O-C 3.47Å; Y396-H426 PolarHBondContact N-O 3.18Å; Y396-H426 PolarHBondContact O-N 2.91Å; Y396-V428 HydrophobicContact CD2-CG2 4.13Å; Y396-V428 HydrophobicContact CE2-CG2 3.69Å
397	I	92.2	Very high	85.8	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	119.4	170.9	-50.9	-64.1	0	0	0	107.2	V395 Q399 K400 V402 I414 F417 L418 I425	V395-I397 HydrophobicContact CG1-CD1 4.36Å; I397-Q399 VanDerWaalsContact C-N 3.3Å; I397-Q399 PolarHBondContact O-N 3.22Å; I397-K400 PolarHBondContact N-O 3.3Å; I397-K400 WeakPolarHBondContact O-CB 3.09Å; I397-K400 PolarHBondContact O-N 3.02Å; I397-V402 HydrophobicContact CB-CG1 4.11Å; I397-V402 HydrophobicContact CD1-CG2 4.46Å; I397-V402 HydrophobicContact CG1-CB 4.4Å; I397-V402 HydrophobicContact CG1-CG1 3.76Å; I397-V402 HydrophobicContact CG1-CG2 3.72Å; I397-I414 HydrophobicContact CD1-CD1 3.97Å; I397-I414 HydrophobicContact CD1-CG2 4.42Å; I397-I414 HydrophobicContact CG1-CB 4.38Å; I397-I414 HydrophobicContact CG1-CD1 4.36Å; I397-I414 HydrophobicContact CG1-CG2 4.05Å; I397-I414 HydrophobicContact CG2-CD1 4.48Å; I397-F417 HydrophobicContact CB-CB 3.91Å; I397-F417 HydrophobicContact CG2-CB 3.68Å; I397-L418 HydrophobicContact CG2-CD2 4.33Å; I397-I425 HydrophobicContact CD1-CB 4.16Å; I397-I425 HydrophobicContact CD1-CD1 4.03Å; I397-I425 HydrophobicContact CD1-CG1 3.74Å; I397-I425 HydrophobicContact CD1-CG2 3.82Å
398	N	91.6	Very high	86.5	Confident	37 Å²	37	66 Å²	66	20%	0.198	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.8	51.6	-177.6	-62.5	-35.4	0	0	0	112.2	K400 F417 N423 S424	N398-K400 PolarHBondContact O-N 3.16Å; N398-K400 VanDerWaalsContact O-N 3.13Å; N398-F417 PolarHBondContact ND2-O 2.88Å; N398-N423 PolarHBondContact ND2-OD1 3.02Å; N398-N423 VanDerWaalsContact OD1-CA 3.3Å; N398-N423 WeakPolarHBondContact OD1-CA 3.49Å; N398-S424 PolarHBondContact N-O 3.41Å; N398-S424 PolarHBondContact OD1-N 3.37Å
399	Q	89	Confident	86.8	Confident	187 Å²	187	67 Å²	67	87%	0.874	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	0.4	-177.1	-52.8	179.5	46.9	0	0	116.5	I397	I397-Q399 VanDerWaalsContact C-N 3.3Å; I397-Q399 PolarHBondContact O-N 3.22Å
400	K	92.9	Very high	87.5	Confident	121 Å²	121	65 Å²	65	53%	0.526	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	123.5	173.4	-60.9	169.9	-178.9	173	0	109.9	Y396 I397 N398 V402 F417	Y396-K400 CarbonylContact C-O 3.57Å; Y396-K400 WeakPolarHBondContact CA-O 3.3Å; I397-K400 PolarHBondContact N-O 3.3Å; I397-K400 WeakPolarHBondContact O-CB 3.09Å; I397-K400 PolarHBondContact O-N 3.02Å; N398-K400 PolarHBondContact O-N 3.16Å; N398-K400 VanDerWaalsContact O-N 3.13Å; K400-V402 PolarHBondContact O-N 3.27Å; K400-F417 HydrophobicContact CB-CD1 4.04Å; K400-F417 HydrophobicContact CB-CE1 4.26Å; K400-F417 HydrophobicContact CD-CD1 3.8Å; K400-F417 HydrophobicContact CD-CE1 4.25Å
401	S	92.3	Very high	88.2	Confident	54 Å²	54	59.8 Å²	59.8	38%	0.378	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	132	171.7	179.8	0	0	0	0	110.4	E394	E394-S401 VanDerWaalsContact OE1-CB 3.3Å; E394-S401 WeakPolarHBondContact OE1-CB 3.43Å; E394-S401 PolarHBondContact OE1-OG 3.2Å
402	V	92.8	Very high	88.9	Confident	14 Å²	14	61.1 Å²	61.1	9%	0.085	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	-27.1	-178.4	-55.5	0	0	0	0	113.7	V395 I397 K400 I412 F417	V395-V402 HydrophobicContact CB-CG2 4.16Å; V395-V402 HydrophobicContact CG1-CG2 3.95Å; V395-V402 WeakPolarHBondContact O-CG2 3.48Å; V395-V402 PolarHBondContact O-N 3.49Å; I397-V402 HydrophobicContact CB-CG1 4.11Å; I397-V402 HydrophobicContact CD1-CG2 4.46Å; I397-V402 HydrophobicContact CG1-CB 4.4Å; I397-V402 HydrophobicContact CG1-CG1 3.76Å; I397-V402 HydrophobicContact CG1-CG2 3.72Å; K400-V402 PolarHBondContact O-N 3.27Å; V402-I412 HydrophobicContact CB-CD1 4.41Å; V402-I412 HydrophobicContact CG2-CG2 4.18Å; V402-I412 WeakPolarHBondContact O-CD1 3.46Å; V402-F417 HydrophobicContact CG1-CD1 3.55Å; V402-F417 HydrophobicContact CG1-CD2 4.38Å; V402-F417 HydrophobicContact CG1-CE1 3.5Å; V402-F417 HydrophobicContact CG1-CE2 4.33Å; V402-F417 HydrophobicContact CG1-CG 4.02Å; V402-F417 HydrophobicContact CG1-CZ 3.91Å
403	M	91.8	Very high	89.3	Confident	2 Å²	2	62.2 Å²	62.2	1%	0.01	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	145.2	-177.5	-166.2	-168.9	-59	0	0	111.6	F378 I380 Y393 E394 V395 M407 S411 I412	F378-M403 HydrophobicContact CD1-CE 4.09Å; I380-M403 HydrophobicContact CG2-CE 4.29Å; I380-M403 HydrophobicContact CG2-SD 3.43Å; I380-M403 WeakPolarHBondContact CG2-SD 3.38Å; Y393-M403 HydrophobicContact CE2-SD 4.34Å; E394-M403 CarbonylContact C-O 3.45Å; E394-M403 WeakPolarHBondContact CA-O 3.26Å; V395-M403 HydrophobicContact CB-CB 4.18Å; V395-M403 HydrophobicContact CG2-CB 4.3Å; V395-M403 PolarHBondContact N-O 3.45Å; V395-M403 PolarHBondContact O-N 3.35Å; M403-M407 HydrophobicContact CB-SD 4.3Å; M403-M407 HydrophobicContact CG-SD 3.93Å; M403-S411 VanDerWaalsContact CE-C 3.45Å; M403-I412 HydrophobicContact CE-CB 3.85Å; M403-I412 HydrophobicContact CE-CG2 3.59Å
404	N	90.4	Very high	89.6	Confident	51 Å²	51	61.9 Å²	61.9	27%	0.273	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	166.2	167.4	63.3	56.9	0	0	0	112.6	Y393 E394 H406 M407	Y393-N404 CarbonylContact O-C 3.49Å; Y393-N404 VanDerWaalsContact O-CA 3.24Å; Y393-N404 WeakPolarHBondContact O-CA 3.49Å; Y393-N404 WeakPolarHBondContact O-CB 3.4Å; E394-N404 HydrophobicContact CB-CB 4.45Å; E394-N404 HydrophobicContact CG-CB 4.29Å; N404-H406 PolarHBondContact O-N 2.88Å; N404-H406 WeakPolarHBondContact OD1-CB 3.3Å; N404-H406 PolarHBondContact OD1-N 3.49Å; N404-H406 VanDerWaalsContact OD1-N 3.14Å; N404-M407 WeakPolarHBondContact O-CB 3.35Å; N404-M407 PolarHBondContact O-N 2.84Å; N404-M407 PolarHBondContact OD1-N 2.95Å
405	S	85.9	Confident	89.6	Confident	20 Å²	20	61.7 Å²	61.7	14%	0.14	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-30.9	-179.5	34.4	0	0	0	0	114.3	Q392 Y393 M407 K410	Q392-S405 WeakPolarHBondContact CA-OG 3.3Å; Q392-S405 VanDerWaalsContact OE1-CB 3.29Å; Q392-S405 PolarHBondContact OE1-OG 3.37Å; Y393-S405 PolarHBondContact N-OG 2.81Å; Y393-S405 PolarHBondContact O-N 2.99Å; Y393-S405 PolarHBondContact O-OG 3.4Å; S405-M407 VanDerWaalsContact C-N 3.3Å; S405-M407 PolarHBondContact O-N 2.93Å; S405-K410 PolarHBondContact O-NZ 3.25Å
406	H	85.9	Confident	89.6	Confident	147 Å²	147	68.7 Å²	68.7	68%	0.681	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-17.3	178.1	-51	-55.9	0	0	0	113.8	Q392 N404	Q392-H406 PolarHBondContact OE1-CE1 3.44Å; N404-H406 PolarHBondContact O-N 2.88Å; N404-H406 WeakPolarHBondContact OD1-CB 3.3Å; N404-H406 PolarHBondContact OD1-N 3.49Å; N404-H406 VanDerWaalsContact OD1-N 3.14Å
407	M	85.6	Confident	89.6	Confident	69 Å²	69	68.3 Å²	68.3	34%	0.34	34%	0.338	S	S	.	.			trans	-66.9	135	176.4	-66.6	-179.9	69.3	0	0	111.3	M403 N404 S405 V409 K410	M403-M407 HydrophobicContact CB-SD 4.3Å; M403-M407 HydrophobicContact CG-SD 3.93Å; N404-M407 WeakPolarHBondContact O-CB 3.35Å; N404-M407 PolarHBondContact O-N 2.84Å; N404-M407 PolarHBondContact OD1-N 2.95Å; S405-M407 VanDerWaalsContact C-N 3.3Å; S405-M407 PolarHBondContact O-N 2.93Å; M407-V409 VanDerWaalsContact C-N 3.25Å; M407-V409 PolarHBondContact O-N 2.95Å; M407-K410 WeakPolarHBondContact O-CE 3.21Å; M407-K410 PolarHBondContact O-NZ 3.09Å
408	Q	79.1	Confident	89.5	Confident	199 Å²	199	69.4 Å²	69.4	93%	0.93	34%	0.344	S	S	*	.	S	Bend	trans	-68.1	-26.7	175.2	-64.9	-176.2	2.4	0	0	112.6
409	V	80.1	Confident	89.3	Confident	82 Å²	82	72.3 Å²	72.3	50%	0.497	36%	0.359	S	S	.	.			trans	-81.6	137.7	175.6	-153.9	0	0	0	0	108.9	M407 S411	M407-V409 VanDerWaalsContact C-N 3.25Å; M407-V409 PolarHBondContact O-N 2.95Å; V409-S411 WeakPolarHBondContact CG1-O 3.44Å
410	K	87	Confident	89.1	Confident	57 Å²	57	67 Å²	67	25%	0.248	34%	0.342	C	S	.	.	S	Bend	trans	-115	18.7	-178	-62.5	-56.8	176.9	-154.8	0	113	I380 Y393 S405 M407 M524	I380-K410 PolarHBondContact N-O 2.94Å; I380-K410 WeakPolarHBondContact O-CB 3.46Å; Y393-K410 WeakPolarHBondContact OH-CD 3.39Å; Y393-K410 WeakPolarHBondContact OH-CE 3.29Å; Y393-K410 PolarHBondContact OH-NZ 3.39Å; S405-K410 PolarHBondContact O-NZ 3.25Å; M407-K410 WeakPolarHBondContact O-CE 3.21Å; M407-K410 PolarHBondContact O-NZ 3.09Å; K410-M524 HydrophobicContact CB-CE 4Å; K410-M524 HydrophobicContact CB-SD 4.02Å
411	S	92.3	Very high	88.8	Confident	9 Å²	9	62.6 Å²	62.6	6%	0.063	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	155.7	174.3	58.6	0	0	0	0	109.8	F378 S379 M403 V409 G523	F378-S411 CarbonylContact O-C 3.56Å; F378-S411 WeakPolarHBondContact O-CA 3.44Å; S379-S411 WeakPolarHBondContact OG-CB 3.35Å; M403-S411 VanDerWaalsContact CE-C 3.45Å; V409-S411 WeakPolarHBondContact CG1-O 3.44Å; S411-G523 WeakPolarHBondContact CB-O 3.43Å; S411-G523 PolarHBondContact OG-O 3.04Å
412	I	92.9	Very high	88.6	Confident	44 Å²	44	64.7 Å²	64.7	23%	0.226	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	145	176.3	-164.6	169.6	0	0	0	110.3	F378 V402 M403 I414	F378-I412 HydrophobicContact CB-CG2 4.43Å; F378-I412 PolarHBondContact N-O 3.13Å; F378-I412 PolarHBondContact O-N 3.28Å; V402-I412 HydrophobicContact CB-CD1 4.41Å; V402-I412 HydrophobicContact CG2-CG2 4.18Å; V402-I412 WeakPolarHBondContact O-CD1 3.46Å; M403-I412 HydrophobicContact CE-CB 3.85Å; M403-I412 HydrophobicContact CE-CG2 3.59Å; I412-I414 HydrophobicContact CG2-CG2 3.81Å
413	F	93.7	Very high	88.4	Confident	79 Å²	79	64.1 Å²	64.1	35%	0.346	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	130.1	170.3	-65.1	-65.5	0	0	0	109.7	Y337 D375 V376 L377 V443	Y337-F413 HydrophobicContact CE1-CE1 4.26Å; Y337-F413 AromaticContact CE1-CZ 3.83Å; Y337-F413 HydrophobicContact CE1-CZ 3.83Å; Y337-F413 AromaticContact CZ-CZ 3.76Å; Y337-F413 VanDerWaalsContact OH-CZ 3.3Å; Y337-F413 WeakPolarHBondContact OH-CZ 3.45Å; D375-F413 HydrophobicContact CB-CD1 3.62Å; D375-F413 HydrophobicContact CB-CE1 3.76Å; D375-F413 WeakPolarHBondContact OD1-CD1 3.46Å; D375-F413 WeakPolarHBondContact OD2-CD1 3.21Å; V376-F413 CarbonylContact O-C 3.56Å; V376-F413 WeakPolarHBondContact O-CA 3.49Å; L377-F413 HydrophobicContact CB-CD1 4.29Å; L377-F413 HydrophobicContact CB-CE1 4.37Å; L377-F413 HydrophobicContact CD1-CD1 3.66Å; L377-F413 HydrophobicContact CD1-CE1 3.68Å; L377-F413 HydrophobicContact CD1-CG 4.15Å; L377-F413 HydrophobicContact CD1-CZ 4.18Å; F413-V443 HydrophobicContact CE1-CG2 3.99Å
414	I	92.5	Very high	88.3	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.346	C	S	.	.			trans	-118.1	5.4	-175.2	68.3	161.1	0	0	0	113.9	V376 F378 I397 I412 D416 F417 L418 I425 C440	V376-I414 HydrophobicContact CB-CG1 4.1Å; V376-I414 HydrophobicContact CG1-CD1 4.19Å; V376-I414 HydrophobicContact CG1-CG1 3.82Å; V376-I414 PolarHBondContact O-N 3.3Å; F378-I414 HydrophobicContact CB-CD1 4.37Å; F378-I414 HydrophobicContact CB-CG2 3.84Å; I397-I414 HydrophobicContact CD1-CD1 3.97Å; I397-I414 HydrophobicContact CD1-CG2 4.42Å; I397-I414 HydrophobicContact CG1-CB 4.38Å; I397-I414 HydrophobicContact CG1-CD1 4.36Å; I397-I414 HydrophobicContact CG1-CG2 4.05Å; I397-I414 HydrophobicContact CG2-CD1 4.48Å; I412-I414 HydrophobicContact CG2-CG2 3.81Å; I414-D416 VanDerWaalsContact C-N 3.25Å; I414-D416 PolarHBondContact O-N 2.94Å; I414-D416 VanDerWaalsContact O-N 3.17Å; I414-F417 HydrophobicContact CB-CD2 4.47Å; I414-F417 WeakPolarHBondContact O-CA 3.42Å; I414-F417 WeakPolarHBondContact O-CB 3.45Å; I414-F417 PolarHBondContact O-N 2.96Å; I414-L418 HydrophobicContact CD1-CD1 4.4Å; I414-L418 HydrophobicContact CD1-CD2 3.96Å; I414-L418 HydrophobicContact CD1-CG 4.26Å; I414-L418 HydrophobicContact CG1-CD1 4.34Å; I414-L418 HydrophobicContact CG1-CG 4.37Å; I414-L418 PolarHBondContact O-N 2.86Å; I414-I425 HydrophobicContact CD1-CD1 4.33Å; I414-C440 VanDerWaalsContact CD1-SG 3.56Å
415	K	91.3	Very high	88.2	Confident	56 Å²	56	63.7 Å²	63.7	24%	0.243	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-50.6	-42.2	-177.2	-175.5	170.9	-175.3	168	0	113.1	L368 T374 D375 F417 L418	L368-K415 HydrophobicContact CD2-CD 4.06Å; L368-K415 HydrophobicContact CD2-CG 4.49Å; L368-K415 WeakPolarHBondContact O-CE 3.12Å; L368-K415 PolarHBondContact O-NZ 3.21Å; T374-K415 PolarHBondContact O-NZ 3.01Å; D375-K415 VanDerWaalsContact OD1-CB 3.24Å; D375-K415 WeakPolarHBondContact OD1-CB 3.19Å; K415-F417 PolarHBondContact O-N 3.07Å; K415-L418 PolarHBondContact O-N 3.45Å
416	D	91.1	Very high	88.3	Confident	148 Å²	148	65.7 Å²	65.7	79%	0.791	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-72.8	-9	178.6	-60.6	-22.7	0	0	0	114.8	I414	I414-D416 VanDerWaalsContact C-N 3.25Å; I414-D416 PolarHBondContact O-N 2.94Å; I414-D416 VanDerWaalsContact O-N 3.17Å
417	F	91.6	Very high	88.4	Confident	59 Å²	59	58.9 Å²	58.9	26%	0.259	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-101.1	-14.3	178.8	-60.8	-100.4	0	0	0	112.5	I397 N398 K400 V402 I414 K415	I397-F417 HydrophobicContact CB-CB 3.91Å; I397-F417 HydrophobicContact CG2-CB 3.68Å; N398-F417 PolarHBondContact ND2-O 2.88Å; K400-F417 HydrophobicContact CB-CD1 4.04Å; K400-F417 HydrophobicContact CB-CE1 4.26Å; K400-F417 HydrophobicContact CD-CD1 3.8Å; K400-F417 HydrophobicContact CD-CE1 4.25Å; V402-F417 HydrophobicContact CG1-CD1 3.55Å; V402-F417 HydrophobicContact CG1-CD2 4.38Å; V402-F417 HydrophobicContact CG1-CE1 3.5Å; V402-F417 HydrophobicContact CG1-CE2 4.33Å; V402-F417 HydrophobicContact CG1-CG 4.02Å; V402-F417 HydrophobicContact CG1-CZ 3.91Å; I414-F417 HydrophobicContact CB-CD2 4.47Å; I414-F417 WeakPolarHBondContact O-CA 3.42Å; I414-F417 WeakPolarHBondContact O-CB 3.45Å; I414-F417 PolarHBondContact O-N 2.96Å; K415-F417 PolarHBondContact O-N 3.07Å
418	L	89.4	Confident	88.5	Confident	23 Å²	23	58.7 Å²	58.7	12%	0.12	31%	0.311	C	S	.	.			trans	-82.2	149.2	-178	-65.7	173.4	0	0	0	112.3	L343 L360 V376 I397 I414 K415 N423	L343-L418 HydrophobicContact CD2-CD1 3.94Å; L343-L418 HydrophobicContact CD2-CD2 4.39Å; L360-L418 HydrophobicContact CD2-CB 4.23Å; L360-L418 HydrophobicContact CD2-CD1 4.5Å; V376-L418 HydrophobicContact CB-CD1 4.01Å; V376-L418 HydrophobicContact CG1-CD1 4.08Å; V376-L418 HydrophobicContact CG2-CD1 3.79Å; I397-L418 HydrophobicContact CG2-CD2 4.33Å; I414-L418 HydrophobicContact CD1-CD1 4.4Å; I414-L418 HydrophobicContact CD1-CD2 3.96Å; I414-L418 HydrophobicContact CD1-CG 4.26Å; I414-L418 HydrophobicContact CG1-CD1 4.34Å; I414-L418 HydrophobicContact CG1-CG 4.37Å; I414-L418 PolarHBondContact O-N 2.86Å; K415-L418 PolarHBondContact O-N 3.45Å; L418-N423 VanDerWaalsContact CA-OD1 3.27Å; L418-N423 WeakPolarHBondContact CA-OD1 3.43Å; L418-N423 HydrophobicContact CD2-CB 4.08Å; L418-N423 WeakPolarHBondContact CD2-OD1 3.47Å
419	I	88.3	Confident	88.9	Confident	98 Å²	98	49.7 Å²	49.7	50%	0.503	27%	0.269	S	S	.	.			trans	-118.1	156.8	170.2	61.8	173.1	0	0	0	110	L360 G421 N423	L360-I419 WeakPolarHBondContact CD2-O 3.34Å; I419-G421 PolarHBondContact O-N 2.77Å; I419-N423 PolarHBondContact N-OD1 3.44Å; I419-N423 PolarHBondContact O-ND2 2.81Å
420	S	85	Confident	89	Confident	75 Å²	75	51.3 Å²	51.3	52%	0.524	28%	0.275	S	S	.	.	S	Bend	trans	-66.9	129.8	171.2	-172.9	0	0	0	0	109.8
421	G	86.1	Confident	88.6	Confident	28 Å²	28	49.1 Å²	49.1	29%	0.289	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	98.2	-142.8	-174.7	0	0	0	0	0	113.4	L360 I419 N423	L360-G421 PolarHBondContact N-O 3.5Å; L360-G421 WeakPolarHBondContact O-CA 3.48Å; L360-G421 PolarHBondContact O-N 3.29Å; I419-G421 PolarHBondContact O-N 2.77Å; G421-N423 PolarHBondContact O-ND2 2.82Å
422	M	87.3	Confident	87.8	Confident	99 Å²	99	53.6 Å²	53.6	49%	0.488	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	129.2	-174.3	-159.8	115	93.6	0	0	111.7	E357 M359	E357-M422 HydrophobicContact CB-CG 4.4Å; E357-M422 HydrophobicContact CB-SD 4.28Å; E357-M422 WeakPolarHBondContact OE2-CE 3.12Å; M359-M422 HydrophobicContact CE-SD 4.48Å
423	N	89.6	Confident	87.1	Confident	1 Å²	1	58 Å²	58	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	142.8	174.2	-67.7	-99.2	0	0	0	109.4	E357 A358 L360 N398 L418 I419 G421	E357-N423 WeakPolarHBondContact CA-O 3.46Å; A358-N423 HydrophobicContact CB-CB 4.46Å; A358-N423 PolarHBondContact N-O 2.98Å; A358-N423 WeakPolarHBondContact O-CB 3.49Å; A358-N423 PolarHBondContact O-N 3.27Å; L360-N423 WeakPolarHBondContact CB-ND2 3.36Å; N398-N423 PolarHBondContact ND2-OD1 3.02Å; N398-N423 VanDerWaalsContact OD1-CA 3.3Å; N398-N423 WeakPolarHBondContact OD1-CA 3.49Å; L418-N423 VanDerWaalsContact CA-OD1 3.27Å; L418-N423 WeakPolarHBondContact CA-OD1 3.43Å; L418-N423 HydrophobicContact CD2-CB 4.08Å; L418-N423 WeakPolarHBondContact CD2-OD1 3.47Å; I419-N423 PolarHBondContact N-OD1 3.44Å; I419-N423 PolarHBondContact O-ND2 2.81Å; G421-N423 PolarHBondContact O-ND2 2.82Å
424	S	88.6	Confident	86.3	Confident	44 Å²	44	58.9 Å²	58.9	31%	0.308	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	121	175	-174.8	0	0	0	0	110.2	N398	N398-S424 PolarHBondContact N-O 3.41Å; N398-S424 PolarHBondContact OD1-N 3.37Å
425	I	89.3	Confident	85.8	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	93.3	176.6	-59.2	-167.7	0	0	0	107.6	L344 G355 V356 A358 F378 Y396 I397 I414 C440	L344-I425 HydrophobicContact CD1-CD1 3.93Å; G355-I425 WeakPolarHBondContact CA-O 3.39Å; V356-I425 PolarHBondContact N-O 2.89Å; V356-I425 PolarHBondContact O-N 3.4Å; A358-I425 HydrophobicContact CB-CD1 3.95Å; A358-I425 HydrophobicContact CB-CG1 4.21Å; F378-I425 HydrophobicContact CD2-CG2 4.25Å; F378-I425 HydrophobicContact CE2-CG2 3.82Å; Y396-I425 CarbonylContact O-C 3.47Å; I397-I425 HydrophobicContact CD1-CB 4.16Å; I397-I425 HydrophobicContact CD1-CD1 4.03Å; I397-I425 HydrophobicContact CD1-CG1 3.74Å; I397-I425 HydrophobicContact CD1-CG2 3.82Å; I414-I425 HydrophobicContact CD1-CD1 4.33Å; I425-C440 HydrophobicContact CD1-CB 4.46Å
426	H	87.9	Confident	85.6	Confident	63 Å²	63	59.4 Å²	59.4	29%	0.292	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	109	-172.3	-167.9	-77.2	0	0	0	111.4	N354 G355 Y396	N354-H426 PolarHBondContact O-CD2 2.83Å; N354-H426 VanDerWaalsContact O-CD2 3.26Å; G355-H426 PolarHBondContact N-CD2 3.44Å; Y396-H426 PolarHBondContact N-O 3.18Å; Y396-H426 PolarHBondContact O-N 2.91Å
427	I	88.3	Confident	85.6	Confident	4 Å²	4	54.8 Å²	54.8	2%	0.021	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	96.9	176.9	-50.2	176.1	0	0	0	108.4	V349 S353 F378 E394 V395 Y429 Y438	V349-I427 HydrophobicContact CG1-CB 4.46Å; V349-I427 HydrophobicContact CG1-CG2 3.67Å; V349-I427 HydrophobicContact CG2-CD1 4.14Å; V349-I427 HydrophobicContact CG2-CG2 4.35Å; S353-I427 PolarHBondContact OG-O 3.16Å; F378-I427 HydrophobicContact CE2-CD1 4.32Å; F378-I427 HydrophobicContact CZ-CD1 3.87Å; F378-I427 HydrophobicContact CZ-CG1 4.4Å; E394-I427 CarbonylContact O-C 3.59Å; V395-I427 HydrophobicContact CG1-CG1 4.43Å; V395-I427 HydrophobicContact CG2-CG1 4.44Å; V395-I427 HydrophobicContact CG2-CG2 4.37Å; I427-Y429 PolarHBondContact O-N 3.32Å; I427-Y438 HydrophobicContact CD1-CD1 3.6Å; I427-Y438 HydrophobicContact CD1-CD2 4.34Å; I427-Y438 HydrophobicContact CD1-CE1 4Å; I427-Y438 HydrophobicContact CD1-CG 3.8Å
428	V	87.3	Confident	85.5	Confident	64 Å²	64	52.9 Å²	52.9	39%	0.388	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	121.3	165.6	-177.2	0	0	0	0	106.7	Y393 E394 Y396	Y393-V428 CarbonylContact C-O 3.57Å; Y393-V428 WeakPolarHBondContact CA-O 3.47Å; Y393-V428 WeakPolarHBondContact CB-O 3.49Å; E394-V428 HydrophobicContact CB-CB 4.42Å; E394-V428 PolarHBondContact N-O 2.9Å; E394-V428 PolarHBondContact O-N 3.42Å; Y396-V428 HydrophobicContact CD2-CG2 4.13Å; Y396-V428 HydrophobicContact CE2-CG2 3.69Å
429	Y	86.6	Confident	85.6	Confident	10 Å²	10	51.8 Å²	51.8	4%	0.039	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	118.5	-179.2	172.6	-118	0	0	0	111	V349 P351 I391 Q392 I427 Q433 M435 Y436	V349-Y429 VanDerWaalsContact CG1-CB 3.45Å; V349-Y429 HydrophobicContact CG1-CD1 3.71Å; V349-Y429 HydrophobicContact CG1-CD2 4.1Å; V349-Y429 HydrophobicContact CG1-CE1 4.49Å; V349-Y429 HydrophobicContact CG1-CG 3.48Å; V349-Y429 VanDerWaalsContact CG1-CG 3.48Å; P351-Y429 HydrophobicContact CB-CD1 4.5Å; P351-Y429 HydrophobicContact CG-CD1 4.31Å; P351-Y429 HydrophobicContact CG-CE1 4.01Å; I391-Y429 HydrophobicContact CG2-CE2 3.53Å; Q392-Y429 WeakPolarHBondContact O-CD2 3.39Å; I427-Y429 PolarHBondContact O-N 3.32Å; Y429-Q433 WeakPolarHBondContact CE1-O 3.25Å; Y429-Q433 PolarHBondContact OH-O 3.37Å; Y429-M435 WeakPolarHBondContact OH-CB 3.24Å; Y429-M435 WeakPolarHBondContact OH-CG 3.26Å; Y429-Y436 AromaticContact CE2-CD2 3.83Å; Y429-Y436 HydrophobicContact CE2-CD2 3.83Å; Y429-Y436 HydrophobicContact CE2-CE2 4.2Å
