A0A077ZMG3_TRITR Loading...

Hist deacetyl domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZMG3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 211 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	50.8	Low	52.6	Low	155 Å²	155	102.5 Å²	102.5	76%	0.764	47%	0.469	S	S	*	.				0	118.3	0	-161.5	-178.9	-48.5	0	0	107.8	E5 L6 F9	M1-E5 WeakPolarHBondContact CA-OE2 3.41Å; M1-E5 HydrophobicContact CG-CB 3.5Å; M1-L6 HydrophobicContact CB-CD1 4.38Å; M1-L6 HydrophobicContact CG-CB 4.19Å; M1-L6 HydrophobicContact CG-CD1 4.34Å; M1-L6 HydrophobicContact CG-CG 4.46Å; M1-L6 HydrophobicContact SD-CB 3.82Å; M1-L6 HydrophobicContact SD-CD1 3.84Å; M1-L6 HydrophobicContact SD-CG 3.63Å; M1-F9 HydrophobicContact SD-CB 4.49Å
2	S	44	Very low	52.4	Low	55 Å²	55	99 Å²	99	39%	0.385	48%	0.482	S	S	.	.			trans	-68.7	164.5	177.4	80.5	0	0	0	0	110.9	E4 E5 L6	S2-E4 PolarHBondContact O-N 3.48Å; S2-E5 PolarHBondContact N-OE2 3.18Å; S2-E5 PolarHBondContact O-N 3.49Å; S2-E5 VanDerWaalsContact OG-CG 3.29Å; S2-E5 WeakPolarHBondContact OG-CG 3.45Å; S2-E5 PolarHBondContact OG-N 2.91Å; S2-E5 VanDerWaalsContact OG-N 3.09Å; S2-L6 WeakPolarHBondContact O-CB 3.5Å; S2-L6 PolarHBondContact O-N 3.26Å
3	R	48.4	Very low	53.1	Low	170 Å²	170	96.1 Å²	96.1	64%	0.642	46%	0.463	S	S	*	.	H	α-helix	trans	-56.2	-42.4	176.1	-178.9	-178.6	176.8	175.1	-1.2	111.5	L6 E7	R3-L6 PolarHBondContact O-N 3.48Å; R3-E7 WeakPolarHBondContact CG-OE1 3.33Å; R3-E7 IonicContact CZ-OE1 2.69Å; R3-E7 IonicContact NE-OE1 3.87Å; R3-E7 PolarHBondContact NE-OE1 2.73Å; R3-E7 IonicContact NH2-OE1 3.53Å; R3-E7 WeakPolarHBondContact O-CB 3.46Å; R3-E7 VanDerWaalsContact O-CG 3.29Å; R3-E7 WeakPolarHBondContact O-CG 3.35Å; R3-E7 PolarHBondContact O-N 2.85Å
4	E	50.1	Low	53.8	Low	153 Å²	153	96.4 Å²	96.4	72%	0.715	47%	0.469	S	S	*	.	H	α-helix	trans	-68.9	-36.9	178.6	-71.1	165.3	169.1	0	0	112.1	S2 R8	S2-E4 PolarHBondContact O-N 3.48Å; E4-R8 VanDerWaalsContact O-CB 3.3Å; E4-R8 WeakPolarHBondContact O-CB 3.38Å; E4-R8 PolarHBondContact O-N 2.85Å
5	E	50.7	Low	55.5	Low	111 Å²	111	90.3 Å²	90.3	52%	0.519	44%	0.44	S	S	.	.	H	α-helix	trans	-66.5	-39.8	174.7	-73.5	173	156.6	0	0	111.7	M1 S2 R8 F9	M1-E5 WeakPolarHBondContact CA-OE2 3.41Å; M1-E5 HydrophobicContact CG-CB 3.5Å; S2-E5 PolarHBondContact N-OE2 3.18Å; S2-E5 PolarHBondContact O-N 3.49Å; S2-E5 VanDerWaalsContact OG-CG 3.29Å; S2-E5 WeakPolarHBondContact OG-CG 3.45Å; S2-E5 PolarHBondContact OG-N 2.91Å; S2-E5 VanDerWaalsContact OG-N 3.09Å; E5-R8 PolarHBondContact O-N 3.14Å; E5-F9 VanDerWaalsContact O-CB 3.31Å; E5-F9 WeakPolarHBondContact O-CB 3.45Å; E5-F9 PolarHBondContact O-N 3.21Å
6	L	53.7	Low	57.5	Low	38 Å²	38	87.6 Å²	87.6	20%	0.199	44%	0.437	C	S	.	.	H	α-helix	trans	-73.5	-37.8	179.1	-143.8	143.8	0	0	0	111.2	M1 S2 R3 F9 C10 K45	M1-L6 HydrophobicContact CB-CD1 4.38Å; M1-L6 HydrophobicContact CG-CB 4.19Å; M1-L6 HydrophobicContact CG-CD1 4.34Å; M1-L6 HydrophobicContact CG-CG 4.46Å; M1-L6 HydrophobicContact SD-CB 3.82Å; M1-L6 HydrophobicContact SD-CD1 3.84Å; M1-L6 HydrophobicContact SD-CG 3.63Å; S2-L6 WeakPolarHBondContact O-CB 3.5Å; S2-L6 PolarHBondContact O-N 3.26Å; R3-L6 PolarHBondContact O-N 3.48Å; L6-F9 PolarHBondContact O-N 2.99Å; L6-C10 WeakPolarHBondContact O-CB 3.45Å; L6-C10 PolarHBondContact O-N 3.3Å; L6-C10 PolarHBondContact O-SG 2.88Å; L6-K45 VanDerWaalsContact CD1-O 3.3Å; L6-K45 WeakPolarHBondContact CD1-O 3.37Å; L6-K45 WeakPolarHBondContact CD2-O 3.28Å
7	E	53.2	Low	59.4	Low	63 Å²	63	82.5 Å²	82.5	29%	0.294	41%	0.411	S	S	.	.	H	α-helix	trans	-63.6	-46.9	170.1	-74	-176	-151.6	0	0	110.7	R3 F9 C10 D11 K66	R3-E7 WeakPolarHBondContact CG-OE1 3.33Å; R3-E7 IonicContact CZ-OE1 2.69Å; R3-E7 IonicContact NE-OE1 3.87Å; R3-E7 PolarHBondContact NE-OE1 2.73Å; R3-E7 IonicContact NH2-OE1 3.53Å; R3-E7 WeakPolarHBondContact O-CB 3.46Å; R3-E7 VanDerWaalsContact O-CG 3.29Å; R3-E7 WeakPolarHBondContact O-CG 3.35Å; R3-E7 PolarHBondContact O-N 2.85Å; E7-F9 PolarHBondContact O-N 2.67Å; E7-C10 CarbonylContact O-C 3.57Å; E7-C10 PolarHBondContact O-N 2.75Å; E7-D11 WeakPolarHBondContact O-CB 3.4Å; E7-D11 PolarHBondContact O-N 3.46Å; E7-K66 IonicContact OE2-NZ 3.74Å; E7-K66 PolarHBondContact OE2-NZ 3.16Å
8	R	55.1	Low	61.1	Low	206 Å²	206	77.9 Å²	77.9	78%	0.777	39%	0.389	S	S	*	.	H	α-helix	trans	-60.1	-42.7	173.2	-92.6	-177.7	169.7	166.8	-1.3	113.4	E4 E5 C10 D11 G12	E4-R8 VanDerWaalsContact O-CB 3.3Å; E4-R8 WeakPolarHBondContact O-CB 3.38Å; E4-R8 PolarHBondContact O-N 2.85Å; E5-R8 PolarHBondContact O-N 3.14Å; R8-C10 VanDerWaalsContact C-N 3.33Å; R8-D11 PolarHBondContact O-N 3.27Å; R8-G12 PolarHBondContact O-N 2.93Å
9	F	61.5	Low	62.7	Low	99 Å²	99	78.4 Å²	78.4	43%	0.434	39%	0.389	S	S	.	.	H	α-helix	trans	-60.6	-47	175.9	178.1	-95.7	0	0	0	109.6	M1 E5 L6 E7 D11 G12 Y13 L54	M1-F9 HydrophobicContact SD-CB 4.49Å; E5-F9 VanDerWaalsContact O-CB 3.31Å; E5-F9 WeakPolarHBondContact O-CB 3.45Å; E5-F9 PolarHBondContact O-N 3.21Å; L6-F9 PolarHBondContact O-N 2.99Å; E7-F9 PolarHBondContact O-N 2.67Å; F9-D11 VanDerWaalsContact C-N 3.34Å; F9-D11 PolarHBondContact O-N 3.3Å; F9-G12 CarbonylContact O-C 3.46Å; F9-G12 PolarHBondContact O-N 3.38Å; F9-Y13 HydrophobicContact CE1-CD2 4.04Å; F9-Y13 HydrophobicContact CE1-CG 4.22Å; F9-Y13 AromaticContact CZ-CD2 3.96Å; F9-Y13 HydrophobicContact CZ-CD2 3.96Å; F9-Y13 WeakPolarHBondContact O-CA 3.49Å; F9-Y13 WeakPolarHBondContact O-CB 3.24Å; F9-Y13 PolarHBondContact O-N 3.27Å; F9-L54 HydrophobicContact CE1-CD1 4.06Å; F9-L54 HydrophobicContact CE1-CD2 3.96Å; F9-L54 HydrophobicContact CZ-CD1 4.47Å
10	C	56.4	Low	64.1	Low	12 Å²	12	74.7 Å²	74.7	8%	0.081	37%	0.372	C	S	.	.	H	α-helix	trans	-63.5	-37.2	176.1	-67.8	0	0	0	0	112.9	L6 E7 R8 G12 Y13 V59	L6-C10 WeakPolarHBondContact O-CB 3.45Å; L6-C10 PolarHBondContact O-N 3.3Å; L6-C10 PolarHBondContact O-SG 2.88Å; E7-C10 CarbonylContact O-C 3.57Å; E7-C10 PolarHBondContact O-N 2.75Å; R8-C10 VanDerWaalsContact C-N 3.33Å; C10-G12 VanDerWaalsContact C-N 3.32Å; C10-Y13 PolarHBondContact O-N 2.87Å; C10-V59 HydrophobicContact CB-CG1 4.07Å; C10-V59 HydrophobicContact CB-CG2 4.27Å
11	D	55	Low	65.3	Low	65 Å²	65	71.1 Å²	71.1	35%	0.348	35%	0.354	S	S	.	.	H	α-helix	trans	-71.3	-28.2	179.8	-67.1	-12.7	0	0	0	111.9	E7 R8 F9 H67	E7-D11 WeakPolarHBondContact O-CB 3.4Å; E7-D11 PolarHBondContact O-N 3.46Å; R8-D11 PolarHBondContact O-N 3.27Å; F9-D11 VanDerWaalsContact C-N 3.34Å; F9-D11 PolarHBondContact O-N 3.3Å; D11-H67 IonicContact OD1-NE2 2.75Å
12	G	50.1	Low	67.3	Low	61 Å²	61	66.2 Å²	66.2	63%	0.629	33%	0.328	S	S	*	.	H	α-helix	trans	-95.8	-6.5	172.4	0	0	0	0	0	114.9	R8 F9 C10 D14	R8-G12 PolarHBondContact O-N 2.93Å; F9-G12 CarbonylContact O-C 3.46Å; F9-G12 PolarHBondContact O-N 3.38Å; C10-G12 VanDerWaalsContact C-N 3.32Å; G12-D14 PolarHBondContact O-N 3.43Å
13	Y	61.1	Low	69.6	Low	61 Å²	61	64.6 Å²	64.6	24%	0.239	32%	0.318	C	S	.	.			trans	-84.7	95.4	-179.7	177.6	-106.8	0	0	0	109.5	F9 C10 S15 L54 V59	F9-Y13 HydrophobicContact CE1-CD2 4.04Å; F9-Y13 HydrophobicContact CE1-CG 4.22Å; F9-Y13 AromaticContact CZ-CD2 3.96Å; F9-Y13 HydrophobicContact CZ-CD2 3.96Å; F9-Y13 WeakPolarHBondContact O-CA 3.49Å; F9-Y13 WeakPolarHBondContact O-CB 3.24Å; F9-Y13 PolarHBondContact O-N 3.27Å; C10-Y13 PolarHBondContact O-N 2.87Å; Y13-S15 VanDerWaalsContact C-N 3.3Å; Y13-S15 PolarHBondContact O-N 2.85Å; Y13-L54 HydrophobicContact CD1-CD1 4.35Å; Y13-L54 HydrophobicContact CD2-CD1 4.06Å; Y13-L54 HydrophobicContact CE1-CD1 3.73Å; Y13-L54 HydrophobicContact CE2-CD1 3.43Å; Y13-L54 VanDerWaalsContact CE2-CD1 3.43Å; Y13-L54 WeakPolarHBondContact OH-CD1 3.29Å; Y13-V59 HydrophobicContact CD1-CG1 4.45Å
14	D	63.5	Low	71.5	Confident	101 Å²	101	56.5 Å²	56.5	54%	0.54	29%	0.287	S	S	.	.			trans	-78.2	82.3	172.9	-76.9	-31.4	0	0	0	110.1	G12 K22	G12-D14 PolarHBondContact O-N 3.43Å; D14-K22 IonicContact OD1-NZ 2.67Å; D14-K22 PolarHBondContact OD1-NZ 2.77Å
15	S	79.5	Confident	73.4	Confident	4 Å²	4	51 Å²	51	3%	0.028	26%	0.262	C	S	.	.			trans	-71.8	151.9	168.8	99.7	0	0	0	0	110.2	Y13 V17 V18 E19	Y13-S15 VanDerWaalsContact C-N 3.3Å; Y13-S15 PolarHBondContact O-N 2.85Å; S15-V17 PolarHBondContact O-N 3.21Å; S15-V17 WeakPolarHBondContact OG-CB 3.45Å; S15-V17 PolarHBondContact OG-N 2.98Å; S15-V17 VanDerWaalsContact OG-N 3.11Å; S15-V18 PolarHBondContact O-N 3.33Å; S15-V18 PolarHBondContact OG-N 3.06Å; S15-V18 VanDerWaalsContact OG-N 3.09Å; S15-E19 PolarHBondContact O-N 2.85Å
16	A	87	Confident	75.3	Confident	48 Å²	48	48.5 Å²	48.5	40%	0.397	27%	0.267	S	S	.	.	H	α-helix	trans	-54.7	-27.6	172.7	0	0	0	0	0	112.4	A20 A34 V36	A16-A20 VanDerWaalsContact O-CB 3.24Å; A16-A20 WeakPolarHBondContact O-CB 3.27Å; A16-A20 PolarHBondContact O-N 2.99Å; A16-A34 HydrophobicContact CB-CB 4.4Å; A16-V36 HydrophobicContact CB-CG1 4.14Å; A16-V36 HydrophobicContact CB-CG2 4.21Å
17	V	89.3	Confident	77	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-73.2	-42.7	177.2	-161.6	0	0	0	0	111	S15 E19 A20 T21 A34 V36 N56 A60 F155 V203 Y205	S15-V17 PolarHBondContact O-N 3.21Å; S15-V17 WeakPolarHBondContact OG-CB 3.45Å; S15-V17 PolarHBondContact OG-N 2.98Å; S15-V17 VanDerWaalsContact OG-N 3.11Å; V17-E19 VanDerWaalsContact C-N 3.35Å; V17-A20 WeakPolarHBondContact O-CB 3.32Å; V17-A20 PolarHBondContact O-N 3.04Å; V17-T21 WeakPolarHBondContact O-CB 3.35Å; V17-T21 PolarHBondContact O-N 2.97Å; V17-T21 PolarHBondContact O-OG1 2.8Å; V17-A34 HydrophobicContact CG2-CB 4.48Å; V17-V36 HydrophobicContact CG2-CG2 4.12Å; V17-N56 HydrophobicContact CG2-CB 3.78Å; V17-A60 HydrophobicContact CB-CB 4.04Å; V17-A60 HydrophobicContact CG1-CB 3.62Å; V17-F155 HydrophobicContact CG1-CD1 4.16Å; V17-F155 HydrophobicContact CG1-CE1 3.85Å; V17-V203 HydrophobicContact CG1-CG1 4.23Å; V17-Y205 HydrophobicContact CB-CD2 4.39Å; V17-Y205 HydrophobicContact CG1-CD2 4.39Å; V17-Y205 HydrophobicContact CG2-CD2 3.19Å; V17-Y205 HydrophobicContact CG2-CE2 3.41Å; V17-Y205 VanDerWaalsContact CG2-CE2 3.41Å; V17-Y205 HydrophobicContact CG2-CG 4.22Å
18	V	90.4	Very high	78.7	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.006	31%	0.306	C	S	.	.	H	α-helix	trans	-62.6	-44.3	176.3	172.3	0	0	0	0	110.2	S15 T21 K22 V59 A60 Y63	S15-V18 PolarHBondContact O-N 3.33Å; S15-V18 PolarHBondContact OG-N 3.06Å; S15-V18 VanDerWaalsContact OG-N 3.09Å; V18-T21 WeakPolarHBondContact O-CB 3.32Å; V18-T21 PolarHBondContact O-N 3.27Å; V18-K22 HydrophobicContact CG1-CD 4.36Å; V18-K22 WeakPolarHBondContact O-CG 3.27Å; V18-K22 PolarHBondContact O-N 2.94Å; V18-V59 HydrophobicContact CG2-CG1 4.09Å; V18-A60 HydrophobicContact CG2-CB 4.13Å; V18-Y63 HydrophobicContact CG1-CD1 4.02Å; V18-Y63 HydrophobicContact CG1-CD2 4.4Å; V18-Y63 HydrophobicContact CG1-CE1 4.21Å; V18-Y63 HydrophobicContact CG1-CG 4.13Å
19	E	91.6	Very high	80	Confident	86 Å²	86	47.1 Å²	47.1	40%	0.402	28%	0.284	S	S	.	.	H	α-helix	trans	-63.9	-42.1	175.8	-72	-53.6	122.7	0	0	112.5	S15 V17 T21 K22 A23	S15-E19 PolarHBondContact O-N 2.85Å; V17-E19 VanDerWaalsContact C-N 3.35Å; E19-T21 VanDerWaalsContact C-N 3.3Å; E19-T21 PolarHBondContact O-N 3.35Å; E19-K22 PolarHBondContact O-N 3.32Å; E19-K22 WeakPolarHBondContact OE1-CD 3.37Å; E19-K22 WeakPolarHBondContact OE1-CE 3.3Å; E19-K22 IonicContact OE1-NZ 3.97Å; E19-K22 PolarHBondContact OE1-NZ 3.04Å; E19-A23 PolarHBondContact O-N 3.31Å
20	A	90	Very high	80.8	Confident	4 Å²	4	46.6 Å²	46.6	3%	0.033	30%	0.297	C	S	.	.	H	α-helix	trans	-58.5	-43	172.4	0	0	0	0	0	111.5	A16 V17 A23 V24 C32 A34 V203	A16-A20 VanDerWaalsContact O-CB 3.24Å; A16-A20 WeakPolarHBondContact O-CB 3.27Å; A16-A20 PolarHBondContact O-N 2.99Å; V17-A20 WeakPolarHBondContact O-CB 3.32Å; V17-A20 PolarHBondContact O-N 3.04Å; A20-A23 PolarHBondContact O-N 3.46Å; A20-V24 WeakPolarHBondContact O-CG2 3.41Å; A20-V24 PolarHBondContact O-N 2.91Å; A20-C32 HydrophobicContact CB-CB 3.82Å; A20-C32 WeakPolarHBondContact CB-SG 3.4Å; A20-A34 HydrophobicContact CB-CB 4.35Å; A20-V203 HydrophobicContact CB-CG1 3.74Å; A20-V203 HydrophobicContact CB-CG2 4.45Å
21	T	90.7	Very high	82	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-62.7	-46.2	175.1	-55.7	0	0	0	0	112.3	V17 V18 E19 A23 V24 I25 A64 L68 L153 F155	V17-T21 WeakPolarHBondContact O-CB 3.35Å; V17-T21 PolarHBondContact O-N 2.97Å; V17-T21 PolarHBondContact O-OG1 2.8Å; V18-T21 WeakPolarHBondContact O-CB 3.32Å; V18-T21 PolarHBondContact O-N 3.27Å; E19-T21 VanDerWaalsContact C-N 3.3Å; E19-T21 PolarHBondContact O-N 3.35Å; T21-A23 VanDerWaalsContact C-N 3.28Å; T21-A23 PolarHBondContact O-N 3.44Å; T21-V24 PolarHBondContact O-N 2.99Å; T21-I25 HydrophobicContact CG2-CG1 4.11Å; T21-I25 WeakPolarHBondContact O-CB 3.24Å; T21-I25 WeakPolarHBondContact O-CG1 3.46Å; T21-I25 PolarHBondContact O-N 3.24Å; T21-A64 HydrophobicContact CG2-CB 3.87Å; T21-L68 HydrophobicContact CG2-CD1 3.87Å; T21-L153 HydrophobicContact CG2-CD2 3.71Å; T21-F155 HydrophobicContact CG2-CZ 4.04Å; T21-F155 WeakPolarHBondContact OG1-CE1 3.21Å; T21-F155 WeakPolarHBondContact OG1-CZ 3.34Å
22	K	92.9	Very high	83.3	Confident	53 Å²	53	45.8 Å²	45.8	23%	0.23	30%	0.301	C	S	.	.	H	α-helix	trans	-58.1	-42.1	175.4	-71.2	170.6	-174.2	166.1	0	111	D14 V18 E19 G26 Y63 L68	D14-K22 IonicContact OD1-NZ 2.67Å; D14-K22 PolarHBondContact OD1-NZ 2.77Å; V18-K22 HydrophobicContact CG1-CD 4.36Å; V18-K22 WeakPolarHBondContact O-CG 3.27Å; V18-K22 PolarHBondContact O-N 2.94Å; E19-K22 PolarHBondContact O-N 3.32Å; E19-K22 WeakPolarHBondContact OE1-CD 3.37Å; E19-K22 WeakPolarHBondContact OE1-CE 3.3Å; E19-K22 IonicContact OE1-NZ 3.97Å; E19-K22 PolarHBondContact OE1-NZ 3.04Å; K22-G26 WeakPolarHBondContact O-CA 3.2Å; K22-G26 PolarHBondContact O-N 3.05Å; K22-Y63 HydrophobicContact CD-CE1 4.42Å; K22-Y63 VanDerWaalsContact CE-OH 3.24Å; K22-Y63 WeakPolarHBondContact CE-OH 3.34Å; K22-Y63 HydrophobicContact CG-CE1 4.1Å; K22-L68 HydrophobicContact CG-CD1 4.22Å
23	A	91.5	Very high	84.9	Confident	20 Å²	20	46.8 Å²	46.8	17%	0.165	29%	0.294	C	S	.	.	H	α-helix	trans	-64.1	-45.3	178.3	0	0	0	0	0	112.5	E19 A20 T21 G27 K28	E19-A23 PolarHBondContact O-N 3.31Å; A20-A23 PolarHBondContact O-N 3.46Å; T21-A23 VanDerWaalsContact C-N 3.28Å; T21-A23 PolarHBondContact O-N 3.44Å; A23-G27 PolarHBondContact O-N 2.84Å; A23-K28 HydrophobicContact CB-CB 4.3Å; A23-K28 HydrophobicContact CB-CD 4.34Å; A23-K28 WeakPolarHBondContact O-CB 3.22Å; A23-K28 PolarHBondContact O-N 2.88Å
24	V	88.1	Confident	86	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-69	-47.5	-179.2	170.3	0	0	0	0	111.6	A20 T21 G26 G27 C32 L153 R201 A202 V203	A20-V24 WeakPolarHBondContact O-CG2 3.41Å; A20-V24 PolarHBondContact O-N 2.91Å; T21-V24 PolarHBondContact O-N 2.99Å; V24-G26 VanDerWaalsContact C-N 3.33Å; V24-G26 PolarHBondContact O-N 3.42Å; V24-G27 PolarHBondContact O-N 2.83Å; V24-G27 VanDerWaalsContact O-N 3.14Å; V24-C32 HydrophobicContact CG2-CB 3.64Å; V24-L153 HydrophobicContact CG1-CD1 4.28Å; V24-R201 HydrophobicContact CG1-CB 3.4Å; V24-R201 VanDerWaalsContact CG1-CB 3.4Å; V24-R201 HydrophobicContact CG1-CG 4.42Å; V24-R201 VanDerWaalsContact O-CD 3.28Å; V24-R201 WeakPolarHBondContact O-CD 3.37Å; V24-R201 PolarHBondContact O-NH1 2.84Å; V24-A202 WeakPolarHBondContact CG2-O 3.34Å; V24-V203 HydrophobicContact CB-CG2 4.04Å; V24-V203 HydrophobicContact CG1-CG2 4.42Å; V24-V203 HydrophobicContact CG2-CG2 3.8Å
25	I	90	Very high	87	Confident	37 Å²	37	45.3 Å²	45.3	19%	0.19	29%	0.291	C	S	.	.	H	α-helix	trans	-69.5	-33.1	177.7	-60.3	-58	0	0	0	111.5	T21 G27 L68 V70 L153 R201	T21-I25 HydrophobicContact CG2-CG1 4.11Å; T21-I25 WeakPolarHBondContact O-CB 3.24Å; T21-I25 WeakPolarHBondContact O-CG1 3.46Å; T21-I25 PolarHBondContact O-N 3.24Å; I25-G27 PolarHBondContact O-N 2.77Å; I25-L68 HydrophobicContact CB-CB 4.43Å; I25-L68 HydrophobicContact CB-CD1 4.27Å; I25-L68 HydrophobicContact CG1-CD1 4.29Å; I25-L68 HydrophobicContact CG2-CB 3.9Å; I25-V70 HydrophobicContact CD1-CG2 3.54Å; I25-V70 HydrophobicContact CG1-CG2 3.92Å; I25-V70 HydrophobicContact CG2-CG2 4.47Å; I25-L153 HydrophobicContact CD1-CB 4.37Å; I25-L153 HydrophobicContact CD1-CD1 4.14Å; I25-L153 HydrophobicContact CD1-CD2 4.25Å; I25-L153 HydrophobicContact CD1-CG 4.5Å; I25-L153 HydrophobicContact CG1-CD2 4.46Å; I25-R201 VanDerWaalsContact C-NH1 3.31Å; I25-R201 PolarHBondContact O-NH1 3.31Å
26	G	91.4	Very high	87.1	Confident	60 Å²	60	46 Å²	46	62%	0.619	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-6.8	172.3	0	0	0	0	0	114.7	K22 V24 K28	K22-G26 WeakPolarHBondContact O-CA 3.2Å; K22-G26 PolarHBondContact O-N 3.05Å; V24-G26 VanDerWaalsContact C-N 3.33Å; V24-G26 PolarHBondContact O-N 3.42Å; G26-K28 VanDerWaalsContact C-N 3.33Å; G26-K28 PolarHBondContact O-N 3.41Å