430	N	82.6	Confident	85.8	Confident	117 Å²	117	47.1 Å²	47.1	63%	0.626	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	106	172.9	-175.8	18.9	0	0	0	108.4	I391 Q392	I391-N430 WeakPolarHBondContact CA-O 3.47Å; Q392-N430 PolarHBondContact N-O 3.14Å; Q392-N430 PolarHBondContact O-N 3.1Å
431	G	78.9	Confident	86.1	Confident	11 Å²	11	43.5 Å²	43.5	11%	0.113	23%	0.234	C	C	.	.	S	Bend	trans	-177.1	153.2	178.1	0	0	0	0	0	111	P351 Q433	P351-G431 WeakPolarHBondContact CB-O 3.17Å; P351-G431 WeakPolarHBondContact CG-O 3.35Å; G431-Q433 VanDerWaalsContact C-N 3.35Å; G431-Q433 PolarHBondContact O-N 3.18Å
432	P	74.6	Confident	86.4	Confident	102 Å²	102	42.2 Å²	42.2	66%	0.662	22%	0.22	S	C	*	.	S	Bend	trans	-75.3	-18.9	-167.5	28.8	-36	0	0	0	114.7
433	Q	78.5	Confident	86.7	Confident	136 Å²	136	37.5 Å²	37.5	64%	0.636	20%	0.197	S	C	*	.	S	Bend	trans	-148.1	172.2	-175.5	-65	-172.3	-4.4	0	0	110.8	Y429 G431 M435	Y429-Q433 WeakPolarHBondContact CE1-O 3.25Å; Y429-Q433 PolarHBondContact OH-O 3.37Å; G431-Q433 VanDerWaalsContact C-N 3.35Å; G431-Q433 PolarHBondContact O-N 3.18Å; Q433-M435 VanDerWaalsContact C-N 3.32Å; Q433-M435 HydrophobicContact CB-SD 4.14Å; Q433-M435 WeakPolarHBondContact O-CG 3.45Å; Q433-M435 PolarHBondContact O-N 3.21Å
434	Q	77.6	Confident	86.9	Confident	99 Å²	99	38.1 Å²	38.1	46%	0.463	20%	0.201	S	C	.	.			trans	-71.7	79	177	-62.8	-179.7	14.5	0	0	111.8	H348 V349 T350	H348-Q434 VanDerWaalsContact CB-OE1 3.28Å; V349-Q434 WeakPolarHBondContact O-CA 3.29Å; T350-Q434 HydrophobicContact CG2-CG 4.2Å
435	M	82.3	Confident	87.2	Confident	28 Å²	28	43.6 Å²	43.6	14%	0.138	22%	0.215	C	C	.	.			trans	-89.2	-10.3	-174	-57	-60.4	-81.5	0	0	113.9	P382 V383 T384 I391 Y429 Q433	P382-M435 CarbonylContact C-O 3.59Å; P382-M435 VanDerWaalsContact CA-O 3.3Å; P382-M435 WeakPolarHBondContact CA-O 3.35Å; V383-M435 PolarHBondContact N-O 2.96Å; T384-M435 WeakPolarHBondContact OG1-CE 3.34Å; I391-M435 HydrophobicContact CD1-CG 4.15Å; Y429-M435 WeakPolarHBondContact OH-CB 3.24Å; Y429-M435 WeakPolarHBondContact OH-CG 3.26Å; Q433-M435 VanDerWaalsContact C-N 3.32Å; Q433-M435 HydrophobicContact CB-SD 4.14Å; Q433-M435 WeakPolarHBondContact O-CG 3.45Å; Q433-M435 PolarHBondContact O-N 3.21Å
436	Y	87.7	Confident	87.5	Confident	38 Å²	38	46.1 Å²	46.1	15%	0.149	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	148.8	-177.6	-71.3	-89.2	0	0	0	112	V349 I380 W381 P382 I391 Y393 Y429	V349-Y436 PolarHBondContact N-O 2.95Å; I380-Y436 HydrophobicContact CG1-CD1 4.11Å; I380-Y436 HydrophobicContact CG1-CG 4.45Å; W381-Y436 VanDerWaalsContact C-CD1 3.5Å; W381-Y436 WeakPolarHBondContact O-CA 3.41Å; P382-Y436 HydrophobicContact CB-CD1 4.1Å; P382-Y436 HydrophobicContact CB-CE1 3.79Å; P382-Y436 HydrophobicContact CG-CE1 4.32Å; I391-Y436 HydrophobicContact CG2-CE2 3.84Å; Y393-Y436 HydrophobicContact CD1-CD1 4.44Å; Y393-Y436 HydrophobicContact CD1-CD2 4.21Å; Y393-Y436 HydrophobicContact CD1-CE1 4.28Å; Y393-Y436 HydrophobicContact CD1-CE2 4.01Å; Y393-Y436 HydrophobicContact CD1-CG 4.43Å; Y393-Y436 AromaticContact CE1-CD1 3.94Å; Y393-Y436 HydrophobicContact CE1-CD1 3.94Å; Y393-Y436 HydrophobicContact CE1-CD2 4.43Å; Y393-Y436 AromaticContact CE1-CE1 3.56Å; Y393-Y436 HydrophobicContact CE1-CE1 3.56Å; Y393-Y436 HydrophobicContact CE1-CE2 4.08Å; Y393-Y436 HydrophobicContact CE1-CG 4.37Å; Y393-Y436 AromaticContact CE1-CZ 3.64Å; Y429-Y436 AromaticContact CE2-CD2 3.83Å; Y429-Y436 HydrophobicContact CE2-CD2 3.83Å; Y429-Y436 HydrophobicContact CE2-CE2 4.2Å
437	K	89.9	Confident	87.9	Confident	51 Å²	51	44.9 Å²	44.9	22%	0.222	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	156	164.8	-89.9	177.9	160.7	-158.6	0	109.9	E346 G347 H348 I380 W381 V383	E346-K437 HydrophobicContact CG-CD 4.41Å; E346-K437 WeakPolarHBondContact OE1-CD 3.02Å; E346-K437 WeakPolarHBondContact OE1-CE 3.43Å; E346-K437 IonicContact OE1-NZ 3.21Å; E346-K437 PolarHBondContact OE1-NZ 3.06Å; G347-K437 CarbonylContact O-C 3.52Å; G347-K437 VanDerWaalsContact O-CA 3.23Å; G347-K437 WeakPolarHBondContact O-CA 3.28Å; H348-K437 WeakPolarHBondContact NE2-CE 3.37Å; I380-K437 CarbonylContact C-O 3.59Å; I380-K437 VanDerWaalsContact CA-O 3.32Å; I380-K437 WeakPolarHBondContact CA-O 3.3Å; I380-K437 WeakPolarHBondContact CG1-O 3.37Å; W381-K437 HydrophobicContact CD2-CB 4.28Å; W381-K437 HydrophobicContact CH2-CB 4.33Å; W381-K437 HydrophobicContact CZ2-CB 3.59Å; W381-K437 HydrophobicContact CZ2-CD 4.23Å; W381-K437 PolarHBondContact N-O 2.92Å; W381-K437 PolarHBondContact O-N 2.65Å; V383-K437 HydrophobicContact CG2-CB 4.18Å; V383-K437 HydrophobicContact CG2-CD 4.16Å; V383-K437 HydrophobicContact CG2-CG 3.72Å
438	Y	90.6	Very high	88.2	Confident	19 Å²	19	44.7 Å²	44.7	8%	0.075	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	160.8	173	69.2	-86.9	0	0	0	111.4	L344 E346 G347 V349 F378 S379 I427	L344-Y438 HydrophobicContact CD1-CE2 4.04Å; E346-Y438 WeakPolarHBondContact CA-O 3.16Å; G347-Y438 PolarHBondContact N-O 3.1Å; G347-Y438 WeakPolarHBondContact O-CD1 3.29Å; G347-Y438 PolarHBondContact O-N 2.83Å; V349-Y438 HydrophobicContact CG2-CD1 3.78Å; F378-Y438 AromaticContact CE2-CD2 3.93Å; F378-Y438 HydrophobicContact CE2-CD2 3.93Å; F378-Y438 HydrophobicContact CE2-CG 4.25Å; F378-Y438 HydrophobicContact CZ-CD2 4.42Å; F378-Y438 HydrophobicContact CZ-CG 4.27Å; S379-Y438 CarbonylContact O-C 3.45Å; S379-Y438 WeakPolarHBondContact O-CA 3.44Å; S379-Y438 WeakPolarHBondContact O-CB 3.43Å; I427-Y438 HydrophobicContact CD1-CD1 3.6Å; I427-Y438 HydrophobicContact CD1-CD2 4.34Å; I427-Y438 HydrophobicContact CD1-CE1 4Å; I427-Y438 HydrophobicContact CD1-CG 3.8Å
439	A	91.3	Very high	88.6	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	153.4	166.5	0	0	0	0	0	109.7	S379 W381 E441	S379-A439 PolarHBondContact N-O 3.39Å; S379-A439 PolarHBondContact O-N 3.15Å; W381-A439 HydrophobicContact CH2-CB 3.8Å; W381-A439 HydrophobicContact CZ3-CB 4.05Å; A439-E441 HydrophobicContact CB-CG 4.12Å
440	C	91.5	Very high	89	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	110.8	174	-166.5	0	0	0	0	108.4	L343 L344 F378 I414 I425	L343-C440 WeakPolarHBondContact CA-O 3.29Å; L343-C440 HydrophobicContact CB-CB 4.48Å; L343-C440 WeakPolarHBondContact CB-O 3.42Å; L343-C440 PolarHBondContact N-O 2.68Å; L344-C440 HydrophobicContact CB-CB 3.96Å; L344-C440 HydrophobicContact CD1-CB 4.49Å; L344-C440 HydrophobicContact CG-CB 4.33Å; L344-C440 PolarHBondContact N-O 3.16Å; F378-C440 HydrophobicContact CD2-CB 4.33Å; I414-C440 VanDerWaalsContact CD1-SG 3.56Å; I425-C440 HydrophobicContact CD1-CB 4.46Å
441	E	92	Very high	89.6	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.9	-162.1	-68.4	175.5	139.4	0	0	110.6	V339 E342 V376 L377 A439 V443 T525 R526 K537	V339-E441 HydrophobicContact CG1-CB 4.02Å; V339-E441 HydrophobicContact CG1-CG 4.16Å; V339-E441 HydrophobicContact CG2-CB 4.19Å; V339-E441 HydrophobicContact CG2-CG 4.39Å; E342-E441 HydrophobicContact CG-CG 4.48Å; V376-E441 WeakPolarHBondContact CA-O 2.62Å; L377-E441 PolarHBondContact N-O 3.03Å; L377-E441 PolarHBondContact O-N 2.94Å; A439-E441 HydrophobicContact CB-CG 4.12Å; E441-V443 HydrophobicContact CB-CG1 4.23Å; E441-T525 WeakPolarHBondContact OE2-CB 3.37Å; E441-T525 PolarHBondContact OE2-OG1 3.28Å; E441-R526 VanDerWaalsContact CD-NH1 3.25Å; E441-R526 IonicContact OE1-CZ 2.93Å; E441-R526 IonicContact OE1-NH1 3.32Å; E441-R526 PolarHBondContact OE1-NH1 3.28Å; E441-R526 IonicContact OE1-NH2 3.02Å; E441-R526 PolarHBondContact OE1-NH2 3.19Å; E441-R526 IonicContact OE2-CZ 2.76Å; E441-R526 IonicContact OE2-NH1 3.12Å; E441-R526 PolarHBondContact OE2-NH1 3.28Å; E441-R526 IonicContact OE2-NH2 2.7Å; E441-K537 IonicContact OE1-NZ 3.09Å
442	F	92.3	Very high	90.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	126.1	165.9	-63.1	-96	0	0	0	107.7	V339 D340 R341 L343 L360 A364 F367 L368 T374 D375 V376	V339-F442 CarbonylContact C-O 3.58Å; V339-F442 WeakPolarHBondContact CA-O 3.36Å; D340-F442 HydrophobicContact CB-CB 4.39Å; D340-F442 PolarHBondContact N-O 2.94Å; R341-F442 HydrophobicContact CB-CB 4.09Å; R341-F442 HydrophobicContact CB-CD2 3.61Å; R341-F442 HydrophobicContact CB-CE2 4.35Å; R341-F442 HydrophobicContact CB-CG 4.09Å; R341-F442 HydrophobicContact CG-CD2 3.75Å; R341-F442 HydrophobicContact CG-CE2 4.02Å; R341-F442 WeakPolarHBondContact O-CB 3.1Å; R341-F442 WeakPolarHBondContact O-CD2 3.44Å; R341-F442 PolarHBondContact O-N 3.43Å; L343-F442 HydrophobicContact CB-CD2 4.07Å; L343-F442 HydrophobicContact CB-CE2 3.52Å; L343-F442 HydrophobicContact CB-CZ 4.17Å; L343-F442 HydrophobicContact CD1-CE2 3.95Å; L343-F442 HydrophobicContact CD1-CZ 3.95Å; L343-F442 HydrophobicContact CD2-CZ 4.42Å; L343-F442 HydrophobicContact CG-CE2 4.2Å; L343-F442 HydrophobicContact CG-CZ 4.4Å; L360-F442 HydrophobicContact CD1-CE1 4.19Å; L360-F442 HydrophobicContact CD1-CZ 3.74Å; A364-F442 HydrophobicContact CB-CE1 4.39Å; A364-F442 HydrophobicContact CB-CZ 3.79Å; F367-F442 HydrophobicContact CD1-CD1 4.05Å; F367-F442 HydrophobicContact CD1-CE1 4.45Å; F367-F442 HydrophobicContact CE1-CB 4.38Å; F367-F442 HydrophobicContact CE1-CD1 4.25Å; F367-F442 HydrophobicContact CE1-CG 4.49Å; L368-F442 HydrophobicContact CD1-CD1 4.43Å; L368-F442 HydrophobicContact CD1-CE1 3.76Å; L368-F442 HydrophobicContact CD2-CD1 3.87Å; L368-F442 HydrophobicContact CD2-CE1 4.03Å; L368-F442 HydrophobicContact CG-CD1 4.06Å; L368-F442 HydrophobicContact CG-CE1 3.72Å; T374-F442 HydrophobicContact CG2-CB 4.05Å; D375-F442 CarbonylContact O-C 3.25Å; D375-F442 WeakPolarHBondContact O-CA 3.5Å; V376-F442 HydrophobicContact CG2-CD1 3.91Å; V376-F442 HydrophobicContact CG2-CE1 3.97Å
443	V	94	Very high	91.3	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	136.5	-173.6	-66.9	0	0	0	0	113.3	Y337 I338 V339 T374 D375 L377 F413 E441 T525	Y337-V443 HydrophobicContact CD1-CB 4.23Å; Y337-V443 HydrophobicContact CD1-CG2 4.21Å; Y337-V443 HydrophobicContact CG-CB 4.3Å; I338-V443 VanDerWaalsContact O-CA 3.27Å; I338-V443 WeakPolarHBondContact O-CA 3.49Å; V339-V443 HydrophobicContact CG2-CG1 4.35Å; T374-V443 WeakPolarHBondContact CA-O 3.5Å; D375-V443 HydrophobicContact CB-CG2 4.32Å; D375-V443 PolarHBondContact N-O 2.96Å; D375-V443 PolarHBondContact O-N 2.73Å; L377-V443 HydrophobicContact CB-CG1 4.17Å; L377-V443 HydrophobicContact CB-CG2 3.67Å; F413-V443 HydrophobicContact CE1-CG2 3.99Å; E441-V443 HydrophobicContact CB-CG1 4.23Å; V443-T525 HydrophobicContact CG1-CG2 3.5Å; V443-T525 VanDerWaalsContact CG1-CG2 3.5Å
444	T	94.2	Very high	91.9	Very high	14 Å²	14	36.4 Å²	36.4	9%	0.086	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	125.1	166.1	-67.4	0	0	0	0	109.2	I338 D340 Q373 T374 K446	I338-T444 PolarHBondContact N-O 3.42Å; I338-T444 PolarHBondContact O-N 2.97Å; I338-T444 VanDerWaalsContact O-N 3.07Å; D340-T444 PolarHBondContact OD1-OG1 3.03Å; D340-T444 WeakPolarHBondContact OD2-CB 3.43Å; D340-T444 PolarHBondContact OD2-N 3.33Å; D340-T444 PolarHBondContact OD2-OG1 3.49Å; Q373-T444 HydrophobicContact CG-CG2 4.45Å; T374-T444 PolarHBondContact OG1-OG1 2.98Å; T444-K446 HydrophobicContact CG2-CD 4.18Å; T444-K446 HydrophobicContact CG2-CG 4.32Å; T444-K446 PolarHBondContact O-N 2.65Å
445	R	94.1	Very high	92.7	Very high	158 Å²	158	32 Å²	32	60%	0.596	15%	0.145	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	124.5	176.2	-172.1	178.6	177.4	-83	3.3	110.2	A335 Y337	A335-R445 HydrophobicContact CB-CG 4.1Å; Y337-R445 HydrophobicContact CD1-CB 4.01Å; Y337-R445 HydrophobicContact CD1-CG 4.29Å; Y337-R445 HydrophobicContact CE1-CB 3.81Å; Y337-R445 HydrophobicContact CE1-CG 3.83Å
446	K	95.1	Very high	93	Very high	54 Å²	54	31.3 Å²	31.3	24%	0.235	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	135.8	-177.3	-70.6	-58.7	-167.9	-176.1	0	111.8	A335 G336 I338 T444 E450 L451	A335-K446 CarbonylContact C-O 3.59Å; A335-K446 WeakPolarHBondContact CA-O 3.12Å; A335-K446 VanDerWaalsContact CB-O 3.25Å; A335-K446 WeakPolarHBondContact CB-O 3.46Å; G336-K446 PolarHBondContact N-O 2.95Å; G336-K446 PolarHBondContact O-N 3.13Å; I338-K446 HydrophobicContact CG1-CG 3.93Å; T444-K446 HydrophobicContact CG2-CD 4.18Å; T444-K446 HydrophobicContact CG2-CG 4.32Å; T444-K446 PolarHBondContact O-N 2.65Å; K446-E450 HydrophobicContact CB-CB 4.24Å; K446-E450 HydrophobicContact CD-CB 4.17Å; K446-E450 HydrophobicContact CD-CG 4.45Å; K446-E450 WeakPolarHBondContact CD-OE1 3.49Å; K446-E450 WeakPolarHBondContact CE-OE1 3.22Å; K446-E450 IonicContact NZ-OE1 3.35Å; K446-E450 PolarHBondContact NZ-OE1 2.8Å; K446-L451 HydrophobicContact CB-CD2 3.75Å; K446-L451 HydrophobicContact CB-CG 3.93Å
447	S	95.9	Very high	92.9	Very high	37 Å²	37	35.2 Å²	35.2	26%	0.259	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	153.4	170.9	63.8	0	0	0	0	110.4	I449 E450 L451	S447-I449 PolarHBondContact O-N 2.88Å; S447-E450 WeakPolarHBondContact CB-OE2 3.41Å; S447-E450 PolarHBondContact N-OE2 3.37Å; S447-E450 PolarHBondContact O-N 3Å; S447-E450 VanDerWaalsContact O-N 3.1Å; S447-E450 VanDerWaalsContact OG-CG 3.29Å; S447-E450 WeakPolarHBondContact OG-CG 3.34Å; S447-E450 PolarHBondContact OG-N 2.74Å; S447-E450 VanDerWaalsContact OG-N 3.17Å; S447-E450 PolarHBondContact OG-OE2 2.85Å; S447-L451 WeakPolarHBondContact O-CG 3.47Å; S447-L451 PolarHBondContact O-N 2.81Å
448	V	96.1	Very high	92.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.1	-22.9	176.7	175.4	0	0	0	0	112.2	Y331 T334 L451 R452 L514 A515 I518	Y331-V448 HydrophobicContact CD1-CB 4.47Å; Y331-V448 HydrophobicContact CD1-CG1 3.73Å; Y331-V448 HydrophobicContact CE1-CG1 3.74Å; Y331-V448 HydrophobicContact CG-CG1 4.41Å; T334-V448 HydrophobicContact CG2-CG2 3.65Å; T334-V448 PolarHBondContact O-N 3.39Å; V448-L451 HydrophobicContact CG2-CD1 4.46Å; V448-L451 PolarHBondContact O-N 3.26Å; V448-R452 VanDerWaalsContact O-CB 3.29Å; V448-R452 WeakPolarHBondContact O-CB 3.32Å; V448-R452 PolarHBondContact O-N 3.37Å; V448-L514 HydrophobicContact CG1-CD2 4.27Å; V448-L514 HydrophobicContact CG1-CG 4.23Å; V448-A515 HydrophobicContact CB-CB 4.47Å; V448-A515 HydrophobicContact CG1-CB 3.77Å; V448-I518 HydrophobicContact CG2-CB 3.96Å; V448-I518 HydrophobicContact CG2-CG1 4.18Å; V448-I518 HydrophobicContact CG2-CG2 3.89Å
449	I	95.3	Very high	91.6	Very high	55 Å²	55	42.8 Å²	42.8	28%	0.282	19%	0.191	S	C	.	.	H	α-helix	trans	-67.4	-44.1	172.1	-63	172.4	0	0	0	111	Y331 S447 R452 K453	Y331-I449 HydrophobicContact CD1-CG1 4.43Å; S447-I449 PolarHBondContact O-N 2.88Å; I449-R452 PolarHBondContact O-N 2.95Å; I449-K453 WeakPolarHBondContact O-CG 3.42Å; I449-K453 PolarHBondContact O-N 3.43Å
450	E	95.4	Very high	90.7	Very high	67 Å²	67	46.6 Å²	46.6	31%	0.313	21%	0.214	S	C	.	.	H	α-helix	trans	-65.2	-42.7	172.3	-70.4	163.9	101.5	0	0	112	K446 S447 R452 K453 I454	K446-E450 HydrophobicContact CB-CB 4.24Å; K446-E450 HydrophobicContact CD-CB 4.17Å; K446-E450 HydrophobicContact CD-CG 4.45Å; K446-E450 WeakPolarHBondContact CD-OE1 3.49Å; K446-E450 WeakPolarHBondContact CE-OE1 3.22Å; K446-E450 IonicContact NZ-OE1 3.35Å; K446-E450 PolarHBondContact NZ-OE1 2.8Å; S447-E450 WeakPolarHBondContact CB-OE2 3.41Å; S447-E450 PolarHBondContact N-OE2 3.37Å; S447-E450 PolarHBondContact O-N 3Å; S447-E450 VanDerWaalsContact O-N 3.1Å; S447-E450 VanDerWaalsContact OG-CG 3.29Å; S447-E450 WeakPolarHBondContact OG-CG 3.34Å; S447-E450 PolarHBondContact OG-N 2.74Å; S447-E450 VanDerWaalsContact OG-N 3.17Å; S447-E450 PolarHBondContact OG-OE2 2.85Å; E450-R452 VanDerWaalsContact C-N 3.3Å; E450-R452 PolarHBondContact O-N 3.31Å; E450-K453 WeakPolarHBondContact O-CB 3.31Å; E450-K453 PolarHBondContact O-N 2.86Å; E450-K453 VanDerWaalsContact O-N 3.15Å; E450-I454 WeakPolarHBondContact O-CG1 3.48Å; E450-I454 PolarHBondContact O-N 3.05Å
451	L	95.4	Very high	89.8	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61	-39.5	175.4	-66	176.5	0	0	0	111.5	I338 K446 S447 V448 I454 L455 I518 F538	I338-L451 HydrophobicContact CD1-CD2 3.47Å; I338-L451 VanDerWaalsContact CD1-CD2 3.47Å; I338-L451 HydrophobicContact CG1-CD2 3.8Å; K446-L451 HydrophobicContact CB-CD2 3.75Å; K446-L451 HydrophobicContact CB-CG 3.93Å; S447-L451 WeakPolarHBondContact O-CG 3.47Å; S447-L451 PolarHBondContact O-N 2.81Å; V448-L451 HydrophobicContact CG2-CD1 4.46Å; V448-L451 PolarHBondContact O-N 3.26Å; L451-I454 PolarHBondContact O-N 3.46Å; L451-L455 VanDerWaalsContact O-CB 3.28Å; L451-L455 WeakPolarHBondContact O-CB 3.41Å; L451-L455 PolarHBondContact O-N 2.86Å; L451-I518 HydrophobicContact CD1-CD1 4.29Å; L451-I518 HydrophobicContact CD1-CG1 4.3Å; L451-I518 HydrophobicContact CD1-CG2 4.36Å; L451-F538 HydrophobicContact CB-CE2 3.88Å; L451-F538 HydrophobicContact CB-CZ 3.86Å; L451-F538 HydrophobicContact CD1-CE2 4.37Å; L451-F538 HydrophobicContact CD2-CD2 4.31Å; L451-F538 HydrophobicContact CD2-CE1 4.19Å; L451-F538 HydrophobicContact CD2-CE2 3.92Å; L451-F538 HydrophobicContact CD2-CZ 3.86Å; L451-F538 HydrophobicContact CG-CE2 4.27Å; L451-F538 HydrophobicContact CG-CZ 4.41Å; L451-F538 WeakPolarHBondContact O-CZ 3.29Å
452	R	94.6	Very high	89.4	Confident	33 Å²	33	57.8 Å²	57.8	13%	0.125	27%	0.27	C	S	.	.	H	α-helix	trans	-60.4	-46.1	172.8	-178.2	-169	163.3	-75.1	-4	111.1	V448 I449 E450 L455 I456 T501 L514 E718	V448-R452 VanDerWaalsContact O-CB 3.29Å; V448-R452 WeakPolarHBondContact O-CB 3.32Å; V448-R452 PolarHBondContact O-N 3.37Å; I449-R452 PolarHBondContact O-N 2.95Å; E450-R452 VanDerWaalsContact C-N 3.3Å; E450-R452 PolarHBondContact O-N 3.31Å; R452-L455 PolarHBondContact O-N 3.49Å; R452-I456 HydrophobicContact CG-CD1 3.86Å; R452-I456 VanDerWaalsContact CZ-CD1 3.43Å; R452-I456 WeakPolarHBondContact O-CG1 3.28Å; R452-I456 PolarHBondContact O-N 3.48Å; R452-T501 VanDerWaalsContact CD-OG1 3.28Å; R452-T501 WeakPolarHBondContact CD-OG1 3.38Å; R452-T501 HydrophobicContact CG-CG2 4.19Å; R452-L514 HydrophobicContact CB-CD2 3.98Å; R452-E718 IonicContact CZ-OE1 2.72Å; R452-E718 IonicContact NH1-OE1 2.65Å; R452-E718 PolarHBondContact NH1-OE1 3.16Å; R452-E718 IonicContact NH2-OE1 3.72Å; R452-E718 PolarHBondContact NH2-OE1 2.84Å; R452-E718 VanDerWaalsContact NH2-OE1 3.16Å
453	K	92.9	Very high	88.9	Confident	63 Å²	63	58.2 Å²	58.2	27%	0.274	27%	0.274	S	S	.	.	H	α-helix	trans	-57.9	-51.2	175.9	-72.2	176.1	179.2	-179.7	0	110.7	I449 E450 L455 I456 Q457	I449-K453 WeakPolarHBondContact O-CG 3.42Å; I449-K453 PolarHBondContact O-N 3.43Å; E450-K453 WeakPolarHBondContact O-CB 3.31Å; E450-K453 PolarHBondContact O-N 2.86Å; E450-K453 VanDerWaalsContact O-N 3.15Å; K453-L455 PolarHBondContact O-N 2.92Å; K453-I456 PolarHBondContact O-N 2.98Å; K453-Q457 WeakPolarHBondContact O-CB 3.3Å; K453-Q457 WeakPolarHBondContact O-CG 3.35Å; K453-Q457 PolarHBondContact O-N 3.24Å
454	I	92.9	Very high	88.5	Confident	47 Å²	47	63 Å²	63	24%	0.241	30%	0.296	C	S	.	.	H	α-helix	trans	-59.1	-44.7	178.4	-64.3	164.7	0	0	0	111.5	I338 E450 L451 I456 K458 F538	I338-I454 HydrophobicContact CD1-CD1 3.97Å; I338-I454 HydrophobicContact CD1-CG2 4.46Å; I338-I454 HydrophobicContact CG1-CD1 3.93Å; E450-I454 WeakPolarHBondContact O-CG1 3.48Å; E450-I454 PolarHBondContact O-N 3.05Å; L451-I454 PolarHBondContact O-N 3.46Å; I454-I456 VanDerWaalsContact C-N 3.33Å; I454-I456 PolarHBondContact O-N 3.29Å; I454-K458 HydrophobicContact CG2-CD 4.22Å; I454-K458 HydrophobicContact CG2-CG 4.47Å; I454-K458 WeakPolarHBondContact O-CB 3.42Å; I454-K458 VanDerWaalsContact O-CG 3.24Å; I454-K458 WeakPolarHBondContact O-CG 3.26Å; I454-K458 PolarHBondContact O-N 3.21Å; I454-F538 HydrophobicContact CB-CE1 4.48Å; I454-F538 HydrophobicContact CG2-CE1 4.01Å