27	G	88.2	Confident	86.9	Confident	50 Å²	50	54.1 Å²	54.1	52%	0.515	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	15	178.5	0	0	0	0	0	114.7	A23 V24 I25 C29	A23-G27 PolarHBondContact O-N 2.84Å; V24-G27 PolarHBondContact O-N 2.83Å; V24-G27 VanDerWaalsContact O-N 3.14Å; I25-G27 PolarHBondContact O-N 2.77Å; G27-C29 PolarHBondContact O-N 3.24Å
28	K	90.2	Very high	86.7	Confident	183 Å²	183	56.2 Å²	56.2	80%	0.796	33%	0.329	S	S	*	.	S	Bend	trans	-68.2	-28.1	173.7	-64.6	-177	-179.8	175.2	0	111.8	A23 G26	A23-K28 HydrophobicContact CB-CB 4.3Å; A23-K28 HydrophobicContact CB-CD 4.34Å; A23-K28 WeakPolarHBondContact O-CB 3.22Å; A23-K28 PolarHBondContact O-N 2.88Å; G26-K28 VanDerWaalsContact C-N 3.33Å; G26-K28 PolarHBondContact O-N 3.41Å
29	C	82.1	Confident	86.5	Confident	45 Å²	45	56.6 Å²	56.6	30%	0.304	33%	0.331	S	S	.	.			trans	-151.6	159.2	174.4	56.5	0	0	0	0	110.5	G27 G31	G27-C29 PolarHBondContact O-N 3.24Å; C29-G31 WeakPolarHBondContact CB-O 3.49Å; C29-G31 PolarHBondContact SG-O 2.86Å
30	A	77.5	Confident	86.3	Confident	87 Å²	87	52.7 Å²	52.7	72%	0.719	31%	0.314	S	S	*	.	S	Bend	trans	-79.7	-30.8	175.2	0	0	0	0	0	112.6	A202	A30-A202 PolarHBondContact O-N 2.95Å
31	G	82	Confident	86.1	Confident	27 Å²	27	52.9 Å²	52.9	28%	0.278	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	153.4	178.6	0	0	0	0	0	110.6	C29 A202	C29-G31 WeakPolarHBondContact CB-O 3.49Å; C29-G31 PolarHBondContact SG-O 2.86Å; G31-A202 VanDerWaalsContact CA-O 3.27Å; G31-A202 WeakPolarHBondContact CA-O 3.38Å
32	C	81.8	Confident	86	Confident	34 Å²	34	54 Å²	54	23%	0.23	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	151.4	171.7	-165.9	0	0	0	0	110.5	A20 V24 A202 A204	A20-C32 HydrophobicContact CB-CB 3.82Å; A20-C32 WeakPolarHBondContact CB-SG 3.4Å; V24-C32 HydrophobicContact CG2-CB 3.64Å; C32-A202 PolarHBondContact N-O 3.34Å; C32-A204 PolarHBondContact O-N 2.89Å
33	V	83.2	Confident	85.8	Confident	81 Å²	81	51.6 Å²	51.6	49%	0.491	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	115.2	175.4	163.8	0	0	0	0	107.6	L35 A204 Y206	V33-L35 HydrophobicContact CG1-CD2 4.25Å; V33-A204 WeakPolarHBondContact CA-O 3.5Å; V33-A204 HydrophobicContact CG2-CB 4.08Å; V33-Y206 HydrophobicContact CB-CD2 4.49Å; V33-Y206 HydrophobicContact CB-CE2 4.13Å; V33-Y206 HydrophobicContact CG1-CD2 3.39Å; V33-Y206 HydrophobicContact CG1-CE2 3.33Å; V33-Y206 HydrophobicContact CG2-CE2 3.78Å
34	A	85.1	Confident	85.5	Confident	6 Å²	6	53 Å²	53	5%	0.05	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	121.4	174.1	0	0	0	0	0	110	A16 V17 A20 V36 A204 Y205 Y206	A16-A34 HydrophobicContact CB-CB 4.4Å; V17-A34 HydrophobicContact CG2-CB 4.48Å; A20-A34 HydrophobicContact CB-CB 4.35Å; A34-V36 HydrophobicContact CB-CG2 3.64Å; A34-V36 WeakPolarHBondContact O-CG2 3.41Å; A34-A204 PolarHBondContact N-O 2.86Å; A34-Y205 HydrophobicContact CB-CD2 4.24Å; A34-Y206 PolarHBondContact O-N 3.48Å
35	L	84.3	Confident	85.2	Confident	125 Å²	125	58.5 Å²	58.5	65%	0.654	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.5	115.3	171.6	-58.5	-178.9	0	0	0	108.7	V33 Y206	V33-L35 HydrophobicContact CG1-CD2 4.25Å; L35-Y206 HydrophobicContact CD2-CD2 4.02Å; L35-Y206 HydrophobicContact CD2-CG 4.35Å
36	V	82.2	Confident	84.9	Confident	18 Å²	18	63.4 Å²	63.4	11%	0.109	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	145.2	-163.6	-144.1	0	0	0	0	112	A16 V17 A34 Y205 Y206	A16-V36 HydrophobicContact CB-CG1 4.14Å; A16-V36 HydrophobicContact CB-CG2 4.21Å; V17-V36 HydrophobicContact CG2-CG2 4.12Å; A34-V36 HydrophobicContact CB-CG2 3.64Å; A34-V36 WeakPolarHBondContact O-CG2 3.41Å; V36-Y205 HydrophobicContact CB-CD2 3.92Å; V36-Y205 HydrophobicContact CB-CE2 3.13Å; V36-Y205 HydrophobicContact CG1-CE2 3.87Å; V36-Y205 HydrophobicContact CG2-CD2 3.15Å; V36-Y205 HydrophobicContact CG2-CE2 2.94Å; V36-Y205 HydrophobicContact CG2-CG 4.37Å; V36-Y206 PolarHBondContact N-O 3.01Å
37	R	82.5	Confident	84.6	Confident	220 Å²	220	66 Å²	66	83%	0.83	36%	0.36	S	S	*	.	S	Bend	trans	-144.6	142	175.8	61.6	-179.8	-179.5	156	0.2	109.2
38	P	85.3	Confident	84.6	Confident	43 Å²	43	67.5 Å²	67.5	28%	0.279	36%	0.362	S	S	.	.	S	Bend	cis	-66.6	166	-6.5	29	-34.8	0	0	0	113.1	F51 I53 N56 Y205	P38-F51 VanDerWaalsContact CB-O 3.24Å; P38-F51 WeakPolarHBondContact CB-O 3.28Å; P38-I53 HydrophobicContact CG-CB 4.11Å; P38-I53 HydrophobicContact CG-CD1 4.12Å; P38-I53 HydrophobicContact CG-CG1 4.03Å; P38-N56 PolarHBondContact O-ND2 3.44Å; P38-Y205 PolarHBondContact O-OH 3.01Å
39	P	86.2	Confident	84.4	Confident	10 Å²	10	62 Å²	62	7%	0.065	34%	0.341	C	S	.	.			trans	-60.8	173.4	168.3	29	-35.7	0	0	0	111.4	F51 C52 A207 F209	P39-F51 HydrophobicContact CG-CB 3.65Å; P39-C52 VanDerWaalsContact O-CA 3.3Å; P39-C52 WeakPolarHBondContact O-CA 3.45Å; P39-C52 WeakPolarHBondContact O-CB 3.37Å; P39-A207 HydrophobicContact CB-CB 3.86Å; P39-F209 HydrophobicContact CB-CE1 3.81Å; P39-F209 HydrophobicContact CB-CE2 4.47Å; P39-F209 HydrophobicContact CB-CZ 3.75Å; P39-F209 HydrophobicContact CG-CD1 4.32Å; P39-F209 HydrophobicContact CG-CE1 3.74Å; P39-F209 HydrophobicContact CG-CZ 4.22Å
40	G	86.7	Confident	84.5	Confident	4 Å²	4	62.7 Å²	62.7	4%	0.041	36%	0.357	C	S	.	.			trans	-133.3	-21.9	-172.4	0	0	0	0	0	118.2	H42 A43 C52 L54 N55	G40-H42 VanDerWaalsContact C-N 3.26Å; G40-H42 PolarHBondContact O-N 3.3Å; G40-H42 VanDerWaalsContact O-N 3.16Å; G40-A43 WeakPolarHBondContact O-CB 3.4Å; G40-A43 PolarHBondContact O-N 3.43Å; G40-C52 VanDerWaalsContact C-SG 3.54Å; G40-C52 PolarHBondContact N-SG 3Å; G40-C52 VanDerWaalsContact N-SG 3.36Å; G40-L54 WeakPolarHBondContact CA-O 3.11Å; G40-N55 VanDerWaalsContact O-CA 3.31Å; G40-N55 WeakPolarHBondContact O-CA 3.43Å
41	H	87	Confident	84.9	Confident	8 Å²	8	64.9 Å²	64.9	4%	0.037	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-16.4	-166.1	72.8	159.6	0	0	0	115.2	D77 D79 H81 G83 G85 V86	H41-D77 VanDerWaalsContact CB-OD2 3.32Å; H41-D77 WeakPolarHBondContact CB-OD2 3.4Å; H41-D77 IonicContact CG-OD2 3.93Å; H41-D77 IonicContact ND1-OD1 3.33Å; H41-D77 IonicContact ND1-OD2 2.65Å; H41-D77 PolarHBondContact ND1-OD2 2.99Å; H41-D79 WeakPolarHBondContact CE1-CB 3.4Å; H41-D79 IonicContact CE1-OD1 2.91Å; H41-D79 PolarHBondContact CE1-OD1 2.89Å; H41-D79 IonicContact CE1-OD2 3.73Å; H41-D79 IonicContact NE2-OD1 3.39Å; H41-D79 IonicContact NE2-OD2 3.5Å; H41-H81 PolarHBondContact CE1-O 2.78Å; H41-G83 CarbonylContact O-C 3.31Å; H41-G83 VanDerWaalsContact O-C 3.31Å; H41-G85 WeakPolarHBondContact O-CA 3.34Å; H41-G85 PolarHBondContact O-N 3.39Å; H41-V86 HydrophobicContact CB-CG2 3.74Å; H41-V86 PolarHBondContact O-N 2.8Å
42	H	88.4	Confident	85.2	Confident	24 Å²	24	63.7 Å²	63.7	11%	0.111	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-17.8	172	-61	-50.7	0	0	0	113.7	G40 M44 N49 C52 H81 Y82 Q84	G40-H42 VanDerWaalsContact C-N 3.26Å; G40-H42 PolarHBondContact O-N 3.3Å; G40-H42 VanDerWaalsContact O-N 3.16Å; H42-M44 PolarHBondContact O-N 2.99Å; H42-N49 HydrophobicContact CB-CB 4.21Å; H42-N49 WeakPolarHBondContact CB-O 3.37Å; H42-C52 HydrophobicContact CB-CB 3.89Å; H42-C52 PolarHBondContact N-SG 3.46Å; H42-C52 VanDerWaalsContact N-SG 3.4Å; H42-H81 VanDerWaalsContact CE1-CB 3.49Å; H42-H81 WeakPolarHBondContact CE1-CB 3.05Å; H42-Y82 PolarHBondContact CE1-O 3.35Å; H42-Y82 PolarHBondContact ND1-O 2.96Å; H42-Q84 VanDerWaalsContact CA-OE1 3.3Å; H42-Q84 PolarHBondContact ND1-OE1 3.17Å
43	A	87.4	Confident	85.4	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.008	35%	0.354	C	S	.	.			trans	-69.3	119.4	-174.7	0	0	0	0	0	110.4	G40 C52 N55 G85	G40-A43 WeakPolarHBondContact O-CB 3.4Å; G40-A43 PolarHBondContact O-N 3.43Å; A43-C52 HydrophobicContact CB-CB 3.7Å; A43-N55 HydrophobicContact CB-CB 4.03Å; A43-N55 WeakPolarHBondContact O-CB 3.49Å; A43-N55 PolarHBondContact O-ND2 3.31Å; A43-G85 WeakPolarHBondContact O-CA 3.37Å
44	M	85.7	Confident	85.5	Confident	50 Å²	50	65.7 Å²	65.7	25%	0.246	34%	0.341	C	S	.	.			trans	-83.2	175.5	178.2	-68	-64.3	-71.2	0	0	110.3	H42 N46 E47 Q84 K88	H42-M44 PolarHBondContact O-N 2.99Å; M44-N46 PolarHBondContact O-N 3.22Å; M44-E47 HydrophobicContact CB-CB 4.12Å; M44-E47 PolarHBondContact N-O 2.86Å; M44-Q84 HydrophobicContact CG-CG 4.41Å; M44-Q84 HydrophobicContact SD-CB 4.47Å; M44-Q84 HydrophobicContact SD-CG 3.78Å; M44-K88 HydrophobicContact CE-CB 3.83Å; M44-K88 HydrophobicContact CE-CD 3.35Å; M44-K88 HydrophobicContact CE-CG 4.18Å; M44-K88 HydrophobicContact SD-CB 4.27Å; M44-K88 HydrophobicContact SD-CD 3.94Å
45	K	81.6	Confident	85.5	Confident	116 Å²	116	65.6 Å²	65.6	50%	0.504	34%	0.34	S	S	.	.	S	Bend	trans	-55.9	-37	-176.5	-176.5	178.1	179.2	-179.8	0	113.7	L6	L6-K45 VanDerWaalsContact CD1-O 3.3Å; L6-K45 WeakPolarHBondContact CD1-O 3.37Å; L6-K45 WeakPolarHBondContact CD2-O 3.28Å
46	N	84	Confident	85.7	Confident	140 Å²	140	59.8 Å²	59.8	75%	0.749	31%	0.31	S	S	*	.	S	Bend	trans	-140.7	21.5	-172.3	62.5	-51.2	0	0	0	112.3	M44	M44-N46 PolarHBondContact O-N 3.22Å
47	E	86	Confident	85.8	Confident	115 Å²	115	59 Å²	59	54%	0.537	31%	0.305	S	S	.	.			trans	-151.2	127.9	-173.8	176.3	-175.7	175	0	0	109.5	M44	M44-E47 HydrophobicContact CB-CB 4.12Å; M44-E47 PolarHBondContact N-O 2.86Å
48	S	88.2	Confident	86	Confident	81 Å²	81	48.6 Å²	48.6	57%	0.566	27%	0.266	S	S	*	.			trans	-77.4	142.3	167.7	56.2	0	0	0	0	109.9	C52	S48-C52 VanDerWaalsContact CA-O 3.28Å; S48-C52 WeakPolarHBondContact CA-O 3.41Å; S48-C52 WeakPolarHBondContact CB-O 3.31Å
49	N	86	Confident	86.1	Confident	66 Å²	66	46.8 Å²	46.8	35%	0.353	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-145.5	146.5	178.6	-163.1	-24.3	0	0	0	110.5	H42 F51 C52 Q84	H42-N49 HydrophobicContact CB-CB 4.21Å; H42-N49 WeakPolarHBondContact CB-O 3.37Å; N49-F51 PolarHBondContact O-N 3.09Å; N49-C52 PolarHBondContact N-O 3.22Å; N49-C52 VanDerWaalsContact N-O 3.08Å; N49-C52 WeakPolarHBondContact O-CA 3.29Å; N49-C52 WeakPolarHBondContact O-CB 3.35Å; N49-C52 PolarHBondContact O-N 3.11Å; N49-Q84 PolarHBondContact ND2-NE2 3.23Å
50	G	84.5	Confident	86.2	Confident	61 Å²	61	46.3 Å²	46.3	63%	0.629	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	-126.6	-169.1	0	0	0	0	0	110.8
51	F	85	Confident	86.3	Confident	133 Å²	133	46.1 Å²	46.1	58%	0.583	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	1.5	173.9	-55.1	-62	0	0	0	113.7	P38 P39 N49 F209	P38-F51 VanDerWaalsContact CB-O 3.24Å; P38-F51 WeakPolarHBondContact CB-O 3.28Å; P39-F51 HydrophobicContact CG-CB 3.65Å; N49-F51 PolarHBondContact O-N 3.09Å; F51-F209 HydrophobicContact CD2-CD1 4.46Å
52	C	87.7	Confident	86.3	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.007	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-94.5	115.5	-171.3	-57.4	0	0	0	0	111.7	P39 G40 H42 A43 S48 N49	P39-C52 VanDerWaalsContact O-CA 3.3Å; P39-C52 WeakPolarHBondContact O-CA 3.45Å; P39-C52 WeakPolarHBondContact O-CB 3.37Å; G40-C52 VanDerWaalsContact C-SG 3.54Å; G40-C52 PolarHBondContact N-SG 3Å; G40-C52 VanDerWaalsContact N-SG 3.36Å; H42-C52 HydrophobicContact CB-CB 3.89Å; H42-C52 PolarHBondContact N-SG 3.46Å; H42-C52 VanDerWaalsContact N-SG 3.4Å; A43-C52 HydrophobicContact CB-CB 3.7Å; S48-C52 VanDerWaalsContact CA-O 3.28Å; S48-C52 WeakPolarHBondContact CA-O 3.41Å; S48-C52 WeakPolarHBondContact CB-O 3.31Å; N49-C52 PolarHBondContact N-O 3.22Å; N49-C52 VanDerWaalsContact N-O 3.08Å; N49-C52 WeakPolarHBondContact O-CA 3.29Å; N49-C52 WeakPolarHBondContact O-CB 3.35Å; N49-C52 PolarHBondContact O-N 3.11Å
53	I	86	Confident	86.4	Confident	114 Å²	114	48.2 Å²	48.2	59%	0.585	26%	0.261	S	S	*	.	S	Bend	trans	-91.5	-39.5	173.7	-53.8	179.1	0	0	0	110.7	P38	P38-I53 HydrophobicContact CG-CB 4.11Å; P38-I53 HydrophobicContact CG-CD1 4.12Å; P38-I53 HydrophobicContact CG-CG1 4.03Å
54	L	85.3	Confident	86.5	Confident	43 Å²	43	48.2 Å²	48.2	23%	0.225	26%	0.261	C	S	.	.	S	Bend	trans	-132.7	135.2	-176.1	-64.6	174.1	0	0	0	110.1	F9 Y13 G40 N56	F9-L54 HydrophobicContact CE1-CD1 4.06Å; F9-L54 HydrophobicContact CE1-CD2 3.96Å; F9-L54 HydrophobicContact CZ-CD1 4.47Å; Y13-L54 HydrophobicContact CD1-CD1 4.35Å; Y13-L54 HydrophobicContact CD2-CD1 4.06Å; Y13-L54 HydrophobicContact CE1-CD1 3.73Å; Y13-L54 HydrophobicContact CE2-CD1 3.43Å; Y13-L54 VanDerWaalsContact CE2-CD1 3.43Å; Y13-L54 WeakPolarHBondContact OH-CD1 3.29Å; G40-L54 WeakPolarHBondContact CA-O 3.11Å; L54-N56 VanDerWaalsContact C-N 3.32Å; L54-N56 PolarHBondContact O-N 2.87Å
55	N	86	Confident	86.7	Confident	5 Å²	5	48.1 Å²	48.1	3%	0.027	26%	0.261	C	S	.	.			trans	-79.6	82.7	177.1	-176	-20	0	0	0	110.6	G40 A43 V57 G58 V59 G85	G40-N55 VanDerWaalsContact O-CA 3.31Å; G40-N55 WeakPolarHBondContact O-CA 3.43Å; A43-N55 HydrophobicContact CB-CB 4.03Å; A43-N55 WeakPolarHBondContact O-CB 3.49Å; A43-N55 PolarHBondContact O-ND2 3.31Å; N55-V57 VanDerWaalsContact C-N 3.34Å; N55-V57 PolarHBondContact O-N 2.99Å; N55-G58 PolarHBondContact O-N 3.1Å; N55-G58 WeakPolarHBondContact OD1-CA 3.04Å; N55-G58 PolarHBondContact OD1-N 3.19Å; N55-V59 WeakPolarHBondContact O-CG2 3.41Å; N55-V59 PolarHBondContact O-N 2.91Å; N55-G85 PolarHBondContact ND2-O 3.34Å
56	N	87.6	Confident	87.1	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.011	26%	0.259	C	S	.	.	H	α-helix	trans	-53.1	-47.4	-173.2	-66.3	-47.7	0	0	0	112.9	V17 P38 L54 A60 Y205	V17-N56 HydrophobicContact CG2-CB 3.78Å; P38-N56 PolarHBondContact O-ND2 3.44Å; L54-N56 VanDerWaalsContact C-N 3.32Å; L54-N56 PolarHBondContact O-N 2.87Å; N56-A60 WeakPolarHBondContact O-CB 3.14Å; N56-A60 PolarHBondContact O-N 2.88Å; N56-Y205 HydrophobicContact CB-CE2 3.94Å; N56-Y205 PolarHBondContact ND2-OH 3.28Å
57	V	85.8	Confident	87.5	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.018	24%	0.244	C	C	.	.	H	α-helix	trans	-69.6	-44.5	179.9	173.2	0	0	0	0	111.1	N55 V59 A60 A61 I75 F155 Y205	N55-V57 VanDerWaalsContact C-N 3.34Å; N55-V57 PolarHBondContact O-N 2.99Å; V57-V59 VanDerWaalsContact C-N 3.31Å; V57-V59 PolarHBondContact O-N 3.48Å; V57-A60 PolarHBondContact O-N 3.43Å; V57-A61 VanDerWaalsContact O-CB 3.27Å; V57-A61 WeakPolarHBondContact O-CB 3.48Å; V57-A61 PolarHBondContact O-N 3.09Å; V57-I75 HydrophobicContact CG1-CB 4.47Å; V57-I75 HydrophobicContact CG1-CD1 3.82Å; V57-I75 HydrophobicContact CG1-CG1 3.81Å; V57-I75 HydrophobicContact CG1-CG2 3.82Å; V57-F155 HydrophobicContact CG1-CB 3.65Å; V57-F155 HydrophobicContact CG1-CD1 4.41Å; V57-F155 HydrophobicContact CG1-CD2 4.31Å; V57-F155 HydrophobicContact CG1-CG 3.89Å; V57-Y205 HydrophobicContact CG2-CD1 4.34Å; V57-Y205 HydrophobicContact CG2-CG 4.44Å
58	G	85.3	Confident	87.8	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.9	-35.8	177.2	0	0	0	0	0	113.2	N55 S62	N55-G58 PolarHBondContact O-N 3.1Å; N55-G58 WeakPolarHBondContact OD1-CA 3.04Å; N55-G58 PolarHBondContact OD1-N 3.19Å; G58-S62 VanDerWaalsContact O-CB 3.29Å; G58-S62 WeakPolarHBondContact O-CB 3.42Å; G58-S62 PolarHBondContact O-N 3.43Å
59	V	87.3	Confident	88	Confident	5 Å²	5	40.6 Å²	40.6	3%	0.03	23%	0.227	C	C	.	.	H	α-helix	trans	-65.9	-50	172.1	172.8	0	0	0	0	110.4	C10 Y13 V18 N55 V57 A61 S62 Y63	C10-V59 HydrophobicContact CB-CG1 4.07Å; C10-V59 HydrophobicContact CB-CG2 4.27Å; Y13-V59 HydrophobicContact CD1-CG1 4.45Å; V18-V59 HydrophobicContact CG2-CG1 4.09Å; N55-V59 WeakPolarHBondContact O-CG2 3.41Å; N55-V59 PolarHBondContact O-N 2.91Å; V57-V59 VanDerWaalsContact C-N 3.31Å; V57-V59 PolarHBondContact O-N 3.48Å; V59-A61 PolarHBondContact O-N 2.8Å; V59-S62 PolarHBondContact O-N 3.49Å; V59-Y63 WeakPolarHBondContact O-CB 3.16Å; V59-Y63 PolarHBondContact O-N 2.83Å
60	A	89.4	Confident	88.2	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.4	-41	-179.1	0	0	0	0	0	112.7	V17 V18 N56 V57 Y63 A64 F155	V17-A60 HydrophobicContact CB-CB 4.04Å; V17-A60 HydrophobicContact CG1-CB 3.62Å; V18-A60 HydrophobicContact CG2-CB 4.13Å; N56-A60 WeakPolarHBondContact O-CB 3.14Å; N56-A60 PolarHBondContact O-N 2.88Å; V57-A60 PolarHBondContact O-N 3.43Å; A60-Y63 PolarHBondContact O-N 2.93Å; A60-A64 WeakPolarHBondContact O-CB 3.17Å; A60-A64 PolarHBondContact O-N 3.19Å; A60-F155 HydrophobicContact CB-CE1 3.69Å; A60-F155 HydrophobicContact CB-CZ 3.62Å