455	L	92.5	Very high	88.3	Confident	7 Å²	7	69.2 Å²	69.2	4%	0.037	32%	0.324	C	S	.	.	H	α-helix	trans	-60.4	-40.3	179.1	176.6	63.7	0	0	0	112.6	L451 R452 K453 T501 A503 L514 F538 I541 A543	L451-L455 VanDerWaalsContact O-CB 3.28Å; L451-L455 WeakPolarHBondContact O-CB 3.41Å; L451-L455 PolarHBondContact O-N 2.86Å; R452-L455 PolarHBondContact O-N 3.49Å; K453-L455 PolarHBondContact O-N 2.92Å; L455-T501 HydrophobicContact CD2-CG2 4.48Å; L455-A503 HydrophobicContact CD2-CB 4.35Å; L455-L514 HydrophobicContact CD2-CD1 4.1Å; L455-L514 HydrophobicContact CD2-CD2 3.89Å; L455-F538 HydrophobicContact CB-CZ 4.27Å; L455-I541 HydrophobicContact CD1-CB 4.2Å; L455-I541 HydrophobicContact CD1-CG2 3.95Å; L455-I541 WeakPolarHBondContact CD1-O 3.26Å; L455-I541 HydrophobicContact CD2-CG2 4.06Å; L455-A543 HydrophobicContact CD2-CB 4.33Å; L455-A543 HydrophobicContact CG-CB 4.4Å
456	I	90.1	Very high	88.1	Confident	14 Å²	14	63.4 Å²	63.4	7%	0.072	31%	0.305	C	S	.	.	H	α-helix	trans	-79	-51.7	-179.5	-68.7	173.3	0	0	0	110.3	R452 K453 I454 K458 R459 V460 Y545 L548	R452-I456 HydrophobicContact CG-CD1 3.86Å; R452-I456 VanDerWaalsContact CZ-CD1 3.43Å; R452-I456 WeakPolarHBondContact O-CG1 3.28Å; R452-I456 PolarHBondContact O-N 3.48Å; K453-I456 PolarHBondContact O-N 2.98Å; I454-I456 VanDerWaalsContact C-N 3.33Å; I454-I456 PolarHBondContact O-N 3.29Å; I456-K458 VanDerWaalsContact C-N 3.25Å; I456-K458 PolarHBondContact O-N 3.49Å; I456-R459 CarbonylContact O-C 3.58Å; I456-R459 PolarHBondContact O-N 2.97Å; I456-V460 HydrophobicContact CG2-CG2 3.82Å; I456-V460 PolarHBondContact O-N 3.43Å; I456-Y545 WeakPolarHBondContact CA-OH 3.46Å; I456-Y545 HydrophobicContact CG2-CE1 4.44Å; I456-Y545 PolarHBondContact O-OH 2.89Å; I456-L548 HydrophobicContact CD1-CD2 4.32Å
457	Q	85.1	Confident	88	Confident	119 Å²	119	61.1 Å²	61.1	56%	0.556	30%	0.296	S	S	*	.	H	α-helix	trans	-56.8	-35.2	-178.6	-71.6	172.2	-14.5	0	0	112.9	K453 R459	K453-Q457 WeakPolarHBondContact O-CB 3.3Å; K453-Q457 WeakPolarHBondContact O-CG 3.35Å; K453-Q457 PolarHBondContact O-N 3.24Å; Q457-R459 PolarHBondContact O-N 2.95Å
458	K	76.6	Confident	87.9	Confident	103 Å²	103	62.6 Å²	62.6	45%	0.448	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-19.6	171.6	-85.2	177.9	178.4	-176.7	0	114.1	I454 I456 E539	I454-K458 HydrophobicContact CG2-CD 4.22Å; I454-K458 HydrophobicContact CG2-CG 4.47Å; I454-K458 WeakPolarHBondContact O-CB 3.42Å; I454-K458 VanDerWaalsContact O-CG 3.24Å; I454-K458 WeakPolarHBondContact O-CG 3.26Å; I454-K458 PolarHBondContact O-N 3.21Å; I456-K458 VanDerWaalsContact C-N 3.25Å; I456-K458 PolarHBondContact O-N 3.49Å; K458-E539 IonicContact NZ-OE1 3.87Å; K458-E539 PolarHBondContact NZ-OE1 2.95Å
459	R	77.3	Confident	87.8	Confident	127 Å²	127	67.4 Å²	67.4	48%	0.479	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.5	19.9	-176.6	-62.6	-67.2	174.8	-169.1	-4	114.9	I456 Q457 I461 E462 G463 L466 Y545	I456-R459 CarbonylContact O-C 3.58Å; I456-R459 PolarHBondContact O-N 2.97Å; Q457-R459 PolarHBondContact O-N 2.95Å; R459-I461 PolarHBondContact O-N 2.84Å; R459-E462 HydrophobicContact CB-CB 4.49Å; R459-E462 WeakPolarHBondContact CD-OE1 3.49Å; R459-E462 VanDerWaalsContact CD-OE2 3.28Å; R459-E462 WeakPolarHBondContact CD-OE2 3.41Å; R459-E462 IonicContact CZ-OE1 3.57Å; R459-E462 IonicContact CZ-OE2 2.77Å; R459-E462 IonicContact NE-OE1 3.19Å; R459-E462 IonicContact NE-OE2 2.8Å; R459-E462 VanDerWaalsContact NH1-CD 3.34Å; R459-E462 IonicContact NH1-OE1 3.66Å; R459-E462 PolarHBondContact NH1-OE1 3.43Å; R459-E462 IonicContact NH1-OE2 2.69Å; R459-E462 PolarHBondContact NH1-OE2 2.96Å; R459-E462 CarbonylContact O-C 3.53Å; R459-E462 PolarHBondContact O-N 3.41Å; R459-G463 PolarHBondContact O-N 3.29Å; R459-L466 HydrophobicContact CB-CD1 3.86Å; R459-L466 HydrophobicContact CG-CD1 4.17Å; R459-Y545 HydrophobicContact CB-CE2 4.34Å
460	V	70.6	Confident	87.8	Confident	79 Å²	79	65.3 Å²	65.3	48%	0.479	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-48.9	-177.9	159.8	0	0	0	0	112.5	I456 E462 G463	I456-V460 HydrophobicContact CG2-CG2 3.82Å; I456-V460 PolarHBondContact O-N 3.43Å; V460-E462 PolarHBondContact O-N 2.65Å; V460-G463 PolarHBondContact O-N 2.91Å
461	I	73.2	Confident	87.8	Confident	166 Å²	166	65.4 Å²	65.4	85%	0.851	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-33.2	-179.5	-56.1	172.7	0	0	0	111.5	R459	R459-I461 PolarHBondContact O-N 2.84Å
462	E	83.2	Confident	87.8	Confident	70 Å²	70	70.3 Å²	70.3	33%	0.327	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-12	177.6	-67.6	168.5	-127	0	0	113	R459 V460 Q464 Q465 L466	R459-E462 HydrophobicContact CB-CB 4.49Å; R459-E462 WeakPolarHBondContact CD-OE1 3.49Å; R459-E462 VanDerWaalsContact CD-OE2 3.28Å; R459-E462 WeakPolarHBondContact CD-OE2 3.41Å; R459-E462 IonicContact CZ-OE1 3.57Å; R459-E462 IonicContact CZ-OE2 2.77Å; R459-E462 IonicContact NE-OE1 3.19Å; R459-E462 IonicContact NE-OE2 2.8Å; R459-E462 VanDerWaalsContact NH1-CD 3.34Å; R459-E462 IonicContact NH1-OE1 3.66Å; R459-E462 PolarHBondContact NH1-OE1 3.43Å; R459-E462 IonicContact NH1-OE2 2.69Å; R459-E462 PolarHBondContact NH1-OE2 2.96Å; R459-E462 CarbonylContact O-C 3.53Å; R459-E462 PolarHBondContact O-N 3.41Å; V460-E462 PolarHBondContact O-N 2.65Å; E462-Q464 VanDerWaalsContact C-N 3.33Å; E462-Q464 PolarHBondContact O-N 3.16Å; E462-Q464 VanDerWaalsContact O-N 3.17Å; E462-Q465 CarbonylContact O-C 3.59Å; E462-Q465 WeakPolarHBondContact O-CA 3.48Å; E462-Q465 WeakPolarHBondContact O-CB 3.19Å; E462-Q465 PolarHBondContact O-N 3.29Å; E462-L466 HydrophobicContact CB-CD1 3.81Å; E462-L466 HydrophobicContact CB-CG 4.06Å; E462-L466 WeakPolarHBondContact O-CG 3.45Å; E462-L466 PolarHBondContact O-N 3.29Å
463	G	81.6	Confident	87.8	Confident	8 Å²	8	72.1 Å²	72.1	8%	0.082	35%	0.347	C	S	.	.	H	α-helix	trans	-56.2	-41.4	-163.7	0	0	0	0	0	114.2	R459 V460 L466 A467	R459-G463 PolarHBondContact O-N 3.29Å; V460-G463 PolarHBondContact O-N 2.91Å; G463-L466 PolarHBondContact O-N 2.81Å; G463-A467 WeakPolarHBondContact O-CB 3.28Å; G463-A467 PolarHBondContact O-N 3.07Å
464	Q	85.8	Confident	88	Confident	102 Å²	102	69.8 Å²	69.8	48%	0.477	34%	0.337	S	S	.	.	H	α-helix	trans	-72.8	-31.8	177.2	-172.6	68.4	-17.9	0	0	112.7	E462 T468	E462-Q464 VanDerWaalsContact C-N 3.33Å; E462-Q464 PolarHBondContact O-N 3.16Å; E462-Q464 VanDerWaalsContact O-N 3.17Å; Q464-T468 WeakPolarHBondContact O-CB 3.45Å; Q464-T468 PolarHBondContact O-N 3.38Å; Q464-T468 VanDerWaalsContact O-N 3.08Å; Q464-T468 PolarHBondContact O-OG1 3.23Å
465	Q	90.1	Very high	88.1	Confident	144 Å²	144	69.7 Å²	69.7	67%	0.673	34%	0.336	S	S	*	.	H	α-helix	trans	-71	-42.3	173.7	-55.1	-174.7	10.9	0	0	110.5	E462 T468 Q469	E462-Q465 CarbonylContact O-C 3.59Å; E462-Q465 WeakPolarHBondContact O-CA 3.48Å; E462-Q465 WeakPolarHBondContact O-CB 3.19Å; E462-Q465 PolarHBondContact O-N 3.29Å; Q465-T468 WeakPolarHBondContact O-CB 3.37Å; Q465-T468 PolarHBondContact O-N 3.36Å; Q465-Q469 WeakPolarHBondContact O-CB 3.35Å; Q465-Q469 PolarHBondContact O-N 2.87Å
466	L	91.1	Very high	88.3	Confident	36 Å²	36	74.7 Å²	74.7	19%	0.188	36%	0.359	C	S	.	.	H	α-helix	trans	-63.7	-42.9	174.2	-68.3	170.9	0	0	0	111.7	R459 E462 G463 T468 Q469 Q470 Y545	R459-L466 HydrophobicContact CB-CD1 3.86Å; R459-L466 HydrophobicContact CG-CD1 4.17Å; E462-L466 HydrophobicContact CB-CD1 3.81Å; E462-L466 HydrophobicContact CB-CG 4.06Å; E462-L466 WeakPolarHBondContact O-CG 3.45Å; E462-L466 PolarHBondContact O-N 3.29Å; G463-L466 PolarHBondContact O-N 2.81Å; L466-T468 VanDerWaalsContact C-N 3.29Å; L466-T468 PolarHBondContact O-N 3.14Å; L466-Q469 PolarHBondContact O-N 2.76Å; L466-Q470 VanDerWaalsContact O-CB 3.29Å; L466-Q470 WeakPolarHBondContact O-CB 3.49Å; L466-Q470 WeakPolarHBondContact O-CG 3.4Å; L466-Q470 PolarHBondContact O-N 3.4Å; L466-Y545 HydrophobicContact CB-CD2 3.87Å; L466-Y545 HydrophobicContact CD1-CD2 4.02Å; L466-Y545 HydrophobicContact CD1-CE2 3.8Å
467	A	92.3	Very high	88.5	Confident	6 Å²	6	77.5 Å²	77.5	5%	0.05	37%	0.373	C	S	.	.	H	α-helix	trans	-58.9	-40.9	172.7	0	0	0	0	0	111.7	G463 Q470 K471	G463-A467 WeakPolarHBondContact O-CB 3.28Å; G463-A467 PolarHBondContact O-N 3.07Å; A467-Q470 PolarHBondContact O-N 3.49Å; A467-K471 WeakPolarHBondContact O-CB 3.4Å; A467-K471 PolarHBondContact O-N 3.27Å
468	T	93.8	Very high	89	Confident	68 Å²	68	71.9 Å²	71.9	42%	0.417	35%	0.346	S	S	.	.	H	α-helix	trans	-66.9	-43.3	176.6	-57.7	0	0	0	0	111.7	Q464 Q465 L466 K471 Q472	Q464-T468 WeakPolarHBondContact O-CB 3.45Å; Q464-T468 PolarHBondContact O-N 3.38Å; Q464-T468 VanDerWaalsContact O-N 3.08Å; Q464-T468 PolarHBondContact O-OG1 3.23Å; Q465-T468 WeakPolarHBondContact O-CB 3.37Å; Q465-T468 PolarHBondContact O-N 3.36Å; L466-T468 VanDerWaalsContact C-N 3.29Å; L466-T468 PolarHBondContact O-N 3.14Å; T468-K471 WeakPolarHBondContact O-CB 3.41Å; T468-K471 PolarHBondContact O-N 3.08Å; T468-Q472 WeakPolarHBondContact O-CG 3.48Å; T468-Q472 PolarHBondContact O-N 3.25Å
469	Q	94.3	Very high	89.9	Confident	101 Å²	101	71.8 Å²	71.8	47%	0.472	35%	0.351	S	S	.	.	H	α-helix	trans	-64.4	-42.1	175.7	-168.8	-165.4	75.5	0	0	111.8	Q465 L466 Q472 Q473	Q465-Q469 WeakPolarHBondContact O-CB 3.35Å; Q465-Q469 PolarHBondContact O-N 2.87Å; L466-Q469 PolarHBondContact O-N 2.76Å; Q469-Q472 WeakPolarHBondContact O-CB 3.26Å; Q469-Q472 PolarHBondContact O-N 3.3Å; Q469-Q473 WeakPolarHBondContact O-CG 3.46Å; Q469-Q473 PolarHBondContact O-N 2.89Å
470	Q	94.4	Very high	90.7	Very high	11 Å²	11	74 Å²	74	5%	0.051	36%	0.364	C	S	.	.	H	α-helix	trans	-65.7	-41.4	176.7	-71.7	165.6	-5.1	0	0	111	L466 A467 Q472 Q473 Y474 A543 D544 F546	L466-Q470 VanDerWaalsContact O-CB 3.29Å; L466-Q470 WeakPolarHBondContact O-CB 3.49Å; L466-Q470 WeakPolarHBondContact O-CG 3.4Å; L466-Q470 PolarHBondContact O-N 3.4Å; A467-Q470 PolarHBondContact O-N 3.49Å; Q470-Q472 VanDerWaalsContact C-N 3.32Å; Q470-Q472 PolarHBondContact O-N 3.41Å; Q470-Q473 WeakPolarHBondContact O-CB 3.33Å; Q470-Q473 PolarHBondContact O-N 3.1Å; Q470-Q473 VanDerWaalsContact O-N 3.13Å; Q470-Y474 WeakPolarHBondContact O-CD2 3.46Å; Q470-Y474 PolarHBondContact O-N 3.2Å; Q470-A543 PolarHBondContact NE2-O 2.83Å; Q470-D544 VanDerWaalsContact OE1-C 3.28Å; Q470-F546 HydrophobicContact CB-CB 3.73Å
471	K	95.2	Very high	91.9	Very high	70 Å²	70	75.5 Å²	75.5	30%	0.304	36%	0.361	S	S	.	.	H	α-helix	trans	-54.6	-47.1	169.5	-173.6	178.3	177.1	-180	0	111.6	A467 T468 Q473 Y474 M475 F546 G567	A467-K471 WeakPolarHBondContact O-CB 3.4Å; A467-K471 PolarHBondContact O-N 3.27Å; T468-K471 WeakPolarHBondContact O-CB 3.41Å; T468-K471 PolarHBondContact O-N 3.08Å; K471-Q473 VanDerWaalsContact C-N 3.35Å; K471-Q473 PolarHBondContact O-N 3.27Å; K471-Y474 PolarHBondContact O-N 3.06Å; K471-M475 HydrophobicContact CG-SD 4.14Å; K471-M475 WeakPolarHBondContact O-CG 3.49Å; K471-M475 PolarHBondContact O-N 3.45Å; K471-F546 HydrophobicContact CB-CD2 3.57Å; K471-F546 HydrophobicContact CB-CE2 3.72Å; K471-F546 HydrophobicContact CB-CG 4.37Å; K471-F546 HydrophobicContact CD-CE2 4.03Å; K471-F546 HydrophobicContact CG-CD2 4.04Å; K471-F546 HydrophobicContact CG-CE2 3.63Å; K471-F546 HydrophobicContact CG-CZ 4.39Å; K471-G567 WeakPolarHBondContact CE-O 3.44Å; K471-G567 PolarHBondContact NZ-O 2.8Å
472	Q	96.1	Very high	92.8	Very high	102 Å²	102	77.7 Å²	77.7	48%	0.477	37%	0.368	S	S	.	.	H	α-helix	trans	-62.3	-38.7	176.9	-70.1	173.9	8.2	0	0	112.3	T468 Q469 Q470 Y474 M475 Q476	T468-Q472 WeakPolarHBondContact O-CG 3.48Å; T468-Q472 PolarHBondContact O-N 3.25Å; Q469-Q472 WeakPolarHBondContact O-CB 3.26Å; Q469-Q472 PolarHBondContact O-N 3.3Å; Q470-Q472 VanDerWaalsContact C-N 3.32Å; Q470-Q472 PolarHBondContact O-N 3.41Å; Q472-Y474 VanDerWaalsContact C-N 3.34Å; Q472-Y474 PolarHBondContact O-N 3.45Å; Q472-M475 PolarHBondContact O-N 3.46Å; Q472-Q476 WeakPolarHBondContact O-CG 3.08Å; Q472-Q476 PolarHBondContact O-N 2.77Å
473	Q	95.3	Very high	93.2	Very high	72 Å²	72	77.7 Å²	77.7	34%	0.336	38%	0.379	S	S	.	.	H	α-helix	trans	-59.3	-43.9	173.5	-68.5	172.3	16.9	0	0	111.3	Q469 Q470 K471 Q476 M477	Q469-Q473 WeakPolarHBondContact O-CG 3.46Å; Q469-Q473 PolarHBondContact O-N 2.89Å; Q470-Q473 WeakPolarHBondContact O-CB 3.33Å; Q470-Q473 PolarHBondContact O-N 3.1Å; Q470-Q473 VanDerWaalsContact O-N 3.13Å; K471-Q473 VanDerWaalsContact C-N 3.35Å; K471-Q473 PolarHBondContact O-N 3.27Å; Q473-Q476 WeakPolarHBondContact O-CB 3.35Å; Q473-Q476 PolarHBondContact O-N 3.48Å; Q473-M477 WeakPolarHBondContact O-CG 3.07Å; Q473-M477 PolarHBondContact O-N 2.93Å; Q473-M477 VanDerWaalsContact O-N 3.1Å
474	Y	95.9	Very high	93.7	Very high	14 Å²	14	77.8 Å²	77.8	6%	0.055	38%	0.381	C	S	.	.	H	α-helix	trans	-66.5	-39.9	175.3	-66.1	-59.5	0	0	0	113	Q470 K471 Q472 Q476 M477 A478 Y486 V488 I511 D544 F546	Q470-Y474 WeakPolarHBondContact O-CD2 3.46Å; Q470-Y474 PolarHBondContact O-N 3.2Å; K471-Y474 PolarHBondContact O-N 3.06Å; Q472-Y474 VanDerWaalsContact C-N 3.34Å; Q472-Y474 PolarHBondContact O-N 3.45Å; Y474-Q476 VanDerWaalsContact C-N 3.3Å; Y474-Q476 PolarHBondContact O-N 3.39Å; Y474-M477 CarbonylContact O-C 3.51Å; Y474-M477 PolarHBondContact O-N 3.23Å; Y474-M477 VanDerWaalsContact O-N 3.07Å; Y474-A478 PolarHBondContact O-N 2.92Å; Y474-Y486 HydrophobicContact CD1-CD1 4.29Å; Y474-Y486 HydrophobicContact CD1-CE1 4.23Å; Y474-V488 HydrophobicContact CD1-CB 4.46Å; Y474-V488 HydrophobicContact CD1-CG1 4.19Å; Y474-V488 HydrophobicContact CD1-CG2 3.38Å; Y474-V488 HydrophobicContact CD2-CG2 4.34Å; Y474-V488 HydrophobicContact CE1-CB 4.24Å; Y474-V488 HydrophobicContact CE1-CG1 3.5Å; Y474-V488 HydrophobicContact CE1-CG2 3.62Å; Y474-V488 HydrophobicContact CE2-CG1 4.36Å; Y474-V488 HydrophobicContact CG-CG2 3.77Å; Y474-I511 WeakPolarHBondContact OH-CD1 3.32Å; Y474-D544 PolarHBondContact OH-OD2 3.16Å; Y474-F546 AromaticContact CD2-CD1 3.53Å; Y474-F546 HydrophobicContact CD2-CD1 3.53Å; Y474-F546 AromaticContact CD2-CE1 3.73Å; Y474-F546 HydrophobicContact CD2-CE1 3.73Å; Y474-F546 HydrophobicContact CD2-CG 4.27Å; Y474-F546 AromaticContact CE2-CD1 3.49Å; Y474-F546 HydrophobicContact CE2-CD1 3.49Å; Y474-F546 VanDerWaalsContact CE2-CD1 3.49Å; Y474-F546 HydrophobicContact CE2-CE1 4.04Å; Y474-F546 HydrophobicContact CE2-CG 4.29Å
475	M	96.2	Very high	94.2	Very high	45 Å²	45	76.3 Å²	76.3	22%	0.222	37%	0.373	C	S	.	.	H	α-helix	trans	-60.4	-37.6	172.3	-68.7	168.7	60.8	0	0	112	K471 Q472 M477 A478 N479 V563 G567	K471-M475 HydrophobicContact CG-SD 4.14Å; K471-M475 WeakPolarHBondContact O-CG 3.49Å; K471-M475 PolarHBondContact O-N 3.45Å; Q472-M475 PolarHBondContact O-N 3.46Å; M475-M477 VanDerWaalsContact C-N 3.33Å; M475-A478 WeakPolarHBondContact O-CB 2.98Å; M475-A478 PolarHBondContact O-N 3.13Å; M475-N479 PolarHBondContact O-N 3.39Å; M475-N479 PolarHBondContact O-ND2 3.39Å; M475-V563 HydrophobicContact CG-CG1 3.95Å; M475-G567 WeakPolarHBondContact SD-CA 3.43Å
476	Q	95.9	Very high	94.4	Very high	111 Å²	111	72.1 Å²	72.1	52%	0.519	35%	0.351	S	S	.	.	H	α-helix	trans	-66.8	-32.9	173.5	-70.8	175.4	21.7	0	0	112.4	Q472 Q473 Y474 K480	Q472-Q476 WeakPolarHBondContact O-CG 3.08Å; Q472-Q476 PolarHBondContact O-N 2.77Å; Q473-Q476 WeakPolarHBondContact O-CB 3.35Å; Q473-Q476 PolarHBondContact O-N 3.48Å; Y474-Q476 VanDerWaalsContact C-N 3.3Å; Y474-Q476 PolarHBondContact O-N 3.39Å; Q476-K480 WeakPolarHBondContact O-CG 3.42Å; Q476-K480 PolarHBondContact O-N 3.41Å
477	M	94.8	Very high	94.6	Very high	74 Å²	74	72.4 Å²	72.4	37%	0.365	36%	0.355	S	S	.	.	H	α-helix	trans	-73.7	-30.2	172.5	-58.5	-168.5	-156.7	0	0	112.8	Q473 Y474 M475 Y486	Q473-M477 WeakPolarHBondContact O-CG 3.07Å; Q473-M477 PolarHBondContact O-N 2.93Å; Q473-M477 VanDerWaalsContact O-N 3.1Å; Y474-M477 CarbonylContact O-C 3.51Å; Y474-M477 PolarHBondContact O-N 3.23Å; Y474-M477 VanDerWaalsContact O-N 3.07Å; M475-M477 VanDerWaalsContact C-N 3.33Å; M477-Y486 HydrophobicContact CB-CD2 3.34Å; M477-Y486 HydrophobicContact CB-CE2 3.58Å; M477-Y486 HydrophobicContact CB-CG 3.86Å; M477-Y486 HydrophobicContact CG-CD2 4.44Å; M477-Y486 HydrophobicContact CG-CE2 4.23Å; M477-Y486 HydrophobicContact SD-CD2 4.4Å; M477-Y486 HydrophobicContact SD-CE1 4.24Å; M477-Y486 HydrophobicContact SD-CE2 3.69Å
478	A	95.2	Very high	94.7	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-68.9	-42.8	172.1	0	0	0	0	0	112.1	Y474 M475 K480 R481 V563 K565	Y474-A478 PolarHBondContact O-N 2.92Å; M475-A478 WeakPolarHBondContact O-CB 2.98Å; M475-A478 PolarHBondContact O-N 3.13Å; A478-K480 PolarHBondContact O-N 2.69Å; A478-R481 PolarHBondContact O-N 2.8Å; A478-V563 WeakPolarHBondContact CB-O 3.34Å; A478-K565 HydrophobicContact CB-CB 4.39Å
479	N	95.3	Very high	94.8	Very high	101 Å²	101	71.8 Å²	71.8	54%	0.54	35%	0.353	S	S	.	.	H	α-helix	trans	-60.3	-29.1	174.7	-84.4	-71	0	0	0	113.3	M475 R481	M475-N479 PolarHBondContact O-N 3.39Å; M475-N479 PolarHBondContact O-ND2 3.39Å; N479-R481 VanDerWaalsContact C-N 3.26Å; N479-R481 PolarHBondContact O-N 2.88Å
480	K	95.4	Very high	94.8	Very high	175 Å²	175	67 Å²	67	76%	0.761	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	0.8	176.4	-70.3	170.9	-175.7	176.8	0	114.1	Q476 A478	Q476-K480 WeakPolarHBondContact O-CG 3.42Å; Q476-K480 PolarHBondContact O-N 3.41Å; A478-K480 PolarHBondContact O-N 2.69Å
481	R	94.1	Very high	94.8	Very high	109 Å²	109	67.9 Å²	67.9	41%	0.411	34%	0.336	S	S	.	.	S	Bend	trans	-112.9	134.2	178.5	-71.5	176.7	170.3	-140.9	7.6	110.6	A478 N479 A483 G484 F485 P487	A478-R481 PolarHBondContact O-N 2.8Å; N479-R481 VanDerWaalsContact C-N 3.26Å; N479-R481 PolarHBondContact O-N 2.88Å; R481-A483 PolarHBondContact O-N 2.75Å; R481-A483 VanDerWaalsContact O-N 3.17Å; R481-G484 PolarHBondContact O-N 3.15Å; R481-F485 WeakPolarHBondContact CD-O 3.47Å; R481-P487 VanDerWaalsContact NH1-CD 3.27Å
482	Q	93.3	Very high	94.8	Very high	213 Å²	213	64.6 Å²	64.6	100%	0.995	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-34.9	175.5	-68.4	176.3	-13	0	0	112.8	G484	Q482-G484 PolarHBondContact O-N 2.69Å
483	A	90.5	Very high	94.8	Very high	69 Å²	69	62 Å²	62	57%	0.57	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-10.3	176.6	0	0	0	0	0	114.5	R481 F485	R481-A483 PolarHBondContact O-N 2.75Å; R481-A483 VanDerWaalsContact O-N 3.17Å; A483-F485 HydrophobicContact CB-CD1 3.98Å; A483-F485 HydrophobicContact CB-CE1 3.75Å; A483-F485 HydrophobicContact CB-CZ 4.34Å; A483-F485 VanDerWaalsContact O-CD1 3.28Å; A483-F485 WeakPolarHBondContact O-CD1 3.34Å; A483-F485 PolarHBondContact O-N 2.91Å
484	G	93.3	Very high	94.7	Very high	11 Å²	11	61 Å²	61	11%	0.113	31%	0.309	C	S	.	.	S	Bend	trans	71.2	4.9	177.9	0	0	0	0	0	116.1	R481 Q482 K565	R481-G484 PolarHBondContact O-N 3.15Å; Q482-G484 PolarHBondContact O-N 2.69Å; G484-K565 WeakPolarHBondContact O-CB 3.24Å; G484-K565 WeakPolarHBondContact O-CG 3.24Å; G484-K565 PolarHBondContact O-N 3.13Å
485	F	95.4	Very high	94.6	Very high	70 Å²	70	61.7 Å²	61.7	31%	0.307	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	159.8	176.3	70.6	-97.7	0	0	0	112.3	R481 A483 I562 V563 E564	R481-F485 WeakPolarHBondContact CD-O 3.47Å; A483-F485 HydrophobicContact CB-CD1 3.98Å; A483-F485 HydrophobicContact CB-CE1 3.75Å; A483-F485 HydrophobicContact CB-CZ 4.34Å; A483-F485 VanDerWaalsContact O-CD1 3.28Å; A483-F485 WeakPolarHBondContact O-CD1 3.34Å; A483-F485 PolarHBondContact O-N 2.91Å; F485-I562 HydrophobicContact CB-CG2 3.79Å; F485-I562 HydrophobicContact CD2-CD1 4.48Å; F485-I562 HydrophobicContact CD2-CG2 3.66Å; F485-I562 HydrophobicContact CE2-CG2 4.47Å; F485-I562 HydrophobicContact CG-CG2 3.88Å; F485-V563 CarbonylContact C-O 3.38Å; F485-V563 VanDerWaalsContact CA-O 3.32Å; F485-V563 WeakPolarHBondContact CA-O 3.26Å; F485-E564 HydrophobicContact CB-CG 4.32Å
486	Y	95.7	Very high	94.5	Very high	56 Å²	56	66.3 Å²	66.3	22%	0.22	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	122.2	177.3	-172.4	-82.9	0	0	0	110.6	Y474 M477 V488 V563	Y474-Y486 HydrophobicContact CD1-CD1 4.29Å; Y474-Y486 HydrophobicContact CD1-CE1 4.23Å; M477-Y486 HydrophobicContact CB-CD2 3.34Å; M477-Y486 HydrophobicContact CB-CE2 3.58Å; M477-Y486 HydrophobicContact CB-CG 3.86Å; M477-Y486 HydrophobicContact CG-CD2 4.44Å; M477-Y486 HydrophobicContact CG-CE2 4.23Å; M477-Y486 HydrophobicContact SD-CD2 4.4Å; M477-Y486 HydrophobicContact SD-CE1 4.24Å; M477-Y486 HydrophobicContact SD-CE2 3.69Å; Y486-V488 HydrophobicContact CD1-CG2 3.69Å; Y486-V488 HydrophobicContact CE1-CG2 3.99Å; Y486-V563 PolarHBondContact N-O 3.18Å; Y486-V563 PolarHBondContact O-N 3.28Å