61	A	88.2	Confident	88.4	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.9	-48.1	174.5	0	0	0	0	0	111.7	V57 V59 Y63 A64 L65 V73 I75 F155	V57-A61 VanDerWaalsContact O-CB 3.27Å; V57-A61 WeakPolarHBondContact O-CB 3.48Å; V57-A61 PolarHBondContact O-N 3.09Å; V59-A61 PolarHBondContact O-N 2.8Å; A61-Y63 VanDerWaalsContact C-N 3.32Å; A61-Y63 PolarHBondContact O-N 3.34Å; A61-A64 PolarHBondContact O-N 2.62Å; A61-L65 WeakPolarHBondContact O-CB 3.46Å; A61-L65 VanDerWaalsContact O-CG 3.28Å; A61-L65 WeakPolarHBondContact O-CG 2.97Å; A61-L65 PolarHBondContact O-N 3.3Å; A61-V73 HydrophobicContact CB-CG1 3.94Å; A61-I75 HydrophobicContact CB-CD1 4.3Å; A61-F155 HydrophobicContact CB-CD2 4.22Å; A61-F155 HydrophobicContact CB-CE2 3.89Å
62	S	86.7	Confident	88.6	Confident	35 Å²	35	39.4 Å²	39.4	25%	0.245	20%	0.202	C	C	.	.	H	α-helix	trans	-59.8	-43.4	175.3	178.4	0	0	0	0	111.7	G58 V59 L65 K66	G58-S62 VanDerWaalsContact O-CB 3.29Å; G58-S62 WeakPolarHBondContact O-CB 3.42Å; G58-S62 PolarHBondContact O-N 3.43Å; V59-S62 PolarHBondContact O-N 3.49Å; S62-L65 PolarHBondContact O-N 2.87Å; S62-K66 WeakPolarHBondContact O-CB 3.41Å; S62-K66 WeakPolarHBondContact O-CG 3.14Å; S62-K66 PolarHBondContact O-N 3.35Å
63	Y	90.3	Very high	88.6	Confident	42 Å²	42	39.4 Å²	39.4	17%	0.165	20%	0.202	C	C	.	.	H	α-helix	trans	-62.9	-44.3	178.6	-172.2	-86.7	0	0	0	111.4	V18 K22 V59 A60 A61 L65 K66 H67 L68	V18-Y63 HydrophobicContact CG1-CD1 4.02Å; V18-Y63 HydrophobicContact CG1-CD2 4.4Å; V18-Y63 HydrophobicContact CG1-CE1 4.21Å; V18-Y63 HydrophobicContact CG1-CG 4.13Å; K22-Y63 HydrophobicContact CD-CE1 4.42Å; K22-Y63 VanDerWaalsContact CE-OH 3.24Å; K22-Y63 WeakPolarHBondContact CE-OH 3.34Å; K22-Y63 HydrophobicContact CG-CE1 4.1Å; V59-Y63 WeakPolarHBondContact O-CB 3.16Å; V59-Y63 PolarHBondContact O-N 2.83Å; A60-Y63 PolarHBondContact O-N 2.93Å; A61-Y63 VanDerWaalsContact C-N 3.32Å; A61-Y63 PolarHBondContact O-N 3.34Å; Y63-L65 PolarHBondContact O-N 3.49Å; Y63-K66 PolarHBondContact O-N 2.72Å; Y63-H67 HydrophobicContact CD1-CB 4.43Å; Y63-H67 AromaticContact CD2-CD2 3.51Å; Y63-H67 HydrophobicContact CE1-CB 4.16Å; Y63-H67 HydrophobicContact CE2-CB 4.45Å; Y63-H67 AromaticContact CE2-CD2 3.7Å; Y63-H67 AromaticContact CG-CD2 3.94Å; Y63-H67 WeakPolarHBondContact O-CB 3.4Å; Y63-H67 PolarHBondContact O-N 3.25Å; Y63-L68 HydrophobicContact CD1-CD1 3.94Å; Y63-L68 HydrophobicContact CD1-CG 4.02Å; Y63-L68 HydrophobicContact CE1-CD1 4.01Å; Y63-L68 HydrophobicContact CE1-CD2 3.96Å; Y63-L68 HydrophobicContact CE1-CG 3.9Å
64	A	90.3	Very high	88.6	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59.2	-48.1	177.4	0	0	0	0	0	112.1	T21 A60 A61 L68 G69 V70 L153	T21-A64 HydrophobicContact CG2-CB 3.87Å; A60-A64 WeakPolarHBondContact O-CB 3.17Å; A60-A64 PolarHBondContact O-N 3.19Å; A61-A64 PolarHBondContact O-N 2.62Å; A64-L68 CarbonylContact O-C 3.47Å; A64-L68 WeakPolarHBondContact O-CA 3.02Å; A64-L68 PolarHBondContact O-N 2.84Å; A64-G69 PolarHBondContact O-N 3.42Å; A64-V70 HydrophobicContact CB-CB 4.08Å; A64-V70 HydrophobicContact CB-CG1 4.47Å; A64-V70 HydrophobicContact CB-CG2 3.93Å; A64-V70 PolarHBondContact O-N 2.77Å; A64-L153 HydrophobicContact CB-CD2 3.85Å
65	L	89.1	Confident	88.7	Confident	49 Å²	49	32 Å²	32	26%	0.257	16%	0.163	S	C	.	.	H	α-helix	trans	-64	-40.8	179.8	-70.3	168	0	0	0	112.2	A61 S62 Y63 V70 V73 N92	A61-L65 WeakPolarHBondContact O-CB 3.46Å; A61-L65 VanDerWaalsContact O-CG 3.28Å; A61-L65 WeakPolarHBondContact O-CG 2.97Å; A61-L65 PolarHBondContact O-N 3.3Å; S62-L65 PolarHBondContact O-N 2.87Å; Y63-L65 PolarHBondContact O-N 3.49Å; L65-V70 HydrophobicContact CD2-CG1 4.29Å; L65-V73 HydrophobicContact CD1-CG2 4.34Å; L65-V73 HydrophobicContact CD2-CG2 3.9Å; L65-V73 HydrophobicContact CG-CG2 3.9Å; L65-N92 HydrophobicContact CD1-CB 4.45Å
66	K	90.9	Very high	88.8	Confident	102 Å²	102	31.7 Å²	31.7	44%	0.443	16%	0.162	S	C	.	.	H	α-helix	trans	-81.6	-38.3	-176.5	-71.3	-176.6	179.8	-172.7	0	113.7	E7 S62 Y63	E7-K66 IonicContact OE2-NZ 3.74Å; E7-K66 PolarHBondContact OE2-NZ 3.16Å; S62-K66 WeakPolarHBondContact O-CB 3.41Å; S62-K66 WeakPolarHBondContact O-CG 3.14Å; S62-K66 PolarHBondContact O-N 3.35Å; Y63-K66 PolarHBondContact O-N 2.72Å
67	H	93	Very high	88.7	Confident	95 Å²	95	31.7 Å²	31.7	44%	0.44	16%	0.162	S	C	.	.	H	α-helix	trans	-120.8	-20.6	-164.5	-55.7	-64.1	0	0	0	114.7	D11 Y63	D11-H67 IonicContact OD1-NE2 2.75Å; Y63-H67 HydrophobicContact CD1-CB 4.43Å; Y63-H67 AromaticContact CD2-CD2 3.51Å; Y63-H67 HydrophobicContact CE1-CB 4.16Å; Y63-H67 HydrophobicContact CE2-CB 4.45Å; Y63-H67 AromaticContact CE2-CD2 3.7Å; Y63-H67 AromaticContact CG-CD2 3.94Å; Y63-H67 WeakPolarHBondContact O-CB 3.4Å; Y63-H67 PolarHBondContact O-N 3.25Å
68	L	92.1	Very high	88.7	Confident	48 Å²	48	31.6 Å²	31.6	25%	0.251	16%	0.161	S	C	.	.	S	Bend	trans	-109.6	7.1	-174	-54.6	-179	0	0	0	113.4	T21 K22 I25 Y63 A64 V70	T21-L68 HydrophobicContact CG2-CD1 3.87Å; K22-L68 HydrophobicContact CG-CD1 4.22Å; I25-L68 HydrophobicContact CB-CB 4.43Å; I25-L68 HydrophobicContact CB-CD1 4.27Å; I25-L68 HydrophobicContact CG1-CD1 4.29Å; I25-L68 HydrophobicContact CG2-CB 3.9Å; Y63-L68 HydrophobicContact CD1-CD1 3.94Å; Y63-L68 HydrophobicContact CD1-CG 4.02Å; Y63-L68 HydrophobicContact CE1-CD1 4.01Å; Y63-L68 HydrophobicContact CE1-CD2 3.96Å; Y63-L68 HydrophobicContact CE1-CG 3.9Å; A64-L68 CarbonylContact O-C 3.47Å; A64-L68 WeakPolarHBondContact O-CA 3.02Å; A64-L68 PolarHBondContact O-N 2.84Å; L68-V70 HydrophobicContact CB-CG2 4.5Å; L68-V70 PolarHBondContact O-N 3.36Å
69	G	91.1	Very high	88.8	Confident	48 Å²	48	31.7 Å²	31.7	50%	0.495	16%	0.162	S	C	.	.			trans	75.6	3.3	175.5	0	0	0	0	0	115.2	A64 K71	A64-G69 PolarHBondContact O-N 3.42Å; G69-K71 WeakPolarHBondContact O-CE 3.38Å
70	V	90.5	Very high	88.7	Confident	9 Å²	9	31.9 Å²	31.9	6%	0.055	16%	0.163	C	C	.	.			trans	-61.1	138	174.4	176.1	0	0	0	0	109.6	I25 A64 L65 L68 V73 D152 L153	I25-V70 HydrophobicContact CD1-CG2 3.54Å; I25-V70 HydrophobicContact CG1-CG2 3.92Å; I25-V70 HydrophobicContact CG2-CG2 4.47Å; A64-V70 HydrophobicContact CB-CB 4.08Å; A64-V70 HydrophobicContact CB-CG1 4.47Å; A64-V70 HydrophobicContact CB-CG2 3.93Å; A64-V70 PolarHBondContact O-N 2.77Å; L65-V70 HydrophobicContact CD2-CG1 4.29Å; L68-V70 HydrophobicContact CB-CG2 4.5Å; L68-V70 PolarHBondContact O-N 3.36Å; V70-V73 HydrophobicContact CG1-CG2 3.57Å; V70-D152 HydrophobicContact CG1-CB 4.2Å; V70-L153 HydrophobicContact CG1-CB 3.99Å; V70-L153 HydrophobicContact CG2-CD2 4.46Å
71	K	89.2	Confident	88.4	Confident	157 Å²	157	34.8 Å²	34.8	68%	0.683	18%	0.176	S	C	*	.			trans	-108.1	-39.1	-177.6	-56.4	-57.1	179.1	-171.7	0	112.6	G69 D152	G69-K71 WeakPolarHBondContact O-CE 3.38Å; K71-D152 WeakPolarHBondContact CA-OD2 3.22Å; K71-D152 VanDerWaalsContact CB-OD2 3.32Å; K71-D152 WeakPolarHBondContact CB-OD2 3.26Å; K71-D152 PolarHBondContact N-OD2 3.12Å
72	K	87.9	Confident	88.1	Confident	70 Å²	70	36.1 Å²	36.1	30%	0.304	18%	0.182	S	C	.	.			trans	-128.1	123.8	179.8	-68.1	-174	-67.7	170.1	0	110.5	Y149 Q150 D152 L153	K72-Y149 HydrophobicContact CB-CE1 4.06Å; K72-Y149 PolarHBondContact NZ-O 3.39Å; K72-Q150 WeakPolarHBondContact CE-O 3.48Å; K72-Q150 PolarHBondContact NZ-O 2.86Å; K72-D152 PolarHBondContact N-OD2 2.78Å; K72-D152 PolarHBondContact O-N 3.48Å; K72-L153 PolarHBondContact O-N 3.08Å
73	V	87.9	Confident	88	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	131.7	175.4	175.1	0	0	0	0	108.7	A61 L65 V70 I75 A93 Q94 Y149 L153 F155	A61-V73 HydrophobicContact CB-CG1 3.94Å; L65-V73 HydrophobicContact CD1-CG2 4.34Å; L65-V73 HydrophobicContact CD2-CG2 3.9Å; L65-V73 HydrophobicContact CG-CG2 3.9Å; V70-V73 HydrophobicContact CG1-CG2 3.57Å; V73-I75 HydrophobicContact CG1-CG1 4.08Å; V73-A93 HydrophobicContact CB-CB 3.95Å; V73-A93 HydrophobicContact CG1-CB 4.16Å; V73-A93 VanDerWaalsContact O-CA 3.31Å; V73-A93 WeakPolarHBondContact O-CA 3.28Å; V73-A93 WeakPolarHBondContact O-CB 3.34Å; V73-Q94 PolarHBondContact O-N 3.02Å; V73-Y149 WeakPolarHBondContact O-CE1 3.26Å; V73-L153 WeakPolarHBondContact CA-O 3.07Å; V73-L153 HydrophobicContact CG2-CB 4.47Å; V73-F155 HydrophobicContact CG1-CD2 3.59Å; V73-F155 HydrophobicContact CG1-CE2 3.89Å
74	L	87.2	Confident	87.7	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	136.2	167.6	175.2	65.5	0	0	0	108.9	I76 Q94 A146 Y149 S151 L153 V154 F155	L74-I76 HydrophobicContact CD2-CD1 4.18Å; L74-I76 HydrophobicContact CD2-CG1 4.28Å; L74-I76 HydrophobicContact CG-CG1 4.18Å; L74-Q94 CarbonylContact C-O 3.6Å; L74-Q94 WeakPolarHBondContact CA-O 3.12Å; L74-Q94 HydrophobicContact CD1-CB 3.89Å; L74-Q94 HydrophobicContact CD1-CG 3.85Å; L74-A146 HydrophobicContact CD2-CB 3.57Å; L74-Y149 HydrophobicContact CB-CD1 4.24Å; L74-Y149 HydrophobicContact CB-CE1 4.36Å; L74-S151 WeakPolarHBondContact CB-OG 3.45Å; L74-L153 PolarHBondContact N-O 2.9Å; L74-V154 HydrophobicContact CB-CG1 4.49Å; L74-V154 HydrophobicContact CB-CG2 4.25Å; L74-V154 HydrophobicContact CD2-CG1 4.36Å; L74-V154 HydrophobicContact CD2-CG2 4.25Å; L74-V154 HydrophobicContact CG-CG1 4.39Å; L74-V154 CarbonylContact O-C 3.52Å; L74-V154 VanDerWaalsContact O-CA 3.28Å; L74-V154 WeakPolarHBondContact O-CA 3.17Å; L74-F155 PolarHBondContact O-N 3.49Å
75	I	87.5	Confident	87.4	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	124.1	175.1	-62.2	163	0	0	0	107.8	V57 A61 V73 V86 N90 A93 Q94 D95 C96 F155	V57-I75 HydrophobicContact CG1-CB 4.47Å; V57-I75 HydrophobicContact CG1-CD1 3.82Å; V57-I75 HydrophobicContact CG1-CG1 3.81Å; V57-I75 HydrophobicContact CG1-CG2 3.82Å; A61-I75 HydrophobicContact CB-CD1 4.3Å; V73-I75 HydrophobicContact CG1-CG1 4.08Å; I75-V86 HydrophobicContact CB-CG1 4.38Å; I75-V86 HydrophobicContact CD1-CG1 4.12Å; I75-V86 HydrophobicContact CG2-CG1 3.78Å; I75-N90 WeakPolarHBondContact CD1-ND2 3.12Å; I75-A93 HydrophobicContact CD1-CB 4.12Å; I75-Q94 PolarHBondContact N-O 3.37Å; I75-D95 HydrophobicContact CB-CB 4.14Å; I75-D95 CarbonylContact O-C 3.57Å; I75-D95 WeakPolarHBondContact O-CA 2.89Å; I75-C96 PolarHBondContact O-N 2.94Å; I75-F155 CarbonylContact C-O 3.52Å; I75-F155 WeakPolarHBondContact CA-O 3.39Å; I75-F155 HydrophobicContact CG1-CB 4.15Å; I75-F155 HydrophobicContact CG1-CD2 4.41Å
76	I	86.9	Confident	87.1	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.7	174.9	-60.2	166.1	0	0	0	106.8	L74 F138 I142 V154 F155 V156 S157 F186	L74-I76 HydrophobicContact CD2-CD1 4.18Å; L74-I76 HydrophobicContact CD2-CG1 4.28Å; L74-I76 HydrophobicContact CG-CG1 4.18Å; I76-F138 HydrophobicContact CG2-CE1 4.13Å; I76-F138 HydrophobicContact CG2-CZ 3.79Å; I76-I142 HydrophobicContact CD1-CG2 3.66Å; I76-I142 HydrophobicContact CG1-CG2 4Å; I76-I142 HydrophobicContact CG2-CD1 4.19Å; I76-I142 HydrophobicContact CG2-CG2 4.27Å; I76-V154 HydrophobicContact CD1-CG1 3.85Å; I76-V154 HydrophobicContact CG1-CG1 4.33Å; I76-F155 PolarHBondContact N-O 2.83Å; I76-V156 HydrophobicContact CB-CG2 4.5Å; I76-V156 CarbonylContact O-C 3.57Å; I76-V156 VanDerWaalsContact O-CA 3.26Å; I76-V156 WeakPolarHBondContact O-CA 3.3Å; I76-S157 PolarHBondContact O-N 3.09Å; I76-F186 HydrophobicContact CD1-CD1 4.2Å; I76-F186 HydrophobicContact CD1-CE1 3.34Å; I76-F186 HydrophobicContact CD1-CE2 4.07Å; I76-F186 HydrophobicContact CD1-CZ 3.25Å
77	D	86.6	Confident	86.7	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	100.9	-179.7	-164.1	-11.9	0	0	0	109.4	H41 D79 C96 S97 F98 S157	H41-D77 VanDerWaalsContact CB-OD2 3.32Å; H41-D77 WeakPolarHBondContact CB-OD2 3.4Å; H41-D77 IonicContact CG-OD2 3.93Å; H41-D77 IonicContact ND1-OD1 3.33Å; H41-D77 IonicContact ND1-OD2 2.65Å; H41-D77 PolarHBondContact ND1-OD2 2.99Å; D77-D79 WeakPolarHBondContact OD1-CB 3.32Å; D77-D79 PolarHBondContact OD1-N 2.91Å; D77-C96 PolarHBondContact N-O 3.32Å; D77-S97 CarbonylContact O-C 3.51Å; D77-S97 WeakPolarHBondContact O-CA 3.47Å; D77-F98 WeakPolarHBondContact O-CD2 3.5Å; D77-F98 PolarHBondContact O-N 2.86Å; D77-F98 VanDerWaalsContact O-N 3.08Å; D77-S157 VanDerWaalsContact CG-CB 3.44Å; D77-S157 VanDerWaalsContact OD1-CB 3.3Å; D77-S157 WeakPolarHBondContact OD1-CB 3.06Å
78	W	86	Confident	85.9	Confident	1 Å²	1	27 Å²	27	0%	0.004	14%	0.136	C	C	.	.			trans	-95.3	3.6	177.3	68.8	55.2	0	0	0	113.3	V80 F98 F138 V156 S157 A158 G159 F178 Q181	W78-V80 PolarHBondContact O-N 3.47Å; W78-F98 HydrophobicContact CB-CD2 3.78Å; W78-F98 HydrophobicContact CB-CE2 3.81Å; W78-F98 HydrophobicContact CB-CG 4.25Å; W78-F98 HydrophobicContact CB-CZ 4.43Å; W78-F138 HydrophobicContact CB-CE2 4.4Å; W78-F138 AromaticContact CE3-CE2 3.9Å; W78-F138 HydrophobicContact CE3-CE2 3.9Å; W78-F138 AromaticContact CE3-CZ 3.51Å; W78-F138 HydrophobicContact CE3-CZ 3.51Å; W78-F138 HydrophobicContact CZ3-CE2 4.48Å; W78-F138 AromaticContact CZ3-CZ 3.93Å; W78-F138 HydrophobicContact CZ3-CZ 3.93Å; W78-V156 HydrophobicContact CD2-CG1 4.26Å; W78-V156 HydrophobicContact CE3-CG1 3.56Å; W78-V156 HydrophobicContact CH2-CG1 3.79Å; W78-V156 HydrophobicContact CZ2-CG1 4.4Å; W78-V156 HydrophobicContact CZ3-CG1 3.31Å; W78-S157 PolarHBondContact N-O 3.08Å; W78-A158 HydrophobicContact CD2-CB 4.46Å; W78-A158 HydrophobicContact CH2-CB 3.97Å; W78-A158 HydrophobicContact CZ2-CB 3.28Å; W78-G159 VanDerWaalsContact CD1-O 3.26Å; W78-G159 PolarHBondContact NE1-O 3.02Å; W78-F178 AromaticContact CZ2-CD1 3.99Å; W78-F178 HydrophobicContact CZ2-CD1 3.99Å; W78-F178 AromaticContact NE1-CD1 3.8Å; W78-F178 AromaticContact NE1-CE1 3.66Å; W78-Q181 HydrophobicContact CE3-CB 4.24Å; W78-Q181 HydrophobicContact CH2-CB 3.79Å; W78-Q181 WeakPolarHBondContact CH2-O 3.41Å; W78-Q181 HydrophobicContact CZ3-CB 3.64Å; W78-Q181 WeakPolarHBondContact CZ3-O 3.48Å
79	D	86.9	Confident	84.9	Confident	3 Å²	3	28.5 Å²	28.5	2%	0.016	14%	0.138	C	C	.	.			trans	-55	138.7	172.5	-166.5	-71.6	0	0	0	109.9	H41 D77 H81 L99 G159 F209	H41-D79 WeakPolarHBondContact CE1-CB 3.4Å; H41-D79 IonicContact CE1-OD1 2.91Å; H41-D79 PolarHBondContact CE1-OD1 2.89Å; H41-D79 IonicContact CE1-OD2 3.73Å; H41-D79 IonicContact NE2-OD1 3.39Å; H41-D79 IonicContact NE2-OD2 3.5Å; D77-D79 WeakPolarHBondContact OD1-CB 3.32Å; D77-D79 PolarHBondContact OD1-N 2.91Å; D79-H81 PolarHBondContact O-N 3Å; D79-H81 WeakPolarHBondContact OD1-CB 3.29Å; D79-H81 IonicContact OD1-CG 3.5Å; D79-H81 PolarHBondContact OD1-N 3.47Å; D79-H81 IonicContact OD1-ND1 2.72Å; D79-H81 PolarHBondContact OD1-ND1 2.79Å; D79-L99 VanDerWaalsContact O-CD2 3.32Å; D79-L99 WeakPolarHBondContact O-CD2 3.27Å; D79-G159 WeakPolarHBondContact OD2-CA 3.46Å; D79-F209 WeakPolarHBondContact OD2-CE2 3.43Å; D79-F209 WeakPolarHBondContact OD2-CZ 3.08Å
80	V	84.3	Confident	83.4	Confident	8 Å²	8	26.9 Å²	26.9	5%	0.048	12%	0.118	C	C	.	.	S	Bend	trans	-71.4	-14.7	-176.8	-54.2	0	0	0	0	112.8	W78 L99 P100 Y134 D161 A162 V171	W78-V80 PolarHBondContact O-N 3.47Å; V80-L99 VanDerWaalsContact C-CD2 3.49Å; V80-L99 WeakPolarHBondContact O-CD2 3.42Å; V80-P100 WeakPolarHBondContact O-CD 3.33Å; V80-Y134 WeakPolarHBondContact CG1-OH 3.33Å; V80-D161 HydrophobicContact CG2-CB 3.93Å; V80-D161 WeakPolarHBondContact CG2-OD1 2.83Å; V80-D161 WeakPolarHBondContact CG2-OD2 3.41Å; V80-D161 PolarHBondContact N-OD1 3.06Å; V80-A162 HydrophobicContact CG1-CB 3.57Å; V80-V171 HydrophobicContact CG1-CG2 3.88Å
81	H	83.9	Confident	81.6	Confident	61 Å²	61	27.5 Å²	27.5	28%	0.282	13%	0.126	S	C	.	.	S	Bend	trans	-102.3	141.9	-178	-56.2	95.4	0	0	0	112.4	H41 H42 D79 G83 L99 D161	H41-H81 PolarHBondContact CE1-O 2.78Å; H42-H81 VanDerWaalsContact CE1-CB 3.49Å; H42-H81 WeakPolarHBondContact CE1-CB 3.05Å; D79-H81 PolarHBondContact O-N 3Å; D79-H81 WeakPolarHBondContact OD1-CB 3.29Å; D79-H81 IonicContact OD1-CG 3.5Å; D79-H81 PolarHBondContact OD1-N 3.47Å; D79-H81 IonicContact OD1-ND1 2.72Å; D79-H81 PolarHBondContact OD1-ND1 2.79Å; H81-G83 PolarHBondContact O-N 2.81Å; H81-L99 WeakPolarHBondContact O-CD2 3.31Å; H81-D161 IonicContact CE1-OD2 3.13Å; H81-D161 PolarHBondContact CE1-OD2 3.27Å; H81-D161 IonicContact CG-OD2 3.74Å; H81-D161 IonicContact ND1-OD2 3.3Å; H81-D161 PolarHBondContact ND1-OD2 2.69Å
82	Y	82.8	Confident	79.9	Confident	29 Å²	29	25.6 Å²	25.6	11%	0.114	12%	0.124	C	C	.	.			trans	-59.7	114.8	-169.7	165.2	-138.6	0	0	0	112.5	H42 Q84 Q87 K88 L99 V102 E104 A105	H42-Y82 PolarHBondContact CE1-O 3.35Å; H42-Y82 PolarHBondContact ND1-O 2.96Å; Y82-Q84 HydrophobicContact CD1-CB 3.84Å; Y82-Q84 HydrophobicContact CD2-CB 4.36Å; Y82-Q84 HydrophobicContact CE1-CB 3.37Å; Y82-Q84 HydrophobicContact CE2-CB 3.91Å; Y82-Q84 HydrophobicContact CG-CB 4.34Å; Y82-Q84 PolarHBondContact O-N 2.9Å; Y82-Q84 PolarHBondContact O-OE1 3.32Å; Y82-Q87 HydrophobicContact CE2-CB 4.41Å; Y82-Q87 VanDerWaalsContact CE2-OE1 3.32Å; Y82-K88 WeakPolarHBondContact OH-CE 3.36Å; Y82-L99 VanDerWaalsContact CA-CD1 3.43Å; Y82-L99 HydrophobicContact CD2-CD1 3.58Å; Y82-L99 HydrophobicContact CG-CD1 4.16Å; Y82-V102 HydrophobicContact CD1-CG2 3.5Å; Y82-V102 VanDerWaalsContact CD1-CG2 3.5Å; Y82-V102 HydrophobicContact CE1-CG2 4.25Å; Y82-V102 HydrophobicContact CG-CG2 3.69Å; Y82-E104 HydrophobicContact CE1-CB 3.72Å; Y82-E104 WeakPolarHBondContact CE1-OE2 3.3Å; Y82-E104 PolarHBondContact OH-OE2 3.5Å; Y82-A105 HydrophobicContact CD2-CB 3.76Å; Y82-A105 HydrophobicContact CE2-CB 4.19Å; Y82-A105 HydrophobicContact CG-CB 3.98Å