487	P	94.5	Very high	94.3	Very high	42 Å²	42	63.5 Å²	63.5	27%	0.273	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	123.8	171.1	31.4	-30.7	0	0	0	110.7	R481 L561 I562	R481-P487 VanDerWaalsContact NH1-CD 3.27Å; P487-L561 CarbonylContact C-O 3.53Å; P487-L561 VanDerWaalsContact CA-O 3.29Å; P487-L561 WeakPolarHBondContact CA-O 3.38Å; P487-I562 HydrophobicContact CB-CD1 3.8Å
488	V	95	Very high	94.2	Very high	9 Å²	9	60.5 Å²	60.5	6%	0.055	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	121.2	174.7	-166	0	0	0	0	108.5	Y474 Y486 L547 D560 L561 V563	Y474-V488 HydrophobicContact CD1-CB 4.46Å; Y474-V488 HydrophobicContact CD1-CG1 4.19Å; Y474-V488 HydrophobicContact CD1-CG2 3.38Å; Y474-V488 HydrophobicContact CD2-CG2 4.34Å; Y474-V488 HydrophobicContact CE1-CB 4.24Å; Y474-V488 HydrophobicContact CE1-CG1 3.5Å; Y474-V488 HydrophobicContact CE1-CG2 3.62Å; Y474-V488 HydrophobicContact CE2-CG1 4.36Å; Y474-V488 HydrophobicContact CG-CG2 3.77Å; Y486-V488 HydrophobicContact CD1-CG2 3.69Å; Y486-V488 HydrophobicContact CE1-CG2 3.99Å; V488-L547 HydrophobicContact CB-CD2 4.32Å; V488-L547 HydrophobicContact CG1-CD1 3.89Å; V488-L547 HydrophobicContact CG1-CD2 3.78Å; V488-L547 HydrophobicContact CG1-CG 4.27Å; V488-D560 CarbonylContact O-C 3.53Å; V488-D560 WeakPolarHBondContact O-CA 3.4Å; V488-L561 HydrophobicContact CB-CB 4.44Å; V488-L561 PolarHBondContact N-O 3.32Å; V488-L561 PolarHBondContact O-N 3.35Å; V488-V563 HydrophobicContact CG2-CG2 3.95Å
489	S	94.6	Very high	94.2	Very high	52 Å²	52	60.9 Å²	60.9	36%	0.364	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	136.7	-175.2	-153.3	0	0	0	0	113.4	N491 M499 N559 D560	S489-N491 VanDerWaalsContact C-N 3.26Å; S489-M499 WeakPolarHBondContact O-CE 3.45Å; S489-N559 PolarHBondContact OG-O 3.35Å; S489-D560 WeakPolarHBondContact CA-OD1 3.45Å; S489-D560 WeakPolarHBondContact CB-OD1 3.35Å; S489-D560 PolarHBondContact OG-OD1 2.84Å
490	L	94.1	Very high	94.1	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.288	C	S	.	.	S	Bend	trans	-82.5	-7.1	173.1	-54	177.1	0	0	0	111.8	R498 M499 L547 L551 I554 N559 L561	L490-R498 WeakPolarHBondContact O-CA 3.33Å; L490-M499 WeakPolarHBondContact O-CE 3.29Å; L490-M499 WeakPolarHBondContact O-CG 3.39Å; L490-M499 PolarHBondContact O-N 3.37Å; L490-L547 HydrophobicContact CD2-CD2 4.13Å; L490-L551 HydrophobicContact CB-CD2 3.95Å; L490-L551 HydrophobicContact CD2-CD2 4.01Å; L490-L551 HydrophobicContact CG-CD2 4.43Å; L490-I554 HydrophobicContact CD1-CB 4.28Å; L490-I554 HydrophobicContact CD1-CD1 3.79Å; L490-I554 HydrophobicContact CD1-CG2 3.79Å; L490-I554 HydrophobicContact CD2-CD1 4.48Å; L490-N559 VanDerWaalsContact CB-O 3.31Å; L490-N559 WeakPolarHBondContact CB-O 3.37Å; L490-N559 PolarHBondContact N-O 3.49Å; L490-L561 HydrophobicContact CD2-CD1 4.09Å; L490-L561 HydrophobicContact CD2-CG 4.15Å
491	N	94.6	Very high	94.1	Very high	31 Å²	31	49.2 Å²	49.2	17%	0.166	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-93.3	133.7	179.5	-72.3	-51	0	0	0	112.5	S489 V493 K497 R498 N559	S489-N491 VanDerWaalsContact C-N 3.26Å; N491-V493 PolarHBondContact O-N 3.11Å; N491-K497 WeakPolarHBondContact CA-O 3.26Å; N491-R498 VanDerWaalsContact OD1-CA 3.25Å; N491-R498 WeakPolarHBondContact OD1-CA 3.41Å; N491-R498 PolarHBondContact OD1-N 3.24Å; N491-N559 WeakPolarHBondContact ND2-CB 3.13Å; N491-N559 PolarHBondContact ND2-OD1 3.13Å
492	C	95.3	Very high	94.2	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.			trans	-58.9	129.3	177.3	174.2	0	0	0	0	111	L494 S495 K496 K497 M499 D513	C492-L494 PolarHBondContact O-N 2.92Å; C492-L494 PolarHBondContact SG-N 3.46Å; C492-L494 VanDerWaalsContact SG-N 3.45Å; C492-S495 WeakPolarHBondContact CB-OG 3.31Å; C492-K496 VanDerWaalsContact O-CA 3.28Å; C492-K496 WeakPolarHBondContact O-CA 3.43Å; C492-K496 PolarHBondContact O-N 2.97Å; C492-K497 WeakPolarHBondContact CB-O 3.31Å; C492-K497 PolarHBondContact N-O 3.07Å; C492-M499 HydrophobicContact CB-CG 3.81Å; C492-M499 HydrophobicContact CB-SD 4.49Å; C492-D513 HydrophobicContact CB-CB 4.09Å; C492-D513 PolarHBondContact SG-N 3.08Å
493	V	95.8	Very high	94.3	Very high	48 Å²	48	33.9 Å²	33.9	29%	0.291	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-26.7	-179.4	170.2	0	0	0	0	112.8	N491 K496 K510 I511 F512	N491-V493 PolarHBondContact O-N 3.11Å; V493-K496 WeakPolarHBondContact O-CE 3.34Å; V493-K496 PolarHBondContact O-NZ 3.4Å; V493-K510 HydrophobicContact CG2-CB 4.32Å; V493-K510 HydrophobicContact CG2-CD 4.35Å; V493-I511 WeakPolarHBondContact CG2-O 3.41Å; V493-I511 PolarHBondContact N-O 3.12Å; V493-F512 HydrophobicContact CB-CD1 3.91Å; V493-F512 HydrophobicContact CB-CE1 3.81Å; V493-F512 HydrophobicContact CG1-CE1 3.99Å
494	L	93.5	Very high	94.5	Very high	50 Å²	50	31.9 Å²	31.9	26%	0.262	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-62.8	175.5	-65.1	168.2	0	0	0	112.1	C492 F512 L517 A520	C492-L494 PolarHBondContact O-N 2.92Å; C492-L494 PolarHBondContact SG-N 3.46Å; C492-L494 VanDerWaalsContact SG-N 3.45Å; L494-F512 HydrophobicContact CD1-CD1 3.98Å; L494-F512 HydrophobicContact CD1-CG 4.39Å; L494-F512 HydrophobicContact CG-CD1 3.7Å; L494-F512 HydrophobicContact CG-CE1 4.08Å; L494-L517 HydrophobicContact CD1-CD1 4.22Å; L494-A520 HydrophobicContact CD1-CB 4.44Å
495	S	94.1	Very high	94.6	Very high	29 Å²	29	31.4 Å²	31.4	20%	0.203	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-11.8	-170.3	64.7	0	0	0	0	115.2	C492 K497 Q516	C492-S495 WeakPolarHBondContact CB-OG 3.31Å; S495-K497 PolarHBondContact O-N 3.19Å; S495-K497 VanDerWaalsContact O-N 3.16Å; S495-K497 PolarHBondContact OG-N 3.07Å; S495-Q516 VanDerWaalsContact CB-CD 3.45Å; S495-Q516 PolarHBondContact OG-NE2 3.19Å
496	K	93.6	Very high	94.3	Very high	142 Å²	142	33.4 Å²	33.4	62%	0.617	17%	0.168	S	C	*	.			trans	57.2	18.1	-170.1	-43.5	-53.6	-176.2	-170	0	114	C492 V493	C492-K496 VanDerWaalsContact O-CA 3.28Å; C492-K496 WeakPolarHBondContact O-CA 3.43Å; C492-K496 PolarHBondContact O-N 2.97Å; V493-K496 WeakPolarHBondContact O-CE 3.34Å; V493-K496 PolarHBondContact O-NZ 3.4Å
497	K	93	Very high	94.1	Very high	53 Å²	53	37 Å²	37	23%	0.23	19%	0.187	C	C	.	.	S	Bend	trans	-105	152.4	175.9	-53.2	-45.9	-171.8	70.2	0	110.4	H324 E326 V327 N491 C492 S495 M499	H324-K497 PolarHBondContact CE1-NZ 3.19Å; H324-K497 PolarHBondContact NE2-NZ 3.3Å; H324-K497 VanDerWaalsContact NE2-NZ 3.18Å; E326-K497 IonicContact OE1-NZ 2.6Å; E326-K497 PolarHBondContact OE1-NZ 3.35Å; E326-K497 IonicContact OE2-NZ 3.71Å; E326-K497 PolarHBondContact OE2-NZ 3.44Å; V327-K497 HydrophobicContact CG2-CB 4.01Å; N491-K497 WeakPolarHBondContact CA-O 3.26Å; C492-K497 WeakPolarHBondContact CB-O 3.31Å; C492-K497 PolarHBondContact N-O 3.07Å; S495-K497 PolarHBondContact O-N 3.19Å; S495-K497 VanDerWaalsContact O-N 3.16Å; S495-K497 PolarHBondContact OG-N 3.07Å; K497-M499 PolarHBondContact O-N 3.46Å
498	R	92.9	Very high	94	Very high	11 Å²	11	35.5 Å²	35.5	4%	0.042	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-56.5	131.6	-179.5	-171	178.9	176.4	134.6	-14.7	111	H324 L490 N491 L551 I554 P555 V558	H324-R498 HydrophobicContact CB-CB 4.49Å; L490-R498 WeakPolarHBondContact O-CA 3.33Å; N491-R498 VanDerWaalsContact OD1-CA 3.25Å; N491-R498 WeakPolarHBondContact OD1-CA 3.41Å; N491-R498 PolarHBondContact OD1-N 3.24Å; R498-L551 HydrophobicContact CG-CD2 4.11Å; R498-L551 PolarHBondContact NH2-O 2.91Å; R498-I554 PolarHBondContact NH1-O 2.89Å; R498-I554 PolarHBondContact NH2-O 3.22Å; R498-P555 PolarHBondContact NH1-O 2.82Å; R498-V558 PolarHBondContact NH1-O 3.48Å
499	M	94.3	Very high	93.9	Very high	8 Å²	8	44.7 Å²	44.7	4%	0.039	22%	0.217	C	C	.	.			trans	-71.2	151.6	-177.9	-61.6	-178.3	-77.3	0	0	111.3	S489 L490 C492 K497 P502 I511 F512 D513 L547 L551	S489-M499 WeakPolarHBondContact O-CE 3.45Å; L490-M499 WeakPolarHBondContact O-CE 3.29Å; L490-M499 WeakPolarHBondContact O-CG 3.39Å; L490-M499 PolarHBondContact O-N 3.37Å; C492-M499 HydrophobicContact CB-CG 3.81Å; C492-M499 HydrophobicContact CB-SD 4.49Å; K497-M499 PolarHBondContact O-N 3.46Å; M499-P502 HydrophobicContact CB-CB 4.49Å; M499-P502 HydrophobicContact CE-CB 4.04Å; M499-P502 HydrophobicContact SD-CB 3.94Å; M499-I511 HydrophobicContact CE-CG2 4.07Å; M499-I511 HydrophobicContact SD-CB 4.49Å; M499-I511 HydrophobicContact SD-CG2 3.74Å; M499-F512 VanDerWaalsContact SD-C 3.54Å; M499-D513 HydrophobicContact CB-CB 4.18Å; M499-D513 HydrophobicContact CG-CB 4.03Å; M499-L547 HydrophobicContact CE-CD1 4.26Å; M499-L551 HydrophobicContact CB-CD1 4.1Å
500	F	93.5	Very high	93.9	Very high	31 Å²	31	47.1 Å²	47.1	14%	0.136	22%	0.221	C	C	.	.	S	Bend	trans	-104.4	-47.4	165.1	175.1	-146.5	0	0	0	110.6	Y323 V327 Y331 D513	Y323-F500 AromaticContact CD1-CD2 3.71Å; Y323-F500 HydrophobicContact CD1-CD2 3.71Å; Y323-F500 HydrophobicContact CD1-CE2 4.02Å; Y323-F500 HydrophobicContact CD1-CG 4.22Å; Y323-F500 AromaticContact CE1-CD2 3.48Å; Y323-F500 HydrophobicContact CE1-CD2 3.48Å; Y323-F500 VanDerWaalsContact CE1-CD2 3.48Å; Y323-F500 AromaticContact CE1-CE2 3.41Å; Y323-F500 HydrophobicContact CE1-CE2 3.41Å; Y323-F500 VanDerWaalsContact CE1-CE2 3.41Å; Y323-F500 HydrophobicContact CE1-CG 4.4Å; Y323-F500 HydrophobicContact CE1-CZ 4.27Å; V327-F500 HydrophobicContact CG1-CB 4.02Å; Y331-F500 AromaticContact CD1-CD1 3.98Å; Y331-F500 HydrophobicContact CD1-CD1 3.98Å; Y331-F500 HydrophobicContact CD1-CE1 4.16Å; Y331-F500 AromaticContact CD2-CD1 3.78Å; Y331-F500 HydrophobicContact CD2-CD1 3.78Å; Y331-F500 AromaticContact CE1-CD1 3.79Å; Y331-F500 HydrophobicContact CE1-CD1 3.79Å; Y331-F500 HydrophobicContact CE1-CE1 4.22Å; Y331-F500 HydrophobicContact CE2-CB 3.87Å; Y331-F500 AromaticContact CE2-CD1 3.61Å; Y331-F500 HydrophobicContact CE2-CD1 3.61Å; Y331-F500 HydrophobicContact CE2-CG 4.23Å; Y331-F500 AromaticContact CG-CD1 3.98Å; Y331-F500 HydrophobicContact CG-CD1 3.98Å; Y331-F500 HydrophobicContact CG-CE1 4.35Å; Y331-F500 AromaticContact CZ-CD1 3.62Å; F500-D513 PolarHBondContact N-OD2 2.99Å
501	T	94.9	Very high	93.9	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	-117.4	102.6	169.9	-48.7	0	0	0	0	108.6	Y331 R452 L455 A503 D513 L514	Y331-T501 WeakPolarHBondContact OH-CB 3.39Å; Y331-T501 PolarHBondContact OH-N 3.09Å; Y331-T501 VanDerWaalsContact OH-N 3.14Å; Y331-T501 PolarHBondContact OH-OG1 3.28Å; Y331-T501 VanDerWaalsContact OH-OG1 3.07Å; R452-T501 VanDerWaalsContact CD-OG1 3.28Å; R452-T501 WeakPolarHBondContact CD-OG1 3.38Å; R452-T501 HydrophobicContact CG-CG2 4.19Å; L455-T501 HydrophobicContact CD2-CG2 4.48Å; T501-A503 PolarHBondContact O-N 2.9Å; T501-D513 PolarHBondContact N-OD2 2.99Å; T501-D513 VanDerWaalsContact N-OD2 3.1Å; T501-D513 WeakPolarHBondContact O-CA 3.38Å; T501-L514 HydrophobicContact CG2-CB 4.29Å; T501-L514 HydrophobicContact CG2-CD2 4.43Å; T501-L514 PolarHBondContact O-N 3.17Å
502	P	95.7	Very high	94	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	120	178.4	30.8	-31	0	0	0	108.7	M499 I511 F512 A543 D544 L547 L548 L551	M499-P502 HydrophobicContact CB-CB 4.49Å; M499-P502 HydrophobicContact CE-CB 4.04Å; M499-P502 HydrophobicContact SD-CB 3.94Å; P502-I511 HydrophobicContact CB-CG2 3.75Å; P502-F512 CarbonylContact C-O 3.5Å; P502-F512 WeakPolarHBondContact CA-O 3.37Å; P502-A543 WeakPolarHBondContact O-CA 3.23Å; P502-D544 HydrophobicContact CB-CB 4.2Å; P502-D544 HydrophobicContact CG-CB 4.27Å; P502-D544 WeakPolarHBondContact CG-O 3.33Å; P502-D544 PolarHBondContact O-N 3.5Å; P502-L547 HydrophobicContact CB-CB 4.09Å; P502-L547 HydrophobicContact CB-CD1 4.36Å; P502-L547 HydrophobicContact CG-CB 3.79Å; P502-L548 HydrophobicContact CG-CB 4.21Å; P502-L551 HydrophobicContact CB-CD1 4.19Å; P502-L551 HydrophobicContact CG-CD1 3.66Å
503	A	96.1	Very high	94.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	153.3	-173.3	0	0	0	0	0	112.4	L455 T501 F512 L514 I541 T542	L455-A503 HydrophobicContact CD2-CB 4.35Å; T501-A503 PolarHBondContact O-N 2.9Å; A503-F512 PolarHBondContact N-O 2.95Å; A503-F512 PolarHBondContact O-N 3.05Å; A503-L514 HydrophobicContact CB-CB 4.35Å; A503-L514 HydrophobicContact CB-CD1 4.39Å; A503-I541 HydrophobicContact CB-CG2 3.96Å; A503-T542 CarbonylContact C-O 3.52Å; A503-T542 VanDerWaalsContact CA-O 3.26Å; A503-T542 WeakPolarHBondContact CA-O 3.36Å
504	K	95.1	Very high	94.1	Very high	27 Å²	27	44.3 Å²	44.3	12%	0.117	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	146.1	177.6	67.9	-161.1	178.9	-155.2	0	109.9	C508 K510 I511 T542 D544	K504-C508 HydrophobicContact CB-CB 4.3Å; K504-K510 VanDerWaalsContact CB-O 3.24Å; K504-K510 WeakPolarHBondContact CB-O 3.38Å; K504-I511 HydrophobicContact CD-CD1 4.4Å; K504-I511 HydrophobicContact CD-CG1 4.08Å; K504-T542 PolarHBondContact N-O 2.91Å; K504-T542 PolarHBondContact O-N 3.41Å; K504-T542 PolarHBondContact O-OG1 3.45Å; K504-D544 IonicContact NZ-OD2 3.75Å; K504-D544 PolarHBondContact NZ-OD2 2.88Å
505	H	94.8	Very high	94.3	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	152.1	164.1	71.2	96	0	0	0	109.8	E507 C508 C529 C532 F536 D540	H505-E507 VanDerWaalsContact C-N 3.31Å; H505-E507 PolarHBondContact O-N 2.99Å; H505-E507 VanDerWaalsContact O-N 3.16Å; H505-C508 WeakPolarHBondContact NE2-CB 3.17Å; H505-C508 VanDerWaalsContact O-CB 3.29Å; H505-C508 WeakPolarHBondContact O-CB 3.46Å; H505-C508 PolarHBondContact O-N 3.12Å; H505-C529 WeakPolarHBondContact NE2-CB 3.28Å; H505-C532 PolarHBondContact NE2-SG 2.93Å; H505-F536 HydrophobicContact CB-CB 4.08Å; H505-F536 HydrophobicContact CB-CD1 4.22Å; H505-F536 HydrophobicContact CB-CD2 3.47Å; H505-F536 VanDerWaalsContact CB-CD2 3.47Å; H505-F536 HydrophobicContact CB-CE2 3.92Å; H505-F536 HydrophobicContact CB-CG 3.66Å; H505-F536 HydrophobicContact CB-CZ 4.47Å; H505-F536 AromaticContact CD2-CD1 3.59Å; H505-F536 AromaticContact CD2-CE1 3.67Å; H505-F536 AromaticContact CD2-CG 3.96Å; H505-F536 AromaticContact CG-CD1 3.84Å; H505-F536 AromaticContact CG-CG 3.73Å; H505-D540 CarbonylContact C-O 3.56Å; H505-D540 WeakPolarHBondContact CA-O 3.49Å; H505-D540 HydrophobicContact CB-CB 4.23Å
506	H	89.8	Confident	94.4	Very high	111 Å²	111	41.8 Å²	41.8	51%	0.514	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-41.2	-169.6	62	-81.6	0	0	0	115	C508 D540	H506-C508 VanDerWaalsContact C-N 3.31Å; H506-C508 PolarHBondContact O-N 3.4Å; H506-D540 WeakPolarHBondContact CE1-CA 3.46Å; H506-D540 WeakPolarHBondContact CE1-CB 3.36Å; H506-D540 PolarHBondContact CE1-O 3.39Å; H506-D540 IonicContact CE1-OD1 2.67Å; H506-D540 PolarHBondContact CE1-OD1 3.18Å; H506-D540 PolarHBondContact N-O 2.69Å; H506-D540 WeakPolarHBondContact ND1-CB 3.46Å; H506-D540 IonicContact ND1-OD1 3.22Å; H506-D540 WeakPolarHBondContact NE2-CB 3.5Å; H506-D540 IonicContact NE2-OD1 2.89Å; H506-D540 PolarHBondContact NE2-OD1 3.19Å; H506-D540 IonicContact NE2-OD2 2.73Å; H506-D540 PolarHBondContact NE2-OD2 2.69Å
507	E	90.5	Very high	94.5	Very high	133 Å²	133	35.2 Å²	35.2	62%	0.621	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-12.5	176	-82.2	167.7	-160.4	0	0	114.9	H505	H505-E507 VanDerWaalsContact C-N 3.31Å; H505-E507 PolarHBondContact O-N 2.99Å; H505-E507 VanDerWaalsContact O-N 3.16Å
508	C	93.8	Very high	94.7	Very high	10 Å²	10	32.7 Å²	32.7	7%	0.068	15%	0.148	C	C	.	.			trans	-83.6	128.3	-170.7	-145.2	0	0	0	0	113.5	K504 H505 H506 K510	K504-C508 HydrophobicContact CB-CB 4.3Å; H505-C508 WeakPolarHBondContact NE2-CB 3.17Å; H505-C508 VanDerWaalsContact O-CB 3.29Å; H505-C508 WeakPolarHBondContact O-CB 3.46Å; H505-C508 PolarHBondContact O-N 3.12Å; H506-C508 VanDerWaalsContact C-N 3.31Å; H506-C508 PolarHBondContact O-N 3.4Å; C508-K510 PolarHBondContact O-N 3.35Å
509	K	91.8	Very high	94.8	Very high	202 Å²	202	34.9 Å²	34.9	88%	0.878	16%	0.161	S	C	*	.	S	Bend	trans	-85.3	10.6	172.4	-61.7	176.1	-176.5	170.3	0	113.4
510	K	94.1	Very high	94.8	Very high	102 Å²	102	36.7 Å²	36.7	44%	0.443	18%	0.177	S	C	.	.	S	Bend	trans	-130.9	153.1	-179	-64.1	-60.1	-179.7	-173.5	0	110.6	V493 K504 C508 F512 T531	V493-K510 HydrophobicContact CG2-CB 4.32Å; V493-K510 HydrophobicContact CG2-CD 4.35Å; K504-K510 VanDerWaalsContact CB-O 3.24Å; K504-K510 WeakPolarHBondContact CB-O 3.38Å; C508-K510 PolarHBondContact O-N 3.35Å; K510-F512 HydrophobicContact CB-CE1 4.22Å; K510-F512 HydrophobicContact CB-CE2 4.42Å; K510-F512 HydrophobicContact CB-CZ 3.82Å; K510-T531 HydrophobicContact CB-CG2 4.34Å; K510-T531 HydrophobicContact CG-CG2 3.61Å
511	I	95.3	Very high	94.8	Very high	20 Å²	20	36.1 Å²	36.1	10%	0.103	18%	0.175	C	C	.	.			trans	-119	140.7	-174.4	-53.5	-174.9	0	0	0	108.8	Y474 V493 M499 P502 K504 D544 L547	Y474-I511 WeakPolarHBondContact OH-CD1 3.32Å; V493-I511 WeakPolarHBondContact CG2-O 3.41Å; V493-I511 PolarHBondContact N-O 3.12Å; M499-I511 HydrophobicContact CE-CG2 4.07Å; M499-I511 HydrophobicContact SD-CB 4.49Å; M499-I511 HydrophobicContact SD-CG2 3.74Å; P502-I511 HydrophobicContact CB-CG2 3.75Å; K504-I511 HydrophobicContact CD-CD1 4.4Å; K504-I511 HydrophobicContact CD-CG1 4.08Å; I511-D544 HydrophobicContact CD1-CB 4.06Å; I511-D544 WeakPolarHBondContact CD1-OD2 3.37Å; I511-L547 HydrophobicContact CD1-CD1 3.79Å
512	F	96.8	Very high	94.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	160.1	-175.5	-46.3	-72.2	0	0	0	108.7	V493 L494 M499 P502 A503 K510 L517	V493-F512 HydrophobicContact CB-CD1 3.91Å; V493-F512 HydrophobicContact CB-CE1 3.81Å; V493-F512 HydrophobicContact CG1-CE1 3.99Å; L494-F512 HydrophobicContact CD1-CD1 3.98Å; L494-F512 HydrophobicContact CD1-CG 4.39Å; L494-F512 HydrophobicContact CG-CD1 3.7Å; L494-F512 HydrophobicContact CG-CE1 4.08Å; M499-F512 VanDerWaalsContact SD-C 3.54Å; P502-F512 CarbonylContact C-O 3.5Å; P502-F512 WeakPolarHBondContact CA-O 3.37Å; A503-F512 PolarHBondContact N-O 2.95Å; A503-F512 PolarHBondContact O-N 3.05Å; K510-F512 HydrophobicContact CB-CE1 4.22Å; K510-F512 HydrophobicContact CB-CE2 4.42Å; K510-F512 HydrophobicContact CB-CZ 3.82Å; F512-L517 HydrophobicContact CB-CB 4.32Å; F512-L517 HydrophobicContact CB-CD1 4.43Å; F512-L517 HydrophobicContact CD2-CD1 3.98Å; F512-L517 HydrophobicContact CD2-CD2 4.28Å; F512-L517 HydrophobicContact CG-CD1 4.2Å
513	D	96.8	Very high	94.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	136.6	160.3	174.6	-100.5	0	0	0	109.3	Y331 C492 M499 F500 T501 A515 Q516 L517	Y331-D513 WeakPolarHBondContact CE2-OD1 3.31Å; Y331-D513 PolarHBondContact OH-OD1 2.81Å; Y331-D513 PolarHBondContact OH-OD2 2.89Å; C492-D513 HydrophobicContact CB-CB 4.09Å; C492-D513 PolarHBondContact SG-N 3.08Å; M499-D513 HydrophobicContact CB-CB 4.18Å; M499-D513 HydrophobicContact CG-CB 4.03Å; F500-D513 PolarHBondContact N-OD2 2.99Å; T501-D513 PolarHBondContact N-OD2 2.99Å; T501-D513 VanDerWaalsContact N-OD2 3.1Å; T501-D513 WeakPolarHBondContact O-CA 3.38Å; D513-A515 PolarHBondContact O-N 3.26Å; D513-A515 WeakPolarHBondContact OD1-CB 3.43Å; D513-A515 PolarHBondContact OD1-N 2.97Å; D513-Q516 HydrophobicContact CB-CB 4.14Å; D513-Q516 HydrophobicContact CB-CG 3.9Å; D513-Q516 WeakPolarHBondContact O-CB 3.01Å; D513-Q516 PolarHBondContact O-N 3.13Å; D513-Q516 PolarHBondContact OD1-N 3.34Å; D513-L517 PolarHBondContact O-N 3.06Å
514	L	97	Very high	93.9	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-55.3	-48.3	-178.8	-177.7	64.8	0	0	0	112.4	V448 R452 L455 T501 A503 Q516 L517 I518 I541	V448-L514 HydrophobicContact CG1-CD2 4.27Å; V448-L514 HydrophobicContact CG1-CG 4.23Å; R452-L514 HydrophobicContact CB-CD2 3.98Å; L455-L514 HydrophobicContact CD2-CD1 4.1Å; L455-L514 HydrophobicContact CD2-CD2 3.89Å; T501-L514 HydrophobicContact CG2-CB 4.29Å; T501-L514 HydrophobicContact CG2-CD2 4.43Å; T501-L514 PolarHBondContact O-N 3.17Å; A503-L514 HydrophobicContact CB-CB 4.35Å; A503-L514 HydrophobicContact CB-CD1 4.39Å; L514-Q516 VanDerWaalsContact C-N 3.31Å; L514-Q516 PolarHBondContact O-N 3.48Å; L514-L517 WeakPolarHBondContact O-CB 3.04Å; L514-L517 PolarHBondContact O-N 2.64Å; L514-L517 VanDerWaalsContact O-N 3.09Å; L514-I518 HydrophobicContact CD1-CD1 4.31Å; L514-I518 HydrophobicContact CD1-CG1 4.15Å; L514-I518 HydrophobicContact CG-CG1 4.35Å; L514-I518 WeakPolarHBondContact O-CG1 3.41Å; L514-I518 PolarHBondContact O-N 3.2Å; L514-I541 HydrophobicContact CD1-CD1 4.43Å; L514-I541 HydrophobicContact CD1-CG2 4.24Å
515	A	96.8	Very high	93.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-66.1	-34.8	-178.6	0	0	0	0	0	112.5	L330 Y331 V448 D513 N519	L330-A515 HydrophobicContact CB-CB 3.69Å; Y331-A515 HydrophobicContact CD1-CB 4.37Å; Y331-A515 HydrophobicContact CD2-CB 3.5Å; Y331-A515 VanDerWaalsContact CD2-CB 3.5Å; Y331-A515 HydrophobicContact CE1-CB 4.25Å; Y331-A515 HydrophobicContact CE2-CB 3.32Å; Y331-A515 HydrophobicContact CG-CB 4.02Å; V448-A515 HydrophobicContact CB-CB 4.47Å; V448-A515 HydrophobicContact CG1-CB 3.77Å; D513-A515 PolarHBondContact O-N 3.26Å; D513-A515 WeakPolarHBondContact OD1-CB 3.43Å; D513-A515 PolarHBondContact OD1-N 2.97Å; A515-N519 WeakPolarHBondContact O-CB 3.49Å; A515-N519 PolarHBondContact O-N 3.49Å
516	Q	96.6	Very high	93.4	Very high	27 Å²	27	45 Å²	45	13%	0.126	22%	0.221	C	C	.	.	H	α-helix	trans	-63.9	-40.7	171.3	-64.4	-74.5	-6.9	0	0	111.8	L330 S495 D513 L514 A520	L330-Q516 HydrophobicContact CD1-CG 4.04Å; L330-Q516 VanDerWaalsContact CD1-NE2 3.26Å; S495-Q516 VanDerWaalsContact CB-CD 3.45Å; S495-Q516 PolarHBondContact OG-NE2 3.19Å; D513-Q516 HydrophobicContact CB-CB 4.14Å; D513-Q516 HydrophobicContact CB-CG 3.9Å; D513-Q516 WeakPolarHBondContact O-CB 3.01Å; D513-Q516 PolarHBondContact O-N 3.13Å; D513-Q516 PolarHBondContact OD1-N 3.34Å; L514-Q516 VanDerWaalsContact C-N 3.31Å; L514-Q516 PolarHBondContact O-N 3.48Å; Q516-A520 VanDerWaalsContact O-CB 3.25Å; Q516-A520 WeakPolarHBondContact O-CB 3.46Å; Q516-A520 PolarHBondContact O-N 2.86Å
517	L	96	Very high	93.6	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-68.1	-42.3	179.8	-170.1	63.9	0	0	0	112.5	L494 F512 D513 L514 N521 F536 I541	L494-L517 HydrophobicContact CD1-CD1 4.22Å; F512-L517 HydrophobicContact CB-CB 4.32Å; F512-L517 HydrophobicContact CB-CD1 4.43Å; F512-L517 HydrophobicContact CD2-CD1 3.98Å; F512-L517 HydrophobicContact CD2-CD2 4.28Å; F512-L517 HydrophobicContact CG-CD1 4.2Å; D513-L517 PolarHBondContact O-N 3.06Å; L514-L517 WeakPolarHBondContact O-CB 3.04Å; L514-L517 PolarHBondContact O-N 2.64Å; L514-L517 VanDerWaalsContact O-N 3.09Å; L517-N521 PolarHBondContact O-ND2 3.4Å; L517-F536 HydrophobicContact CD1-CZ 4.07Å; L517-F536 HydrophobicContact CD2-CE2 4.18Å; L517-F536 HydrophobicContact CD2-CZ 4Å; L517-F536 HydrophobicContact CG-CZ 4.18Å; L517-I541 HydrophobicContact CD2-CD1 4.36Å
518	I	96.3	Very high	93.7	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-68.9	-47.1	175.3	-56.9	-59.9	0	0	0	110.5	T334 V448 L451 L514 A520 N521 K522 Y527 F538 I541	T334-I518 HydrophobicContact CG2-CB 4.28Å; T334-I518 HydrophobicContact CG2-CG2 3.91Å; V448-I518 HydrophobicContact CG2-CB 3.96Å; V448-I518 HydrophobicContact CG2-CG1 4.18Å; V448-I518 HydrophobicContact CG2-CG2 3.89Å; L451-I518 HydrophobicContact CD1-CD1 4.29Å; L451-I518 HydrophobicContact CD1-CG1 4.3Å; L451-I518 HydrophobicContact CD1-CG2 4.36Å; L514-I518 HydrophobicContact CD1-CD1 4.31Å; L514-I518 HydrophobicContact CD1-CG1 4.15Å; L514-I518 HydrophobicContact CG-CG1 4.35Å; L514-I518 WeakPolarHBondContact O-CG1 3.41Å; L514-I518 PolarHBondContact O-N 3.2Å; I518-A520 VanDerWaalsContact C-N 3.34Å; I518-A520 PolarHBondContact O-N 2.51Å; I518-N521 CarbonylContact O-C 3.6Å; I518-N521 VanDerWaalsContact O-C 3.25Å; I518-N521 WeakPolarHBondContact O-CA 3.42Å; I518-N521 PolarHBondContact O-N 3.35Å; I518-K522 PolarHBondContact O-N 2.99Å; I518-Y527 HydrophobicContact CD1-CD1 4.05Å; I518-Y527 HydrophobicContact CD1-CE1 3.32Å; I518-Y527 HydrophobicContact CG1-CE1 4.49Å; I518-Y527 HydrophobicContact CG2-CE1 4.4Å; I518-F538 HydrophobicContact CD1-CD2 4.31Å; I518-F538 HydrophobicContact CD1-CE2 4.46Å; I518-I541 HydrophobicContact CD1-CD1 4.4Å
519	N	95.5	Very high	93.7	Very high	56 Å²	56	34.9 Å²	34.9	30%	0.299	17%	0.172	S	C	.	.	H	α-helix	trans	-62.2	-38.3	-179.4	179.5	43.7	0	0	0	112.8	L330 T334 A515 N521 K522	L330-N519 HydrophobicContact CD1-CB 4.45Å; L330-N519 HydrophobicContact CD2-CB 4.21Å; L330-N519 WeakPolarHBondContact CD2-ND2 3.33Å; T334-N519 HydrophobicContact CG2-CB 3.8Å; A515-N519 WeakPolarHBondContact O-CB 3.49Å; A515-N519 PolarHBondContact O-N 3.49Å; N519-N521 PolarHBondContact O-N 3.41Å; N519-N521 VanDerWaalsContact O-N 3.16Å; N519-K522 PolarHBondContact O-N 3.17Å
520	A	93.6	Very high	93.6	Very high	47 Å²	47	31.1 Å²	31.1	39%	0.388	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-17.7	174.9	0	0	0	0	0	113.7	L494 Q516 I518	L494-A520 HydrophobicContact CD1-CB 4.44Å; Q516-A520 VanDerWaalsContact O-CB 3.25Å; Q516-A520 WeakPolarHBondContact O-CB 3.46Å; Q516-A520 PolarHBondContact O-N 2.86Å; I518-A520 VanDerWaalsContact C-N 3.34Å; I518-A520 PolarHBondContact O-N 2.51Å
521	N	92.9	Very high	93.6	Very high	18 Å²	18	29.2 Å²	29.2	10%	0.096	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124	21.3	-177.4	-69.9	-71.8	0	0	0	112.2	L517 I518 N519 G523 M524 Y527 F528	L517-N521 PolarHBondContact O-ND2 3.4Å; I518-N521 CarbonylContact O-C 3.6Å; I518-N521 VanDerWaalsContact O-C 3.25Å; I518-N521 WeakPolarHBondContact O-CA 3.42Å; I518-N521 PolarHBondContact O-N 3.35Å; N519-N521 PolarHBondContact O-N 3.41Å; N519-N521 VanDerWaalsContact O-N 3.16Å; N521-G523 PolarHBondContact O-N 3.18Å; N521-M524 WeakPolarHBondContact O-CB 3.44Å; N521-M524 PolarHBondContact O-N 2.9Å; N521-M524 VanDerWaalsContact O-N 3.11Å; N521-Y527 HydrophobicContact CB-CD1 3.59Å; N521-Y527 HydrophobicContact CB-CE1 4.28Å; N521-Y527 HydrophobicContact CB-CG 4.4Å; N521-F528 PolarHBondContact ND2-O 3.32Å; N521-F528 PolarHBondContact OD1-N 3.05Å; N521-F528 PolarHBondContact OD1-O 3.23Å
522	K	91.1	Very high	93.5	Very high	158 Å²	158	31 Å²	31	69%	0.687	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.4	133.5	-177.5	66.2	-175.3	-175.6	174.9	0	111.3	I518 N519	I518-K522 PolarHBondContact O-N 2.99Å; N519-K522 PolarHBondContact O-N 3.17Å
523	G	88.3	Confident	93.2	Very high	22 Å²	22	35 Å²	35	23%	0.227	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.6	-11.5	-179	0	0	0	0	0	115.5	S411 N521	S411-G523 WeakPolarHBondContact CB-O 3.43Å; S411-G523 PolarHBondContact OG-O 3.04Å; N521-G523 PolarHBondContact O-N 3.18Å
524	M	88.6	Confident	93	Very high	27 Å²	27	36.1 Å²	36.1	13%	0.133	20%	0.199	C	C	.	.			trans	-104	149	-176.8	-52.3	-61.3	-68.2	0	0	112.8	K410 N521 R526	K410-M524 HydrophobicContact CB-CE 4Å; K410-M524 HydrophobicContact CB-SD 4.02Å; N521-M524 WeakPolarHBondContact O-CB 3.44Å; N521-M524 PolarHBondContact O-N 2.9Å; N521-M524 VanDerWaalsContact O-N 3.11Å; M524-R526 WeakPolarHBondContact CB-O 3.25Å
525	T	89.9	Confident	92.7	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.018	21%	0.213	C	C	.	.	S	Bend	trans	-91.7	-14.8	162.6	50.8	0	0	0	0	113.2	Y337 V339 L377 E441 V443	Y337-T525 HydrophobicContact CD2-CG2 4.42Å; V339-T525 HydrophobicContact CG2-CG2 3.92Å; L377-T525 HydrophobicContact CD2-CG2 3.82Å; E441-T525 WeakPolarHBondContact OE2-CB 3.37Å; E441-T525 PolarHBondContact OE2-OG1 3.28Å; V443-T525 HydrophobicContact CG1-CG2 3.5Å; V443-T525 VanDerWaalsContact CG1-CG2 3.5Å
526	R	90.9	Very high	92.5	Very high	5 Å²	5	39.7 Å²	39.7	2%	0.019	21%	0.213	C	C	.	.	S	Bend	trans	-108	110	169.1	-63.7	-61.4	-178.7	-77	-12	109.6	E346 W381 E441 M524 Y535	E346-R526 IonicContact OE2-CZ 2.67Å; E346-R526 VanDerWaalsContact OE2-CZ 3.26Å; E346-R526 IonicContact OE2-NE 2.69Å; E346-R526 PolarHBondContact OE2-NE 2.96Å; E346-R526 IonicContact OE2-NH2 3.61Å; E346-R526 PolarHBondContact OE2-NH2 3.34Å; W381-R526 HydrophobicContact CD2-CB 4.25Å; W381-R526 HydrophobicContact CD2-CG 4.26Å; W381-R526 HydrophobicContact CE3-CB 4.35Å; W381-R526 HydrophobicContact CE3-CG 4.17Å; W381-R526 HydrophobicContact CH2-CG 3.59Å; W381-R526 HydrophobicContact CZ2-CB 4.43Å; W381-R526 HydrophobicContact CZ2-CG 3.65Å; W381-R526 HydrophobicContact CZ3-CB 4.5Å; W381-R526 HydrophobicContact CZ3-CG 3.84Å; E441-R526 VanDerWaalsContact CD-NH1 3.25Å; E441-R526 IonicContact OE1-CZ 2.93Å; E441-R526 IonicContact OE1-NH1 3.32Å; E441-R526 PolarHBondContact OE1-NH1 3.28Å; E441-R526 IonicContact OE1-NH2 3.02Å; E441-R526 PolarHBondContact OE1-NH2 3.19Å; E441-R526 IonicContact OE2-CZ 2.76Å; E441-R526 IonicContact OE2-NH1 3.12Å; E441-R526 PolarHBondContact OE2-NH1 3.28Å; E441-R526 IonicContact OE2-NH2 2.7Å; M524-R526 WeakPolarHBondContact CB-O 3.25Å; R526-Y535 HydrophobicContact CB-CD1 4.22Å
527	Y	92.9	Very high	92.3	Very high	1 Å²	1	40.9 Å²	40.9	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	133.2	179.7	-59.3	-90.3	0	0	0	108.9	I518 N521 Y535 F536 F538	I518-Y527 HydrophobicContact CD1-CD1 4.05Å; I518-Y527 HydrophobicContact CD1-CE1 3.32Å; I518-Y527 HydrophobicContact CG1-CE1 4.49Å; I518-Y527 HydrophobicContact CG2-CE1 4.4Å; N521-Y527 HydrophobicContact CB-CD1 3.59Å; N521-Y527 HydrophobicContact CB-CE1 4.28Å; N521-Y527 HydrophobicContact CB-CG 4.4Å; Y527-Y535 CarbonylContact O-C 3.53Å; Y527-Y535 VanDerWaalsContact O-CA 3.3Å; Y527-Y535 WeakPolarHBondContact O-CA 3.45Å; Y527-F536 VanDerWaalsContact CB-CE2 3.46Å; Y527-F536 HydrophobicContact CD2-CE2 4.43Å; Y527-F536 HydrophobicContact CG-CE2 4.08Å; Y527-F536 HydrophobicContact CG-CZ 4.27Å; Y527-F536 PolarHBondContact N-O 3.48Å; Y527-F536 WeakPolarHBondContact O-CD1 3.4Å; Y527-F536 VanDerWaalsContact O-CE1 3.27Å; Y527-F536 WeakPolarHBondContact O-CE1 3.5Å; Y527-F536 PolarHBondContact O-N 3.34Å; Y527-F538 HydrophobicContact CE2-CB 3.94Å
528	F	92.9	Very high	92.2	Very high	39 Å²	39	41 Å²	41	17%	0.171	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	123.7	176.2	-179.3	-111.2	0	0	0	111	N521 Q530 N533 Y535	N521-F528 PolarHBondContact ND2-O 3.32Å; N521-F528 PolarHBondContact OD1-N 3.05Å; N521-F528 PolarHBondContact OD1-O 3.23Å; F528-Q530 HydrophobicContact CD1-CG 4.02Å; F528-Q530 HydrophobicContact CE1-CG 4.06Å; F528-Q530 PolarHBondContact O-N 2.89Å; F528-N533 HydrophobicContact CE2-CB 4.22Å; F528-N533 HydrophobicContact CZ-CB 4.06Å; F528-Y535 HydrophobicContact CB-CD1 4.05Å; F528-Y535 HydrophobicContact CB-CE1 3.74Å; F528-Y535 HydrophobicContact CD2-CD1 4.12Å; F528-Y535 AromaticContact CD2-CD2 3.94Å; F528-Y535 HydrophobicContact CD2-CD2 3.94Å; F528-Y535 AromaticContact CD2-CE1 3.78Å; F528-Y535 HydrophobicContact CD2-CE1 3.78Å; F528-Y535 AromaticContact CD2-CE2 3.56Å; F528-Y535 HydrophobicContact CD2-CE2 3.56Å; F528-Y535 HydrophobicContact CD2-CG 4.2Å; F528-Y535 AromaticContact CD2-CZ 3.48Å; F528-Y535 VanDerWaalsContact CD2-CZ 3.48Å; F528-Y535 HydrophobicContact CE2-CD2 4.45Å; F528-Y535 AromaticContact CE2-CE2 3.95Å; F528-Y535 HydrophobicContact CE2-CE2 3.95Å; F528-Y535 HydrophobicContact CG-CE1 4.12Å
529	C	93.8	Very high	92	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.007	24%	0.237	C	C	.	.			trans	-90.2	101.6	176.3	-174.7	0	0	0	0	110.5	H505 T531 C532 N533 A534 F536	H505-C529 WeakPolarHBondContact NE2-CB 3.28Å; C529-T531 PolarHBondContact O-N 2.91Å; C529-C532 VanDerWaalsContact CB-SG 3.57Å; C529-C532 PolarHBondContact O-N 3.45Å; C529-C532 PolarHBondContact SG-SG 2.9Å; C529-N533 VanDerWaalsContact O-CA 3.24Å; C529-N533 WeakPolarHBondContact O-CA 3.45Å; C529-N533 PolarHBondContact O-N 3.29Å; C529-A534 PolarHBondContact N-O 3.46Å; C529-F536 HydrophobicContact CB-CD1 4.18Å; C529-F536 HydrophobicContact CB-CE1 3.71Å
530	Q	90.7	Very high	91.9	Very high	124 Å²	124	44.1 Å²	44.1	58%	0.579	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-11.9	178.8	-60.7	-177	9.5	0	0	114.7	F528	F528-Q530 HydrophobicContact CD1-CG 4.02Å; F528-Q530 HydrophobicContact CE1-CG 4.06Å; F528-Q530 PolarHBondContact O-N 2.89Å
531	T	92.8	Very high	91.9	Very high	61 Å²	61	42.3 Å²	42.3	37%	0.374	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-37.4	-178	-47.8	0	0	0	0	114.1	K510 C529	K510-T531 HydrophobicContact CB-CG2 4.34Å; K510-T531 HydrophobicContact CG-CG2 3.61Å; C529-T531 PolarHBondContact O-N 2.91Å
532	C	93.1	Very high	91.9	Very high	58 Å²	58	44 Å²	44	39%	0.392	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-7.1	174.4	59	0	0	0	0	113.6	H505 C529 A534	H505-C532 PolarHBondContact NE2-SG 2.93Å; C529-C532 VanDerWaalsContact CB-SG 3.57Å; C529-C532 PolarHBondContact O-N 3.45Å; C529-C532 PolarHBondContact SG-SG 2.9Å; C532-A534 PolarHBondContact O-N 3.43Å
533	N	91.6	Very high	92.1	Very high	84 Å²	84	36.6 Å²	36.6	45%	0.449	20%	0.195	S	C	.	.			trans	62.5	23.4	-175	-50.8	-67.7	0	0	0	114.9	K385 F528 C529	K385-N533 VanDerWaalsContact CE-OD1 3.24Å; K385-N533 WeakPolarHBondContact CE-OD1 3.43Å; K385-N533 PolarHBondContact NZ-OD1 2.92Å; F528-N533 HydrophobicContact CE2-CB 4.22Å; F528-N533 HydrophobicContact CZ-CB 4.06Å; C529-N533 VanDerWaalsContact O-CA 3.24Å; C529-N533 WeakPolarHBondContact O-CA 3.45Å; C529-N533 PolarHBondContact O-N 3.29Å
534	A	91.4	Very high	92.4	Very high	23 Å²	23	35.5 Å²	35.5	19%	0.19	19%	0.185	C	C	.	.			trans	-89.2	154.7	173	0	0	0	0	0	112.1	C529 C532	C529-A534 PolarHBondContact N-O 3.46Å; C532-A534 PolarHBondContact O-N 3.43Å
535	Y	91.8	Very high	92.6	Very high	72 Å²	72	35 Å²	35	28%	0.282	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	145.1	163.5	-71.2	-92.6	0	0	0	109.7	W381 P382 R526 Y527 F528	W381-Y535 HydrophobicContact CB-CD1 4.46Å; W381-Y535 HydrophobicContact CB-CE1 3.73Å; W381-Y535 AromaticContact CD1-CD1 3.55Å; W381-Y535 AromaticContact CD1-CD2 3.74Å; W381-Y535 AromaticContact CD1-CE1 3.5Å; W381-Y535 VanDerWaalsContact CD1-CE1 3.5Å; W381-Y535 AromaticContact CD1-CE2 3.7Å; W381-Y535 AromaticContact CD1-CG 3.66Å; W381-Y535 AromaticContact CD1-CZ 3.58Å; W381-Y535 HydrophobicContact CG-CD1 4.01Å; W381-Y535 AromaticContact CG-CE1 3.74Å; W381-Y535 HydrophobicContact CG-CE1 3.74Å; W381-Y535 AromaticContact NE1-CG 3.88Å; P382-Y535 WeakPolarHBondContact CD-OH 3.07Å; P382-Y535 WeakPolarHBondContact O-CE2 3.31Å; P382-Y535 PolarHBondContact O-OH 3.15Å; R526-Y535 HydrophobicContact CB-CD1 4.22Å; Y527-Y535 CarbonylContact O-C 3.53Å; Y527-Y535 VanDerWaalsContact O-CA 3.3Å; Y527-Y535 WeakPolarHBondContact O-CA 3.45Å; F528-Y535 HydrophobicContact CB-CD1 4.05Å; F528-Y535 HydrophobicContact CB-CE1 3.74Å; F528-Y535 HydrophobicContact CD2-CD1 4.12Å; F528-Y535 AromaticContact CD2-CD2 3.94Å; F528-Y535 HydrophobicContact CD2-CD2 3.94Å; F528-Y535 AromaticContact CD2-CE1 3.78Å; F528-Y535 HydrophobicContact CD2-CE1 3.78Å; F528-Y535 AromaticContact CD2-CE2 3.56Å; F528-Y535 HydrophobicContact CD2-CE2 3.56Å; F528-Y535 HydrophobicContact CD2-CG 4.2Å; F528-Y535 AromaticContact CD2-CZ 3.48Å; F528-Y535 VanDerWaalsContact CD2-CZ 3.48Å; F528-Y535 HydrophobicContact CE2-CD2 4.45Å; F528-Y535 AromaticContact CE2-CE2 3.95Å; F528-Y535 HydrophobicContact CE2-CE2 3.95Å; F528-Y535 HydrophobicContact CG-CE1 4.12Å
536	F	92.7	Very high	92.8	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.018	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	155.7	-177.5	60.6	-80	0	0	0	111	H505 L517 Y527 C529 D540 I541	H505-F536 HydrophobicContact CB-CB 4.08Å; H505-F536 HydrophobicContact CB-CD1 4.22Å; H505-F536 HydrophobicContact CB-CD2 3.47Å; H505-F536 VanDerWaalsContact CB-CD2 3.47Å; H505-F536 HydrophobicContact CB-CE2 3.92Å; H505-F536 HydrophobicContact CB-CG 3.66Å; H505-F536 HydrophobicContact CB-CZ 4.47Å; H505-F536 AromaticContact CD2-CD1 3.59Å; H505-F536 AromaticContact CD2-CE1 3.67Å; H505-F536 AromaticContact CD2-CG 3.96Å; H505-F536 AromaticContact CG-CD1 3.84Å; H505-F536 AromaticContact CG-CG 3.73Å; L517-F536 HydrophobicContact CD1-CZ 4.07Å; L517-F536 HydrophobicContact CD2-CE2 4.18Å; L517-F536 HydrophobicContact CD2-CZ 4Å; L517-F536 HydrophobicContact CG-CZ 4.18Å; Y527-F536 VanDerWaalsContact CB-CE2 3.46Å; Y527-F536 HydrophobicContact CD2-CE2 4.43Å; Y527-F536 HydrophobicContact CG-CE2 4.08Å; Y527-F536 HydrophobicContact CG-CZ 4.27Å; Y527-F536 PolarHBondContact N-O 3.48Å; Y527-F536 WeakPolarHBondContact O-CD1 3.4Å; Y527-F536 VanDerWaalsContact O-CE1 3.27Å; Y527-F536 WeakPolarHBondContact O-CE1 3.5Å; Y527-F536 PolarHBondContact O-N 3.34Å; C529-F536 HydrophobicContact CB-CD1 4.18Å; C529-F536 HydrophobicContact CB-CE1 3.71Å; F536-D540 WeakPolarHBondContact CA-OD2 3.41Å; F536-D540 HydrophobicContact CB-CB 3.96Å; F536-D540 WeakPolarHBondContact CB-OD2 3.28Å; F536-D540 HydrophobicContact CD2-CB 4.37Å; F536-I541 HydrophobicContact CD2-CG1 3.99Å; F536-I541 HydrophobicContact CE2-CD1 3.92Å; F536-I541 HydrophobicContact CE2-CG1 3.71Å
537	K	92.3	Very high	93	Very high	51 Å²	51	35 Å²	35	22%	0.222	18%	0.181	C	C	.	.			trans	-82.1	176	173.7	-60.2	-157.8	-177.6	-153.8	0	111.2	E342 E441 E539 D540	E342-K537 IonicContact OE1-NZ 3.75Å; E342-K537 PolarHBondContact OE1-NZ 2.87Å; E441-K537 IonicContact OE1-NZ 3.09Å; K537-E539 VanDerWaalsContact C-N 3.25Å; K537-E539 PolarHBondContact O-N 3.05Å; K537-D540 PolarHBondContact N-OD2 3.14Å
538	F	93.8	Very high	92.9	Very high	5 Å²	5	35.8 Å²	35.8	2%	0.022	19%	0.185	C	C	.	.	S	Bend	trans	-66.9	-32.3	171.9	-179.3	-103.4	0	0	0	111.6	I338 L451 I454 L455 I518 Y527 D540 I541	I338-F538 HydrophobicContact CD1-CD1 3.39Å; I338-F538 HydrophobicContact CD1-CE1 3.56Å; I338-F538 HydrophobicContact CD1-CG 4.14Å; I338-F538 HydrophobicContact CD1-CZ 4.42Å; L451-F538 HydrophobicContact CB-CE2 3.88Å; L451-F538 HydrophobicContact CB-CZ 3.86Å; L451-F538 HydrophobicContact CD1-CE2 4.37Å; L451-F538 HydrophobicContact CD2-CD2 4.31Å; L451-F538 HydrophobicContact CD2-CE1 4.19Å; L451-F538 HydrophobicContact CD2-CE2 3.92Å; L451-F538 HydrophobicContact CD2-CZ 3.86Å; L451-F538 HydrophobicContact CG-CE2 4.27Å; L451-F538 HydrophobicContact CG-CZ 4.41Å; L451-F538 WeakPolarHBondContact O-CZ 3.29Å; I454-F538 HydrophobicContact CB-CE1 4.48Å; I454-F538 HydrophobicContact CG2-CE1 4.01Å; L455-F538 HydrophobicContact CB-CZ 4.27Å; I518-F538 HydrophobicContact CD1-CD2 4.31Å; I518-F538 HydrophobicContact CD1-CE2 4.46Å; Y527-F538 HydrophobicContact CE2-CB 3.94Å; F538-D540 PolarHBondContact O-N 2.91Å; F538-I541 HydrophobicContact CD2-CD1 3.79Å; F538-I541 HydrophobicContact CE2-CD1 4.2Å; F538-I541 VanDerWaalsContact O-CB 3.31Å; F538-I541 WeakPolarHBondContact O-CB 3.12Å; F538-I541 WeakPolarHBondContact O-CG1 3.47Å; F538-I541 PolarHBondContact O-N 3.12Å; F538-I541 VanDerWaalsContact O-N 3.13Å
539	E	91.3	Very high	92.8	Very high	84 Å²	84	36.9 Å²	36.9	39%	0.393	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-28.4	-177.7	-71.2	47.9	-110.6	0	0	112.5	K458 K537 I541	K458-E539 IonicContact NZ-OE1 3.87Å; K458-E539 PolarHBondContact NZ-OE1 2.95Å; K537-E539 VanDerWaalsContact C-N 3.25Å; K537-E539 PolarHBondContact O-N 3.05Å; E539-I541 PolarHBondContact O-N 2.8Å
540	D	93.4	Very high	92.5	Very high	40 Å²	40	39.6 Å²	39.6	21%	0.214	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-14.8	178.5	-66	-37.4	0	0	0	113.1	H505 H506 F536 K537 F538	H505-D540 CarbonylContact C-O 3.56Å; H505-D540 WeakPolarHBondContact CA-O 3.49Å; H505-D540 HydrophobicContact CB-CB 4.23Å; H506-D540 WeakPolarHBondContact CE1-CA 3.46Å; H506-D540 WeakPolarHBondContact CE1-CB 3.36Å; H506-D540 PolarHBondContact CE1-O 3.39Å; H506-D540 IonicContact CE1-OD1 2.67Å; H506-D540 PolarHBondContact CE1-OD1 3.18Å; H506-D540 PolarHBondContact N-O 2.69Å; H506-D540 WeakPolarHBondContact ND1-CB 3.46Å; H506-D540 IonicContact ND1-OD1 3.22Å; H506-D540 WeakPolarHBondContact NE2-CB 3.5Å; H506-D540 IonicContact NE2-OD1 2.89Å; H506-D540 PolarHBondContact NE2-OD1 3.19Å; H506-D540 IonicContact NE2-OD2 2.73Å; H506-D540 PolarHBondContact NE2-OD2 2.69Å; F536-D540 WeakPolarHBondContact CA-OD2 3.41Å; F536-D540 HydrophobicContact CB-CB 3.96Å; F536-D540 WeakPolarHBondContact CB-OD2 3.28Å; F536-D540 HydrophobicContact CD2-CB 4.37Å; K537-D540 PolarHBondContact N-OD2 3.14Å; F538-D540 PolarHBondContact O-N 2.91Å