83	G	83.4	Confident	78.3	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.11	C	C	.	.			trans	-75.5	54.2	178.3	0	0	0	0	0	114.2	H41 H81 G85 V86 Q87	H41-G83 CarbonylContact O-C 3.31Å; H41-G83 VanDerWaalsContact O-C 3.31Å; H81-G83 PolarHBondContact O-N 2.81Å; G83-G85 PolarHBondContact O-N 2.92Å; G83-G85 VanDerWaalsContact O-N 3.1Å; G83-V86 WeakPolarHBondContact O-CB 3.49Å; G83-V86 PolarHBondContact O-N 3.39Å; G83-Q87 PolarHBondContact O-N 2.82Å; G83-Q87 VanDerWaalsContact O-N 3.17Å
84	Q	84.8	Confident	76.8	Confident	21 Å²	21	23.2 Å²	23.2	10%	0.098	11%	0.114	C	C	.	.	H	α-helix	trans	-55.9	-31.6	-175.9	77.9	-79.3	34.3	0	0	113.7	H42 M44 N49 Y82 V86 K88	H42-Q84 VanDerWaalsContact CA-OE1 3.3Å; H42-Q84 PolarHBondContact ND1-OE1 3.17Å; M44-Q84 HydrophobicContact CG-CG 4.41Å; M44-Q84 HydrophobicContact SD-CB 4.47Å; M44-Q84 HydrophobicContact SD-CG 3.78Å; N49-Q84 PolarHBondContact ND2-NE2 3.23Å; Y82-Q84 HydrophobicContact CD1-CB 3.84Å; Y82-Q84 HydrophobicContact CD2-CB 4.36Å; Y82-Q84 HydrophobicContact CE1-CB 3.37Å; Y82-Q84 HydrophobicContact CE2-CB 3.91Å; Y82-Q84 HydrophobicContact CG-CB 4.34Å; Y82-Q84 PolarHBondContact O-N 2.9Å; Y82-Q84 PolarHBondContact O-OE1 3.32Å; Q84-V86 VanDerWaalsContact C-N 3.33Å; Q84-K88 HydrophobicContact CB-CD 4.45Å; Q84-K88 VanDerWaalsContact O-CB 3.23Å; Q84-K88 WeakPolarHBondContact O-CB 3.24Å; Q84-K88 VanDerWaalsContact O-CG 3.29Å; Q84-K88 WeakPolarHBondContact O-CG 3.46Å; Q84-K88 PolarHBondContact O-N 3.31Å
85	G	83.8	Confident	75.6	Confident	1 Å²	1	23.2 Å²	23.2	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-66.6	-34.8	177.4	0	0	0	0	0	112.4	H41 A43 N55 G83 R89	H41-G85 WeakPolarHBondContact O-CA 3.34Å; H41-G85 PolarHBondContact O-N 3.39Å; A43-G85 WeakPolarHBondContact O-CA 3.37Å; N55-G85 PolarHBondContact ND2-O 3.34Å; G83-G85 PolarHBondContact O-N 2.92Å; G83-G85 VanDerWaalsContact O-N 3.1Å; G85-R89 WeakPolarHBondContact O-CB 3.3Å; G85-R89 PolarHBondContact O-N 3.05Å
86	V	82.7	Confident	73.9	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-73.3	-55.9	175.9	179.6	0	0	0	0	109.7	H41 I75 G83 Q84 K88 R89 N90 D95	H41-V86 HydrophobicContact CB-CG2 3.74Å; H41-V86 PolarHBondContact O-N 2.8Å; I75-V86 HydrophobicContact CB-CG1 4.38Å; I75-V86 HydrophobicContact CD1-CG1 4.12Å; I75-V86 HydrophobicContact CG2-CG1 3.78Å; G83-V86 WeakPolarHBondContact O-CB 3.49Å; G83-V86 PolarHBondContact O-N 3.39Å; Q84-V86 VanDerWaalsContact C-N 3.33Å; V86-K88 VanDerWaalsContact C-N 3.32Å; V86-K88 PolarHBondContact O-N 2.86Å; V86-R89 PolarHBondContact O-N 3.07Å; V86-N90 WeakPolarHBondContact CG1-ND2 3.43Å; V86-N90 PolarHBondContact O-N 2.89Å; V86-N90 PolarHBondContact O-ND2 3.24Å; V86-D95 HydrophobicContact CG1-CB 3.98Å
87	Q	81.5	Confident	72.8	Confident	9 Å²	9	23.2 Å²	23.2	4%	0.042	11%	0.114	C	C	.	.	H	α-helix	trans	-57.1	-42.2	-177.7	177.9	174.2	-33.6	0	0	112.5	Y82 G83 D95 E104 S111 N121	Y82-Q87 HydrophobicContact CE2-CB 4.41Å; Y82-Q87 VanDerWaalsContact CE2-OE1 3.32Å; G83-Q87 PolarHBondContact O-N 2.82Å; G83-Q87 VanDerWaalsContact O-N 3.17Å; Q87-D95 VanDerWaalsContact CA-OD2 3.26Å; Q87-D95 WeakPolarHBondContact CA-OD2 3.19Å; Q87-D95 PolarHBondContact N-OD2 2.92Å; Q87-E104 PolarHBondContact NE2-O 3.23Å; Q87-S111 WeakPolarHBondContact O-CB 3.18Å; Q87-N121 PolarHBondContact OE1-ND2 3.03Å; Q87-N121 VanDerWaalsContact OE1-ND2 3.09Å; Q87-N121 PolarHBondContact OE1-OD1 3.36Å; Q87-N121 VanDerWaalsContact OE1-OD1 3.14Å
88	K	77.5	Confident	71.6	Confident	101 Å²	101	23.2 Å²	23.2	44%	0.439	11%	0.113	S	C	.	.	H	α-helix	trans	-82.6	-14.3	-175.4	-64.6	175.9	-178.1	178	0	113.9	M44 Y82 Q84 V86 E104	M44-K88 HydrophobicContact CE-CB 3.83Å; M44-K88 HydrophobicContact CE-CD 3.35Å; M44-K88 HydrophobicContact CE-CG 4.18Å; M44-K88 HydrophobicContact SD-CB 4.27Å; M44-K88 HydrophobicContact SD-CD 3.94Å; Y82-K88 WeakPolarHBondContact OH-CE 3.36Å; Q84-K88 HydrophobicContact CB-CD 4.45Å; Q84-K88 VanDerWaalsContact O-CB 3.23Å; Q84-K88 WeakPolarHBondContact O-CB 3.24Å; Q84-K88 VanDerWaalsContact O-CG 3.29Å; Q84-K88 WeakPolarHBondContact O-CG 3.46Å; Q84-K88 PolarHBondContact O-N 3.31Å; V86-K88 VanDerWaalsContact C-N 3.32Å; V86-K88 PolarHBondContact O-N 2.86Å; K88-E104 WeakPolarHBondContact CE-OE2 3.33Å; K88-E104 IonicContact NZ-OE1 2.99Å; K88-E104 PolarHBondContact NZ-OE1 3Å; K88-E104 IonicContact NZ-OE2 3.24Å; K88-E104 PolarHBondContact NZ-OE2 3.39Å
89	R	69.9	Low	70.4	Confident	78 Å²	78	23.2 Å²	23.2	29%	0.294	11%	0.114	S	C	.	.	H	α-helix	trans	-95.6	-34.6	-177.4	-174.2	175.7	-178.4	172.1	2.9	113.1	G85 V86 G91	G85-R89 WeakPolarHBondContact O-CB 3.3Å; G85-R89 PolarHBondContact O-N 3.05Å; V86-R89 PolarHBondContact O-N 3.07Å; R89-G91 PolarHBondContact O-N 2.94Å
90	N	59.6	Low	69	Low	15 Å²	15	24.7 Å²	24.7	8%	0.08	12%	0.123	C	C	.	.			trans	-92.2	81.5	-164.1	-70.5	-34.6	0	0	0	112.8	I75 V86 N92 A93	I75-N90 WeakPolarHBondContact CD1-ND2 3.12Å; V86-N90 WeakPolarHBondContact CG1-ND2 3.43Å; V86-N90 PolarHBondContact O-N 2.89Å; V86-N90 PolarHBondContact O-ND2 3.24Å; N90-N92 PolarHBondContact O-N 3.04Å; N90-A93 HydrophobicContact CB-CB 4.06Å
91	G	53.3	Low	67.6	Low	22 Å²	22	30.9 Å²	30.9	23%	0.227	15%	0.15	C	C	.	.	S	Bend	trans	-69.8	-14.2	171.4	0	0	0	0	0	114.8	R89 N114	R89-G91 PolarHBondContact O-N 2.94Å; G91-N114 CarbonylContact O-C 3.51Å; G91-N114 VanDerWaalsContact O-C 3.24Å
92	N	52.9	Low	66.6	Low	117 Å²	117	31.1 Å²	31.1	63%	0.626	16%	0.156	S	C	*	.	S	Bend	trans	-128.9	6.4	-173.4	-69.8	-13.5	0	0	0	113.8	L65 N90	L65-N92 HydrophobicContact CD1-CB 4.45Å; N90-N92 PolarHBondContact O-N 3.04Å
93	A	54.5	Low	65.9	Low	1 Å²	1	36 Å²	36	1%	0.008	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	139	177.3	0	0	0	0	0	108.1	V73 I75 N90	V73-A93 HydrophobicContact CB-CB 3.95Å; V73-A93 HydrophobicContact CG1-CB 4.16Å; V73-A93 VanDerWaalsContact O-CA 3.31Å; V73-A93 WeakPolarHBondContact O-CA 3.28Å; V73-A93 WeakPolarHBondContact O-CB 3.34Å; I75-A93 HydrophobicContact CD1-CB 4.12Å; N90-A93 HydrophobicContact CB-CB 4.06Å
94	Q	56.7	Low	65.3	Low	18 Å²	18	40.1 Å²	40.1	8%	0.084	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	136.3	172.7	-177.6	166.1	29.2	0	0	109.4	V73 L74 I75 F118 Y149	V73-Q94 PolarHBondContact O-N 3.02Å; L74-Q94 CarbonylContact C-O 3.6Å; L74-Q94 WeakPolarHBondContact CA-O 3.12Å; L74-Q94 HydrophobicContact CD1-CB 3.89Å; L74-Q94 HydrophobicContact CD1-CG 3.85Å; I75-Q94 PolarHBondContact N-O 3.37Å; Q94-F118 CarbonylContact C-O 3.54Å; Q94-F118 WeakPolarHBondContact CA-O 3.21Å; Q94-F118 VanDerWaalsContact CG-O 3.3Å; Q94-F118 WeakPolarHBondContact CG-O 3.31Å; Q94-Y149 HydrophobicContact CB-CD1 4.04Å; Q94-Y149 HydrophobicContact CB-CD2 4.23Å; Q94-Y149 HydrophobicContact CB-CE1 3.76Å; Q94-Y149 HydrophobicContact CB-CE2 3.97Å; Q94-Y149 HydrophobicContact CB-CG 4.27Å
95	D	62.9	Low	64.8	Low	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	142.7	174.6	68.4	-36.4	0	0	0	113.3	I75 V86 Q87 F118 N119 V120	I75-D95 HydrophobicContact CB-CB 4.14Å; I75-D95 CarbonylContact O-C 3.57Å; I75-D95 WeakPolarHBondContact O-CA 2.89Å; V86-D95 HydrophobicContact CG1-CB 3.98Å; Q87-D95 VanDerWaalsContact CA-OD2 3.26Å; Q87-D95 WeakPolarHBondContact CA-OD2 3.19Å; Q87-D95 PolarHBondContact N-OD2 2.92Å; D95-F118 PolarHBondContact N-O 3.46Å; D95-N119 WeakPolarHBondContact OD1-CA 3.44Å; D95-N119 WeakPolarHBondContact OD1-CB 3.5Å; D95-N119 PolarHBondContact OD1-ND2 2.83Å; D95-N119 PolarHBondContact OD2-ND2 3.35Å; D95-V120 PolarHBondContact O-N 2.77Å
96	C	50.3	Low	64.4	Low	0 Å²	0	42 Å²	42	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	119.4	176.5	-63.9	0	0	0	0	109.7	I75 D77 V120	I75-C96 PolarHBondContact O-N 2.94Å; D77-C96 PolarHBondContact N-O 3.32Å; C96-V120 VanDerWaalsContact CA-O 3.26Å; C96-V120 WeakPolarHBondContact CA-O 3.14Å
97	S	65.6	Low	64.2	Low	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	140.3	-173.2	-53.4	0	0	0	0	113.4	D77 V120 I122	D77-S97 CarbonylContact O-C 3.51Å; D77-S97 WeakPolarHBondContact O-CA 3.47Å; S97-V120 PolarHBondContact N-O 3.39Å; S97-V120 VanDerWaalsContact N-O 3.12Å; S97-I122 PolarHBondContact O-N 2.77Å
98	F	60.6	Low	64	Low	1 Å²	1	54.9 Å²	54.9	0%	0.004	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	103.8	-177.1	-78	-117.8	0	0	0	113.6	D77 W78 I122 L124 Y134 V137 F138 I142	D77-F98 WeakPolarHBondContact O-CD2 3.5Å; D77-F98 PolarHBondContact O-N 2.86Å; D77-F98 VanDerWaalsContact O-N 3.08Å; W78-F98 HydrophobicContact CB-CD2 3.78Å; W78-F98 HydrophobicContact CB-CE2 3.81Å; W78-F98 HydrophobicContact CB-CG 4.25Å; W78-F98 HydrophobicContact CB-CZ 4.43Å; F98-I122 CarbonylContact C-O 3.59Å; F98-I122 WeakPolarHBondContact CA-O 3.46Å; F98-L124 HydrophobicContact CB-CD1 4.41Å; F98-L124 HydrophobicContact CD1-CD1 3.52Å; F98-L124 HydrophobicContact CD1-CG 4.15Å; F98-L124 HydrophobicContact CE1-CD1 4.3Å; F98-L124 HydrophobicContact CG-CD1 4.44Å; F98-Y134 HydrophobicContact CD1-CD1 4.01Å; F98-Y134 AromaticContact CD1-CE1 3.84Å; F98-Y134 HydrophobicContact CD1-CE1 3.84Å; F98-Y134 AromaticContact CE1-CD1 3.79Å; F98-Y134 HydrophobicContact CE1-CD1 3.79Å; F98-Y134 HydrophobicContact CE1-CE1 4.11Å; F98-Y134 HydrophobicContact CE1-CG 4.32Å; F98-V137 HydrophobicContact CD1-CB 4.49Å; F98-V137 HydrophobicContact CD1-CG1 4.12Å; F98-V137 HydrophobicContact CE1-CB 3.54Å; F98-V137 HydrophobicContact CE1-CG1 3.31Å; F98-V137 HydrophobicContact CE1-CG2 4.02Å; F98-V137 HydrophobicContact CE2-CG1 4.08Å; F98-V137 HydrophobicContact CZ-CB 3.84Å; F98-V137 HydrophobicContact CZ-CG1 3.27Å; F98-F138 HydrophobicContact CE1-CD2 4.42Å; F98-F138 HydrophobicContact CE1-CE2 4.36Å; F98-F138 HydrophobicContact CE2-CD2 4.32Å; F98-F138 AromaticContact CE2-CE2 3.68Å; F98-F138 HydrophobicContact CE2-CE2 3.68Å; F98-F138 HydrophobicContact CE2-CZ 4.18Å; F98-F138 AromaticContact CZ-CD2 3.56Å; F98-F138 HydrophobicContact CZ-CD2 3.56Å; F98-F138 AromaticContact CZ-CE2 3.33Å; F98-F138 HydrophobicContact CZ-CE2 3.33Å; F98-F138 HydrophobicContact CZ-CZ 4.22Å; F98-I142 HydrophobicContact CD2-CD1 4.28Å; F98-I142 HydrophobicContact CE2-CD1 3.15Å; F98-I142 HydrophobicContact CZ-CD1 3.39Å
99	L	60.7	Low	63.9	Low	2 Å²	2	54 Å²	54	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	133.4	-158.2	-65	171	0	0	0	116.9	D79 V80 H81 Y82 A105 I122 P123 L124	D79-L99 VanDerWaalsContact O-CD2 3.32Å; D79-L99 WeakPolarHBondContact O-CD2 3.27Å; V80-L99 VanDerWaalsContact C-CD2 3.49Å; V80-L99 WeakPolarHBondContact O-CD2 3.42Å; H81-L99 WeakPolarHBondContact O-CD2 3.31Å; Y82-L99 VanDerWaalsContact CA-CD1 3.43Å; Y82-L99 HydrophobicContact CD2-CD1 3.58Å; Y82-L99 HydrophobicContact CG-CD1 4.16Å; L99-A105 HydrophobicContact CB-CB 4.05Å; L99-A105 HydrophobicContact CD1-CB 3.87Å; L99-I122 PolarHBondContact N-O 2.95Å; L99-P123 WeakPolarHBondContact O-CA 3.26Å; L99-L124 PolarHBondContact O-N 2.84Å
100	P	56.9	Low	64	Low	33 Å²	33	52.9 Å²	52.9	21%	0.214	26%	0.259	C	S	.	.	S	Bend	trans	-99.7	-20.2	-155.3	39.1	-40.4	0	0	0	117.2	V80 L124 D125	V80-P100 WeakPolarHBondContact O-CD 3.33Å; P100-L124 WeakPolarHBondContact CB-O 3.05Å; P100-D125 VanDerWaalsContact C-OD1 3.31Å; P100-D125 WeakPolarHBondContact O-CA 3.2Å; P100-D125 WeakPolarHBondContact O-CB 3.39Å
101	F	55.8	Low	64.2	Low	138 Å²	138	52.4 Å²	52.4	61%	0.605	26%	0.257	S	S	*	.	S	Bend	trans	-156.3	33.4	-170.7	-57.4	-70.3	0	0	0	118	D125	F101-D125 HydrophobicContact CD1-CB 4.46Å; F101-D125 HydrophobicContact CE1-CB 3.92Å; F101-D125 WeakPolarHBondContact CE1-O 3.44Å; F101-D125 WeakPolarHBondContact CZ-O 3.3Å
102	V	62.4	Low	64.6	Low	67 Å²	67	61 Å²	61	41%	0.406	28%	0.282	S	S	.	.			trans	-125.9	134.4	176.1	-63.1	0	0	0	0	112.1	Y82 E104 A105 E106	Y82-V102 HydrophobicContact CD1-CG2 3.5Å; Y82-V102 VanDerWaalsContact CD1-CG2 3.5Å; Y82-V102 HydrophobicContact CE1-CG2 4.25Å; Y82-V102 HydrophobicContact CG-CG2 3.69Å; V102-E104 PolarHBondContact O-N 3.49Å; V102-A105 HydrophobicContact CG2-CB 3.48Å; V102-A105 VanDerWaalsContact CG2-CB 3.48Å; V102-A105 PolarHBondContact O-N 2.96Å; V102-E106 PolarHBondContact O-N 3.27Å
103	E	69.3	Low	64.8	Low	132 Å²	132	63.8 Å²	63.8	62%	0.617	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-56.3	-28.1	-174.9	-162.6	-162.4	156.1	0	0	112.9	A105 R109	E103-A105 VanDerWaalsContact C-N 3.32Å; E103-R109 WeakPolarHBondContact O-CG 3.22Å; E103-R109 PolarHBondContact O-NE 3.08Å; E103-R109 IonicContact OE1-CZ 3.74Å; E103-R109 IonicContact OE1-NH1 3.06Å; E103-R109 PolarHBondContact OE1-NH1 3.02Å; E103-R109 IonicContact OE1-NH2 3.72Å; E103-R109 PolarHBondContact OE1-NH2 2.6Å; E103-R109 IonicContact OE2-NH2 2.89Å
104	E	71	Confident	65.1	Low	85 Å²	85	69.9 Å²	69.9	40%	0.397	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-76.5	-16.5	178	-64.1	-170.7	157.4	0	0	114.4	Y82 Q87 K88 V102 R109	Y82-E104 HydrophobicContact CE1-CB 3.72Å; Y82-E104 WeakPolarHBondContact CE1-OE2 3.3Å; Y82-E104 PolarHBondContact OH-OE2 3.5Å; Q87-E104 PolarHBondContact NE2-O 3.23Å; K88-E104 WeakPolarHBondContact CE-OE2 3.33Å; K88-E104 IonicContact NZ-OE1 2.99Å; K88-E104 PolarHBondContact NZ-OE1 3Å; K88-E104 IonicContact NZ-OE2 3.24Å; K88-E104 PolarHBondContact NZ-OE2 3.39Å; V102-E104 PolarHBondContact O-N 3.49Å; E104-R109 WeakPolarHBondContact O-CB 3.13Å
105	A	72.5	Confident	65.4	Low	2 Å²	2	69 Å²	69	2%	0.017	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-106.5	10.2	179.2	0	0	0	0	0	112.6	Y82 L99 V102 E103 N121	Y82-A105 HydrophobicContact CD2-CB 3.76Å; Y82-A105 HydrophobicContact CE2-CB 4.19Å; Y82-A105 HydrophobicContact CG-CB 3.98Å; L99-A105 HydrophobicContact CB-CB 4.05Å; L99-A105 HydrophobicContact CD1-CB 3.87Å; V102-A105 HydrophobicContact CG2-CB 3.48Å; V102-A105 VanDerWaalsContact CG2-CB 3.48Å; V102-A105 PolarHBondContact O-N 2.96Å; E103-A105 VanDerWaalsContact C-N 3.32Å; A105-N121 WeakPolarHBondContact O-CB 3.4Å
106	E	76	Confident	65.6	Low	59 Å²	59	75.4 Å²	75.4	28%	0.276	35%	0.347	S	S	.	.	S	Bend	trans	-64	150.7	173.5	-71.3	-72	171.2	0	0	111	V102 N108 R109	V102-E106 PolarHBondContact O-N 3.27Å; E106-N108 WeakPolarHBondContact CB-OD1 3.47Å; E106-N108 PolarHBondContact O-N 2.95Å; E106-R109 HydrophobicContact CB-CG 3.97Å; E106-R109 WeakPolarHBondContact O-CB 3.5Å; E106-R109 PolarHBondContact O-N 3.44Å
107	W	77.7	Confident	66.6	Low	184 Å²	184	78 Å²	78	70%	0.697	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-24.7	-176.5	66.5	-87.6	0	0	0	114.1	R109 P123	W107-R109 VanDerWaalsContact C-N 3.34Å; W107-P123 HydrophobicContact CB-CG 3.83Å; W107-P123 HydrophobicContact CG-CG 4.45Å
108	N	77.6	Confident	67.4	Low	96 Å²	96	82.2 Å²	82.2	51%	0.513	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	4.2	179.3	69.9	-5.5	0	0	0	113.3	E106	E106-N108 WeakPolarHBondContact CB-OD1 3.47Å; E106-N108 PolarHBondContact O-N 2.95Å
109	R	76.2	Confident	68.5	Low	82 Å²	82	82.4 Å²	82.4	31%	0.309	39%	0.394	S	S	.	.			trans	-101.3	133.8	174.4	-55.8	-59.9	-123	-125.5	0.4	109.5	E103 E104 E106 W107 N119 N121	E103-R109 WeakPolarHBondContact O-CG 3.22Å; E103-R109 PolarHBondContact O-NE 3.08Å; E103-R109 IonicContact OE1-CZ 3.74Å; E103-R109 IonicContact OE1-NH1 3.06Å; E103-R109 PolarHBondContact OE1-NH1 3.02Å; E103-R109 IonicContact OE1-NH2 3.72Å; E103-R109 PolarHBondContact OE1-NH2 2.6Å; E103-R109 IonicContact OE2-NH2 2.89Å; E104-R109 WeakPolarHBondContact O-CB 3.13Å; E106-R109 HydrophobicContact CB-CG 3.97Å; E106-R109 WeakPolarHBondContact O-CB 3.5Å; E106-R109 PolarHBondContact O-N 3.44Å; W107-R109 VanDerWaalsContact C-N 3.34Å; R109-N119 PolarHBondContact O-OD1 3.15Å; R109-N121 PolarHBondContact O-ND2 2.89Å
110	T	70.7	Confident	69.7	Low	55 Å²	55	84.3 Å²	84.3	34%	0.337	41%	0.406	S	S	.	.			trans	-117.9	168.5	170.3	61.2	0	0	0	0	109.4	N119	T110-N119 WeakPolarHBondContact CA-OD1 3.09Å
111	S	64.1	Low	71.1	Confident	6 Å²	6	83 Å²	83	4%	0.042	40%	0.397	C	S	.	.			trans	-59.1	155.3	163.1	79.9	0	0	0	0	110.4	Q87 G115 E116 N119	Q87-S111 WeakPolarHBondContact O-CB 3.18Å; S111-G115 WeakPolarHBondContact OG-CA 3.42Å; S111-G115 PolarHBondContact OG-O 3.09Å; S111-E116 WeakPolarHBondContact O-CA 3.46Å; S111-N119 PolarHBondContact N-OD1 2.85Å