541	I	94.9	Very high	92.3	Very high	8 Å²	8	34.3 Å²	34.3	4%	0.041	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	134.2	-177.2	-54.7	178.5	0	0	0	109.8	L455 A503 L514 L517 I518 F536 F538 E539	L455-I541 HydrophobicContact CD1-CB 4.2Å; L455-I541 HydrophobicContact CD1-CG2 3.95Å; L455-I541 WeakPolarHBondContact CD1-O 3.26Å; L455-I541 HydrophobicContact CD2-CG2 4.06Å; A503-I541 HydrophobicContact CB-CG2 3.96Å; L514-I541 HydrophobicContact CD1-CD1 4.43Å; L514-I541 HydrophobicContact CD1-CG2 4.24Å; L517-I541 HydrophobicContact CD2-CD1 4.36Å; I518-I541 HydrophobicContact CD1-CD1 4.4Å; F536-I541 HydrophobicContact CD2-CG1 3.99Å; F536-I541 HydrophobicContact CE2-CD1 3.92Å; F536-I541 HydrophobicContact CE2-CG1 3.71Å; F538-I541 HydrophobicContact CD2-CD1 3.79Å; F538-I541 HydrophobicContact CE2-CD1 4.2Å; F538-I541 VanDerWaalsContact O-CB 3.31Å; F538-I541 WeakPolarHBondContact O-CB 3.12Å; F538-I541 WeakPolarHBondContact O-CG1 3.47Å; F538-I541 PolarHBondContact O-N 3.12Å; F538-I541 VanDerWaalsContact O-N 3.13Å; E539-I541 PolarHBondContact O-N 2.8Å
542	T	93.1	Very high	91.6	Very high	54 Å²	54	36.2 Å²	36.2	33%	0.331	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	142.5	175.9	59.6	0	0	0	0	109.7	A503 K504	A503-T542 CarbonylContact C-O 3.52Å; A503-T542 VanDerWaalsContact CA-O 3.26Å; A503-T542 WeakPolarHBondContact CA-O 3.36Å; K504-T542 PolarHBondContact N-O 2.91Å; K504-T542 PolarHBondContact O-N 3.41Å; K504-T542 PolarHBondContact O-OG1 3.45Å
543	A	94.4	Very high	91.1	Very high	2 Å²	2	37 Å²	37	2%	0.017	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	144.7	170.8	0	0	0	0	0	110.9	L455 Q470 P502 Y545	L455-A543 HydrophobicContact CD2-CB 4.33Å; L455-A543 HydrophobicContact CG-CB 4.4Å; Q470-A543 PolarHBondContact NE2-O 2.83Å; P502-A543 WeakPolarHBondContact O-CA 3.23Å; A543-Y545 HydrophobicContact CB-CD2 4.32Å; A543-Y545 HydrophobicContact CB-CE1 4.48Å; A543-Y545 HydrophobicContact CB-CE2 3.96Å; A543-Y545 WeakPolarHBondContact O-CD2 3.39Å; A543-Y545 PolarHBondContact O-N 2.84Å
544	D	94.6	Very high	90.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.172	C	C	.	.			trans	-89.4	80.9	169.1	-150.8	-80.7	0	0	0	109	Q470 Y474 P502 K504 I511 F546 L547 L548	Q470-D544 VanDerWaalsContact OE1-C 3.28Å; Y474-D544 PolarHBondContact OH-OD2 3.16Å; P502-D544 HydrophobicContact CB-CB 4.2Å; P502-D544 HydrophobicContact CG-CB 4.27Å; P502-D544 WeakPolarHBondContact CG-O 3.33Å; P502-D544 PolarHBondContact O-N 3.5Å; K504-D544 IonicContact NZ-OD2 3.75Å; K504-D544 PolarHBondContact NZ-OD2 2.88Å; I511-D544 HydrophobicContact CD1-CB 4.06Å; I511-D544 WeakPolarHBondContact CD1-OD2 3.37Å; D544-F546 PolarHBondContact O-N 3.3Å; D544-L547 HydrophobicContact CB-CB 4.32Å; D544-L547 HydrophobicContact CB-CD1 4.45Å; D544-L547 PolarHBondContact O-N 3.37Å; D544-L547 WeakPolarHBondContact OD1-CG 3.33Å; D544-L547 PolarHBondContact OD1-N 3.17Å; D544-L548 WeakPolarHBondContact O-CB 3.47Å; D544-L548 PolarHBondContact O-N 2.75Å
545	Y	93.5	Very high	90.4	Very high	15 Å²	15	35.6 Å²	35.6	6%	0.059	18%	0.184	C	C	.	.	H	α-helix	trans	-54	-33.5	178.9	-68.5	-80.7	0	0	0	112.7	I456 R459 L466 A543 L548 N549	I456-Y545 WeakPolarHBondContact CA-OH 3.46Å; I456-Y545 HydrophobicContact CG2-CE1 4.44Å; I456-Y545 PolarHBondContact O-OH 2.89Å; R459-Y545 HydrophobicContact CB-CE2 4.34Å; L466-Y545 HydrophobicContact CB-CD2 3.87Å; L466-Y545 HydrophobicContact CD1-CD2 4.02Å; L466-Y545 HydrophobicContact CD1-CE2 3.8Å; A543-Y545 HydrophobicContact CB-CD2 4.32Å; A543-Y545 HydrophobicContact CB-CE1 4.48Å; A543-Y545 HydrophobicContact CB-CE2 3.96Å; A543-Y545 WeakPolarHBondContact O-CD2 3.39Å; A543-Y545 PolarHBondContact O-N 2.84Å; Y545-L548 HydrophobicContact CD1-CD2 4.3Å; Y545-L548 PolarHBondContact O-N 3.41Å; Y545-N549 VanDerWaalsContact O-CG 3.24Å; Y545-N549 PolarHBondContact O-N 3.28Å; Y545-N549 PolarHBondContact O-OD1 3.07Å
546	F	93.9	Very high	89.8	Confident	9 Å²	9	34.5 Å²	34.5	4%	0.039	19%	0.19	C	C	.	.	H	α-helix	trans	-57.8	-55.3	171.8	174.3	-101.9	0	0	0	111.2	Q470 K471 Y474 D544 L548 N549 F550 L561 V563 V569	Q470-F546 HydrophobicContact CB-CB 3.73Å; K471-F546 HydrophobicContact CB-CD2 3.57Å; K471-F546 HydrophobicContact CB-CE2 3.72Å; K471-F546 HydrophobicContact CB-CG 4.37Å; K471-F546 HydrophobicContact CD-CE2 4.03Å; K471-F546 HydrophobicContact CG-CD2 4.04Å; K471-F546 HydrophobicContact CG-CE2 3.63Å; K471-F546 HydrophobicContact CG-CZ 4.39Å; Y474-F546 AromaticContact CD2-CD1 3.53Å; Y474-F546 HydrophobicContact CD2-CD1 3.53Å; Y474-F546 AromaticContact CD2-CE1 3.73Å; Y474-F546 HydrophobicContact CD2-CE1 3.73Å; Y474-F546 HydrophobicContact CD2-CG 4.27Å; Y474-F546 AromaticContact CE2-CD1 3.49Å; Y474-F546 HydrophobicContact CE2-CD1 3.49Å; Y474-F546 VanDerWaalsContact CE2-CD1 3.49Å; Y474-F546 HydrophobicContact CE2-CE1 4.04Å; Y474-F546 HydrophobicContact CE2-CG 4.29Å; D544-F546 PolarHBondContact O-N 3.3Å; F546-L548 PolarHBondContact O-N 2.91Å; F546-N549 PolarHBondContact O-N 2.89Å; F546-F550 HydrophobicContact CD2-CE2 4.06Å; F546-F550 HydrophobicContact CE2-CD2 4.32Å; F546-F550 AromaticContact CE2-CE2 3.55Å; F546-F550 HydrophobicContact CE2-CE2 3.55Å; F546-F550 HydrophobicContact CE2-CZ 4.42Å; F546-F550 HydrophobicContact CZ-CD2 4.31Å; F546-F550 AromaticContact CZ-CE2 3.82Å; F546-F550 HydrophobicContact CZ-CE2 3.82Å; F546-F550 VanDerWaalsContact O-CD2 3.26Å; F546-F550 WeakPolarHBondContact O-CD2 3.37Å; F546-L561 HydrophobicContact CE1-CD1 4.36Å; F546-V563 HydrophobicContact CE1-CG2 3.95Å; F546-V563 HydrophobicContact CZ-CG2 3.79Å; F546-V569 HydrophobicContact CE2-CG2 4.13Å; F546-V569 HydrophobicContact CZ-CG1 4.1Å; F546-V569 HydrophobicContact CZ-CG2 3.94Å
547	L	94.2	Very high	89.3	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-66.8	-35.1	178.5	-70.6	-179.3	0	0	0	113.2	V488 L490 M499 P502 I511 D544 N549 F550 L551 L561	V488-L547 HydrophobicContact CB-CD2 4.32Å; V488-L547 HydrophobicContact CG1-CD1 3.89Å; V488-L547 HydrophobicContact CG1-CD2 3.78Å; V488-L547 HydrophobicContact CG1-CG 4.27Å; L490-L547 HydrophobicContact CD2-CD2 4.13Å; M499-L547 HydrophobicContact CE-CD1 4.26Å; P502-L547 HydrophobicContact CB-CB 4.09Å; P502-L547 HydrophobicContact CB-CD1 4.36Å; P502-L547 HydrophobicContact CG-CB 3.79Å; I511-L547 HydrophobicContact CD1-CD1 3.79Å; D544-L547 HydrophobicContact CB-CB 4.32Å; D544-L547 HydrophobicContact CB-CD1 4.45Å; D544-L547 PolarHBondContact O-N 3.37Å; D544-L547 WeakPolarHBondContact OD1-CG 3.33Å; D544-L547 PolarHBondContact OD1-N 3.17Å; L547-N549 VanDerWaalsContact C-N 3.28Å; L547-N549 PolarHBondContact O-N 3.4Å; L547-F550 PolarHBondContact O-N 2.85Å; L547-F550 VanDerWaalsContact O-N 3.1Å; L547-L551 WeakPolarHBondContact O-CG 3.24Å; L547-L551 PolarHBondContact O-N 3.29Å; L547-L551 VanDerWaalsContact O-N 3.08Å; L547-L561 HydrophobicContact CD2-CD1 3.85Å
548	L	91.5	Very high	89.2	Confident	17 Å²	17	33.5 Å²	33.5	9%	0.089	20%	0.195	C	C	.	.	H	α-helix	trans	-56.6	-42.8	178.8	-174.8	64.2	0	0	0	111.5	I456 P502 D544 Y545 F546 F550 L551	I456-L548 HydrophobicContact CD1-CD2 4.32Å; P502-L548 HydrophobicContact CG-CB 4.21Å; D544-L548 WeakPolarHBondContact O-CB 3.47Å; D544-L548 PolarHBondContact O-N 2.75Å; Y545-L548 HydrophobicContact CD1-CD2 4.3Å; Y545-L548 PolarHBondContact O-N 3.41Å; F546-L548 PolarHBondContact O-N 2.91Å; L548-F550 PolarHBondContact O-N 3.34Å; L548-L551 PolarHBondContact O-N 2.95Å
549	N	89.8	Confident	89.1	Confident	63 Å²	63	35.2 Å²	35.2	34%	0.337	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-19.4	179.4	-68.4	1.1	0	0	0	114	Y545 F546 L547	Y545-N549 VanDerWaalsContact O-CG 3.24Å; Y545-N549 PolarHBondContact O-N 3.28Å; Y545-N549 PolarHBondContact O-OD1 3.07Å; F546-N549 PolarHBondContact O-N 2.89Å; L547-N549 VanDerWaalsContact C-N 3.28Å; L547-N549 PolarHBondContact O-N 3.4Å
550	F	87.8	Confident	89.2	Confident	58 Å²	58	34.1 Å²	34.1	25%	0.254	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-18.4	179	-71.9	-77.9	0	0	0	114.4	F546 L547 L548 Q552 S553 I554 L561 V569	F546-F550 HydrophobicContact CD2-CE2 4.06Å; F546-F550 HydrophobicContact CE2-CD2 4.32Å; F546-F550 AromaticContact CE2-CE2 3.55Å; F546-F550 HydrophobicContact CE2-CE2 3.55Å; F546-F550 HydrophobicContact CE2-CZ 4.42Å; F546-F550 HydrophobicContact CZ-CD2 4.31Å; F546-F550 AromaticContact CZ-CE2 3.82Å; F546-F550 HydrophobicContact CZ-CE2 3.82Å; F546-F550 VanDerWaalsContact O-CD2 3.26Å; F546-F550 WeakPolarHBondContact O-CD2 3.37Å; L547-F550 PolarHBondContact O-N 2.85Å; L547-F550 VanDerWaalsContact O-N 3.1Å; L548-F550 PolarHBondContact O-N 3.34Å; F550-Q552 PolarHBondContact O-N 3.27Å; F550-Q552 VanDerWaalsContact O-N 3.14Å; F550-S553 PolarHBondContact O-N 3.1Å; F550-S553 PolarHBondContact O-OG 2.67Å; F550-I554 HydrophobicContact CB-CD1 3.83Å; F550-I554 HydrophobicContact CB-CG1 4.42Å; F550-I554 WeakPolarHBondContact O-CG1 3.44Å; F550-I554 PolarHBondContact O-N 3.36Å; F550-L561 HydrophobicContact CB-CD1 3.69Å; F550-L561 HydrophobicContact CD1-CD1 4.44Å; F550-L561 HydrophobicContact CD1-CD2 4.46Å; F550-L561 HydrophobicContact CD2-CD1 3.77Å; F550-L561 HydrophobicContact CG-CD1 3.72Å; F550-V569 HydrophobicContact CE1-CG1 4.05Å; F550-V569 HydrophobicContact CE2-CG1 4.13Å; F550-V569 HydrophobicContact CZ-CB 4.18Å; F550-V569 HydrophobicContact CZ-CG1 3.74Å
551	L	86	Confident	89.3	Confident	12 Å²	12	32.2 Å²	32.2	6%	0.063	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-19.8	-173.5	-86.5	168.9	0	0	0	114.3	L490 R498 M499 P502 L547 L548	L490-L551 HydrophobicContact CB-CD2 3.95Å; L490-L551 HydrophobicContact CD2-CD2 4.01Å; L490-L551 HydrophobicContact CG-CD2 4.43Å; R498-L551 HydrophobicContact CG-CD2 4.11Å; R498-L551 PolarHBondContact NH2-O 2.91Å; M499-L551 HydrophobicContact CB-CD1 4.1Å; P502-L551 HydrophobicContact CB-CD1 4.19Å; P502-L551 HydrophobicContact CG-CD1 3.66Å; L547-L551 WeakPolarHBondContact O-CG 3.24Å; L547-L551 PolarHBondContact O-N 3.29Å; L547-L551 VanDerWaalsContact O-N 3.08Å; L548-L551 PolarHBondContact O-N 2.95Å
552	Q	78.9	Confident	89.3	Confident	101 Å²	101	32.8 Å²	32.8	47%	0.472	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-37.1	175.5	-63.6	-169.7	18.9	0	0	113.3	P321 F550	P321-Q552 HydrophobicContact CB-CB 4.01Å; P321-Q552 HydrophobicContact CB-CG 4.11Å; F550-Q552 PolarHBondContact O-N 3.27Å; F550-Q552 VanDerWaalsContact O-N 3.14Å
553	S	81.8	Confident	89.5	Confident	76 Å²	76	30.2 Å²	30.2	53%	0.531	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-21.1	-173.4	53.2	0	0	0	0	114.5	F550	F550-S553 PolarHBondContact O-N 3.1Å; F550-S553 PolarHBondContact O-OG 2.67Å
554	I	85.3	Confident	89.5	Confident	7 Å²	7	32.2 Å²	32.2	4%	0.036	19%	0.187	C	C	.	.	S	Bend	trans	-82.4	133.9	-178.3	-68	176.1	0	0	0	111.4	L490 R498 F550 V558 L561	L490-I554 HydrophobicContact CD1-CB 4.28Å; L490-I554 HydrophobicContact CD1-CD1 3.79Å; L490-I554 HydrophobicContact CD1-CG2 3.79Å; L490-I554 HydrophobicContact CD2-CD1 4.48Å; R498-I554 PolarHBondContact NH1-O 2.89Å; R498-I554 PolarHBondContact NH2-O 3.22Å; F550-I554 HydrophobicContact CB-CD1 3.83Å; F550-I554 HydrophobicContact CB-CG1 4.42Å; F550-I554 WeakPolarHBondContact O-CG1 3.44Å; F550-I554 PolarHBondContact O-N 3.36Å; I554-V558 HydrophobicContact CG2-CB 3.52Å; I554-V558 HydrophobicContact CG2-CG1 3.64Å; I554-V558 HydrophobicContact CG2-CG2 4.28Å; I554-L561 HydrophobicContact CD1-CD1 4.04Å; I554-L561 HydrophobicContact CD1-CD2 3.52Å; I554-L561 HydrophobicContact CD1-CG 3.54Å
555	P	83.7	Confident	89.5	Confident	69 Å²	69	37.9 Å²	37.9	45%	0.448	21%	0.211	S	C	.	.			trans	-60.2	156.3	176.9	-26.8	36	0	0	0	114.8	R498 G557 V558	R498-P555 PolarHBondContact NH1-O 2.82Å; P555-G557 PolarHBondContact O-N 3.1Å; P555-V558 PolarHBondContact O-N 3.35Å
556	A	79.2	Confident	89.5	Confident	50 Å²	50	41.4 Å²	41.4	41%	0.413	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-27.8	-176.6	0	0	0	0	0	115.2	Y322	Y322-A556 HydrophobicContact CD1-CB 3.44Å; Y322-A556 VanDerWaalsContact CD1-CB 3.44Å; Y322-A556 HydrophobicContact CD2-CB 3.78Å; Y322-A556 HydrophobicContact CE1-CB 3.84Å; Y322-A556 HydrophobicContact CE2-CB 4.15Å; Y322-A556 HydrophobicContact CG-CB 3.41Å; Y322-A556 VanDerWaalsContact CG-CB 3.41Å
557	G	83.1	Confident	89.3	Confident	30 Å²	30	41.6 Å²	41.6	31%	0.309	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	0.6	-178.9	0	0	0	0	0	115.2	P555 E575	P555-G557 PolarHBondContact O-N 3.1Å; G557-E575 PolarHBondContact O-N 3.37Å
558	V	89.5	Confident	89.2	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.024	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-101.3	122.8	174.4	175.7	0	0	0	0	108.7	R498 I554 P555 D560 V574	R498-V558 PolarHBondContact NH1-O 3.48Å; I554-V558 HydrophobicContact CG2-CB 3.52Å; I554-V558 HydrophobicContact CG2-CG1 3.64Å; I554-V558 HydrophobicContact CG2-CG2 4.28Å; P555-V558 PolarHBondContact O-N 3.35Å; V558-D560 VanDerWaalsContact CG1-O 3.26Å; V558-D560 WeakPolarHBondContact CG1-O 3.31Å; V558-V574 HydrophobicContact CG2-CG2 3.84Å
559	N	91.6	Very high	89.3	Confident	41 Å²	41	45.9 Å²	45.9	22%	0.219	27%	0.266	C	S	.	.			trans	-96.2	-24.1	-176.9	-73.4	-54.4	0	0	0	113.9	S489 L490 N491 E575	S489-N559 PolarHBondContact OG-O 3.35Å; L490-N559 VanDerWaalsContact CB-O 3.31Å; L490-N559 WeakPolarHBondContact CB-O 3.37Å; L490-N559 PolarHBondContact N-O 3.49Å; N491-N559 WeakPolarHBondContact ND2-CB 3.13Å; N491-N559 PolarHBondContact ND2-OD1 3.13Å; N559-E575 VanDerWaalsContact ND2-CD 3.32Å; N559-E575 PolarHBondContact ND2-OE2 3.1Å
560	D	93.4	Very high	89.4	Confident	60 Å²	60	48.4 Å²	48.4	32%	0.321	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	150.4	-172.1	-58.1	-47.4	0	0	0	111.6	V488 S489 V558 G572	V488-D560 CarbonylContact O-C 3.53Å; V488-D560 WeakPolarHBondContact O-CA 3.4Å; S489-D560 WeakPolarHBondContact CA-OD1 3.45Å; S489-D560 WeakPolarHBondContact CB-OD1 3.35Å; S489-D560 PolarHBondContact OG-OD1 2.84Å; V558-D560 VanDerWaalsContact CG1-O 3.26Å; V558-D560 WeakPolarHBondContact CG1-O 3.31Å; D560-G572 WeakPolarHBondContact O-CA 3.29Å; D560-G572 PolarHBondContact O-N 3.35Å
561	L	94.9	Very high	89.5	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	135.5	167.3	-99.1	176.3	0	0	0	110.2	P487 V488 L490 F546 L547 F550 I554 V569 R570	P487-L561 CarbonylContact C-O 3.53Å; P487-L561 VanDerWaalsContact CA-O 3.29Å; P487-L561 WeakPolarHBondContact CA-O 3.38Å; V488-L561 HydrophobicContact CB-CB 4.44Å; V488-L561 PolarHBondContact N-O 3.32Å; V488-L561 PolarHBondContact O-N 3.35Å; L490-L561 HydrophobicContact CD2-CD1 4.09Å; L490-L561 HydrophobicContact CD2-CG 4.15Å; F546-L561 HydrophobicContact CE1-CD1 4.36Å; L547-L561 HydrophobicContact CD2-CD1 3.85Å; F550-L561 HydrophobicContact CB-CD1 3.69Å; F550-L561 HydrophobicContact CD1-CD1 4.44Å; F550-L561 HydrophobicContact CD1-CD2 4.46Å; F550-L561 HydrophobicContact CD2-CD1 3.77Å; F550-L561 HydrophobicContact CG-CD1 3.72Å; I554-L561 HydrophobicContact CD1-CD1 4.04Å; I554-L561 HydrophobicContact CD1-CD2 3.52Å; I554-L561 HydrophobicContact CD1-CG 3.54Å; L561-V569 HydrophobicContact CD1-CG1 4.48Å; L561-V569 HydrophobicContact CD2-CG1 3.63Å; L561-R570 WeakPolarHBondContact CD2-O 3.25Å
562	I	95.2	Very high	89.6	Confident	19 Å²	19	48.4 Å²	48.4	10%	0.097	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	114.1	173	-52	-56	0	0	0	109	F485 P487 V569 R570	F485-I562 HydrophobicContact CB-CG2 3.79Å; F485-I562 HydrophobicContact CD2-CD1 4.48Å; F485-I562 HydrophobicContact CD2-CG2 3.66Å; F485-I562 HydrophobicContact CE2-CG2 4.47Å; F485-I562 HydrophobicContact CG-CG2 3.88Å; P487-I562 HydrophobicContact CB-CD1 3.8Å; I562-V569 WeakPolarHBondContact O-CA 3.49Å; I562-R570 HydrophobicContact CB-CG 3.79Å; I562-R570 HydrophobicContact CG1-CG 4.49Å; I562-R570 HydrophobicContact CG2-CG 4.3Å; I562-R570 PolarHBondContact N-O 3.5Å; I562-R570 PolarHBondContact O-N 3.12Å
563	V	96.3	Very high	89.9	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	122	172.8	-176.8	0	0	0	0	109	M475 A478 F485 Y486 V488 F546 V569	M475-V563 HydrophobicContact CG-CG1 3.95Å; A478-V563 WeakPolarHBondContact CB-O 3.34Å; F485-V563 CarbonylContact C-O 3.38Å; F485-V563 VanDerWaalsContact CA-O 3.32Å; F485-V563 WeakPolarHBondContact CA-O 3.26Å; Y486-V563 PolarHBondContact N-O 3.18Å; Y486-V563 PolarHBondContact O-N 3.28Å; V488-V563 HydrophobicContact CG2-CG2 3.95Å; F546-V563 HydrophobicContact CE1-CG2 3.95Å; F546-V563 HydrophobicContact CZ-CG2 3.79Å; V563-V569 HydrophobicContact CG1-CG2 4.47Å; V563-V569 HydrophobicContact CG2-CG1 4.49Å; V563-V569 HydrophobicContact CG2-CG2 4.38Å
564	E	95.5	Very high	89.5	Confident	44 Å²	44	51.9 Å²	51.9	21%	0.206	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	157.8	178.1	-66.6	178.8	-149.1	0	0	112.4	F485 T566 G567 V568 R570	F485-E564 HydrophobicContact CB-CG 4.32Å; E564-T566 WeakPolarHBondContact CB-OG1 3.47Å; E564-T566 PolarHBondContact O-N 3.07Å; E564-T566 VanDerWaalsContact O-N 3.16Å; E564-T566 PolarHBondContact OE2-OG1 2.92Å; E564-G567 PolarHBondContact O-N 2.97Å; E564-V568 HydrophobicContact CB-CB 4.24Å; E564-V568 HydrophobicContact CG-CB 4.34Å; E564-V568 PolarHBondContact N-O 2.87Å; E564-R570 IonicContact OE1-CZ 2.7Å; E564-R570 IonicContact OE1-NH1 2.69Å; E564-R570 PolarHBondContact OE1-NH1 2.96Å
565	K	94.2	Very high	88.4	Confident	119 Å²	119	57.8 Å²	57.8	52%	0.517	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-24.1	171.9	65.1	177.7	-179.3	177.2	0	113.6	A478 G484 G567	A478-K565 HydrophobicContact CB-CB 4.39Å; G484-K565 WeakPolarHBondContact O-CB 3.24Å; G484-K565 WeakPolarHBondContact O-CG 3.24Å; G484-K565 PolarHBondContact O-N 3.13Å; K565-G567 VanDerWaalsContact C-N 3.29Å
566	T	92.9	Very high	86.7	Confident	90 Å²	90	61.1 Å²	61.1	55%	0.552	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-15.4	174.6	51.8	0	0	0	0	113.3	E564 V568	E564-T566 WeakPolarHBondContact CB-OG1 3.47Å; E564-T566 PolarHBondContact O-N 3.07Å; E564-T566 VanDerWaalsContact O-N 3.16Å; E564-T566 PolarHBondContact OE2-OG1 2.92Å; T566-V568 VanDerWaalsContact C-N 3.29Å; T566-V568 WeakPolarHBondContact OG1-CG2 3.42Å; T566-V568 PolarHBondContact OG1-N 3.11Å
567	G	89.9	Confident	85.1	Confident	12 Å²	12	65 Å²	65	12%	0.124	36%	0.36	C	S	.	.	S	Bend	trans	81.8	5.1	-170.5	0	0	0	0	0	114.3	K471 M475 E564 K565	K471-G567 WeakPolarHBondContact CE-O 3.44Å; K471-G567 PolarHBondContact NZ-O 2.8Å; M475-G567 WeakPolarHBondContact SD-CA 3.43Å; E564-G567 PolarHBondContact O-N 2.97Å; K565-G567 VanDerWaalsContact C-N 3.29Å
568	V	93.7	Very high	82.7	Confident	74 Å²	74	71.9 Å²	71.9	45%	0.448	38%	0.381	S	S	.	.			trans	-65.2	139.2	162.5	176.6	0	0	0	0	108.6	E564 T566	E564-V568 HydrophobicContact CB-CB 4.24Å; E564-V568 HydrophobicContact CG-CB 4.34Å; E564-V568 PolarHBondContact N-O 2.87Å; T566-V568 VanDerWaalsContact C-N 3.29Å; T566-V568 WeakPolarHBondContact OG1-CG2 3.42Å; T566-V568 PolarHBondContact OG1-N 3.11Å
569	V	93.6	Very high	80.2	Confident	33 Å²	33	77.1 Å²	77.1	20%	0.2	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	128.9	178.1	-177.7	0	0	0	0	107.5	F546 F550 L561 I562 V563	F546-V569 HydrophobicContact CE2-CG2 4.13Å; F546-V569 HydrophobicContact CZ-CG1 4.1Å; F546-V569 HydrophobicContact CZ-CG2 3.94Å; F550-V569 HydrophobicContact CE1-CG1 4.05Å; F550-V569 HydrophobicContact CE2-CG1 4.13Å; F550-V569 HydrophobicContact CZ-CB 4.18Å; F550-V569 HydrophobicContact CZ-CG1 3.74Å; L561-V569 HydrophobicContact CD1-CG1 4.48Å; L561-V569 HydrophobicContact CD2-CG1 3.63Å; I562-V569 WeakPolarHBondContact O-CA 3.49Å; V563-V569 HydrophobicContact CG1-CG2 4.47Å; V563-V569 HydrophobicContact CG2-CG1 4.49Å; V563-V569 HydrophobicContact CG2-CG2 4.38Å
570	R	91.3	Very high	77.6	Confident	116 Å²	116	85 Å²	85	44%	0.438	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	153.1	-179.6	66.6	-171.4	-159.1	-128.4	5.1	110.6	L561 I562 E564	L561-R570 WeakPolarHBondContact CD2-O 3.25Å; I562-R570 HydrophobicContact CB-CG 3.79Å; I562-R570 HydrophobicContact CG1-CG 4.49Å; I562-R570 HydrophobicContact CG2-CG 4.3Å; I562-R570 PolarHBondContact N-O 3.5Å; I562-R570 PolarHBondContact O-N 3.12Å; E564-R570 IonicContact OE1-CZ 2.7Å; E564-R570 IonicContact OE1-NH1 2.69Å; E564-R570 PolarHBondContact OE1-NH1 2.96Å
571	S	90.7	Very high	74.9	Confident	59 Å²	59	93.6 Å²	93.6	41%	0.413	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	143.7	169.3	-63.7	0	0	0	0	110.6
572	G	87.6	Confident	72.1	Confident	12 Å²	12	96.6 Å²	96.6	12%	0.124	51%	0.506	C	S	.	.	P	Polyproline II helix	trans	-67.7	171.1	162.1	0	0	0	0	0	111.5	D560	D560-G572 WeakPolarHBondContact O-CA 3.29Å; D560-G572 PolarHBondContact O-N 3.35Å