112	R	62.6	Low	72.7	Confident	202 Å²	202	77 Å²	77	76%	0.762	37%	0.371	S	S	*	.	S	Bend	trans	-96.5	158.3	-178.7	-65.5	-175.9	179.7	175.1	1.1	110.5
113	F	57.8	Low	73.8	Confident	176 Å²	176	75.3 Å²	75.3	77%	0.772	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	64.2	-129.5	178.9	-47.3	-76.5	0	0	0	111.7	G115 E116	F113-G115 PolarHBondContact O-N 2.88Å; F113-G115 VanDerWaalsContact O-N 3.08Å; F113-E116 WeakPolarHBondContact O-CB 3.4Å; F113-E116 PolarHBondContact O-N 3.44Å; F113-E116 VanDerWaalsContact O-N 3.09Å
114	N	59.2	Low	74.5	Confident	129 Å²	129	70.2 Å²	70.2	69%	0.69	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-62.5	-21	-170.4	-65.6	-5.7	0	0	0	114.4	G91	G91-N114 CarbonylContact O-C 3.51Å; G91-N114 VanDerWaalsContact O-C 3.24Å
115	G	62.9	Low	74.9	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-92.3	2.3	179.2	0	0	0	0	0	114.5	S111 F113 G117 F118	S111-G115 WeakPolarHBondContact OG-CA 3.42Å; S111-G115 PolarHBondContact OG-O 3.09Å; F113-G115 PolarHBondContact O-N 2.88Å; F113-G115 VanDerWaalsContact O-N 3.08Å; G115-G117 PolarHBondContact O-N 3.17Å; G115-F118 PolarHBondContact O-N 3.1Å
116	E	66.8	Low	75.3	Confident	134 Å²	134	75.5 Å²	75.5	63%	0.626	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	129.2	177.7	-168.5	173.4	174	0	0	110.1	S111 F113 F118	S111-E116 WeakPolarHBondContact O-CA 3.46Å; F113-E116 WeakPolarHBondContact O-CB 3.4Å; F113-E116 PolarHBondContact O-N 3.44Å; F113-E116 VanDerWaalsContact O-N 3.09Å; E116-F118 VanDerWaalsContact C-N 3.29Å; E116-F118 PolarHBondContact O-N 3.42Å
117	G	73.1	Confident	75.7	Confident	56 Å²	56	76.6 Å²	76.6	58%	0.577	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	-6	-173.3	0	0	0	0	0	115.7	G115	G115-G117 PolarHBondContact O-N 3.17Å
118	F	80.5	Confident	76.1	Confident	87 Å²	87	72.6 Å²	72.6	38%	0.382	37%	0.368	S	S	.	.	S	Bend	trans	-108.9	8.2	176.1	-64.1	-81.2	0	0	0	113.1	Q94 D95 G115 E116 Y149	Q94-F118 CarbonylContact C-O 3.54Å; Q94-F118 WeakPolarHBondContact CA-O 3.21Å; Q94-F118 VanDerWaalsContact CG-O 3.3Å; Q94-F118 WeakPolarHBondContact CG-O 3.31Å; D95-F118 PolarHBondContact N-O 3.46Å; G115-F118 PolarHBondContact O-N 3.1Å; E116-F118 VanDerWaalsContact C-N 3.29Å; E116-F118 PolarHBondContact O-N 3.42Å; F118-Y149 AromaticContact CD1-CE2 3.85Å; F118-Y149 HydrophobicContact CD1-CE2 3.85Å; F118-Y149 AromaticContact CE1-CE2 3.9Å; F118-Y149 HydrophobicContact CE1-CE2 3.9Å
119	N	84.5	Confident	76.8	Confident	5 Å²	5	69 Å²	69	3%	0.027	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	132.3	173.6	168.7	-110.4	0	0	0	109	D95 R109 T110 S111 N121	D95-N119 WeakPolarHBondContact OD1-CA 3.44Å; D95-N119 WeakPolarHBondContact OD1-CB 3.5Å; D95-N119 PolarHBondContact OD1-ND2 2.83Å; D95-N119 PolarHBondContact OD2-ND2 3.35Å; R109-N119 PolarHBondContact O-OD1 3.15Å; T110-N119 WeakPolarHBondContact CA-OD1 3.09Å; S111-N119 PolarHBondContact N-OD1 2.85Å; N119-N121 PolarHBondContact OD1-ND2 3.32Å
120	V	86.2	Confident	77.5	Confident	42 Å²	42	67.7 Å²	67.7	26%	0.255	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	110	175.6	-179.8	0	0	0	0	108.5	D95 C96 S97 I122 I145	D95-V120 PolarHBondContact O-N 2.77Å; C96-V120 VanDerWaalsContact CA-O 3.26Å; C96-V120 WeakPolarHBondContact CA-O 3.14Å; S97-V120 PolarHBondContact N-O 3.39Å; S97-V120 VanDerWaalsContact N-O 3.12Å; V120-I122 HydrophobicContact CG1-CG1 4.25Å; V120-I145 HydrophobicContact CB-CD1 4.21Å; V120-I145 HydrophobicContact CG1-CD1 3.94Å; V120-I145 HydrophobicContact CG2-CD1 4.01Å
121	N	87.1	Confident	78.5	Confident	5 Å²	5	67.3 Å²	67.3	3%	0.027	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	135.7	170.6	-65.4	-41.2	0	0	0	110.2	Q87 A105 R109 N119 P123	Q87-N121 PolarHBondContact OE1-ND2 3.03Å; Q87-N121 VanDerWaalsContact OE1-ND2 3.09Å; Q87-N121 PolarHBondContact OE1-OD1 3.36Å; Q87-N121 VanDerWaalsContact OE1-OD1 3.14Å; A105-N121 WeakPolarHBondContact O-CB 3.4Å; R109-N121 PolarHBondContact O-ND2 2.89Å; N119-N121 PolarHBondContact OD1-ND2 3.32Å; N121-P123 WeakPolarHBondContact O-CD 3.31Å
122	I	88	Confident	79.8	Confident	13 Å²	13	73.5 Å²	73.5	7%	0.067	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	89	179.1	-50.6	175.6	0	0	0	106.7	S97 F98 L99 V120 L124 V137 I141 I142	S97-I122 PolarHBondContact O-N 2.77Å; F98-I122 CarbonylContact C-O 3.59Å; F98-I122 WeakPolarHBondContact CA-O 3.46Å; L99-I122 PolarHBondContact N-O 2.95Å; V120-I122 HydrophobicContact CG1-CG1 4.25Å; I122-L124 PolarHBondContact O-N 2.92Å; I122-V137 HydrophobicContact CB-CG1 4.43Å; I122-V137 HydrophobicContact CD1-CG1 3.5Å; I122-V137 HydrophobicContact CG2-CG1 3.79Å; I122-V137 HydrophobicContact CG2-CG2 4.12Å; I122-I141 HydrophobicContact CD1-CB 4.09Å; I122-I141 HydrophobicContact CD1-CD1 4.36Å; I122-I141 HydrophobicContact CD1-CG2 3.57Å; I122-I141 HydrophobicContact CG1-CG2 4.19Å; I122-I141 HydrophobicContact CG2-CD1 3.98Å; I122-I142 HydrophobicContact CD1-CD1 4.24Å; I122-I142 HydrophobicContact CD1-CG1 3.9Å
123	P	84.8	Confident	81.2	Confident	32 Å²	32	66 Å²	66	21%	0.208	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	128.1	179.9	23.8	-31.1	0	0	0	110.4	L99 W107 N121 D125	L99-P123 WeakPolarHBondContact O-CA 3.26Å; W107-P123 HydrophobicContact CB-CG 3.83Å; W107-P123 HydrophobicContact CG-CG 4.45Å; N121-P123 WeakPolarHBondContact O-CD 3.31Å; P123-D125 WeakPolarHBondContact CB-OD1 3.39Å
124	L	84.4	Confident	82.6	Confident	25 Å²	25	57.8 Å²	57.8	13%	0.131	31%	0.308	C	S	.	.			trans	-115.3	61.4	176.5	-77.4	-160.7	0	0	0	109.3	F98 L99 P100 I122 E126 L129 Y134 V137	F98-L124 HydrophobicContact CB-CD1 4.41Å; F98-L124 HydrophobicContact CD1-CD1 3.52Å; F98-L124 HydrophobicContact CD1-CG 4.15Å; F98-L124 HydrophobicContact CE1-CD1 4.3Å; F98-L124 HydrophobicContact CG-CD1 4.44Å; L99-L124 PolarHBondContact O-N 2.84Å; P100-L124 WeakPolarHBondContact CB-O 3.05Å; I122-L124 PolarHBondContact O-N 2.92Å; L124-E126 PolarHBondContact O-N 3.34Å; L124-L129 HydrophobicContact CB-CD1 3.73Å; L124-L129 HydrophobicContact CD1-CD1 3.82Å; L124-L129 HydrophobicContact CD2-CD1 4.03Å; L124-L129 HydrophobicContact CG-CD1 4.09Å; L124-Y134 HydrophobicContact CD1-CD2 4.29Å; L124-Y134 HydrophobicContact CD1-CE2 3.77Å; L124-V137 HydrophobicContact CD2-CG2 3.98Å
125	D	79.4	Confident	83.9	Confident	66 Å²	66	54.1 Å²	54.1	35%	0.353	29%	0.289	S	S	.	.			trans	-75.7	23.6	-166.6	-46.9	-23.6	0	0	0	114.2	P100 F101 P123	P100-D125 VanDerWaalsContact C-OD1 3.31Å; P100-D125 WeakPolarHBondContact O-CA 3.2Å; P100-D125 WeakPolarHBondContact O-CB 3.39Å; F101-D125 HydrophobicContact CD1-CB 4.46Å; F101-D125 HydrophobicContact CE1-CB 3.92Å; F101-D125 WeakPolarHBondContact CE1-O 3.44Å; F101-D125 WeakPolarHBondContact CZ-O 3.3Å; P123-D125 WeakPolarHBondContact CB-OD1 3.39Å
126	E	82.4	Confident	85.2	Confident	132 Å²	132	56.1 Å²	56.1	62%	0.617	31%	0.305	S	S	*	.			trans	-120.1	145.2	-177.2	-72.1	-69.4	174.1	0	0	110.3	L124 L129	L124-E126 PolarHBondContact O-N 3.34Å; E126-L129 HydrophobicContact CB-CD1 4.17Å; E126-L129 HydrophobicContact CB-CD2 3.8Å; E126-L129 HydrophobicContact CB-CG 3.96Å
127	V	84	Confident	86.2	Confident	81 Å²	81	50.4 Å²	50.4	49%	0.491	28%	0.28	S	S	.	.	S	Bend	trans	-91.9	156.8	174.8	-64.2	0	0	0	0	110.9	L129 N170	V127-L129 PolarHBondContact O-N 3.22Å; V127-N170 HydrophobicContact CG1-CB 4.17Å
128	N	86.5	Confident	86.8	Confident	100 Å²	100	48 Å²	48	54%	0.535	25%	0.253	S	S	.	.	S	Bend	trans	61.6	21	-179.4	-55.7	-69.1	0	0	0	114.9	N170	N128-N170 PolarHBondContact N-O 3.09Å
129	L	90.9	Very high	87	Confident	22 Å²	22	51 Å²	51	12%	0.115	26%	0.262	C	S	.	.			trans	-55.5	144.1	166	-61.2	175.7	0	0	0	109.8	L124 E126 V127 D133 V171 R172	L124-L129 HydrophobicContact CB-CD1 3.73Å; L124-L129 HydrophobicContact CD1-CD1 3.82Å; L124-L129 HydrophobicContact CD2-CD1 4.03Å; L124-L129 HydrophobicContact CG-CD1 4.09Å; E126-L129 HydrophobicContact CB-CD1 4.17Å; E126-L129 HydrophobicContact CB-CD2 3.8Å; E126-L129 HydrophobicContact CB-CG 3.96Å; V127-L129 PolarHBondContact O-N 3.22Å; L129-D133 WeakPolarHBondContact CA-OD2 3.15Å; L129-D133 HydrophobicContact CB-CB 4.05Å; L129-D133 HydrophobicContact CD2-CB 3.92Å; L129-D133 HydrophobicContact CG-CB 4.47Å; L129-V171 HydrophobicContact CB-CG1 3.89Å; L129-V171 CarbonylContact O-C 3.59Å; L129-V171 WeakPolarHBondContact O-CB 3.41Å; L129-R172 PolarHBondContact O-N 3.21Å
130	D	91.9	Very high	87.2	Confident	54 Å²	54	56.4 Å²	56.4	29%	0.289	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-129.9	-165.9	-174.6	69.1	35.9	0	0	0	111.4	K132 D133 Y134 R172	D130-K132 VanDerWaalsContact C-N 3.3Å; D130-K132 PolarHBondContact O-N 3.4Å; D130-K132 VanDerWaalsContact OD1-CE 3.23Å; D130-K132 WeakPolarHBondContact OD1-CE 3.46Å; D130-K132 WeakPolarHBondContact OD1-CG 3.47Å; D130-K132 PolarHBondContact OD1-N 3.02Å; D130-K132 WeakPolarHBondContact OD2-CE 3.3Å; D130-D133 PolarHBondContact N-OD2 2.86Å; D130-D133 PolarHBondContact O-N 3.16Å; D130-D133 VanDerWaalsContact O-N 3.11Å; D130-Y134 PolarHBondContact O-N 3.26Å; D130-R172 HydrophobicContact CB-CB 4.36Å
131	D	91.6	Very high	87.3	Confident	46 Å²	46	57.4 Å²	57.4	25%	0.246	29%	0.29	C	S	.	.	H	α-helix	trans	-50.4	-44	-177.2	-65.3	-5.1	0	0	0	113.8	D133 L135 V173 S174 A177	D131-D133 VanDerWaalsContact C-N 3.26Å; D131-D133 PolarHBondContact O-N 3.18Å; D131-L135 WeakPolarHBondContact O-CB 3.32Å; D131-L135 WeakPolarHBondContact O-CD1 3.28Å; D131-L135 WeakPolarHBondContact O-CG 3.35Å; D131-L135 PolarHBondContact O-N 3.36Å; D131-V173 WeakPolarHBondContact OD1-CA 3.41Å; D131-S174 VanDerWaalsContact CG-OG 3.26Å; D131-S174 PolarHBondContact OD1-N 2.95Å; D131-S174 PolarHBondContact OD1-OG 3.1Å; D131-S174 VanDerWaalsContact OD2-CB 3.26Å; D131-S174 WeakPolarHBondContact OD2-CB 3.28Å; D131-S174 PolarHBondContact OD2-OG 3.5Å; D131-A177 HydrophobicContact CB-CB 3.84Å; D131-A177 WeakPolarHBondContact OD1-CB 3.17Å
132	K	91.9	Very high	87.2	Confident	137 Å²	137	57.2 Å²	57.2	60%	0.596	29%	0.289	S	S	*	.	H	α-helix	trans	-66.5	-32.4	-176.7	45.5	155	-170.8	-173.3	0	111.5	D130 A136	D130-K132 VanDerWaalsContact C-N 3.3Å; D130-K132 PolarHBondContact O-N 3.4Å; D130-K132 VanDerWaalsContact OD1-CE 3.23Å; D130-K132 WeakPolarHBondContact OD1-CE 3.46Å; D130-K132 WeakPolarHBondContact OD1-CG 3.47Å; D130-K132 PolarHBondContact OD1-N 3.02Å; D130-K132 WeakPolarHBondContact OD2-CE 3.3Å; K132-A136 WeakPolarHBondContact O-CB 3.37Å; K132-A136 PolarHBondContact O-N 2.91Å
133	D	90.8	Very high	86.9	Confident	44 Å²	44	56.8 Å²	56.8	24%	0.235	29%	0.287	C	S	.	.	H	α-helix	trans	-73.8	-47.4	-176.4	-53.5	-50.9	0	0	0	109.4	L129 D130 D131 A136 V137	L129-D133 WeakPolarHBondContact CA-OD2 3.15Å; L129-D133 HydrophobicContact CB-CB 4.05Å; L129-D133 HydrophobicContact CD2-CB 3.92Å; L129-D133 HydrophobicContact CG-CB 4.47Å; D130-D133 PolarHBondContact N-OD2 2.86Å; D130-D133 PolarHBondContact O-N 3.16Å; D130-D133 VanDerWaalsContact O-N 3.11Å; D131-D133 VanDerWaalsContact C-N 3.26Å; D131-D133 PolarHBondContact O-N 3.18Å; D133-A136 PolarHBondContact O-N 3.19Å; D133-V137 WeakPolarHBondContact O-CG2 3.45Å; D133-V137 PolarHBondContact O-N 3.24Å; D133-V137 VanDerWaalsContact O-N 3.07Å
134	Y	87.2	Confident	87	Confident	3 Å²	3	58 Å²	58	1%	0.012	30%	0.295	C	S	.	.	H	α-helix	trans	-62.2	-45.3	174	-87.7	-108	0	0	0	112.1	V80 F98 L124 D130 A136 V137 F138 A162 V171 V173	V80-Y134 WeakPolarHBondContact CG1-OH 3.33Å; F98-Y134 HydrophobicContact CD1-CD1 4.01Å; F98-Y134 AromaticContact CD1-CE1 3.84Å; F98-Y134 HydrophobicContact CD1-CE1 3.84Å; F98-Y134 AromaticContact CE1-CD1 3.79Å; F98-Y134 HydrophobicContact CE1-CD1 3.79Å; F98-Y134 HydrophobicContact CE1-CE1 4.11Å; F98-Y134 HydrophobicContact CE1-CG 4.32Å; L124-Y134 HydrophobicContact CD1-CD2 4.29Å; L124-Y134 HydrophobicContact CD1-CE2 3.77Å; D130-Y134 PolarHBondContact O-N 3.26Å; Y134-A136 VanDerWaalsContact C-N 3.29Å; Y134-A136 PolarHBondContact O-N 3.2Å; Y134-V137 PolarHBondContact O-N 3.47Å; Y134-F138 WeakPolarHBondContact O-CD2 3.41Å; Y134-F138 PolarHBondContact O-N 2.87Å; Y134-A162 HydrophobicContact CE1-CB 4.07Å; Y134-A162 WeakPolarHBondContact OH-CB 3.32Å; Y134-V171 HydrophobicContact CE2-CB 4.41Å; Y134-V171 HydrophobicContact CE2-CG1 4.42Å; Y134-V171 HydrophobicContact CE2-CG2 4.47Å; Y134-V173 HydrophobicContact CD1-CG2 4.05Å; Y134-V173 HydrophobicContact CD2-CG2 3.48Å; Y134-V173 VanDerWaalsContact CD2-CG2 3.48Å; Y134-V173 HydrophobicContact CE1-CG2 4.14Å; Y134-V173 HydrophobicContact CE2-CG2 3.61Å; Y134-V173 HydrophobicContact CG-CG2 3.72Å
135	L	87.2	Confident	87.1	Confident	53 Å²	53	58.1 Å²	58.1	28%	0.277	30%	0.295	S	S	.	.	H	α-helix	trans	-64.7	-34.1	177.8	-70.2	172.5	0	0	0	112.1	D131 F138 R139 L180 Q181	D131-L135 WeakPolarHBondContact O-CB 3.32Å; D131-L135 WeakPolarHBondContact O-CD1 3.28Å; D131-L135 WeakPolarHBondContact O-CG 3.35Å; D131-L135 PolarHBondContact O-N 3.36Å; L135-F138 PolarHBondContact O-N 3.08Å; L135-R139 VanDerWaalsContact O-CB 3.23Å; L135-R139 WeakPolarHBondContact O-CB 3.41Å; L135-R139 PolarHBondContact O-N 3.43Å; L135-L180 HydrophobicContact CD1-CD1 4.21Å; L135-L180 HydrophobicContact CD2-CB 3.99Å; L135-L180 HydrophobicContact CD2-CD1 4.34Å; L135-Q181 HydrophobicContact CD2-CG 4.31Å
136	A	89.4	Confident	87.2	Confident	42 Å²	42	55.3 Å²	55.3	35%	0.347	28%	0.281	S	S	.	.	H	α-helix	trans	-65.2	-45.8	175.1	0	0	0	0	0	111.3	K132 D133 Y134 F138 R139 H140	K132-A136 WeakPolarHBondContact O-CB 3.37Å; K132-A136 PolarHBondContact O-N 2.91Å; D133-A136 PolarHBondContact O-N 3.19Å; Y134-A136 VanDerWaalsContact C-N 3.29Å; Y134-A136 PolarHBondContact O-N 3.2Å; A136-F138 VanDerWaalsContact C-N 3.34Å; A136-F138 PolarHBondContact O-N 3Å; A136-R139 PolarHBondContact O-N 3.32Å; A136-H140 VanDerWaalsContact O-CB 3.28Å; A136-H140 WeakPolarHBondContact O-CB 3.35Å; A136-H140 PolarHBondContact O-CD2 3.37Å; A136-H140 VanDerWaalsContact O-CD2 3.23Å; A136-H140 PolarHBondContact O-N 2.85Å
137	V	87.5	Confident	87.3	Confident	14 Å²	14	50.9 Å²	50.9	9%	0.085	26%	0.261	C	S	.	.	H	α-helix	trans	-57.8	-48.4	174.9	172.8	0	0	0	0	111	F98 I122 L124 D133 Y134 R139 I141 I142	F98-V137 HydrophobicContact CD1-CB 4.49Å; F98-V137 HydrophobicContact CD1-CG1 4.12Å; F98-V137 HydrophobicContact CE1-CB 3.54Å; F98-V137 HydrophobicContact CE1-CG1 3.31Å; F98-V137 HydrophobicContact CE1-CG2 4.02Å; F98-V137 HydrophobicContact CE2-CG1 4.08Å; F98-V137 HydrophobicContact CZ-CB 3.84Å; F98-V137 HydrophobicContact CZ-CG1 3.27Å; I122-V137 HydrophobicContact CB-CG1 4.43Å; I122-V137 HydrophobicContact CD1-CG1 3.5Å; I122-V137 HydrophobicContact CG2-CG1 3.79Å; I122-V137 HydrophobicContact CG2-CG2 4.12Å; L124-V137 HydrophobicContact CD2-CG2 3.98Å; D133-V137 WeakPolarHBondContact O-CG2 3.45Å; D133-V137 PolarHBondContact O-N 3.24Å; D133-V137 VanDerWaalsContact O-N 3.07Å; Y134-V137 PolarHBondContact O-N 3.47Å; V137-R139 PolarHBondContact O-N 2.93Å; V137-I141 HydrophobicContact CG1-CD1 4.43Å; V137-I141 WeakPolarHBondContact O-CA 3.48Å; V137-I141 WeakPolarHBondContact O-CB 3.34Å; V137-I141 PolarHBondContact O-N 3.41Å; V137-I142 HydrophobicContact CG1-CD1 4Å; V137-I142 HydrophobicContact CG1-CG1 4.28Å; V137-I142 PolarHBondContact O-N 2.85Å
138	F	85.8	Confident	87.3	Confident	5 Å²	5	54.9 Å²	54.9	2%	0.022	28%	0.275	C	S	.	.	I	π-helix	trans	-56.5	-51.5	177.7	-99.7	-82.8	0	0	0	111.9	I76 W78 F98 Y134 L135 A136 I142 V143 Q181 F186	I76-F138 HydrophobicContact CG2-CE1 4.13Å; I76-F138 HydrophobicContact CG2-CZ 3.79Å; W78-F138 HydrophobicContact CB-CE2 4.4Å; W78-F138 AromaticContact CE3-CE2 3.9Å; W78-F138 HydrophobicContact CE3-CE2 3.9Å; W78-F138 AromaticContact CE3-CZ 3.51Å; W78-F138 HydrophobicContact CE3-CZ 3.51Å; W78-F138 HydrophobicContact CZ3-CE2 4.48Å; W78-F138 AromaticContact CZ3-CZ 3.93Å; W78-F138 HydrophobicContact CZ3-CZ 3.93Å; F98-F138 HydrophobicContact CE1-CD2 4.42Å; F98-F138 HydrophobicContact CE1-CE2 4.36Å; F98-F138 HydrophobicContact CE2-CD2 4.32Å; F98-F138 AromaticContact CE2-CE2 3.68Å; F98-F138 HydrophobicContact CE2-CE2 3.68Å; F98-F138 HydrophobicContact CE2-CZ 4.18Å; F98-F138 AromaticContact CZ-CD2 3.56Å; F98-F138 HydrophobicContact CZ-CD2 3.56Å; F98-F138 AromaticContact CZ-CE2 3.33Å; F98-F138 HydrophobicContact CZ-CE2 3.33Å; F98-F138 HydrophobicContact CZ-CZ 4.22Å; Y134-F138 WeakPolarHBondContact O-CD2 3.41Å; Y134-F138 PolarHBondContact O-N 2.87Å; L135-F138 PolarHBondContact O-N 3.08Å; A136-F138 VanDerWaalsContact C-N 3.34Å; A136-F138 PolarHBondContact O-N 3Å; F138-I142 HydrophobicContact CD1-CB 4.24Å; F138-I142 HydrophobicContact CD1-CD1 4.08Å; F138-I142 HydrophobicContact CD1-CG2 4.22Å; F138-I142 HydrophobicContact CD2-CD1 4.12Å; F138-I142 HydrophobicContact CE1-CB 4.47Å; F138-I142 HydrophobicContact CE1-CD1 3.92Å; F138-I142 HydrophobicContact CE1-CG2 4.05Å; F138-I142 HydrophobicContact CE2-CD1 3.95Å; F138-I142 HydrophobicContact CG-CD1 4.15Å; F138-I142 HydrophobicContact CZ-CD1 3.8Å; F138-I142 PolarHBondContact O-N 3.25Å; F138-V143 WeakPolarHBondContact O-CB 3.47Å; F138-V143 WeakPolarHBondContact O-CG2 3.1Å; F138-V143 PolarHBondContact O-N 3.48Å; F138-Q181 HydrophobicContact CD2-CB 4.45Å; F138-Q181 HydrophobicContact CD2-CG 3.72Å; F138-Q181 HydrophobicContact CE2-CB 4.21Å; F138-Q181 HydrophobicContact CE2-CG 3.88Å; F138-Q181 HydrophobicContact CG-CG 4.25Å; F138-Q181 HydrophobicContact CZ-CB 4.42Å; F138-F186 AromaticContact CD1-CD2 3.65Å; F138-F186 HydrophobicContact CD1-CD2 3.65Å; F138-F186 AromaticContact CD1-CE2 3.8Å; F138-F186 HydrophobicContact CD1-CE2 3.8Å; F138-F186 AromaticContact CE1-CD2 3.75Å; F138-F186 HydrophobicContact CE1-CD2 3.75Å; F138-F186 AromaticContact CE1-CE2 3.88Å; F138-F186 HydrophobicContact CE1-CE2 3.88Å
139	R	85.1	Confident	87.3	Confident	149 Å²	149	51.7 Å²	51.7	56%	0.562	26%	0.255	S	S	*	.	I	π-helix	trans	-69.5	-39.2	-174.5	-174	-180	-175.4	-159.2	2.1	113.4	L135 A136 V137 P144	L135-R139 VanDerWaalsContact O-CB 3.23Å; L135-R139 WeakPolarHBondContact O-CB 3.41Å; L135-R139 PolarHBondContact O-N 3.43Å; A136-R139 PolarHBondContact O-N 3.32Å; V137-R139 PolarHBondContact O-N 2.93Å; R139-P144 WeakPolarHBondContact O-CD 3.24Å
140	H	88.8	Confident	87	Confident	120 Å²	120	55.6 Å²	55.6	56%	0.556	27%	0.273	S	S	*	.	I	π-helix	trans	-100.8	-16.1	-168.5	-65.6	-65.2	0	0	0	114	A136	A136-H140 VanDerWaalsContact O-CB 3.28Å; A136-H140 WeakPolarHBondContact O-CB 3.35Å; A136-H140 PolarHBondContact O-CD2 3.37Å; A136-H140 VanDerWaalsContact O-CD2 3.23Å; A136-H140 PolarHBondContact O-N 2.85Å
141	I	87.7	Confident	86.6	Confident	63 Å²	63	53.3 Å²	53.3	32%	0.323	26%	0.261	S	S	.	.	I	π-helix	trans	-122.4	-59.5	-178.1	-54.1	177.2	0	0	0	110	I122 V137 P144 I145	I122-I141 HydrophobicContact CD1-CB 4.09Å; I122-I141 HydrophobicContact CD1-CD1 4.36Å; I122-I141 HydrophobicContact CD1-CG2 3.57Å; I122-I141 HydrophobicContact CG1-CG2 4.19Å; I122-I141 HydrophobicContact CG2-CD1 3.98Å; V137-I141 HydrophobicContact CG1-CD1 4.43Å; V137-I141 WeakPolarHBondContact O-CA 3.48Å; V137-I141 WeakPolarHBondContact O-CB 3.34Å; V137-I141 PolarHBondContact O-N 3.41Å; I141-P144 WeakPolarHBondContact O-CD 3.46Å; I141-I145 HydrophobicContact CG2-CD1 3.66Å; I141-I145 WeakPolarHBondContact O-CB 3.26Å; I141-I145 WeakPolarHBondContact O-CD1 3.46Å; I141-I145 VanDerWaalsContact O-CG1 3.24Å; I141-I145 WeakPolarHBondContact O-CG1 3.2Å; I141-I145 PolarHBondContact O-N 3.25Å
142	I	85	Confident	86.4	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.005	27%	0.266	C	S	.	.	I	π-helix	trans	-71.6	-47	-169	-60.4	174.8	0	0	0	112.2	I76 F98 I122 V137 F138 I145 A146 F186	I76-I142 HydrophobicContact CD1-CG2 3.66Å; I76-I142 HydrophobicContact CG1-CG2 4Å; I76-I142 HydrophobicContact CG2-CD1 4.19Å; I76-I142 HydrophobicContact CG2-CG2 4.27Å; F98-I142 HydrophobicContact CD2-CD1 4.28Å; F98-I142 HydrophobicContact CE2-CD1 3.15Å; F98-I142 HydrophobicContact CZ-CD1 3.39Å; I122-I142 HydrophobicContact CD1-CD1 4.24Å; I122-I142 HydrophobicContact CD1-CG1 3.9Å; V137-I142 HydrophobicContact CG1-CD1 4Å; V137-I142 HydrophobicContact CG1-CG1 4.28Å; V137-I142 PolarHBondContact O-N 2.85Å; F138-I142 HydrophobicContact CD1-CB 4.24Å; F138-I142 HydrophobicContact CD1-CD1 4.08Å; F138-I142 HydrophobicContact CD1-CG2 4.22Å; F138-I142 HydrophobicContact CD2-CD1 4.12Å; F138-I142 HydrophobicContact CE1-CB 4.47Å; F138-I142 HydrophobicContact CE1-CD1 3.92Å; F138-I142 HydrophobicContact CE1-CG2 4.05Å; F138-I142 HydrophobicContact CE2-CD1 3.95Å; F138-I142 HydrophobicContact CG-CD1 4.15Å; F138-I142 HydrophobicContact CZ-CD1 3.8Å; F138-I142 PolarHBondContact O-N 3.25Å; I142-I145 PolarHBondContact O-N 3.33Å; I142-A146 VanDerWaalsContact O-CB 3.3Å; I142-A146 WeakPolarHBondContact O-CB 3.15Å; I142-A146 PolarHBondContact O-N 3.19Å; I142-F186 HydrophobicContact CG2-CE2 3.72Å; I142-F186 HydrophobicContact CG2-CZ 3.8Å
143	V	83.5	Confident	86.1	Confident	4 Å²	4	47.6 Å²	47.6	2%	0.024	24%	0.237	C	C	.	.	H	α-helix	trans	-60.3	-49.4	178.1	168.9	0	0	0	0	110.7	F138 I145 A146 L147 F186 Y193	F138-V143 WeakPolarHBondContact O-CB 3.47Å; F138-V143 WeakPolarHBondContact O-CG2 3.1Å; F138-V143 PolarHBondContact O-N 3.48Å; V143-I145 PolarHBondContact O-N 3.05Å; V143-A146 PolarHBondContact O-N 3.42Å; V143-L147 HydrophobicContact CG1-CD1 3.79Å; V143-L147 HydrophobicContact CG1-CG 4.25Å; V143-L147 WeakPolarHBondContact O-CB 3.3Å; V143-L147 WeakPolarHBondContact O-CG 3.3Å; V143-L147 PolarHBondContact O-N 2.99Å; V143-F186 HydrophobicContact CG2-CD2 4.01Å; V143-F186 HydrophobicContact CG2-CE2 3.61Å; V143-Y193 HydrophobicContact CG1-CD2 4.25Å
144	P	86.4	Confident	86	Confident	58 Å²	58	45.5 Å²	45.5	38%	0.377	23%	0.226	S	C	.	.	H	α-helix	trans	-54.8	-46.6	173.6	-30.3	37.3	0	0	0	114.2	R139 I141 A146 L147 E148	R139-P144 WeakPolarHBondContact O-CD 3.24Å; I141-P144 WeakPolarHBondContact O-CD 3.46Å; P144-A146 PolarHBondContact O-N 2.58Å; P144-L147 PolarHBondContact O-N 3.07Å; P144-E148 PolarHBondContact O-N 3.48Å
145	I	85.7	Confident	86	Confident	27 Å²	27	45.4 Å²	45.4	14%	0.138	23%	0.226	C	C	.	.	H	α-helix	trans	-60.1	-47	177	-72.5	166	0	0	0	111	V120 I141 I142 V143 L147 E148 Y149	V120-I145 HydrophobicContact CB-CD1 4.21Å; V120-I145 HydrophobicContact CG1-CD1 3.94Å; V120-I145 HydrophobicContact CG2-CD1 4.01Å; I141-I145 HydrophobicContact CG2-CD1 3.66Å; I141-I145 WeakPolarHBondContact O-CB 3.26Å; I141-I145 WeakPolarHBondContact O-CD1 3.46Å; I141-I145 VanDerWaalsContact O-CG1 3.24Å; I141-I145 WeakPolarHBondContact O-CG1 3.2Å; I141-I145 PolarHBondContact O-N 3.25Å; I142-I145 PolarHBondContact O-N 3.33Å; V143-I145 PolarHBondContact O-N 3.05Å; I145-L147 VanDerWaalsContact C-N 3.3Å; I145-L147 PolarHBondContact O-N 2.73Å; I145-E148 PolarHBondContact O-N 2.95Å; I145-Y149 WeakPolarHBondContact O-CB 3.35Å; I145-Y149 PolarHBondContact O-N 3.45Å
146	A	82.8	Confident	85.9	Confident	6 Å²	6	43 Å²	43	5%	0.05	21%	0.213	C	C	.	.	H	α-helix	trans	-62.6	-38.8	-179.1	0	0	0	0	0	112.1	L74 I142 V143 P144 Q150 F186 I190	L74-A146 HydrophobicContact CD2-CB 3.57Å; I142-A146 VanDerWaalsContact O-CB 3.3Å; I142-A146 WeakPolarHBondContact O-CB 3.15Å; I142-A146 PolarHBondContact O-N 3.19Å; V143-A146 PolarHBondContact O-N 3.42Å; P144-A146 PolarHBondContact O-N 2.58Å; A146-Q150 PolarHBondContact O-N 3.09Å; A146-Q150 VanDerWaalsContact O-N 3.09Å; A146-F186 HydrophobicContact CB-CZ 4.03Å; A146-I190 HydrophobicContact CB-CD1 3.65Å
147	L	82.9	Confident	85.8	Confident	39 Å²	39	41.3 Å²	41.3	20%	0.204	20%	0.199	C	C	.	.	H	α-helix	trans	-65.6	-41.6	176	-69.8	170.7	0	0	0	112.1	V143 P144 I145 Q150 I190 Y193 L194	V143-L147 HydrophobicContact CG1-CD1 3.79Å; V143-L147 HydrophobicContact CG1-CG 4.25Å; V143-L147 WeakPolarHBondContact O-CB 3.3Å; V143-L147 WeakPolarHBondContact O-CG 3.3Å; V143-L147 PolarHBondContact O-N 2.99Å; P144-L147 PolarHBondContact O-N 3.07Å; I145-L147 VanDerWaalsContact C-N 3.3Å; I145-L147 PolarHBondContact O-N 2.73Å; L147-Q150 WeakPolarHBondContact O-CG 3.26Å; L147-I190 HydrophobicContact CD2-CG2 4.02Å; L147-Y193 HydrophobicContact CD1-CG 4.22Å; L147-L194 HydrophobicContact CD2-CD1 3.82Å; L147-L194 HydrophobicContact CD2-CD2 3.59Å; L147-L194 HydrophobicContact CD2-CG 3.38Å
148	E	85.7	Confident	85.6	Confident	166 Å²	166	40.7 Å²	40.7	78%	0.776	20%	0.195	S	C	*	.	H	α-helix	trans	-71.2	-42.9	178.8	-175.3	171.7	-176.9	0	0	111.9	P144 I145 Q150	P144-E148 PolarHBondContact O-N 3.48Å; I145-E148 PolarHBondContact O-N 2.95Å; E148-Q150 PolarHBondContact O-N 2.92Å
149	Y	85.8	Confident	85.6	Confident	32 Å²	32	40.5 Å²	40.5	13%	0.125	20%	0.195	C	C	.	.	H	α-helix	trans	-71.9	-29.9	-177.6	-174.5	-116.8	0	0	0	113.6	K72 V73 L74 Q94 F118 I145 S151	K72-Y149 HydrophobicContact CB-CE1 4.06Å; K72-Y149 PolarHBondContact NZ-O 3.39Å; V73-Y149 WeakPolarHBondContact O-CE1 3.26Å; L74-Y149 HydrophobicContact CB-CD1 4.24Å; L74-Y149 HydrophobicContact CB-CE1 4.36Å; Q94-Y149 HydrophobicContact CB-CD1 4.04Å; Q94-Y149 HydrophobicContact CB-CD2 4.23Å; Q94-Y149 HydrophobicContact CB-CE1 3.76Å; Q94-Y149 HydrophobicContact CB-CE2 3.97Å; Q94-Y149 HydrophobicContact CB-CG 4.27Å; F118-Y149 AromaticContact CD1-CE2 3.85Å; F118-Y149 HydrophobicContact CD1-CE2 3.85Å; F118-Y149 AromaticContact CE1-CE2 3.9Å; F118-Y149 HydrophobicContact CE1-CE2 3.9Å; I145-Y149 WeakPolarHBondContact O-CB 3.35Å; I145-Y149 PolarHBondContact O-N 3.45Å; Y149-S151 PolarHBondContact O-N 3.19Å
150	Q	83.9	Confident	85.7	Confident	105 Å²	105	37.4 Å²	37.4	49%	0.491	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	57.9	178.5	-58.4	-173.4	-44.3	0	0	112.6	K72 A146 L147 E148	K72-Q150 WeakPolarHBondContact CE-O 3.48Å; K72-Q150 PolarHBondContact NZ-O 2.86Å; A146-Q150 PolarHBondContact O-N 3.09Å; A146-Q150 VanDerWaalsContact O-N 3.09Å; L147-Q150 WeakPolarHBondContact O-CG 3.26Å; E148-Q150 PolarHBondContact O-N 2.92Å
151	S	84.8	Confident	85.6	Confident	5 Å²	5	31.8 Å²	31.8	4%	0.035	16%	0.158	C	C	.	.			trans	-64.5	156.1	177	57.6	0	0	0	0	112.3	L74 Y149 V154 T200	L74-S151 WeakPolarHBondContact CB-OG 3.45Å; Y149-S151 PolarHBondContact O-N 3.19Å; S151-V154 WeakPolarHBondContact OG-CG2 3.05Å; S151-T200 WeakPolarHBondContact O-CG2 3.35Å; S151-T200 PolarHBondContact O-OG1 2.72Å
152	D	86.1	Confident	85.6	Confident	63 Å²	63	28.8 Å²	28.8	34%	0.337	14%	0.142	S	C	.	.	S	Bend	trans	-85.3	-31.1	171.8	-50.2	-53	0	0	0	111	V70 K71 K72 R201	V70-D152 HydrophobicContact CG1-CB 4.2Å; K71-D152 WeakPolarHBondContact CA-OD2 3.22Å; K71-D152 VanDerWaalsContact CB-OD2 3.32Å; K71-D152 WeakPolarHBondContact CB-OD2 3.26Å; K71-D152 PolarHBondContact N-OD2 3.12Å; K72-D152 PolarHBondContact N-OD2 2.78Å; K72-D152 PolarHBondContact O-N 3.48Å; D152-R201 PolarHBondContact O-N 2.92Å
153	L	86.8	Confident	85.8	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	130.8	-177.1	179.1	64.2	0	0	0	110.5	T21 V24 I25 A64 V70 K72 V73 L74 F155 R201 V203	T21-L153 HydrophobicContact CG2-CD2 3.71Å; V24-L153 HydrophobicContact CG1-CD1 4.28Å; I25-L153 HydrophobicContact CD1-CB 4.37Å; I25-L153 HydrophobicContact CD1-CD1 4.14Å; I25-L153 HydrophobicContact CD1-CD2 4.25Å; I25-L153 HydrophobicContact CD1-CG 4.5Å; I25-L153 HydrophobicContact CG1-CD2 4.46Å; A64-L153 HydrophobicContact CB-CD2 3.85Å; V70-L153 HydrophobicContact CG1-CB 3.99Å; V70-L153 HydrophobicContact CG2-CD2 4.46Å; K72-L153 PolarHBondContact O-N 3.08Å; V73-L153 WeakPolarHBondContact CA-O 3.07Å; V73-L153 HydrophobicContact CG2-CB 4.47Å; L74-L153 PolarHBondContact N-O 2.9Å; L153-F155 HydrophobicContact CD2-CD2 4.36Å; L153-F155 HydrophobicContact CD2-CE2 3.48Å; L153-F155 VanDerWaalsContact CD2-CE2 3.48Å; L153-F155 HydrophobicContact CD2-CZ 3.65Å; L153-F155 HydrophobicContact CG-CD2 4.46Å; L153-F155 HydrophobicContact CG-CE2 4.03Å; L153-F155 HydrophobicContact CG-CZ 4.4Å; L153-R201 WeakPolarHBondContact CA-O 3.38Å; L153-V203 HydrophobicContact CD1-CG2 4.24Å
154	V	87.3	Confident	86.2	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	130.7	171.8	-173.9	0	0	0	0	110	L74 I76 S151 V156 F186 F187 T200 R201 A202 V203	L74-V154 HydrophobicContact CB-CG1 4.49Å; L74-V154 HydrophobicContact CB-CG2 4.25Å; L74-V154 HydrophobicContact CD2-CG1 4.36Å; L74-V154 HydrophobicContact CD2-CG2 4.25Å; L74-V154 HydrophobicContact CG-CG1 4.39Å; L74-V154 CarbonylContact O-C 3.52Å; L74-V154 VanDerWaalsContact O-CA 3.28Å; L74-V154 WeakPolarHBondContact O-CA 3.17Å; I76-V154 HydrophobicContact CD1-CG1 3.85Å; I76-V154 HydrophobicContact CG1-CG1 4.33Å; S151-V154 WeakPolarHBondContact OG-CG2 3.05Å; V154-V156 HydrophobicContact CG1-CG2 4.26Å; V154-F186 HydrophobicContact CG1-CE1 4.42Å; V154-F187 HydrophobicContact CB-CE2 4.08Å; V154-F187 HydrophobicContact CB-CZ 3.75Å; V154-F187 HydrophobicContact CG2-CE2 4.25Å; V154-F187 HydrophobicContact CG2-CZ 3.62Å; V154-T200 HydrophobicContact CG2-CG2 3.87Å; V154-R201 PolarHBondContact N-O 2.78Å; V154-A202 HydrophobicContact CB-CB 4.34Å; V154-A202 WeakPolarHBondContact O-CA 3.32Å; V154-V203 PolarHBondContact O-N 3.27Å
155	F	87.6	Confident	86.3	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	142.6	162.1	-70.5	-80.6	0	0	0	110.2	V17 T21 V57 A60 A61 V73 L74 I75 I76 L153 V203	V17-F155 HydrophobicContact CG1-CD1 4.16Å; V17-F155 HydrophobicContact CG1-CE1 3.85Å; T21-F155 HydrophobicContact CG2-CZ 4.04Å; T21-F155 WeakPolarHBondContact OG1-CE1 3.21Å; T21-F155 WeakPolarHBondContact OG1-CZ 3.34Å; V57-F155 HydrophobicContact CG1-CB 3.65Å; V57-F155 HydrophobicContact CG1-CD1 4.41Å; V57-F155 HydrophobicContact CG1-CD2 4.31Å; V57-F155 HydrophobicContact CG1-CG 3.89Å; A60-F155 HydrophobicContact CB-CE1 3.69Å; A60-F155 HydrophobicContact CB-CZ 3.62Å; A61-F155 HydrophobicContact CB-CD2 4.22Å; A61-F155 HydrophobicContact CB-CE2 3.89Å; V73-F155 HydrophobicContact CG1-CD2 3.59Å; V73-F155 HydrophobicContact CG1-CE2 3.89Å; L74-F155 PolarHBondContact O-N 3.49Å; I75-F155 CarbonylContact C-O 3.52Å; I75-F155 WeakPolarHBondContact CA-O 3.39Å; I75-F155 HydrophobicContact CG1-CB 4.15Å; I75-F155 HydrophobicContact CG1-CD2 4.41Å; I76-F155 PolarHBondContact N-O 2.83Å; L153-F155 HydrophobicContact CD2-CD2 4.36Å; L153-F155 HydrophobicContact CD2-CE2 3.48Å; L153-F155 VanDerWaalsContact CD2-CE2 3.48Å; L153-F155 HydrophobicContact CD2-CZ 3.65Å; L153-F155 HydrophobicContact CG-CD2 4.46Å; L153-F155 HydrophobicContact CG-CE2 4.03Å; L153-F155 HydrophobicContact CG-CZ 4.4Å; F155-V203 WeakPolarHBondContact CA-O 3.49Å; F155-V203 HydrophobicContact CD1-CB 3.81Å; F155-V203 HydrophobicContact CD1-CG1 4.04Å; F155-V203 HydrophobicContact CE1-CB 3.8Å; F155-V203 HydrophobicContact CE1-CG1 3.98Å; F155-V203 HydrophobicContact CE1-CG2 4.26Å
156	V	86.4	Confident	86.4	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.012	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	113	171.3	-174	0	0	0	0	108.6	I76 W78 V154 A158 V183 V203 Y205	I76-V156 HydrophobicContact CB-CG2 4.5Å; I76-V156 CarbonylContact O-C 3.57Å; I76-V156 VanDerWaalsContact O-CA 3.26Å; I76-V156 WeakPolarHBondContact O-CA 3.3Å; W78-V156 HydrophobicContact CD2-CG1 4.26Å; W78-V156 HydrophobicContact CE3-CG1 3.56Å; W78-V156 HydrophobicContact CH2-CG1 3.79Å; W78-V156 HydrophobicContact CZ2-CG1 4.4Å; W78-V156 HydrophobicContact CZ3-CG1 3.31Å; V154-V156 HydrophobicContact CG1-CG2 4.26Å; V156-A158 HydrophobicContact CG1-CB 4.13Å; V156-A158 PolarHBondContact O-N 2.77Å; V156-V183 HydrophobicContact CB-CG2 4.4Å; V156-V183 HydrophobicContact CG2-CG2 3.75Å; V156-V203 PolarHBondContact N-O 3.01Å; V156-V203 VanDerWaalsContact N-O 3.17Å; V156-Y205 PolarHBondContact O-N 3.47Å
157	S	85.7	Confident	86.5	Confident	8 Å²	8	38.3 Å²	38.3	6%	0.056	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	93.7	164.3	-70.1	0	0	0	0	107.6	I76 D77 W78 G159	I76-S157 PolarHBondContact O-N 3.09Å; D77-S157 VanDerWaalsContact CG-CB 3.44Å; D77-S157 VanDerWaalsContact OD1-CB 3.3Å; D77-S157 WeakPolarHBondContact OD1-CB 3.06Å; W78-S157 PolarHBondContact N-O 3.08Å; S157-G159 PolarHBondContact O-N 2.99Å
158	A	83.9	Confident	86.5	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.227	C	C	.	.			trans	-97.8	71.5	-173.7	0	0	0	0	0	111.2	W78 V156 Y205 Y206	W78-A158 HydrophobicContact CD2-CB 4.46Å; W78-A158 HydrophobicContact CH2-CB 3.97Å; W78-A158 HydrophobicContact CZ2-CB 3.28Å; V156-A158 HydrophobicContact CG1-CB 4.13Å; V156-A158 PolarHBondContact O-N 2.77Å; A158-Y205 WeakPolarHBondContact CB-O 3.43Å; A158-Y205 PolarHBondContact N-O 2.86Å; A158-Y206 HydrophobicContact CB-CD1 3.35Å; A158-Y206 HydrophobicContact CB-CE1 3.52Å; A158-Y206 HydrophobicContact CB-CG 4.21Å
159	G	85.4	Confident	86.2	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.01	20%	0.195	C	C	.	.			trans	-61.7	143.8	168.2	0	0	0	0	0	111.3	W78 D79 S157	W78-G159 VanDerWaalsContact CD1-O 3.26Å; W78-G159 PolarHBondContact NE1-O 3.02Å; D79-G159 WeakPolarHBondContact OD2-CA 3.46Å; S157-G159 PolarHBondContact O-N 2.99Å