573	D	84.9	Confident	69.2	Low	158 Å²	158	105.8 Å²	105.8	85%	0.845	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-59.7	142.7	177.2	-56.2	-59.9	0	0	0	110.9	E575	D573-E575 PolarHBondContact O-N 2.89Å
574	V	73.5	Confident	66.2	Low	92 Å²	92	114.2 Å²	114.2	56%	0.558	58%	0.582	S	S	*	*	B	Isolated β-bridge	trans	-67.8	129.3	172.1	-180	0	0	0	0	108.1	V558 D576	V558-V574 HydrophobicContact CG2-CG2 3.84Å; V574-D576 VanDerWaalsContact C-N 3.3Å; V574-D576 PolarHBondContact O-N 2.85Å
575	E	62.5	Low	63.4	Low	131 Å²	131	119.8 Å²	119.8	61%	0.612	61%	0.606	S	S	*	*			trans	-67.7	93.8	168.7	-84.2	-159.4	129.5	0	0	109.5	G557 N559 D573 V577	G557-E575 PolarHBondContact O-N 3.37Å; N559-E575 VanDerWaalsContact ND2-CD 3.32Å; N559-E575 PolarHBondContact ND2-OE2 3.1Å; D573-E575 PolarHBondContact O-N 2.89Å; E575-V577 WeakPolarHBondContact O-CG2 3.15Å; E575-V577 PolarHBondContact O-N 3.09Å
576	D	46.4	Very low	60.3	Low	139 Å²	139	119.6 Å²	119.6	74%	0.743	62%	0.615	S	S	*	*			trans	-58.4	99	169.1	-122.4	-8.4	0	0	0	108.5	V574 K578	V574-D576 VanDerWaalsContact C-N 3.3Å; V574-D576 PolarHBondContact O-N 2.85Å; D576-K578 PolarHBondContact O-N 2.73Å
577	V	45.8	Very low	57.4	Low	132 Å²	132	120.6 Å²	120.6	80%	0.8	62%	0.617	S	S	*	*			trans	-71	75.4	177.6	-174.8	0	0	0	0	108.2	E575 P579	E575-V577 WeakPolarHBondContact O-CG2 3.15Å; E575-V577 PolarHBondContact O-N 3.09Å; V577-P579 WeakPolarHBondContact O-CD 3.32Å
578	K	33.5	Very low	54.7	Low	173 Å²	173	127.6 Å²	127.6	75%	0.752	65%	0.651	S	S	*	*			trans	-46.5	113.4	177.2	-75.9	177.2	178.9	171	0	107.4	D576 K580	D576-K578 PolarHBondContact O-N 2.73Å; K578-K580 PolarHBondContact O-N 2.91Å; K578-K580 VanDerWaalsContact O-N 3.11Å
579	P	36.1	Very low	51.7	Low	115 Å²	115	132 Å²	132	75%	0.747	67%	0.672	S	S	*	*			trans	-58.4	126	-169.7	20.8	-32.2	0	0	0	107.8	V577 R581	V577-P579 WeakPolarHBondContact O-CD 3.32Å; P579-R581 PolarHBondContact O-N 2.79Å
580	K	37.7	Very low	48.9	Very low	207 Å²	207	134.8 Å²	134.8	90%	0.9	70%	0.699	S	S	*	*			trans	-60.1	91.1	-178.8	-76.9	-175.4	176.9	177.9	0	108.6	K578 G582	K578-K580 PolarHBondContact O-N 2.91Å; K578-K580 VanDerWaalsContact O-N 3.11Å; K580-G582 PolarHBondContact O-N 2.68Å
581	R	37.4	Very low	46.1	Very low	240 Å²	240	137.5 Å²	137.5	91%	0.906	72%	0.722	S	S	*	*			trans	-49.6	112.8	-176.9	-174.3	177	-175.6	177.1	1.9	106.8	P579 K583	P579-R581 PolarHBondContact O-N 2.79Å; R581-K583 PolarHBondContact O-N 3.05Å
582	G	36	Very low	43.3	Very low	63 Å²	63	138 Å²	138	65%	0.649	74%	0.737	S	S	*	*			trans	-50.4	126.4	-165.3	0	0	0	0	0	110	K580 K584	K580-G582 PolarHBondContact O-N 2.68Å; G582-K584 PolarHBondContact O-N 3.15Å
583	K	34.5	Very low	40.7	Very low	212 Å²	212	146 Å²	146	92%	0.922	78%	0.777	S	S	*	*			trans	-64.4	91.9	179.1	-167.5	176.6	-174	-179.2	0	106.9	R581 K585	R581-K583 PolarHBondContact O-N 3.05Å; K583-K585 PolarHBondContact O-N 2.75Å
584	K	32.9	Very low	38	Very low	178 Å²	178	141.9 Å²	141.9	77%	0.774	77%	0.772	S	S	*	*			trans	-53.6	119	-175.7	-174.2	-177.1	179.9	-172.4	0	106.7	G582 T586	G582-K584 PolarHBondContact O-N 3.15Å; K584-T586 PolarHBondContact O-N 2.77Å
585	K	37	Very low	36.2	Very low	160 Å²	160	145.3 Å²	145.3	70%	0.696	79%	0.785	S	S	*	*			trans	-69.9	102.4	171.3	-160.4	177.7	171.4	-85.6	0	105.2	K583 D587	K583-K585 PolarHBondContact O-N 2.75Å; K585-D587 IonicContact NZ-OD1 3.98Å; K585-D587 PolarHBondContact NZ-OD1 3.18Å; K585-D587 PolarHBondContact O-N 2.76Å
586	T	29.4	Very low	35.1	Very low	116 Å²	116	148.9 Å²	148.9	71%	0.712	80%	0.799	S	S	*	*			trans	-82.3	102.4	171.9	-48.2	0	0	0	0	105.8	K584	K584-T586 PolarHBondContact O-N 2.77Å
587	D	30.9	Very low	34.4	Very low	110 Å²	110	152.8 Å²	152.8	59%	0.588	80%	0.803	S	S	*	*			trans	-68.1	147.8	165.8	-59.7	-58.3	0	0	0	108.9	K585 D589	K585-D587 IonicContact NZ-OD1 3.98Å; K585-D587 PolarHBondContact NZ-OD1 3.18Å; K585-D587 PolarHBondContact O-N 2.76Å; D587-D589 PolarHBondContact O-N 3.19Å
588	N	33.2	Very low	33.9	Very low	160 Å²	160	153 Å²	153	86%	0.856	80%	0.798	S	S	*	*			trans	-102.8	84	-154.2	-176	85.7	0	0	0	111.8
589	D	31.6	Very low	33.8	Very low	165 Å²	165	152.3 Å²	152.3	88%	0.882	80%	0.795	S	S	*	*			trans	-115.3	155.2	171	-87.4	-56	0	0	0	112	D587	D587-D589 PolarHBondContact O-N 3.19Å
590	A	34.5	Very low	33.7	Very low	93 Å²	93	152.1 Å²	152.1	77%	0.769	80%	0.797	S	S	*	*			trans	-103.2	160.7	-155.2	0	0	0	0	0	115.8
591	N	32.7	Very low	33.3	Very low	173 Å²	173	148.3 Å²	148.3	93%	0.925	78%	0.782	S	S	*	*			trans	77.6	129.6	157.2	-149.6	8.5	0	0	0	117.7
592	G	30.3	Very low	32.9	Very low	70 Å²	70	144.6 Å²	144.6	72%	0.722	78%	0.778	S	S	*	*			trans	153.7	112.4	178.4	0	0	0	0	0	114
593	N	33.1	Very low	32.6	Very low	179 Å²	179	148 Å²	148	96%	0.957	78%	0.781	S	S	*	*			trans	-72.2	145.6	177.4	-85.7	-34.5	0	0	0	112.6
594	G	29.8	Very low	32.3	Very low	72 Å²	72	144.2 Å²	144.2	74%	0.742	78%	0.775	S	S	*	*			trans	-169.5	63.9	-176.7	0	0	0	0	0	117.5
595	I	35.2	Very low	32.1	Very low	164 Å²	164	145.4 Å²	145.4	84%	0.841	78%	0.78	S	S	*	*			trans	37.2	115.7	148.9	-55.8	171.1	0	0	0	118.6
596	K	39.9	Very low	31.6	Very low	206 Å²	206	145.4 Å²	145.4	90%	0.896	78%	0.782	S	S	*	*			trans	-79.6	134	164.9	-57.5	174.2	-177.1	175.1	0	111.1
597	R	31.5	Very low	31.3	Very low	221 Å²	221	149.3 Å²	149.3	83%	0.834	79%	0.793	S	S	*	*			trans	-147.3	130.2	153.7	-99	-162.2	173.1	176.1	-0.5	115
598	I	34.8	Very low	31.1	Very low	135 Å²	135	149.6 Å²	149.6	69%	0.692	80%	0.799	S	S	*	*			trans	60.3	100.9	147.8	-53	171.7	0	0	0	117.5
599	K	32	Very low	30.9	Very low	159 Å²	159	150.8 Å²	150.8	69%	0.691	80%	0.796	S	S	*	*			trans	-84.8	130.9	144.8	-172.5	-167.2	-167.1	-155.6	0	107.1	E601	K599-E601 WeakPolarHBondContact CE-OE1 3.41Å; K599-E601 VanDerWaalsContact CE-OE2 3.22Å; K599-E601 WeakPolarHBondContact CE-OE2 3.47Å; K599-E601 IonicContact NZ-OE1 2.63Å; K599-E601 PolarHBondContact NZ-OE1 2.85Å; K599-E601 IonicContact NZ-OE2 3.03Å; K599-E601 PolarHBondContact NZ-OE2 2.89Å
600	S	33	Very low	30.8	Very low	111 Å²	111	149.3 Å²	149.3	78%	0.776	79%	0.793	S	S	*	*			trans	-116.2	99.4	177.1	56	0	0	0	0	110.8
601	E	29.6	Very low	30.4	Very low	128 Å²	128	151.8 Å²	151.8	60%	0.598	79%	0.794	S	S	*	*			trans	-115	111.7	171.2	-76.9	170.3	156.5	0	0	109.6	K599	K599-E601 WeakPolarHBondContact CE-OE1 3.41Å; K599-E601 VanDerWaalsContact CE-OE2 3.22Å; K599-E601 WeakPolarHBondContact CE-OE2 3.47Å; K599-E601 IonicContact NZ-OE1 2.63Å; K599-E601 PolarHBondContact NZ-OE1 2.85Å; K599-E601 IonicContact NZ-OE2 3.03Å; K599-E601 PolarHBondContact NZ-OE2 2.89Å
602	I	28.7	Very low	30.3	Very low	161 Å²	161	150.5 Å²	150.5	83%	0.826	78%	0.784	S	S	*	*			trans	-141.1	99.7	163.1	-61	-176.4	0	0	0	103.7
603	I	30.7	Very low	30.5	Very low	135 Å²	135	155.7 Å²	155.7	69%	0.692	79%	0.789	S	S	*	*				67.9	111.5	70.9	-59.6	163.1	0	0	0	112
604	V	27.7	Very low	30.2	Very low	132 Å²	132	150.9 Å²	150.9	80%	0.8	78%	0.782	S	S	*	*				-149	110.2	129.4	-179.2	0	0	0	0	109.6
605	K	28.1	Very low	30.4	Very low	204 Å²	204	158.6 Å²	158.6	89%	0.887	79%	0.789	S	S	*	*				-152.9	152.8	124.2	-113	-175.2	179.7	-169.8	0	108.9
606	Q	26	Very low	30.1	Very low	159 Å²	159	158.2 Å²	158.2	74%	0.743	79%	0.789	S	S	*	*			trans	-140	120.5	-149	168.9	-169.3	-11.9	0	0	109.8
607	E	24.3	Very low	30	Very low	199 Å²	199	153.9 Å²	153.9	93%	0.93	78%	0.779	S	S	*	*			trans	-138.8	158.7	164.2	-67.3	-171.7	172.5	0	0	108.6
608	T	26	Very low	30.6	Very low	116 Å²	116	149.2 Å²	149.2	71%	0.712	78%	0.777	S	S	*	*			trans	-118.7	126.4	-149.8	45.9	0	0	0	0	115.8
609	F	28.6	Very low	30.4	Very low	184 Å²	184	151.8 Å²	151.8	81%	0.807	78%	0.784	S	S	*	*			trans	41.5	133.2	141.2	-95.2	-87.8	0	0	0	122.8
610	T	29.4	Very low	30.4	Very low	134 Å²	134	149.2 Å²	149.2	82%	0.822	79%	0.786	S	S	*	*			trans	-155.4	172.9	133	1	0	0	0	0	110.2
611	D	27	Very low	31.1	Very low	145 Å²	145	149.6 Å²	149.6	78%	0.775	79%	0.786	S	S	*	*			trans	-82.1	164.4	-142.1	-77	-73.1	0	0	0	122.1
612	M	30.4	Very low	31.4	Very low	147 Å²	147	150.9 Å²	150.9	72%	0.724	79%	0.794	S	S	*	*			trans	-71.6	154.1	170.1	-66.1	174.6	55.1	0	0	114.8
613	H	35.2	Very low	32	Very low	178 Å²	178	149.1 Å²	149.1	82%	0.824	79%	0.793	S	S	*	*				160.1	149.1	113.9	-87.5	92	0	0	0	113
614	G	27	Very low	31.9	Very low	79 Å²	79	150.3 Å²	150.3	81%	0.814	80%	0.797	S	S	*	*			trans	156.5	136.4	167.3	0	0	0	0	0	114.8
615	R	34.3	Very low	33.2	Very low	233 Å²	233	149.5 Å²	149.5	88%	0.879	80%	0.795	S	S	*	*			trans	-122.3	148.9	177.9	-67.7	177.2	173.1	167.2	-3.3	111.2
616	N	28.2	Very low	33.1	Very low	157 Å²	157	143.2 Å²	143.2	84%	0.84	79%	0.788	S	S	*	*				172.2	161.9	114.6	-85.7	-21.6	0	0	0	113.4
617	V	37	Very low	33.2	Very low	115 Å²	115	141 Å²	141	70%	0.697	79%	0.79	S	S	*	*			trans	-141.8	155.4	175.2	-148.4	0	0	0	0	107.8
618	P	45.2	Very low	33.5	Very low	122 Å²	122	138.4 Å²	138.4	79%	0.792	79%	0.787	S	S	*	*				-149.5	179.2	103.8	37	-18.4	0	0	0	115.9
619	F	30.4	Very low	34.8	Very low	189 Å²	189	138.3 Å²	138.3	83%	0.829	79%	0.789	S	S	*	*			trans	-92.8	-172.3	176.6	-42.6	-89	0	0	0	111.1
620	S	30.8	Very low	36.2	Very low	106 Å²	106	134.8 Å²	134.8	74%	0.741	78%	0.784	S	S	*	*			cis	-170.9	-163.8	5.9	-136.6	0	0	0	0	107.4
621	P	48.7	Very low	36.4	Very low	118 Å²	118	134.9 Å²	134.9	77%	0.766	78%	0.78	S	S	*	*			cis	-131.8	-163.4	-29.5	38.2	-19	0	0	0	112.8
622	M	35.2	Very low	36.5	Very low	156 Å²	156	138.4 Å²	138.4	77%	0.768	78%	0.782	S	S	*	*			trans	-93.6	165.2	170.1	-68.3	170.2	55.8	0	0	114.3	M624	M622-M624 HydrophobicContact CE-CG 4.28Å
623	P	42	Very low	36.8	Very low	124 Å²	124	136.5 Å²	136.5	81%	0.805	78%	0.779	S	S	*	*			trans	-134	-177.9	134.8	38.5	-27	0	0	0	114.8
624	M	28.9	Very low	36.7	Very low	160 Å²	160	138.5 Å²	138.5	79%	0.788	78%	0.779	S	S	*	*			trans	-130.4	-156.7	-179.2	-67.4	-167.5	70.9	0	0	111.7	M622	M622-M624 HydrophobicContact CE-CG 4.28Å
625	P	54.6	Low	36.9	Very low	115 Å²	115	140.6 Å²	140.6	75%	0.747	77%	0.772	S	S	*	*				-129.8	167.1	-85.4	40.4	-25.1	0	0	0	117
626	G	26.9	Very low	36.6	Very low	72 Å²	72	137.3 Å²	137.3	74%	0.742	77%	0.766	S	S	*	*			trans	101.4	158.3	160.1	0	0	0	0	0	117
627	S	28.4	Very low	36.6	Very low	113 Å²	113	134.5 Å²	134.5	79%	0.79	76%	0.759	S	S	*	*			cis	-161.9	148.8	-2.3	-66.1	0	0	0	0	113.5
628	V	29	Very low	37	Very low	143 Å²	143	134 Å²	134	87%	0.867	76%	0.758	S	S	*	*			trans	63.6	147.4	162.1	-77.6	0	0	0	0	123.1
629	P	53.7	Low	36.3	Very low	114 Å²	114	133.5 Å²	133.5	74%	0.74	76%	0.757	S	S	*	*			trans	-111.8	-166	-175.4	41.6	-25.9	0	0	0	113.3
630	P	59.1	Low	36.1	Very low	111 Å²	111	134.2 Å²	134.2	72%	0.721	76%	0.761	S	S	*	*				-155.4	177.4	103.3	42	-23.6	0	0	0	118.7
631	D	33.5	Very low	36.1	Very low	136 Å²	136	133.3 Å²	133.3	73%	0.727	75%	0.754	S	S	*	*			trans	82.4	120.7	139.4	-82.8	12.4	0	0	0	127.8
632	W	28.8	Very low	35.2	Very low	218 Å²	218	134.9 Å²	134.9	83%	0.826	75%	0.753	S	S	*	*			trans	100	88.1	137.5	-76.5	43	0	0	0	125.5
633	T	36.5	Very low	34.7	Very low	107 Å²	107	136.4 Å²	136.4	66%	0.656	76%	0.758	S	S	*	*				75.6	143.3	114.6	-32.9	0	0	0	0	123.4
634	R	32.5	Very low	34.4	Very low	220 Å²	220	136 Å²	136	83%	0.83	76%	0.759	S	S	*	*			trans	81	141.1	167.3	-58	-164.2	170.1	-144.1	-0.8	116.4
635	L	32.2	Very low	35	Very low	124 Å²	124	134 Å²	134	65%	0.649	76%	0.757	S	S	*	*			cis	-160.5	169.8	-11.4	-103.9	169.6	0	0	0	106.3
636	Q	27.3	Very low	33.8	Very low	163 Å²	163	135 Å²	135	76%	0.762	76%	0.756	S	S	*	*			cis	-143.9	-151.1	8.4	-163.2	141.4	-48.8	0	0	110.3
637	S	29	Very low	33.8	Very low	99 Å²	99	141.7 Å²	141.7	69%	0.692	77%	0.765	S	S	*	*			trans	-152.2	-174	175.2	75.9	0	0	0	0	107.8
638	P	43.9	Very low	33.9	Very low	104 Å²	104	142.9 Å²	142.9	68%	0.675	76%	0.763	S	S	*	*			cis	-138.1	153.7	38.3	40.2	-21.1	0	0	0	117.7
639	S	31.9	Very low	35.4	Very low	112 Å²	112	141.8 Å²	141.8	78%	0.783	76%	0.758	S	S	*	*			trans	-88.2	165.3	149.3	-48.6	0	0	0	0	109.4
640	F	25.9	Very low	34.2	Very low	204 Å²	204	140.5 Å²	140.5	90%	0.895	76%	0.757	S	S	*	*			trans	-123.3	151	155.4	-104.1	-82.3	0	0	0	111.7
641	S	29.8	Very low	33	Very low	86 Å²	86	141 Å²	141	60%	0.601	76%	0.764	S	S	*	*			trans	-156.9	166.7	-170.7	-172.9	0	0	0	0	109.4
642	M	29.4	Very low	32.9	Very low	152 Å²	152	139.3 Å²	139.3	75%	0.749	77%	0.769	S	S	*	*			trans	61.7	109.6	173.1	-58.7	-65.6	121	0	0	116.5
643	Q	25.5	Very low	32.8	Very low	187 Å²	187	132.3 Å²	132.3	87%	0.874	76%	0.764	S	S	*	*				-178.8	139	102.6	-93.9	151.4	26.5	0	0	113.2
644	S	36.2	Very low	32.5	Very low	117 Å²	117	132.6 Å²	132.6	82%	0.818	77%	0.77	S	S	*	*			trans	-124.2	152.3	150.2	-66.2	0	0	0	0	106.7
645	P	41.7	Very low	32.4	Very low	116 Å²	116	130 Å²	130	75%	0.753	77%	0.77	S	S	*	*				-145.2	139	118.9	33.9	-18.6	0	0	0	115.8
646	N	29.2	Very low	32.4	Very low	136 Å²	136	131.4 Å²	131.4	73%	0.727	78%	0.777	S	S	*	*			trans	28.4	135.7	143.4	-63.5	-11.4	0	0	0	122.1
647	K	26.5	Very low	32.4	Very low	213 Å²	213	130 Å²	130	93%	0.926	78%	0.775	S	S	*	*				-156.4	84.2	119.9	-112.5	167.1	-174	177.7	0	115.2
648	N	31.2	Very low	32.3	Very low	139 Å²	139	132.1 Å²	132.1	74%	0.743	78%	0.776	S	S	*	*			trans	46.8	162.3	136.5	-76.6	22.5	0	0	0	125.2
649	P	59.4	Low	31.5	Very low	119 Å²	119	131.9 Å²	131.9	77%	0.773	78%	0.776	S	S	*	*			trans	-126.5	-176	-168.2	44.6	-28.9	0	0	0	115.8
650	A	27.8	Very low	31.7	Very low	87 Å²	87	132 Å²	132	72%	0.719	78%	0.777	S	S	*	*			trans	-148.6	131.1	158.9	0	0	0	0	0	107.3
651	S	35.2	Very low	32.7	Very low	123 Å²	123	128.8 Å²	128.8	86%	0.86	78%	0.776	S	S	*	*				86	139.8	57.7	-65.7	0	0	0	0	113.3
652	A	30.9	Very low	32.6	Very low	100 Å²	100	135 Å²	135	83%	0.826	79%	0.787	S	S	*	*			cis	-170	170.4	-12.1	0	0	0	0	0	112.2
653	G	27.7	Very low	32.6	Very low	71 Å²	71	134 Å²	134	73%	0.732	78%	0.781	S	S	*	*			trans	86.9	155.7	161.1	0	0	0	0	0	117.1
654	S	29	Very low	32.8	Very low	113 Å²	113	130.7 Å²	130.7	79%	0.79	77%	0.773	S	S	*	*			cis	-159.6	132.7	-13	-85.7	0	0	0	0	107.3
655	M	30.7	Very low	32.4	Very low	165 Å²	165	133.9 Å²	133.9	81%	0.813	78%	0.777	S	S	*	*				66.7	139.2	78.3	-79.4	-81.6	-77.5	0	0	115.6
656	L	31.7	Very low	32.2	Very low	153 Å²	153	135.5 Å²	135.5	80%	0.801	78%	0.778	S	S	*	*			trans	81.2	151.2	171.4	-53.6	-174.2	0	0	0	118.1
657	N	28.6	Very low	32.7	Very low	134 Å²	134	135.2 Å²	135.2	72%	0.717	78%	0.783	S	S	*	*			cis	-164.8	160.7	-30.4	-160.7	18.9	0	0	0	112.5
658	M	26.8	Very low	32.8	Very low	144 Å²	144	128 Å²	128	71%	0.709	77%	0.77	S	S	*	*			trans	34.9	133	150.8	-74.8	-92.7	79.8	0	0	125.1
659	S	27.6	Very low	32.7	Very low	99 Å²	99	130.1 Å²	130.1	69%	0.692	78%	0.778	S	S	*	*			trans	79.5	147.1	131	-63.7	0	0	0	0	123.8
660	S	35	Very low	31.5	Very low	115 Å²	115	132.6 Å²	132.6	80%	0.804	78%	0.778	S	S	*	*			trans	-83	169.4	170	-39.6	0	0	0	0	113.1
661	P	46.8	Very low	32.4	Very low	135 Å²	135	134.3 Å²	134.3	88%	0.877	78%	0.782	S	S	*	*			trans	-135.1	-175.1	132.7	38.9	-28.3	0	0	0	115.2
662	R	28.3	Very low	32.1	Very low	216 Å²	216	136.7 Å²	136.7	82%	0.815	78%	0.782	S	S	*	*			trans	-100.2	153.7	-169.1	-95.4	172.3	153.3	-152.4	5.7	114
663	Q	29.3	Very low	32.3	Very low	133 Å²	133	139.6 Å²	139.6	62%	0.621	78%	0.78	S	S	*	*			trans	58.6	139.8	135.1	-64.9	177.5	-79.7	0	0	123.6
664	T	30.2	Very low	33.1	Very low	117 Å²	117	141.7 Å²	141.7	72%	0.718	78%	0.781	S	S	*	*			trans	60.7	117	142.9	51.3	0	0	0	0	121.3
665	M	27.2	Very low	34.2	Very low	183 Å²	183	141 Å²	141	90%	0.901	77%	0.774	S	S	*	*				-165	163.6	95.6	-93	-59.1	-169.4	0	0	111.1
666	I	37.1	Very low	34.2	Very low	150 Å²	150	142.7 Å²	142.7	77%	0.769	78%	0.779	S	S	*	*			trans	-120.9	156.8	169.4	-11.4	177.5	0	0	0	107.7
667	P	40.6	Very low	33.9	Very low	130 Å²	130	142.9 Å²	142.9	84%	0.844	78%	0.781	S	S	*	*				-132.2	174.7	69.4	21.4	1.3	0	0	0	113
668	G	28.6	Very low	33.9	Very low	62 Å²	62	141.8 Å²	141.8	64%	0.639	78%	0.779	S	S	*	*			cis	131.2	122.3	-2.5	0	0	0	0	0	112.4
669	M	28.6	Very low	34	Very low	184 Å²	184	141.9 Å²	141.9	91%	0.906	79%	0.788	S	S	*	*			trans	-174.8	123.1	161.9	-91.5	-102.6	87.7	0	0	109.5
670	H	34.9	Very low	34.1	Very low	170 Å²	170	145.2 Å²	145.2	79%	0.787	79%	0.794	S	S	*	*			trans	-112	155.7	163.4	-76.9	-79.6	0	0	0	108.1
671	P	45.4	Very low	33.7	Very low	124 Å²	124	151.6 Å²	151.6	81%	0.805	80%	0.801	S	S	*	*				-147.8	177.1	90.8	36	-17.6	0	0	0	113.6
672	M	28.6	Very low	32.7	Very low	172 Å²	172	150.6 Å²	150.6	85%	0.847	80%	0.797	S	S	*	*			cis	-160.8	159.2	-33.7	-105.6	-62.1	-175.3	0	0	107.3
673	M	36	Very low	32.5	Very low	162 Å²	162	143.5 Å²	143.5	80%	0.798	79%	0.792	S	S	*	*			trans	-98	178.7	161.9	-144.5	174.9	-168.8	0	0	108.7
674	P	45.5	Very low	32.3	Very low	115 Å²	115	143.4 Å²	143.4	75%	0.747	81%	0.806	S	S	*	*				-155.6	-146.9	82.9	47.7	-24.7	0	0	0	112.7
675	P	51.5	Low	32.4	Very low	98 Å²	98	142.4 Å²	142.4	64%	0.636	81%	0.809	S	S	*	*				-136.4	-163.4	-122.3	39.2	-14.1	0	0	0	115
676	H	29.7	Very low	32.9	Very low	201 Å²	201	139.3 Å²	139.3	93%	0.931	80%	0.803	S	S	*	*			trans	-148.9	160.1	147.5	-96.9	-67.6	0	0	0	110.9
677	D	25	Very low	32.4	Very low	156 Å²	156	142.5 Å²	142.5	83%	0.834	81%	0.807	S	S	*	*			trans	-141.7	174.9	-161	-156.1	-8.9	0	0	0	112.6
678	V	29.8	Very low	32	Very low	112 Å²	112	142.6 Å²	142.6	68%	0.679	81%	0.805	S	S	*	*			trans	-98.7	151.1	-165.1	-179.4	0	0	0	0	113.7
679	T	28.8	Very low	33	Very low	146 Å²	146	145 Å²	145	90%	0.896	81%	0.809	S	S	*	*			trans	-159.7	165.2	152.5	-3.7	0	0	0	0	114.2
680	M	29.8	Very low	33	Very low	168 Å²	168	144.6 Å²	144.6	83%	0.828	81%	0.805	S	S	*	*			trans	-127.9	166.2	-169.2	-61.3	-176.6	176.4	0	0	114.8
681	R	25.8	Very low	32.7	Very low	249 Å²	249	140.1 Å²	140.1	94%	0.94	79%	0.793	S	S	*	*			trans	175.3	162.8	144.6	-94.5	148.5	-173.1	-96.6	2	110.8
682	S	26.2	Very low	31.8	Very low	114 Å²	114	139.5 Å²	139.5	80%	0.797	79%	0.786	S	S	*	*			cis	-178.4	138.3	-30.8	-176.9	0	0	0	0	111.6
683	G	23.8	Very low	31.7	Very low	68 Å²	68	140.1 Å²	140.1	70%	0.701	78%	0.784	S	S	*	*			trans	80.5	164.1	168	0	0	0	0	0	117
684	S	25.9	Very low	31.3	Very low	131 Å²	131	139.9 Å²	139.9	92%	0.916	79%	0.786	S	S	*	*			cis	-163.1	168.2	-9.8	-75.8	0	0	0	0	110
685	A	31.7	Very low	30.6	Very low	96 Å²	96	141.9 Å²	141.9	79%	0.793	79%	0.791	S	S	*	*			trans	-130.8	163.2	-175.8	0	0	0	0	0	114.6
686	P	37.8	Very low	29.6	Very low	117 Å²	117	146.5 Å²	146.5	76%	0.76	80%	0.801	S	S	*	*			trans	-151.3	150.1	138.7	37.4	-20.2	0	0	0	118.2
687	Y	26.4	Very low	29.6	Very low	218 Å²	218	142 Å²	142	86%	0.855	78%	0.784	S	S	*	*			trans	33.1	156.5	141.6	-69.9	-89.5	0	0	0	123.4
688	T	32.9	Very low	30.1	Very low	132 Å²	132	142.7 Å²	142.7	81%	0.81	79%	0.788	S	S	*	*			cis	-159.4	169.5	27.1	-11.8	0	0	0	0	111
689	P	50.2	Low	30.2	Very low	111 Å²	111	144.7 Å²	144.7	72%	0.721	79%	0.79	S	S	*	*			trans	-122.4	169	-172.2	42.2	-30	0	0	0	117.5
690	E	27.6	Very low	30.5	Very low	176 Å²	176	145.9 Å²	145.9	82%	0.822	79%	0.79	S	S	*	*			trans	169.6	163.7	156.9	-96.2	-67.7	65	0	0	110
691	S	28.8	Very low	30.7	Very low	77 Å²	77	145.6 Å²	145.6	54%	0.538	79%	0.79	S	S	.	*			cis	-160.9	142.4	-22.6	-146.1	0	0	0	0	114.9
692	V	26.4	Very low	31.1	Very low	110 Å²	110	141.6 Å²	141.6	67%	0.667	78%	0.784	S	S	*	*			trans	44.7	127.6	132.5	177.4	0	0	0	0	125
693	K	27.3	Very low	31.4	Very low	185 Å²	185	144.4 Å²	144.4	80%	0.804	79%	0.785	S	S	*	*			trans	68.7	121.4	153.4	-75.8	164	-163.8	167.4	0	122.5
694	N	26.2	Very low	31.8	Very low	157 Å²	157	147.9 Å²	147.9	84%	0.84	79%	0.786	S	S	*	*				-171.8	133	98.4	-100.9	-21.8	0	0	0	112.5
695	D	31.8	Very low	32.1	Very low	157 Å²	157	150.6 Å²	150.6	84%	0.84	78%	0.784	S	S	*	*			trans	-88.2	136.5	161.6	-70.8	-61.9	0	0	0	110
696	K	30.4	Very low	32.1	Very low	196 Å²	196	148.7 Å²	148.7	85%	0.852	77%	0.773	S	S	*	*			trans	-175.5	149.2	152.7	-110.8	162.6	-172.8	179.5	0	115.6
697	N	30.2	Very low	31.5	Very low	107 Å²	107	150.8 Å²	150.8	57%	0.572	78%	0.777	S	S	*	*			trans	81.2	91.6	159.1	-67.7	33.5	0	0	0	119.5	E699	N697-E699 PolarHBondContact ND2-OE2 2.87Å; N697-E699 PolarHBondContact O-N 2.84Å
698	D	34	Very low	31.5	Very low	170 Å²	170	150.3 Å²	150.3	91%	0.909	78%	0.775	S	S	*	*			trans	-69.5	47.1	165.8	-56.2	-89.7	0	0	0	114.9