160	Y	86.7	Confident	86.2	Confident	85 Å²	85	35.6 Å²	35.6	33%	0.333	22%	0.215	S	C	.	.			trans	-109	11	178.5	-73.2	-59.1	0	0	0	113.1	A162 A163 F178 Y206	Y160-A162 PolarHBondContact O-N 3.39Å; Y160-A163 WeakPolarHBondContact O-CB 3.37Å; Y160-A163 PolarHBondContact O-N 3.04Å; Y160-F178 AromaticContact CD1-CD1 3.8Å; Y160-F178 HydrophobicContact CD1-CD1 3.8Å; Y160-F178 AromaticContact CD1-CD2 3.84Å; Y160-F178 HydrophobicContact CD1-CD2 3.84Å; Y160-F178 AromaticContact CD1-CE1 3.8Å; Y160-F178 HydrophobicContact CD1-CE1 3.8Å; Y160-F178 AromaticContact CD1-CE2 3.85Å; Y160-F178 HydrophobicContact CD1-CE2 3.85Å; Y160-F178 AromaticContact CD1-CG 3.82Å; Y160-F178 HydrophobicContact CD1-CG 3.82Å; Y160-F178 AromaticContact CD1-CZ 3.81Å; Y160-F178 HydrophobicContact CD1-CZ 3.81Å; Y160-F178 HydrophobicContact CE1-CB 3.89Å; Y160-F178 AromaticContact CE1-CD1 3.84Å; Y160-F178 HydrophobicContact CE1-CD1 3.84Å; Y160-F178 AromaticContact CE1-CD2 3.97Å; Y160-F178 HydrophobicContact CE1-CD2 3.97Å; Y160-F178 HydrophobicContact CE1-CE1 4.32Å; Y160-F178 HydrophobicContact CE1-CE2 4.44Å; Y160-F178 AromaticContact CE1-CG 3.64Å; Y160-F178 HydrophobicContact CE1-CG 3.64Å; Y160-Y206 HydrophobicContact CD2-CD1 4.27Å; Y160-Y206 HydrophobicContact CE1-CD1 4.17Å; Y160-Y206 HydrophobicContact CE1-CE1 4.15Å; Y160-Y206 AromaticContact CE2-CD1 3.29Å; Y160-Y206 HydrophobicContact CE2-CD1 3.29Å; Y160-Y206 AromaticContact CE2-CE1 3.99Å; Y160-Y206 HydrophobicContact CE2-CE1 3.99Å; Y160-Y206 AromaticContact CE2-CG 3.91Å; Y160-Y206 HydrophobicContact CE2-CG 3.91Å; Y160-Y206 AromaticContact CZ-CD1 3.25Å; Y160-Y206 AromaticContact CZ-CE1 3.42Å; Y160-Y206 VanDerWaalsContact CZ-CE1 3.42Å; Y160-Y206 WeakPolarHBondContact OH-CD1 3.4Å; Y160-Y206 WeakPolarHBondContact OH-CE1 3.05Å
161	D	86.7	Confident	86.4	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.005	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-13.6	173.3	48.9	15.5	0	0	0	113.5	V80 H81 A163 C166 L168 G169	V80-D161 HydrophobicContact CG2-CB 3.93Å; V80-D161 WeakPolarHBondContact CG2-OD1 2.83Å; V80-D161 WeakPolarHBondContact CG2-OD2 3.41Å; V80-D161 PolarHBondContact N-OD1 3.06Å; H81-D161 IonicContact CE1-OD2 3.13Å; H81-D161 PolarHBondContact CE1-OD2 3.27Å; H81-D161 IonicContact CG-OD2 3.74Å; H81-D161 IonicContact ND1-OD2 3.3Å; H81-D161 PolarHBondContact ND1-OD2 2.69Å; D161-A163 PolarHBondContact O-N 3Å; D161-C166 VanDerWaalsContact CA-SG 3.53Å; D161-C166 VanDerWaalsContact O-CB 3.3Å; D161-C166 WeakPolarHBondContact O-CB 3.1Å; D161-C166 PolarHBondContact O-SG 3.29Å; D161-L168 HydrophobicContact CB-CB 4.22Å; D161-G169 VanDerWaalsContact O-CA 3.32Å; D161-G169 WeakPolarHBondContact O-CA 3.03Å; D161-G169 PolarHBondContact O-N 2.91Å
162	A	88.8	Confident	86.7	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-8.3	166.4	0	0	0	0	0	114.2	V80 Y134 Y160 V171 V173 F178	V80-A162 HydrophobicContact CG1-CB 3.57Å; Y134-A162 HydrophobicContact CE1-CB 4.07Å; Y134-A162 WeakPolarHBondContact OH-CB 3.32Å; Y160-A162 PolarHBondContact O-N 3.39Å; A162-V171 HydrophobicContact CB-CG2 3.59Å; A162-V171 WeakPolarHBondContact O-CG2 3.11Å; A162-V173 HydrophobicContact CB-CB 4.29Å; A162-V173 HydrophobicContact CB-CG2 3.86Å; A162-V173 VanDerWaalsContact O-CB 3.26Å; A162-V173 WeakPolarHBondContact O-CB 3.15Å; A162-V173 WeakPolarHBondContact O-CG2 3.23Å; A162-V173 PolarHBondContact O-N 3.29Å; A162-F178 HydrophobicContact CB-CE1 4.25Å; A162-F178 HydrophobicContact CB-CZ 3.88Å
163	A	90.1	Very high	86.9	Confident	25 Å²	25	34.2 Å²	34.2	21%	0.207	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-67.9	146.3	-172.1	0	0	0	0	0	113	Y160 D161 G165 C166 V173 F178	Y160-A163 WeakPolarHBondContact O-CB 3.37Å; Y160-A163 PolarHBondContact O-N 3.04Å; D161-A163 PolarHBondContact O-N 3Å; A163-G165 PolarHBondContact O-N 2.81Å; A163-C166 WeakPolarHBondContact O-CB 3.49Å; A163-C166 PolarHBondContact O-N 3.3Å; A163-V173 CarbonylContact C-O 3.58Å; A163-V173 WeakPolarHBondContact CA-O 3.29Å; A163-F178 HydrophobicContact CB-CE2 3.7Å; A163-F178 HydrophobicContact CB-CZ 4.15Å
164	V	90.7	Very high	87.1	Confident	74 Å²	74	35.1 Å²	35.1	45%	0.448	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	123	171.9	64.6	0	0	0	0	111.3	C166 V173	V164-C166 VanDerWaalsContact C-N 3.34Å; V164-V173 PolarHBondContact N-O 3.13Å
165	G	88.8	Confident	87.1	Confident	73 Å²	73	39.4 Å²	39.4	75%	0.753	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	86	-2.5	-179	0	0	0	0	0	114.9	A163	A163-G165 PolarHBondContact O-N 2.81Å
166	C	87.9	Confident	87.1	Confident	34 Å²	34	45.9 Å²	45.9	23%	0.23	27%	0.265	C	S	.	.			trans	-67.9	128.8	170.5	-173.5	0	0	0	0	110.1	D161 A163 V164 L168	D161-C166 VanDerWaalsContact CA-SG 3.53Å; D161-C166 VanDerWaalsContact O-CB 3.3Å; D161-C166 WeakPolarHBondContact O-CB 3.1Å; D161-C166 PolarHBondContact O-SG 3.29Å; A163-C166 WeakPolarHBondContact O-CB 3.49Å; A163-C166 PolarHBondContact O-N 3.3Å; V164-C166 VanDerWaalsContact C-N 3.34Å; C166-L168 PolarHBondContact O-N 3.28Å
167	P	85	Confident	87	Confident	91 Å²	91	45.8 Å²	45.8	59%	0.591	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-8.5	-179.9	30.6	-35.9	0	0	0	113.9
168	L	82.8	Confident	86.9	Confident	68 Å²	68	45.7 Å²	45.7	36%	0.356	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-40.8	-172.3	-59.5	179.1	0	0	0	113.4	D161 C166	D161-L168 HydrophobicContact CB-CB 4.22Å; C166-L168 PolarHBondContact O-N 3.28Å
169	G	79.8	Confident	86.6	Confident	10 Å²	10	47.1 Å²	47.1	10%	0.103	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-16	-171.5	0	0	0	0	0	116.5	D161 V171	D161-G169 VanDerWaalsContact O-CA 3.32Å; D161-G169 WeakPolarHBondContact O-CA 3.03Å; D161-G169 PolarHBondContact O-N 2.91Å; G169-V171 PolarHBondContact O-N 3.17Å
170	N	84.8	Confident	86	Confident	102 Å²	102	50.7 Å²	50.7	55%	0.545	30%	0.297	S	S	.	.			trans	50.8	23.9	-172.5	-67.9	-49.8	0	0	0	114.6	V127 N128	V127-N170 HydrophobicContact CG1-CB 4.17Å; N128-N170 PolarHBondContact N-O 3.09Å
171	V	87.5	Confident	84.8	Confident	11 Å²	11	46.8 Å²	46.8	7%	0.067	28%	0.281	C	S	.	.			trans	-123.5	171.9	176.6	-66.4	0	0	0	0	109.4	V80 L129 Y134 A162 G169	V80-V171 HydrophobicContact CG1-CG2 3.88Å; L129-V171 HydrophobicContact CB-CG1 3.89Å; L129-V171 CarbonylContact O-C 3.59Å; L129-V171 WeakPolarHBondContact O-CB 3.41Å; Y134-V171 HydrophobicContact CE2-CB 4.41Å; Y134-V171 HydrophobicContact CE2-CG1 4.42Å; Y134-V171 HydrophobicContact CE2-CG2 4.47Å; A162-V171 HydrophobicContact CB-CG2 3.59Å; A162-V171 WeakPolarHBondContact O-CG2 3.11Å; G169-V171 PolarHBondContact O-N 3.17Å
172	R	90.9	Very high	83.6	Confident	133 Å²	133	47.8 Å²	47.8	50%	0.502	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-134.1	43.2	-163.6	-57.2	176.9	63.5	84.6	3.7	112.3	L129 D130 S174	L129-R172 PolarHBondContact O-N 3.21Å; D130-R172 HydrophobicContact CB-CB 4.36Å; R172-S174 PolarHBondContact O-N 3.38Å
173	V	90.5	Very high	82.1	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-71.3	127.9	179.4	-175.4	0	0	0	0	110.2	D131 Y134 A162 A163 V164 A177 F178	D131-V173 WeakPolarHBondContact OD1-CA 3.41Å; Y134-V173 HydrophobicContact CD1-CG2 4.05Å; Y134-V173 HydrophobicContact CD2-CG2 3.48Å; Y134-V173 VanDerWaalsContact CD2-CG2 3.48Å; Y134-V173 HydrophobicContact CE1-CG2 4.14Å; Y134-V173 HydrophobicContact CE2-CG2 3.61Å; Y134-V173 HydrophobicContact CG-CG2 3.72Å; A162-V173 HydrophobicContact CB-CB 4.29Å; A162-V173 HydrophobicContact CB-CG2 3.86Å; A162-V173 VanDerWaalsContact O-CB 3.26Å; A162-V173 WeakPolarHBondContact O-CB 3.15Å; A162-V173 WeakPolarHBondContact O-CG2 3.23Å; A162-V173 PolarHBondContact O-N 3.29Å; A163-V173 CarbonylContact C-O 3.58Å; A163-V173 WeakPolarHBondContact CA-O 3.29Å; V164-V173 PolarHBondContact N-O 3.13Å; V173-A177 HydrophobicContact CG1-CB 3.66Å; V173-F178 HydrophobicContact CB-CE1 4.49Å; V173-F178 HydrophobicContact CB-CE2 3.88Å; V173-F178 HydrophobicContact CB-CZ 3.86Å; V173-F178 HydrophobicContact CG1-CD1 4.24Å; V173-F178 HydrophobicContact CG1-CD2 3.89Å; V173-F178 HydrophobicContact CG1-CE1 4.06Å; V173-F178 HydrophobicContact CG1-CE2 3.7Å; V173-F178 HydrophobicContact CG1-CG 4.16Å; V173-F178 HydrophobicContact CG1-CZ 3.8Å
174	S	91.4	Very high	80.6	Confident	18 Å²	18	52.6 Å²	52.6	13%	0.126	31%	0.311	C	S	.	.			trans	-77.4	155.6	178.3	75.7	0	0	0	0	111.6	D131 R172 Q176 A177 F178	D131-S174 VanDerWaalsContact CG-OG 3.26Å; D131-S174 PolarHBondContact OD1-N 2.95Å; D131-S174 PolarHBondContact OD1-OG 3.1Å; D131-S174 VanDerWaalsContact OD2-CB 3.26Å; D131-S174 WeakPolarHBondContact OD2-CB 3.28Å; D131-S174 PolarHBondContact OD2-OG 3.5Å; R172-S174 PolarHBondContact O-N 3.38Å; S174-Q176 PolarHBondContact O-N 2.65Å; S174-Q176 VanDerWaalsContact O-N 3.17Å; S174-Q176 PolarHBondContact OG-N 2.78Å; S174-Q176 PolarHBondContact OG-OE1 2.93Å; S174-A177 PolarHBondContact O-N 2.84Å; S174-A177 PolarHBondContact OG-N 3Å; S174-A177 VanDerWaalsContact OG-N 3.09Å; S174-F178 VanDerWaalsContact O-CD2 3.3Å; S174-F178 WeakPolarHBondContact O-CD2 3.23Å; S174-F178 PolarHBondContact O-N 3.21Å; S174-F178 VanDerWaalsContact O-N 3.15Å
175	P	88	Confident	79.2	Confident	92 Å²	92	51.7 Å²	51.7	60%	0.597	30%	0.304	S	S	*	.	H	α-helix	trans	-53.2	-33.9	170.1	-27.3	36	0	0	0	113.3	F178 G179	P175-F178 PolarHBondContact O-N 3.23Å; P175-G179 PolarHBondContact O-N 2.87Å; P175-G179 VanDerWaalsContact O-N 3.1Å
176	Q	86.7	Confident	78	Confident	135 Å²	135	48.2 Å²	48.2	63%	0.631	27%	0.268	S	S	*	.	H	α-helix	trans	-65.6	-43.5	177.2	-66.7	77.2	8.5	0	0	111.3	S174 F178 G179 L180	S174-Q176 PolarHBondContact O-N 2.65Å; S174-Q176 VanDerWaalsContact O-N 3.17Å; S174-Q176 PolarHBondContact OG-N 2.78Å; S174-Q176 PolarHBondContact OG-OE1 2.93Å; Q176-F178 PolarHBondContact O-N 3.1Å; Q176-G179 WeakPolarHBondContact O-CA 3.21Å; Q176-G179 PolarHBondContact O-N 2.86Å; Q176-G179 VanDerWaalsContact O-N 3.08Å; Q176-L180 WeakPolarHBondContact O-CG 3.49Å; Q176-L180 PolarHBondContact O-N 3.36Å
177	A	85.7	Confident	76.7	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.8	-36.7	177.3	0	0	0	0	0	112.5	D131 V173 S174 G179 L180 Q181	D131-A177 HydrophobicContact CB-CB 3.84Å; D131-A177 WeakPolarHBondContact OD1-CB 3.17Å; V173-A177 HydrophobicContact CG1-CB 3.66Å; S174-A177 PolarHBondContact O-N 2.84Å; S174-A177 PolarHBondContact OG-N 3Å; S174-A177 VanDerWaalsContact OG-N 3.09Å; A177-G179 VanDerWaalsContact C-N 3.26Å; A177-G179 PolarHBondContact O-N 3.05Å; A177-L180 PolarHBondContact O-N 3.4Å; A177-Q181 WeakPolarHBondContact O-CB 3.42Å; A177-Q181 WeakPolarHBondContact O-CG 3.49Å; A177-Q181 PolarHBondContact O-N 2.9Å; A177-Q181 PolarHBondContact O-NE2 3.31Å
178	F	82.9	Confident	75.4	Confident	7 Å²	7	47.1 Å²	47.1	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-63.1	-34.2	170.2	-71.4	-67.2	0	0	0	112.6	W78 Y160 A162 A163 V173 S174 P175 Q176 Q181 S182	W78-F178 AromaticContact CZ2-CD1 3.99Å; W78-F178 HydrophobicContact CZ2-CD1 3.99Å; W78-F178 AromaticContact NE1-CD1 3.8Å; W78-F178 AromaticContact NE1-CE1 3.66Å; Y160-F178 AromaticContact CD1-CD1 3.8Å; Y160-F178 HydrophobicContact CD1-CD1 3.8Å; Y160-F178 AromaticContact CD1-CD2 3.84Å; Y160-F178 HydrophobicContact CD1-CD2 3.84Å; Y160-F178 AromaticContact CD1-CE1 3.8Å; Y160-F178 HydrophobicContact CD1-CE1 3.8Å; Y160-F178 AromaticContact CD1-CE2 3.85Å; Y160-F178 HydrophobicContact CD1-CE2 3.85Å; Y160-F178 AromaticContact CD1-CG 3.82Å; Y160-F178 HydrophobicContact CD1-CG 3.82Å; Y160-F178 AromaticContact CD1-CZ 3.81Å; Y160-F178 HydrophobicContact CD1-CZ 3.81Å; Y160-F178 HydrophobicContact CE1-CB 3.89Å; Y160-F178 AromaticContact CE1-CD1 3.84Å; Y160-F178 HydrophobicContact CE1-CD1 3.84Å; Y160-F178 AromaticContact CE1-CD2 3.97Å; Y160-F178 HydrophobicContact CE1-CD2 3.97Å; Y160-F178 HydrophobicContact CE1-CE1 4.32Å; Y160-F178 HydrophobicContact CE1-CE2 4.44Å; Y160-F178 AromaticContact CE1-CG 3.64Å; Y160-F178 HydrophobicContact CE1-CG 3.64Å; A162-F178 HydrophobicContact CB-CE1 4.25Å; A162-F178 HydrophobicContact CB-CZ 3.88Å; A163-F178 HydrophobicContact CB-CE2 3.7Å; A163-F178 HydrophobicContact CB-CZ 4.15Å; V173-F178 HydrophobicContact CB-CE1 4.49Å; V173-F178 HydrophobicContact CB-CE2 3.88Å; V173-F178 HydrophobicContact CB-CZ 3.86Å; V173-F178 HydrophobicContact CG1-CD1 4.24Å; V173-F178 HydrophobicContact CG1-CD2 3.89Å; V173-F178 HydrophobicContact CG1-CE1 4.06Å; V173-F178 HydrophobicContact CG1-CE2 3.7Å; V173-F178 HydrophobicContact CG1-CG 4.16Å; V173-F178 HydrophobicContact CG1-CZ 3.8Å; S174-F178 VanDerWaalsContact O-CD2 3.3Å; S174-F178 WeakPolarHBondContact O-CD2 3.23Å; S174-F178 PolarHBondContact O-N 3.21Å; S174-F178 VanDerWaalsContact O-N 3.15Å; P175-F178 PolarHBondContact O-N 3.23Å; Q176-F178 PolarHBondContact O-N 3.1Å; F178-Q181 CarbonylContact O-C 3.24Å; F178-Q181 PolarHBondContact O-N 3.27Å; F178-S182 WeakPolarHBondContact O-CA 3.45Å; F178-S182 WeakPolarHBondContact O-CB 3.45Å; F178-S182 PolarHBondContact O-N 3Å
179	G	77.3	Confident	74.2	Confident	30 Å²	30	46.6 Å²	46.6	31%	0.309	25%	0.249	S	C	.	.	H	α-helix	trans	-62	-46.4	172.4	0	0	0	0	0	112.2	P175 Q176 A177 Q181 S182	P175-G179 PolarHBondContact O-N 2.87Å; P175-G179 VanDerWaalsContact O-N 3.1Å; Q176-G179 WeakPolarHBondContact O-CA 3.21Å; Q176-G179 PolarHBondContact O-N 2.86Å; Q176-G179 VanDerWaalsContact O-N 3.08Å; A177-G179 VanDerWaalsContact C-N 3.26Å; A177-G179 PolarHBondContact O-N 3.05Å; G179-Q181 VanDerWaalsContact C-N 3.28Å; G179-Q181 PolarHBondContact O-N 3.49Å; G179-S182 WeakPolarHBondContact O-CB 3.36Å; G179-S182 PolarHBondContact O-N 3.25Å; G179-S182 PolarHBondContact O-OG 2.9Å
180	L	72.4	Confident	73	Confident	76 Å²	76	46.4 Å²	46.4	40%	0.398	25%	0.245	S	C	.	.	H	α-helix	trans	-67	-28.7	177.6	-67.8	173.1	0	0	0	113.4	L135 Q176 A177 D185	L135-L180 HydrophobicContact CD1-CD1 4.21Å; L135-L180 HydrophobicContact CD2-CB 3.99Å; L135-L180 HydrophobicContact CD2-CD1 4.34Å; Q176-L180 WeakPolarHBondContact O-CG 3.49Å; Q176-L180 PolarHBondContact O-N 3.36Å; A177-L180 PolarHBondContact O-N 3.4Å; L180-D185 WeakPolarHBondContact CA-OD2 3.39Å; L180-D185 VanDerWaalsContact O-CB 3.22Å; L180-D185 WeakPolarHBondContact O-CB 3.35Å
181	Q	61.8	Low	71.5	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.009	24%	0.239	C	C	.	.	H	α-helix	trans	-84	-15.9	173	-66.6	170.3	78.3	0	0	111.9	W78 L135 F138 A177 F178 G179	W78-Q181 HydrophobicContact CE3-CB 4.24Å; W78-Q181 HydrophobicContact CH2-CB 3.79Å; W78-Q181 WeakPolarHBondContact CH2-O 3.41Å; W78-Q181 HydrophobicContact CZ3-CB 3.64Å; W78-Q181 WeakPolarHBondContact CZ3-O 3.48Å; L135-Q181 HydrophobicContact CD2-CG 4.31Å; F138-Q181 HydrophobicContact CD2-CB 4.45Å; F138-Q181 HydrophobicContact CD2-CG 3.72Å; F138-Q181 HydrophobicContact CE2-CB 4.21Å; F138-Q181 HydrophobicContact CE2-CG 3.88Å; F138-Q181 HydrophobicContact CG-CG 4.25Å; F138-Q181 HydrophobicContact CZ-CB 4.42Å; A177-Q181 WeakPolarHBondContact O-CB 3.42Å; A177-Q181 WeakPolarHBondContact O-CG 3.49Å; A177-Q181 PolarHBondContact O-N 2.9Å; A177-Q181 PolarHBondContact O-NE2 3.31Å; F178-Q181 CarbonylContact O-C 3.24Å; F178-Q181 PolarHBondContact O-N 3.27Å; G179-Q181 VanDerWaalsContact C-N 3.28Å; G179-Q181 PolarHBondContact O-N 3.49Å
182	S	61.4	Low	69.7	Low	22 Å²	22	50.5 Å²	50.5	15%	0.154	27%	0.266	C	S	.	.	S	Bend	trans	-62.4	157	-177.1	80.7	0	0	0	0	111.3	F178 G179 N184 D185 F186	F178-S182 WeakPolarHBondContact O-CA 3.45Å; F178-S182 WeakPolarHBondContact O-CB 3.45Å; F178-S182 PolarHBondContact O-N 3Å; G179-S182 WeakPolarHBondContact O-CB 3.36Å; G179-S182 PolarHBondContact O-N 3.25Å; G179-S182 PolarHBondContact O-OG 2.9Å; S182-N184 PolarHBondContact O-N 3.11Å; S182-D185 PolarHBondContact O-N 2.95Å; S182-F186 PolarHBondContact O-N 3.29Å
183	V	56.7	Low	67.7	Low	10 Å²	10	50.9 Å²	50.9	6%	0.061	27%	0.269	C	S	.	.	H	α-helix	trans	-48.2	-39.2	-176.2	164.3	0	0	0	0	112.7	V156 F187 A202 A204	V156-V183 HydrophobicContact CB-CG2 4.4Å; V156-V183 HydrophobicContact CG2-CG2 3.75Å; V183-F187 HydrophobicContact CB-CD2 4.43Å; V183-F187 HydrophobicContact CG1-CD2 3.76Å; V183-F187 HydrophobicContact CG1-CE2 3.97Å; V183-F187 WeakPolarHBondContact O-CB 3.38Å; V183-F187 WeakPolarHBondContact O-CD2 3.32Å; V183-F187 WeakPolarHBondContact O-CG 3.45Å; V183-F187 PolarHBondContact O-N 2.86Å; V183-A202 HydrophobicContact CB-CB 4.44Å; V183-A202 HydrophobicContact CG1-CB 3.39Å; V183-A202 HydrophobicContact CG2-CB 4.16Å; V183-A204 HydrophobicContact CB-CB 4.02Å; V183-A204 HydrophobicContact CG2-CB 3.26Å
184	N	59.7	Low	65.4	Low	117 Å²	117	53 Å²	53	63%	0.626	28%	0.28	S	S	*	.	H	α-helix	trans	-64.8	-47.7	179.8	-85	-7.2	0	0	0	112.4	S182 F187 I188	S182-N184 PolarHBondContact O-N 3.11Å; N184-F187 PolarHBondContact O-N 3.46Å; N184-I188 WeakPolarHBondContact O-CB 3.39Å; N184-I188 WeakPolarHBondContact O-CD1 3.37Å; N184-I188 WeakPolarHBondContact O-CG1 2.93Å; N184-I188 PolarHBondContact O-N 3.04Å
185	D	61.1	Low	63	Low	54 Å²	54	61.4 Å²	61.4	29%	0.289	31%	0.314	S	S	.	.	H	α-helix	trans	-77.8	-38.2	-176	-78	-16.3	0	0	0	112.3	L180 S182 F187 I188 Q189	L180-D185 WeakPolarHBondContact CA-OD2 3.39Å; L180-D185 VanDerWaalsContact O-CB 3.22Å; L180-D185 WeakPolarHBondContact O-CB 3.35Å; S182-D185 PolarHBondContact O-N 2.95Å; D185-F187 VanDerWaalsContact C-N 3.26Å; D185-F187 PolarHBondContact O-N 3.07Å; D185-I188 PolarHBondContact O-N 2.79Å; D185-Q189 VanDerWaalsContact O-CG 3.31Å; D185-Q189 WeakPolarHBondContact O-CG 3.48Å; D185-Q189 PolarHBondContact O-N 3.24Å
186	F	64.3	Low	60.6	Low	1 Å²	1	63 Å²	63	0%	0.004	32%	0.316	C	S	.	.	H	α-helix	trans	-58.1	-40.9	171	-179.7	-109	0	0	0	111.4	I76 F138 I142 V143 A146 V154 S182 Q189 I190	I76-F186 HydrophobicContact CD1-CD1 4.2Å; I76-F186 HydrophobicContact CD1-CE1 3.34Å; I76-F186 HydrophobicContact CD1-CE2 4.07Å; I76-F186 HydrophobicContact CD1-CZ 3.25Å; F138-F186 AromaticContact CD1-CD2 3.65Å; F138-F186 HydrophobicContact CD1-CD2 3.65Å; F138-F186 AromaticContact CD1-CE2 3.8Å; F138-F186 HydrophobicContact CD1-CE2 3.8Å; F138-F186 AromaticContact CE1-CD2 3.75Å; F138-F186 HydrophobicContact CE1-CD2 3.75Å; F138-F186 AromaticContact CE1-CE2 3.88Å; F138-F186 HydrophobicContact CE1-CE2 3.88Å; I142-F186 HydrophobicContact CG2-CE2 3.72Å; I142-F186 HydrophobicContact CG2-CZ 3.8Å; V143-F186 HydrophobicContact CG2-CD2 4.01Å; V143-F186 HydrophobicContact CG2-CE2 3.61Å; A146-F186 HydrophobicContact CB-CZ 4.03Å; V154-F186 HydrophobicContact CG1-CE1 4.42Å; S182-F186 PolarHBondContact O-N 3.29Å; F186-Q189 WeakPolarHBondContact O-CB 3.32Å; F186-Q189 PolarHBondContact O-N 3.14Å; F186-I190 HydrophobicContact CD1-CD1 3.84Å; F186-I190 HydrophobicContact CE1-CD1 3.21Å; F186-I190 HydrophobicContact CE1-CG1 4.28Å; F186-I190 HydrophobicContact CE2-CD1 4.11Å; F186-I190 HydrophobicContact CZ-CD1 3.37Å; F186-I190 HydrophobicContact CZ-CG1 4.23Å; F186-I190 WeakPolarHBondContact O-CG1 3.18Å; F186-I190 PolarHBondContact O-N 3.21Å
187	F	59.6	Low	58.6	Low	16 Å²	16	64.6 Å²	64.6	7%	0.07	33%	0.328	C	S	.	.	H	α-helix	trans	-74.4	-36.5	176.3	-84.7	-102.2	0	0	0	113	V154 V183 N184 D185 Q189 I190 N191 T200 A202	V154-F187 HydrophobicContact CB-CE2 4.08Å; V154-F187 HydrophobicContact CB-CZ 3.75Å; V154-F187 HydrophobicContact CG2-CE2 4.25Å; V154-F187 HydrophobicContact CG2-CZ 3.62Å; V183-F187 HydrophobicContact CB-CD2 4.43Å; V183-F187 HydrophobicContact CG1-CD2 3.76Å; V183-F187 HydrophobicContact CG1-CE2 3.97Å; V183-F187 WeakPolarHBondContact O-CB 3.38Å; V183-F187 WeakPolarHBondContact O-CD2 3.32Å; V183-F187 WeakPolarHBondContact O-CG 3.45Å; V183-F187 PolarHBondContact O-N 2.86Å; N184-F187 PolarHBondContact O-N 3.46Å; D185-F187 VanDerWaalsContact C-N 3.26Å; D185-F187 PolarHBondContact O-N 3.07Å; F187-Q189 PolarHBondContact O-N 3.32Å; F187-I190 PolarHBondContact O-N 2.92Å; F187-N191 WeakPolarHBondContact O-CB 3.5Å; F187-N191 VanDerWaalsContact O-CG 3.28Å; F187-N191 PolarHBondContact O-N 2.78Å; F187-N191 PolarHBondContact O-ND2 3.06Å; F187-N191 VanDerWaalsContact O-ND2 3.16Å; F187-T200 HydrophobicContact CE1-CG2 3.84Å; F187-T200 WeakPolarHBondContact CE1-O 3.22Å; F187-T200 HydrophobicContact CZ-CG2 4.21Å; F187-A202 HydrophobicContact CD2-CB 3.93Å; F187-A202 HydrophobicContact CE1-CB 3.92Å; F187-A202 HydrophobicContact CE2-CB 3.05Å; F187-A202 HydrophobicContact CZ-CB 3.04Å
188	I	58.1	Low	56.9	Low	86 Å²	86	66.2 Å²	66.2	44%	0.441	34%	0.34	S	S	.	.	H	α-helix	trans	-58.1	-43.1	170.7	-74.3	162.8	0	0	0	108.6	N184 D185 L192	N184-I188 WeakPolarHBondContact O-CB 3.39Å; N184-I188 WeakPolarHBondContact O-CD1 3.37Å; N184-I188 WeakPolarHBondContact O-CG1 2.93Å; N184-I188 PolarHBondContact O-N 3.04Å; D185-I188 PolarHBondContact O-N 2.79Å; I188-L192 HydrophobicContact CG2-CD1 3.49Å; I188-L192 VanDerWaalsContact CG2-CD1 3.49Å; I188-L192 HydrophobicContact CG2-CG 4.07Å; I188-L192 WeakPolarHBondContact O-CB 3.45Å; I188-L192 WeakPolarHBondContact O-CD1 2.84Å; I188-L192 WeakPolarHBondContact O-CG 3.23Å; I188-L192 PolarHBondContact O-N 3.47Å
189	Q	57.8	Low	55.7	Low	57 Å²	57	73.1 Å²	73.1	27%	0.266	38%	0.376	S	S	.	.	H	α-helix	trans	-60.1	-56.5	174.4	-69.7	176	33.2	0	0	111.3	D185 F186 F187 N191 L192 Y193	D185-Q189 VanDerWaalsContact O-CG 3.31Å; D185-Q189 WeakPolarHBondContact O-CG 3.48Å; D185-Q189 PolarHBondContact O-N 3.24Å; F186-Q189 WeakPolarHBondContact O-CB 3.32Å; F186-Q189 PolarHBondContact O-N 3.14Å; F187-Q189 PolarHBondContact O-N 3.32Å; Q189-N191 PolarHBondContact O-N 3.09Å; Q189-L192 PolarHBondContact O-N 3.4Å; Q189-Y193 WeakPolarHBondContact O-CD2 3.36Å; Q189-Y193 PolarHBondContact O-N 3.17Å
190	I	55.2	Low	54.9	Low	5 Å²	5	72.6 Å²	72.6	3%	0.026	37%	0.367	C	S	.	.	H	α-helix	trans	-57.3	-48.4	180	-71.1	177.7	0	0	0	112	A146 L147 F186 F187 L192 Y193 L194	A146-I190 HydrophobicContact CB-CD1 3.65Å; L147-I190 HydrophobicContact CD2-CG2 4.02Å; F186-I190 HydrophobicContact CD1-CD1 3.84Å; F186-I190 HydrophobicContact CE1-CD1 3.21Å; F186-I190 HydrophobicContact CE1-CG1 4.28Å; F186-I190 HydrophobicContact CE2-CD1 4.11Å; F186-I190 HydrophobicContact CZ-CD1 3.37Å; F186-I190 HydrophobicContact CZ-CG1 4.23Å; F186-I190 WeakPolarHBondContact O-CG1 3.18Å; F186-I190 PolarHBondContact O-N 3.21Å; F187-I190 PolarHBondContact O-N 2.92Å; I190-L192 PolarHBondContact O-N 2.9Å; I190-Y193 PolarHBondContact O-N 3.01Å; I190-L194 HydrophobicContact CG2-CD1 4.08Å; I190-L194 PolarHBondContact O-N 3.29Å
191	N	52	Low	54.6	Low	78 Å²	78	72.8 Å²	72.8	42%	0.417	36%	0.362	S	S	.	.	H	α-helix	trans	-66.8	-37.4	-177.7	-74.4	-38	0	0	0	112	F187 Q189 Y193 K195	F187-N191 WeakPolarHBondContact O-CB 3.5Å; F187-N191 VanDerWaalsContact O-CG 3.28Å; F187-N191 PolarHBondContact O-N 2.78Å; F187-N191 PolarHBondContact O-ND2 3.06Å; F187-N191 VanDerWaalsContact O-ND2 3.16Å; Q189-N191 PolarHBondContact O-N 3.09Å; N191-Y193 VanDerWaalsContact C-N 3.33Å; N191-K195 PolarHBondContact O-N 3.33Å
192	L	49.7	Very low	54.7	Low	121 Å²	121	72.7 Å²	72.7	63%	0.634	36%	0.362	S	S	*	.	H	α-helix	trans	-66	-36.4	174.7	-75.3	173.3	0	0	0	111.8	I188 Q189 I190	I188-L192 HydrophobicContact CG2-CD1 3.49Å; I188-L192 VanDerWaalsContact CG2-CD1 3.49Å; I188-L192 HydrophobicContact CG2-CG 4.07Å; I188-L192 WeakPolarHBondContact O-CB 3.45Å; I188-L192 WeakPolarHBondContact O-CD1 2.84Å; I188-L192 WeakPolarHBondContact O-CG 3.23Å; I188-L192 PolarHBondContact O-N 3.47Å; Q189-L192 PolarHBondContact O-N 3.4Å; I190-L192 PolarHBondContact O-N 2.9Å
193	Y	49	Very low	54.6	Low	142 Å²	142	71.7 Å²	71.7	56%	0.557	36%	0.355	S	S	*	.	H	α-helix	trans	-69.6	-39.6	177.4	-90.4	-77.2	0	0	0	112.4	V143 L147 Q189 I190 N191	V143-Y193 HydrophobicContact CG1-CD2 4.25Å; L147-Y193 HydrophobicContact CD1-CG 4.22Å; Q189-Y193 WeakPolarHBondContact O-CD2 3.36Å; Q189-Y193 PolarHBondContact O-N 3.17Å; I190-Y193 PolarHBondContact O-N 3.01Å; N191-Y193 VanDerWaalsContact C-N 3.33Å
194	L	42.1	Very low	54.7	Low	45 Å²	45	71.2 Å²	71.2	24%	0.236	35%	0.352	C	S	.	.	H	α-helix	trans	-76.1	-29	-175.3	-72.1	173.6	0	0	0	113.8	L147 I190 I196 S198	L147-L194 HydrophobicContact CD2-CD1 3.82Å; L147-L194 HydrophobicContact CD2-CD2 3.59Å; L147-L194 HydrophobicContact CD2-CG 3.38Å; I190-L194 HydrophobicContact CG2-CD1 4.08Å; I190-L194 PolarHBondContact O-N 3.29Å; L194-I196 WeakPolarHBondContact O-CA 3.39Å; L194-I196 WeakPolarHBondContact O-CB 3.18Å; L194-I196 PolarHBondContact O-N 3.47Å; L194-S198 WeakPolarHBondContact CD1-OG 3.2Å
195	K	42.6	Very low	54.8	Low	193 Å²	193	65.9 Å²	65.9	84%	0.839	32%	0.323	S	S	*	.			trans	45.9	-2.6	-174.5	-81.9	-173.8	178.1	178.2	0	116.5	N191	N191-K195 PolarHBondContact O-N 3.33Å
196	I	37.3	Very low	54.6	Low	125 Å²	125	64.5 Å²	64.5	64%	0.641	31%	0.314	S	S	*	.	S	Bend	trans	-155.8	103.5	-162.7	-59.2	-177.1	0	0	0	107.6	L194 S198	L194-I196 WeakPolarHBondContact O-CA 3.39Å; L194-I196 WeakPolarHBondContact O-CB 3.18Å; L194-I196 PolarHBondContact O-N 3.47Å; I196-S198 PolarHBondContact O-N 3.24Å
197	L	43.4	Very low	54	Low	169 Å²	169	64.7 Å²	64.7	89%	0.885	32%	0.316	S	S	*	.			trans	76.1	0.8	142.7	-70.7	165.1	0	0	0	125
198	S	51.7	Low	53.4	Low	35 Å²	35	67.4 Å²	67.4	25%	0.245	33%	0.334	C	S	.	.			trans	-93.7	112.4	170.7	91.1	0	0	0	0	112.8	L194 I196 T200	L194-S198 WeakPolarHBondContact CD1-OG 3.2Å; I196-S198 PolarHBondContact O-N 3.24Å; S198-T200 PolarHBondContact O-N 3.26Å; S198-T200 PolarHBondContact OG-OG1 3.39Å
199	L	56.5	Low	52.9	Low	152 Å²	152	64.9 Å²	64.9	80%	0.796	32%	0.319	S	S	*	.			trans	-72.1	41.4	169.6	-75.3	169.8	0	0	0	111.4	R201	L199-R201 VanDerWaalsContact O-CG 3.27Å; L199-R201 WeakPolarHBondContact O-CG 3.17Å; L199-R201 PolarHBondContact O-N 3.28Å
200	T	61.3	Low	52.2	Low	18 Å²	18	68.8 Å²	68.8	11%	0.11	34%	0.342	C	S	.	.			trans	-62.6	126.3	-179.9	-55.5	0	0	0	0	108.3	S151 V154 F187 S198	S151-T200 WeakPolarHBondContact O-CG2 3.35Å; S151-T200 PolarHBondContact O-OG1 2.72Å; V154-T200 HydrophobicContact CG2-CG2 3.87Å; F187-T200 HydrophobicContact CE1-CG2 3.84Å; F187-T200 WeakPolarHBondContact CE1-O 3.22Å; F187-T200 HydrophobicContact CZ-CG2 4.21Å; S198-T200 PolarHBondContact O-N 3.26Å; S198-T200 PolarHBondContact OG-OG1 3.39Å
201	R	66.1	Low	51.5	Low	81 Å²	81	75.1 Å²	75.1	31%	0.306	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	162.1	-179	-47	-170.7	-178	174.5	5.1	109.9	V24 I25 D152 L153 V154 L199	V24-R201 HydrophobicContact CG1-CB 3.4Å; V24-R201 VanDerWaalsContact CG1-CB 3.4Å; V24-R201 HydrophobicContact CG1-CG 4.42Å; V24-R201 VanDerWaalsContact O-CD 3.28Å; V24-R201 WeakPolarHBondContact O-CD 3.37Å; V24-R201 PolarHBondContact O-NH1 2.84Å; I25-R201 VanDerWaalsContact C-NH1 3.31Å; I25-R201 PolarHBondContact O-NH1 3.31Å; D152-R201 PolarHBondContact O-N 2.92Å; L153-R201 WeakPolarHBondContact CA-O 3.38Å; V154-R201 PolarHBondContact N-O 2.78Å; L199-R201 VanDerWaalsContact O-CG 3.27Å; L199-R201 WeakPolarHBondContact O-CG 3.17Å; L199-R201 PolarHBondContact O-N 3.28Å
202	A	62.6	Low	51.5	Low	0 Å²	0	75 Å²	75	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	153.9	-178.8	0	0	0	0	0	116.9	V24 A30 G31 C32 V154 V183 F187	V24-A202 WeakPolarHBondContact CG2-O 3.34Å; A30-A202 PolarHBondContact O-N 2.95Å; G31-A202 VanDerWaalsContact CA-O 3.27Å; G31-A202 WeakPolarHBondContact CA-O 3.38Å; C32-A202 PolarHBondContact N-O 3.34Å; V154-A202 HydrophobicContact CB-CB 4.34Å; V154-A202 WeakPolarHBondContact O-CA 3.32Å; V183-A202 HydrophobicContact CB-CB 4.44Å; V183-A202 HydrophobicContact CG1-CB 3.39Å; V183-A202 HydrophobicContact CG2-CB 4.16Å; F187-A202 HydrophobicContact CD2-CB 3.93Å; F187-A202 HydrophobicContact CE1-CB 3.92Å; F187-A202 HydrophobicContact CE2-CB 3.05Å; F187-A202 HydrophobicContact CZ-CB 3.04Å
203	V	60.6	Low	51.6	Low	0 Å²	0	72.5 Å²	72.5	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	110	167.3	177.1	0	0	0	0	108.1	V17 A20 V24 L153 V154 F155 V156	V17-V203 HydrophobicContact CG1-CG1 4.23Å; A20-V203 HydrophobicContact CB-CG1 3.74Å; A20-V203 HydrophobicContact CB-CG2 4.45Å; V24-V203 HydrophobicContact CB-CG2 4.04Å; V24-V203 HydrophobicContact CG1-CG2 4.42Å; V24-V203 HydrophobicContact CG2-CG2 3.8Å; L153-V203 HydrophobicContact CD1-CG2 4.24Å; V154-V203 PolarHBondContact O-N 3.27Å; F155-V203 WeakPolarHBondContact CA-O 3.49Å; F155-V203 HydrophobicContact CD1-CB 3.81Å; F155-V203 HydrophobicContact CD1-CG1 4.04Å; F155-V203 HydrophobicContact CE1-CB 3.8Å; F155-V203 HydrophobicContact CE1-CG1 3.98Å; F155-V203 HydrophobicContact CE1-CG2 4.26Å; V156-V203 PolarHBondContact N-O 3.01Å; V156-V203 VanDerWaalsContact N-O 3.17Å
204	A	57.8	Low	51.8	Low	1 Å²	1	68.7 Å²	68.7	1%	0.008	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	136.4	164.7	0	0	0	0	0	108.6	C32 V33 A34 V183 Y206	C32-A204 PolarHBondContact O-N 2.89Å; V33-A204 WeakPolarHBondContact CA-O 3.5Å; V33-A204 HydrophobicContact CG2-CB 4.08Å; A34-A204 PolarHBondContact N-O 2.86Å; V183-A204 HydrophobicContact CB-CB 4.02Å; V183-A204 HydrophobicContact CG2-CB 3.26Å; A204-Y206 HydrophobicContact CB-CE2 4.28Å
205	Y	62.7	Low	52.3	Low	5 Å²	5	70.1 Å²	70.1	2%	0.02	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	120.5	173.1	163.9	-89	0	0	0	107.9	V17 A34 V36 P38 N56 V57 V156 A158 A207	V17-Y205 HydrophobicContact CB-CD2 4.39Å; V17-Y205 HydrophobicContact CG1-CD2 4.39Å; V17-Y205 HydrophobicContact CG2-CD2 3.19Å; V17-Y205 HydrophobicContact CG2-CE2 3.41Å; V17-Y205 VanDerWaalsContact CG2-CE2 3.41Å; V17-Y205 HydrophobicContact CG2-CG 4.22Å; A34-Y205 HydrophobicContact CB-CD2 4.24Å; V36-Y205 HydrophobicContact CB-CD2 3.92Å; V36-Y205 HydrophobicContact CB-CE2 3.13Å; V36-Y205 HydrophobicContact CG1-CE2 3.87Å; V36-Y205 HydrophobicContact CG2-CD2 3.15Å; V36-Y205 HydrophobicContact CG2-CE2 2.94Å; V36-Y205 HydrophobicContact CG2-CG 4.37Å; P38-Y205 PolarHBondContact O-OH 3.01Å; N56-Y205 HydrophobicContact CB-CE2 3.94Å; N56-Y205 PolarHBondContact ND2-OH 3.28Å; V57-Y205 HydrophobicContact CG2-CD1 4.34Å; V57-Y205 HydrophobicContact CG2-CG 4.44Å; V156-Y205 PolarHBondContact O-N 3.47Å; A158-Y205 WeakPolarHBondContact CB-O 3.43Å; A158-Y205 PolarHBondContact N-O 2.86Å; Y205-A207 HydrophobicContact CE1-CB 3.76Å
206	Y	56.2	Low	52.9	Low	24 Å²	24	62.4 Å²	62.4	9%	0.094	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	113.2	173	-62.1	-79.4	0	0	0	108.8	V33 A34 L35 V36 A158 Y160 A204 V208	V33-Y206 HydrophobicContact CB-CD2 4.49Å; V33-Y206 HydrophobicContact CB-CE2 4.13Å; V33-Y206 HydrophobicContact CG1-CD2 3.39Å; V33-Y206 HydrophobicContact CG1-CE2 3.33Å; V33-Y206 HydrophobicContact CG2-CE2 3.78Å; A34-Y206 PolarHBondContact O-N 3.48Å; L35-Y206 HydrophobicContact CD2-CD2 4.02Å; L35-Y206 HydrophobicContact CD2-CG 4.35Å; V36-Y206 PolarHBondContact N-O 3.01Å; A158-Y206 HydrophobicContact CB-CD1 3.35Å; A158-Y206 HydrophobicContact CB-CE1 3.52Å; A158-Y206 HydrophobicContact CB-CG 4.21Å; Y160-Y206 HydrophobicContact CD2-CD1 4.27Å; Y160-Y206 HydrophobicContact CE1-CD1 4.17Å; Y160-Y206 HydrophobicContact CE1-CE1 4.15Å; Y160-Y206 AromaticContact CE2-CD1 3.29Å; Y160-Y206 HydrophobicContact CE2-CD1 3.29Å; Y160-Y206 AromaticContact CE2-CE1 3.99Å; Y160-Y206 HydrophobicContact CE2-CE1 3.99Å; Y160-Y206 AromaticContact CE2-CG 3.91Å; Y160-Y206 HydrophobicContact CE2-CG 3.91Å; Y160-Y206 AromaticContact CZ-CD1 3.25Å; Y160-Y206 AromaticContact CZ-CE1 3.42Å; Y160-Y206 VanDerWaalsContact CZ-CE1 3.42Å; Y160-Y206 WeakPolarHBondContact OH-CD1 3.4Å; Y160-Y206 WeakPolarHBondContact OH-CE1 3.05Å; A204-Y206 HydrophobicContact CB-CE2 4.28Å; Y206-V208 PolarHBondContact O-N 3.24Å
207	A	52.6	Low	54	Low	6 Å²	6	58.2 Å²	58.2	5%	0.05	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	108.1	157.9	0	0	0	0	0	107.2	P39 Y205 F209	P39-A207 HydrophobicContact CB-CB 3.86Å; Y205-A207 HydrophobicContact CE1-CB 3.76Å; A207-F209 HydrophobicContact CB-CD2 3.83Å; A207-F209 HydrophobicContact CB-CE2 3.3Å; A207-F209 HydrophobicContact CB-CZ 3.92Å; A207-F209 WeakPolarHBondContact O-CD2 3.47Å; A207-F209 PolarHBondContact O-N 2.65Å; A207-F209 VanDerWaalsContact O-N 3.09Å
208	V	47	Very low	54.7	Low	72 Å²	72	50.3 Å²	50.3	44%	0.436	28%	0.28	S	S	.	.			trans	-77.8	94.7	168.7	-176	0	0	0	0	106.7	Y206	Y206-V208 PolarHBondContact O-N 3.24Å
209	F	47.8	Very low	55	Low	33 Å²	33	51.5 Å²	51.5	15%	0.145	28%	0.283	C	S	.	.			trans	-75.8	121.2	167.1	-66.2	-89.7	0	0	0	108.2	P39 F51 D79 A207	P39-F209 HydrophobicContact CB-CE1 3.81Å; P39-F209 HydrophobicContact CB-CE2 4.47Å; P39-F209 HydrophobicContact CB-CZ 3.75Å; P39-F209 HydrophobicContact CG-CD1 4.32Å; P39-F209 HydrophobicContact CG-CE1 3.74Å; P39-F209 HydrophobicContact CG-CZ 4.22Å; F51-F209 HydrophobicContact CD2-CD1 4.46Å; D79-F209 WeakPolarHBondContact OD2-CE2 3.43Å; D79-F209 WeakPolarHBondContact OD2-CZ 3.08Å; A207-F209 HydrophobicContact CB-CD2 3.83Å; A207-F209 HydrophobicContact CB-CE2 3.3Å; A207-F209 HydrophobicContact CB-CZ 3.92Å; A207-F209 WeakPolarHBondContact O-CD2 3.47Å; A207-F209 PolarHBondContact O-N 2.65Å; A207-F209 VanDerWaalsContact O-N 3.09Å
210	N	41.2	Very low	54.8	Low	139 Å²	139	43.1 Å²	43.1	74%	0.743	24%	0.24	S	C	*	.			trans	-103.9	124	156.4	-79	-13.3	0	0	0	106.3
211	S	42.3	Very low	54.3	Low	138 Å²	138	45.4 Å²	45.4	97%	0.965	25%	0.252	S	S	*	.			trans	-52	0	156.1	57.3	0	0	0	0	111.2

Retrieved 211 of 211 residues in 227.6 ms (Link to these results)

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