699	E	32.7	Very low	31.3	Very low	154 Å²	154	149.9 Å²	149.9	72%	0.72	77%	0.772	S	S	*	*			trans	-110.9	2.3	-174	-71.4	-173	130.9	0	0	115.7	N697	N697-E699 PolarHBondContact ND2-OE2 2.87Å; N697-E699 PolarHBondContact O-N 2.84Å
700	L	34.7	Very low	30.2	Very low	171 Å²	171	149.4 Å²	149.4	90%	0.895	77%	0.77	S	S	*	*	S	Bend	trans	-101.9	13.1	-177	-75.8	171.6	0	0	0	115.6
701	L	34	Very low	30.3	Very low	161 Å²	161	148.7 Å²	148.7	84%	0.843	77%	0.772	S	S	*	*	S	Bend	trans	-112.4	9.2	-176	-105.3	164.6	0	0	0	115.3
702	M	33.7	Very low	30.2	Very low	166 Å²	166	149.9 Å²	149.9	82%	0.818	78%	0.776	S	S	*	*	S	Bend	trans	-111.3	-4.3	-175.9	-77.1	-75.9	-72.9	0	0	115.3
703	H	33.7	Very low	30.7	Very low	173 Å²	173	148 Å²	148	80%	0.801	77%	0.766	S	S	*	*			trans	-130.8	71.2	178.2	-80	-65.9	0	0	0	112.7
704	I	31.7	Very low	31.2	Very low	141 Å²	141	147.6 Å²	147.6	72%	0.723	77%	0.771	S	S	*	*			trans	-121.1	89.4	153.2	-57.5	-179.8	0	0	0	107.3	G706	I704-G706 PolarHBondContact O-N 2.81Å
705	E	32.6	Very low	31.7	Very low	188 Å²	188	144.3 Å²	144.3	88%	0.879	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	125.2	161.3	-64.1	-175.9	136.4	0	0	107.7
706	G	30.3	Very low	32.1	Very low	55 Å²	55	145 Å²	145	57%	0.567	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	150.3	-17.8	-177.7	0	0	0	0	0	116	I704 Y708	I704-G706 PolarHBondContact O-N 2.81Å; G706-Y708 VanDerWaalsContact C-N 3.26Å; G706-Y708 PolarHBondContact O-N 3.37Å
707	L	25	Very low	32.6	Very low	161 Å²	161	139.9 Å²	139.9	84%	0.843	73%	0.733	S	S	*	*			trans	-80.3	70.8	172.8	-84.7	172.4	0	0	0	112.1	V709	L707-V709 PolarHBondContact O-N 2.8Å
708	Y	27.2	Very low	33.3	Very low	208 Å²	208	136.8 Å²	136.8	82%	0.816	72%	0.715	S	S	*	*			trans	-69.6	107.4	160.5	-73.8	-83.2	0	0	0	109.4	G706 C710	G706-Y708 VanDerWaalsContact C-N 3.26Å; G706-Y708 PolarHBondContact O-N 3.37Å; Y708-C710 PolarHBondContact O-N 2.63Å; Y708-C710 VanDerWaalsContact O-N 3.11Å
709	V	28.7	Very low	33.4	Very low	124 Å²	124	135.1 Å²	135.1	75%	0.752	70%	0.702	S	S	*	*			trans	-70.4	101.6	161.1	178.7	0	0	0	0	106.8	L707 D711	L707-V709 PolarHBondContact O-N 2.8Å; V709-D711 PolarHBondContact O-N 2.99Å; V709-D711 VanDerWaalsContact O-N 3.1Å
710	C	26.5	Very low	33.8	Very low	100 Å²	100	131.8 Å²	131.8	68%	0.676	69%	0.689	S	S	*	*			trans	-68.6	107	176.9	-74	0	0	0	0	110.7	Y708 V712	Y708-C710 PolarHBondContact O-N 2.63Å; Y708-C710 VanDerWaalsContact O-N 3.11Å; C710-V712 HydrophobicContact CB-CG2 4.41Å; C710-V712 PolarHBondContact O-N 2.67Å
711	D	31.1	Very low	34.3	Very low	161 Å²	161	126.3 Å²	126.3	86%	0.861	66%	0.662	S	S	*	*			trans	-70.7	38.2	168	-79.3	-44.2	0	0	0	112.8	V709	V709-D711 PolarHBondContact O-N 2.99Å; V709-D711 VanDerWaalsContact O-N 3.1Å
712	V	26	Very low	34.6	Very low	103 Å²	103	120.8 Å²	120.8	62%	0.624	64%	0.635	S	S	*	*			trans	-111.9	118.9	179.9	-172.5	0	0	0	0	108.7	C710	C710-V712 HydrophobicContact CB-CG2 4.41Å; C710-V712 PolarHBondContact O-N 2.67Å
713	P	36.2	Very low	34.7	Very low	71 Å²	71	120 Å²	120	46%	0.461	62%	0.623	S	S	.	*			trans	-69.7	136.6	-178.4	28.1	-33.9	0	0	0	111.5	L715	P713-L715 VanDerWaalsContact C-N 3.29Å; P713-L715 PolarHBondContact O-N 2.96Å
714	I	38.6	Very low	35.1	Very low	176 Å²	176	120.1 Å²	120.1	90%	0.903	62%	0.618	S	S	*	*	S	Bend	trans	-71.3	81.9	179.9	-51.3	173.6	0	0	0	109.9
715	L	37.6	Very low	35.4	Very low	88 Å²	88	116 Å²	116	46%	0.461	60%	0.596	S	S	.	*			trans	-123	-16.4	-177.4	-101.9	167.3	0	0	0	114.4	P713	P713-L715 VanDerWaalsContact C-N 3.29Å; P713-L715 PolarHBondContact O-N 2.96Å
716	E	40	Very low	35.6	Very low	172 Å²	172	112.9 Å²	112.9	80%	0.804	59%	0.586	S	S	*	*			trans	-90.2	-23.7	-165.9	-59.9	-157.3	128.4	0	0	115.5	E718	E716-E718 VanDerWaalsContact C-N 3.26Å; E716-E718 PolarHBondContact O-N 2.77Å
717	N	40.1	Very low	35.9	Very low	87 Å²	87	113 Å²	113	47%	0.465	59%	0.586	S	S	.	*			trans	-84.6	63.6	-173.2	-151.6	-35.4	0	0	0	113.6	Q719 L720	N717-Q719 PolarHBondContact O-N 3.16Å; N717-Q719 PolarHBondContact OD1-N 2.81Å; N717-L720 HydrophobicContact CB-CD1 4.11Å; N717-L720 HydrophobicContact CB-CG 4.45Å; N717-L720 WeakPolarHBondContact ND2-CD1 3.37Å; N717-L720 PolarHBondContact O-N 3.4Å; N717-L720 WeakPolarHBondContact OD1-CG 3.34Å; N717-L720 PolarHBondContact OD1-N 2.94Å
718	E	44.4	Very low	36.4	Very low	43 Å²	43	109.6 Å²	109.6	20%	0.201	57%	0.573	C	S	.	*	H	α-helix	trans	-62.8	-23.2	170.7	-65.5	-143.3	121.9	0	0	112.4	R452 E716 T721 V722	R452-E718 IonicContact CZ-OE1 2.72Å; R452-E718 IonicContact NH1-OE1 2.65Å; R452-E718 PolarHBondContact NH1-OE1 3.16Å; R452-E718 IonicContact NH2-OE1 3.72Å; R452-E718 PolarHBondContact NH2-OE1 2.84Å; R452-E718 VanDerWaalsContact NH2-OE1 3.16Å; E716-E718 VanDerWaalsContact C-N 3.26Å; E716-E718 PolarHBondContact O-N 2.77Å; E718-T721 PolarHBondContact O-N 3.24Å; E718-V722 WeakPolarHBondContact O-CG2 3.11Å; E718-V722 PolarHBondContact O-N 2.99Å; E718-V722 VanDerWaalsContact O-N 3.08Å
719	Q	37.3	Very low	37	Very low	134 Å²	134	108.8 Å²	108.8	63%	0.626	57%	0.573	S	S	*	*	H	α-helix	trans	-66.1	-40.8	176.9	-68	-153.6	34.3	0	0	112.6	N717 T721 V722 R723	N717-Q719 PolarHBondContact O-N 3.16Å; N717-Q719 PolarHBondContact OD1-N 2.81Å; Q719-T721 VanDerWaalsContact C-N 3.28Å; Q719-T721 PolarHBondContact O-N 3.27Å; Q719-V722 PolarHBondContact O-N 3.06Å; Q719-R723 PolarHBondContact O-N 3.4Å
720	L	41.2	Very low	37.3	Very low	85 Å²	85	108.5 Å²	108.5	45%	0.445	57%	0.567	S	S	.	*	H	α-helix	trans	-59	-40.5	172.4	-80.4	173.8	0	0	0	111.5	N717 V722 Y724 F733	N717-L720 HydrophobicContact CB-CD1 4.11Å; N717-L720 HydrophobicContact CB-CG 4.45Å; N717-L720 WeakPolarHBondContact ND2-CD1 3.37Å; N717-L720 PolarHBondContact O-N 3.4Å; N717-L720 WeakPolarHBondContact OD1-CG 3.34Å; N717-L720 PolarHBondContact OD1-N 2.94Å; L720-V722 VanDerWaalsContact C-N 3.34Å; L720-V722 PolarHBondContact O-N 3.46Å; L720-Y724 WeakPolarHBondContact O-CB 3.42Å; L720-Y724 PolarHBondContact O-N 2.88Å; L720-F733 HydrophobicContact CD2-CE1 4.45Å; L720-F733 HydrophobicContact CD2-CZ 3.7Å
721	T	45.3	Very low	37.8	Very low	56 Å²	56	112.1 Å²	112.1	34%	0.344	58%	0.579	S	S	.	*	H	α-helix	trans	-64.5	-38.5	177.9	-57.9	0	0	0	0	111.8	E718 Q719 M725	E718-T721 PolarHBondContact O-N 3.24Å; Q719-T721 VanDerWaalsContact C-N 3.28Å; Q719-T721 PolarHBondContact O-N 3.27Å; T721-M725 WeakPolarHBondContact O-CG 3.46Å; T721-M725 PolarHBondContact O-N 2.94Å
722	V	39.7	Very low	38.1	Very low	45 Å²	45	108.4 Å²	108.4	27%	0.273	57%	0.565	S	S	.	*	H	α-helix	trans	-71.6	-51.9	177.7	175.2	0	0	0	0	111.4	E718 Q719 L720 Y724 M725 D726	E718-V722 WeakPolarHBondContact O-CG2 3.11Å; E718-V722 PolarHBondContact O-N 2.99Å; E718-V722 VanDerWaalsContact O-N 3.08Å; Q719-V722 PolarHBondContact O-N 3.06Å; L720-V722 VanDerWaalsContact C-N 3.34Å; L720-V722 PolarHBondContact O-N 3.46Å; V722-Y724 VanDerWaalsContact C-N 3.25Å; V722-Y724 PolarHBondContact O-N 3.44Å; V722-M725 WeakPolarHBondContact O-CA 3.49Å; V722-M725 PolarHBondContact O-N 2.76Å; V722-D726 WeakPolarHBondContact CG1-OD2 3.28Å; V722-D726 PolarHBondContact O-N 3.2Å
723	R	36.4	Very low	38.5	Very low	148 Å²	148	108.9 Å²	108.9	56%	0.558	56%	0.559	S	S	*	*	H	α-helix	trans	-59.5	-35.8	179.1	-68.6	-167.9	-172.8	-163.6	5.7	112.3	Q719 M725 G727	Q719-R723 PolarHBondContact O-N 3.4Å; R723-M725 VanDerWaalsContact C-N 3.25Å; R723-M725 PolarHBondContact O-N 2.72Å; R723-G727 PolarHBondContact O-N 2.85Å
724	Y	41.3	Very low	38.5	Very low	177 Å²	177	112.4 Å²	112.4	69%	0.694	57%	0.569	S	S	*	*	H	α-helix	trans	-70.7	-16.7	175.4	-167.2	-104.8	0	0	0	113.9	L720 V722	L720-Y724 WeakPolarHBondContact O-CB 3.42Å; L720-Y724 PolarHBondContact O-N 2.88Å; V722-Y724 VanDerWaalsContact C-N 3.25Å; V722-Y724 PolarHBondContact O-N 3.44Å
725	M	38.3	Very low	38.2	Very low	55 Å²	55	110.1 Å²	110.1	27%	0.271	56%	0.559	S	S	.	*	H	α-helix	trans	-94.2	-33.2	173.3	-73.7	-161.3	69.4	0	0	113.6	R328 E332 T721 V722 R723 G727	R328-M725 HydrophobicContact CG-CE 4.35Å; E332-M725 HydrophobicContact CG-CE 4.06Å; T721-M725 WeakPolarHBondContact O-CG 3.46Å; T721-M725 PolarHBondContact O-N 2.94Å; V722-M725 WeakPolarHBondContact O-CA 3.49Å; V722-M725 PolarHBondContact O-N 2.76Å; R723-M725 VanDerWaalsContact C-N 3.25Å; R723-M725 PolarHBondContact O-N 2.72Å; M725-G727 VanDerWaalsContact C-N 3.31Å; M725-G727 PolarHBondContact O-N 3.24Å
726	D	35.5	Very low	38.1	Very low	122 Å²	122	109.3 Å²	109.3	65%	0.652	56%	0.56	S	S	*	*	H	α-helix	trans	-76.3	-15.3	-180	-70.2	-32.8	0	0	0	113.7	V722 T728	V722-D726 WeakPolarHBondContact CG1-OD2 3.28Å; V722-D726 PolarHBondContact O-N 3.2Å; D726-T728 PolarHBondContact O-N 2.9Å
727	G	37.6	Very low	37.6	Very low	57 Å²	57	107.2 Å²	107.2	59%	0.588	55%	0.552	S	S	*	*			trans	74	19.8	162	0	0	0	0	0	116.1	R723 M725 K729	R723-G727 PolarHBondContact O-N 2.85Å; M725-G727 VanDerWaalsContact C-N 3.31Å; M725-G727 PolarHBondContact O-N 3.24Å; G727-K729 PolarHBondContact O-N 3.17Å
728	T	35.9	Very low	37.2	Very low	90 Å²	90	108.8 Å²	108.8	55%	0.552	57%	0.565	S	S	*	*			trans	-67.2	117.9	174.3	55.8	0	0	0	0	110.8	D726 D730	D726-T728 PolarHBondContact O-N 2.9Å; T728-D730 WeakPolarHBondContact CB-OD2 3.46Å; T728-D730 PolarHBondContact O-N 3.24Å; T728-D730 VanDerWaalsContact O-N 3.13Å; T728-D730 PolarHBondContact OG1-OD2 3.11Å
729	K	39.3	Very low	36.7	Very low	190 Å²	190	116.5 Å²	116.5	83%	0.826	59%	0.593	S	S	*	*			trans	-85.6	58.9	175.7	-72.3	-166.9	172.9	-166.3	0	111.3	G727	G727-K729 PolarHBondContact O-N 3.17Å
730	D	34.3	Very low	36.3	Very low	118 Å²	118	116 Å²	116	63%	0.631	59%	0.591	S	S	*	*			trans	-80.6	124	173.2	-61.4	-51.6	0	0	0	109.7	T728 C732	T728-D730 WeakPolarHBondContact CB-OD2 3.46Å; T728-D730 PolarHBondContact O-N 3.24Å; T728-D730 VanDerWaalsContact O-N 3.13Å; T728-D730 PolarHBondContact OG1-OD2 3.11Å; D730-C732 PolarHBondContact O-N 2.71Å
731	L	37.4	Very low	35.8	Very low	177 Å²	177	120.4 Å²	120.4	93%	0.927	61%	0.607	S	S	*	*	S	Bend	trans	-80.3	9.1	-168.4	-72.7	167.4	0	0	0	114.8
732	C	37.5	Very low	35.3	Very low	83 Å²	83	121.9 Å²	121.9	56%	0.561	63%	0.625	S	S	*	*			trans	-106.9	36.5	-177.8	-63.3	0	0	0	0	112.9	D730 S736	D730-C732 PolarHBondContact O-N 2.71Å; C732-S736 PolarHBondContact O-OG 2.84Å
733	F	34.1	Very low	35.2	Very low	113 Å²	113	128.9 Å²	128.9	50%	0.496	66%	0.655	S	S	.	*	S	Bend	trans	-76.6	-31	-178	-152.1	-86.6	0	0	0	113	L720 S736	L720-F733 HydrophobicContact CD2-CE1 4.45Å; L720-F733 HydrophobicContact CD2-CZ 3.7Å; F733-S736 PolarHBondContact O-N 3.34Å
734	E	36.3	Very low	35.1	Very low	145 Å²	145	123.2 Å²	123.2	68%	0.678	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-64.1	-45.5	175.7	-65.6	-67.4	127.8	0	0	111.5	S736 M737	E734-S736 PolarHBondContact O-N 2.98Å; E734-M737 PolarHBondContact O-N 2.68Å; E734-M737 VanDerWaalsContact O-N 3.14Å
735	D	33.1	Very low	34.9	Very low	127 Å²	127	120.5 Å²	120.5	68%	0.679	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-62.9	-16.8	179.8	-58.5	-48.9	0	0	0	113.3
736	S	34.4	Very low	35.1	Very low	71 Å²	71	124.7 Å²	124.7	50%	0.497	66%	0.659	S	S	.	*	G	3₁₀ helix	trans	-87.2	1	179.7	-60.9	0	0	0	0	114.2	C732 F733 E734	C732-S736 PolarHBondContact O-OG 2.84Å; F733-S736 PolarHBondContact O-N 3.34Å; E734-S736 PolarHBondContact O-N 2.98Å
737	M	30.2	Very low	35.1	Very low	128 Å²	128	123.7 Å²	123.7	63%	0.631	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-93.9	0.3	178.9	-67.4	-161.8	-69.1	0	0	114.6	E734 Y739	E734-M737 PolarHBondContact O-N 2.68Å; E734-M737 VanDerWaalsContact O-N 3.14Å; M737-Y739 PolarHBondContact O-N 3.35Å
738	V	32.1	Very low	35.2	Very low	120 Å²	120	128.2 Å²	128.2	73%	0.727	66%	0.655	S	S	*	*			trans	-91.7	90.8	172.6	-173.9	0	0	0	0	110.2
739	Y	32.6	Very low	35.5	Very low	205 Å²	205	132.2 Å²	132.2	80%	0.804	67%	0.668	S	S	*	*			trans	-91.8	105.6	162	-94	-101	0	0	0	109.3	M737	M737-Y739 PolarHBondContact O-N 3.35Å
740	E	30.3	Very low	35.6	Very low	123 Å²	123	130.7 Å²	130.7	58%	0.575	66%	0.664	S	S	*	*			trans	-72.2	135.4	161.6	-72.3	-163.1	122.3	0	0	109.4	K746	E740-K746 IonicContact OE1-NZ 2.72Å
741	F	29.5	Very low	36	Very low	178 Å²	178	131 Å²	131	78%	0.781	66%	0.664	S	S	*	*			trans	-70.8	142.9	173.1	-86.5	-102.6	0	0	0	110.7	E743 S744	F741-E743 PolarHBondContact O-N 2.7Å; F741-S744 VanDerWaalsContact O-CB 3.28Å; F741-S744 WeakPolarHBondContact O-CB 3.07Å; F741-S744 PolarHBondContact O-N 2.75Å
742	A	35.1	Very low	35.9	Very low	88 Å²	88	129.7 Å²	129.7	73%	0.727	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-5.9	-179.1	0	0	0	0	0	115
743	E	37.3	Very low	35.8	Very low	191 Å²	191	128.8 Å²	128.8	89%	0.893	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.7	19.9	174.2	-61.2	-174.8	156.4	0	0	112.3	F741	F741-E743 PolarHBondContact O-N 2.7Å
744	S	34	Very low	35.8	Very low	30 Å²	30	129.4 Å²	129.4	21%	0.21	68%	0.678	C	S	.	*			trans	-62.7	131.3	169.3	176.4	0	0	0	0	110.7	F741 K746 H747	F741-S744 VanDerWaalsContact O-CB 3.28Å; F741-S744 WeakPolarHBondContact O-CB 3.07Å; F741-S744 PolarHBondContact O-N 2.75Å; S744-K746 PolarHBondContact O-N 3.06Å; S744-H747 PolarHBondContact O-N 3.02Å
745	P	38.3	Very low	35.6	Very low	119 Å²	119	128.2 Å²	128.2	77%	0.773	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	-11.9	178.7	-28.4	35.8	0	0	0	115.8
746	K	41.4	Very low	35.4	Very low	144 Å²	144	130.3 Å²	130.3	63%	0.626	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-27.9	174.3	-63.4	-179.7	-175.5	170	0	113.7	E740 S744 Q748 Q749	E740-K746 IonicContact OE1-NZ 2.72Å; S744-K746 PolarHBondContact O-N 3.06Å; K746-Q748 VanDerWaalsContact C-N 3.29Å; K746-Q748 PolarHBondContact O-N 3.18Å; K746-Q749 PolarHBondContact O-N 3.37Å
747	H	37.3	Very low	35.1	Very low	100 Å²	100	133.7 Å²	133.7	46%	0.463	71%	0.707	S	S	.	*	G	3₁₀ helix	trans	-71.2	-28	-174.6	-162.7	50.6	0	0	0	112.2	S744 Q749 Q750	S744-H747 PolarHBondContact O-N 3.02Å; H747-Q749 PolarHBondContact O-N 3.4Å; H747-Q749 VanDerWaalsContact O-N 3.12Å; H747-Q750 PolarHBondContact O-N 2.69Å
748	Q	38.2	Very low	35	Very low	152 Å²	152	134.8 Å²	134.8	71%	0.71	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-64.4	-15.1	177.5	-151.8	69.3	49.2	0	0	113.9	K746	K746-Q748 VanDerWaalsContact C-N 3.29Å; K746-Q748 PolarHBondContact O-N 3.18Å
749	Q	43.4	Very low	34.7	Very low	174 Å²	174	137.6 Å²	137.6	81%	0.813	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-95	5.2	178.5	-69.5	-171.6	-18.2	0	0	114.3	K746 H747	K746-Q749 PolarHBondContact O-N 3.37Å; H747-Q749 PolarHBondContact O-N 3.4Å; H747-Q749 VanDerWaalsContact O-N 3.12Å
750	Q	41.2	Very low	34.4	Very low	159 Å²	159	132.7 Å²	132.7	74%	0.743	72%	0.723	S	S	*	*	S	Bend	trans	-108.8	7.3	-178.3	-97.7	-177.8	-10.1	0	0	115.1	H747	H747-Q750 PolarHBondContact O-N 2.69Å
751	I	42.4	Very low	34.3	Very low	125 Å²	125	132.7 Å²	132.7	64%	0.641	73%	0.734	S	S	*	*	S	Bend	trans	-103	-24.3	-176.6	-63.1	178.4	0	0	0	112.5
752	D	36	Very low	34	Very low	148 Å²	148	127.6 Å²	127.6	79%	0.791	73%	0.731	S	S	*	*	S	Bend	trans	-93	152.2	175.4	-76.5	-55.4	0	0	0	113.1
753	G	35.3	Very low	33.6	Very low	64 Å²	64	128.9 Å²	128.9	66%	0.66	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-71.2	168.1	-169.6	0	0	0	0	0	116.4
754	P	32.6	Very low	33.1	Very low	127 Å²	127	126.6 Å²	126.6	83%	0.825	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-78.5	130	-164.2	30	-35.7	0	0	0	114.3
755	P	32.3	Very low	32.8	Very low	120 Å²	120	128.9 Å²	128.9	78%	0.779	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-75.9	137.3	159.6	31.7	-31.7	0	0	0	110.3
756	Q	29.8	Very low	32.3	Very low	171 Å²	171	128.1 Å²	128.1	80%	0.799	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-72.8	133.9	177.6	-68.7	-176	-8.4	0	0	111.9	L758	Q756-L758 PolarHBondContact O-N 2.63Å
757	T	28.7	Very low	31.7	Very low	142 Å²	142	126.7 Å²	126.7	87%	0.871	76%	0.761	S	S	*	*			trans	-80.1	100.2	167	-48.8	0	0	0	0	110.1
758	L	26.9	Very low	31.2	Very low	150 Å²	150	127.7 Å²	127.7	79%	0.785	78%	0.779	S	S	*	*			trans	-104.1	143.2	163.3	-81.9	168.9	0	0	0	110.2	Q756	Q756-L758 PolarHBondContact O-N 2.63Å
759	M	26.5	Very low	30.7	Very low	180 Å²	180	123.7 Å²	123.7	89%	0.887	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-75.1	149	-175.1	-61.2	-171.2	76.4	0	0	112	P761	M759-P761 WeakPolarHBondContact O-CD 3.22Å
760	A	25.9	Very low	29.9	Very low	101 Å²	101	121.1 Å²	121.1	84%	0.835	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-73.4	135.1	-177.4	0	0	0	0	0	113.3
761	P	28.4	Very low	29.3	Very low	124 Å²	124	119.4 Å²	119.4	81%	0.805	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-91.8	150.5	142.8	34.9	-28.3	0	0	0	109.9	M759	M759-P761 WeakPolarHBondContact O-CD 3.22Å
762	G	23.8	Very low	28.5	Very low	70 Å²	70	123.1 Å²	123.1	72%	0.722	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-101.6	171.7	-178.1	0	0	0	0	0	114.9
763	S	26.2	Very low	28.3	Very low	116 Å²	116	121.4 Å²	121.4	81%	0.811	79%	0.787	S	S	*	*			trans	74.3	134	157.6	-54.5	0	0	0	0	118.9
764	T	26.5	Very low	29.3	Very low	143 Å²	143	122.9 Å²	122.9	88%	0.877	79%	0.785	S	S	*	*			trans	89.5	149.3	167.8	72.7	0	0	0	0	117.9
765	A	27.2	Very low	29.8	Very low	78 Å²	78	123 Å²	123	65%	0.645	79%	0.786	S	S	*	*			cis	-173.1	145	-36.1	0	0	0	0	0	109.5
766	S	27.4	Very low	29.8	Very low	103 Å²	103	125.8 Å²	125.8	72%	0.72	79%	0.786	S	S	*	*			trans	53.1	135.4	151.8	55.8	0	0	0	0	122.5
767	S	29.2	Very low	29.9	Very low	113 Å²	113	125.1 Å²	125.1	79%	0.79	79%	0.788	S	S	*	*			trans	63	151.3	153.5	48.5	0	0	0	0	118.2
768	S	27.2	Very low	30.2	Very low	122 Å²	122	124.7 Å²	124.7	85%	0.853	78%	0.78	S	S	*	*			cis	-165.8	161.4	-9.6	42.7	0	0	0	0	106.4
769	G	27.3	Very low	30.6	Very low	67 Å²	67	123.7 Å²	123.7	69%	0.691	77%	0.774	S	S	*	*			cis	165.1	-157.9	12.1	0	0	0	0	0	108.1
770	S	28.1	Very low	30.9	Very low	120 Å²	120	122.4 Å²	122.4	84%	0.839	77%	0.766	S	S	*	*			trans	67.3	80.8	166.6	-56.2	0	0	0	0	119.1
771	T	28.4	Very low	31.3	Very low	124 Å²	124	125.3 Å²	125.3	76%	0.761	77%	0.766	S	S	*	*				21.3	122.2	118.8	-46.9	0	0	0	0	119.5
772	F	25	Very low	31.4	Very low	203 Å²	203	122.8 Å²	122.8	89%	0.89	76%	0.763	S	S	*	*				-152.7	146.6	126.3	-133.8	-96.2	0	0	0	111
773	T	31.9	Very low	31.7	Very low	112 Å²	112	127.2 Å²	127.2	69%	0.687	77%	0.77	S	S	*	*			trans	-128.1	-176.6	178.2	63.8	0	0	0	0	109.7
774	P	56.4	Low	32.2	Very low	95 Å²	95	132.5 Å²	132.5	62%	0.617	77%	0.772	S	S	*	*				-107.2	-162	-117.3	38.2	-19.7	0	0	0	112.1	F776	P774-F776 HydrophobicContact CG-CD2 4.42Å
775	P	42.2	Very low	33.7	Very low	128 Å²	128	131.6 Å²	131.6	83%	0.831	77%	0.769	S	S	*	*			trans	-114.1	146.5	141	34.6	-28.9	0	0	0	112.2
776	F	32.7	Very low	34.3	Very low	180 Å²	180	132.4 Å²	132.4	79%	0.789	77%	0.77	S	S	*	*			trans	-104.8	152.1	162.4	-95.8	-101.6	0	0	0	108.7	P774	P774-F776 HydrophobicContact CG-CD2 4.42Å
777	D	31.4	Very low	34.8	Very low	157 Å²	157	139.7 Å²	139.7	84%	0.84	79%	0.792	S	S	*	*			trans	-161.5	117.7	137.4	-82.7	-40.8	0	0	0	103.5
778	D	35.5	Very low	35.1	Very low	132 Å²	132	141 Å²	141	71%	0.706	79%	0.792	S	S	*	*				59.7	139	67.6	-120.4	-17.4	0	0	0	111.4
779	I	34.3	Very low	35.5	Very low	130 Å²	130	142 Å²	142	67%	0.667	79%	0.789	S	S	*	*			cis	-156.3	129.2	44.7	-66.1	177.6	0	0	0	112.2
780	H	34.4	Very low	36	Very low	153 Å²	153	146.2 Å²	146.2	71%	0.708	79%	0.794	S	S	*	*			trans	60.9	169.5	150.6	-63.3	2.4	0	0	0	121.2
781	L	33.8	Very low	36.4	Very low	161 Å²	161	147.7 Å²	147.7	84%	0.843	79%	0.791	S	S	*	*			cis	-166	153.8	-30.9	-98	169.3	0	0	0	107.2
782	G	29.4	Very low	36.9	Very low	71 Å²	71	149.2 Å²	149.2	73%	0.732	79%	0.793	S	S	*	*			trans	163.7	78	167.6	0	0	0	0	0	120.9
783	N	31.4	Very low	37.7	Very low	163 Å²	163	145.6 Å²	145.6	87%	0.872	79%	0.787	S	S	*	*			trans	36.7	114	143.9	-67.7	-1.6	0	0	0	123.3
784	R	36.9	Very low	38.1	Very low	228 Å²	228	148 Å²	148	86%	0.86	79%	0.794	S	S	*	*			trans	-48	165.5	137.5	-103.4	-176.2	-175.7	-160.3	2.3	112.7
785	P	58.2	Low	36.7	Very low	123 Å²	123	152.1 Å²	152.1	80%	0.799	81%	0.808	S	S	*	*			cis	-143.5	172.9	45.3	41.2	-21.5	0	0	0	118.8
786	S	39.7	Very low	36.3	Very low	96 Å²	96	154.1 Å²	154.1	67%	0.671	81%	0.806	S	S	*	*			trans	-74.3	159.1	169.1	49.8	0	0	0	0	113.5
787	H	37.6	Very low	36.6	Very low	255 Å²	255	151.7 Å²	151.7	100%	1.181	81%	0.807	S	S	*	*			trans	-141.7	0	141.8	-149.1	-43.7	0	0	0	110.6

Retrieved 787 of 787 residues in 393.5 ms (Link to these results)

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