A0A087XTK7_POEFO Loading...

Programmed cell death protein 6

Has a lower Ca(2+) affinity than isoform 1.

AlphaFold DB (A0A3B3VYH6), UniProt , Accession A0A087XTK7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 185 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	39	Very low	43	Very low	221 Å²	221	104.7 Å²	104.7	100%	1.089	56%	0.556	S	S	*	*				0	115.6	0	-77.2	171.7	170.7	0	0	106.1	Y3	M1-Y3 PolarHBondContact O-N 3.04Å
2	A	33.8	Very low	43.8	Very low	79 Å²	79	109.3 Å²	109.3	65%	0.653	57%	0.572	S	S	*	*			trans	-69.5	116.7	-168.8	0	0	0	0	0	111.5	H4	A2-H4 PolarHBondContact O-N 2.78Å
3	Y	37.1	Very low	44.4	Very low	127 Å²	127	109.8 Å²	109.8	50%	0.498	57%	0.573	S	S	.	*			trans	-78.4	95.8	169.3	-70.9	-83.7	0	0	0	108.5	M1 Q166	M1-Y3 PolarHBondContact O-N 3.04Å; Y3-Q166 HydrophobicContact CD2-CB 4.16Å
4	H	41.1	Very low	45.1	Very low	164 Å²	164	109.3 Å²	109.3	76%	0.759	57%	0.571	S	S	*	*			trans	-60.9	141.3	171.3	-83.2	-65.4	0	0	0	110.8	A2 P6	A2-H4 PolarHBondContact O-N 2.78Å; H4-P6 WeakPolarHBondContact O-CD 3.22Å; H4-P6 VanDerWaalsContact O-N 3.11Å
5	S	40.7	Very low	46	Very low	80 Å²	80	107.7 Å²	107.7	56%	0.559	58%	0.581	S	S	*	*			trans	-52.5	115.8	171.8	-169.1	0	0	0	0	109.4	Y7	S5-Y7 VanDerWaalsContact C-N 3.32Å; S5-Y7 PolarHBondContact O-N 2.71Å
6	P	43.9	Very low	46.8	Very low	42 Å²	42	107.6 Å²	107.6	27%	0.273	59%	0.587	S	S	.	*	S	Bend	trans	-76.1	-18.8	-170.5	-22.7	36	0	0	0	114.5	H4 F116 R160	H4-P6 WeakPolarHBondContact O-CD 3.22Å; H4-P6 VanDerWaalsContact O-N 3.11Å; P6-F116 CarbonylContact C-O 3.59Å; P6-F116 WeakPolarHBondContact CB-O 3.31Å; P6-R160 VanDerWaalsContact CG-NH2 3.33Å
7	Y	41.7	Very low	48.1	Very low	32 Å²	32	104.2 Å²	104.2	13%	0.125	57%	0.572	C	S	.	*			trans	-118.3	95.3	-176.1	-148.6	-107.7	0	0	0	111.5	S5 W89 I92 F116	S5-Y7 VanDerWaalsContact C-N 3.32Å; S5-Y7 PolarHBondContact O-N 2.71Å; Y7-W89 HydrophobicContact CE1-CH2 4.39Å; Y7-W89 HydrophobicContact CE1-CZ2 4.18Å; Y7-W89 AromaticContact CZ-CH2 3.87Å; Y7-W89 WeakPolarHBondContact OH-CH2 3.49Å; Y7-W89 WeakPolarHBondContact OH-CZ2 3.45Å; Y7-I92 WeakPolarHBondContact OH-CD1 3.36Å; Y7-F116 HydrophobicContact CD2-CB 3.88Å; Y7-F116 HydrophobicContact CD2-CD1 4.12Å; Y7-F116 HydrophobicContact CD2-CD2 4.34Å; Y7-F116 AromaticContact CD2-CG 3.85Å; Y7-F116 HydrophobicContact CD2-CG 3.85Å; Y7-F116 HydrophobicContact CE2-CB 4.23Å; Y7-F116 AromaticContact CE2-CD1 3.65Å; Y7-F116 HydrophobicContact CE2-CD1 3.65Å; Y7-F116 AromaticContact CE2-CD2 3.99Å; Y7-F116 HydrophobicContact CE2-CD2 3.99Å; Y7-F116 HydrophobicContact CE2-CE1 4Å; Y7-F116 HydrophobicContact CE2-CE2 4.32Å; Y7-F116 AromaticContact CE2-CG 3.68Å; Y7-F116 HydrophobicContact CE2-CG 3.68Å; Y7-F116 HydrophobicContact CE2-CZ 4.34Å
8	R	51.9	Low	50	Low	227 Å²	227	104.2 Å²	104.2	86%	0.857	57%	0.571	S	S	*	*			trans	-75.8	149.6	151.9	-143.2	172.5	-177.6	-158.4	-0.6	106.1
9	A	50.8	Low	51.9	Low	77 Å²	77	106.6 Å²	106.6	64%	0.636	58%	0.578	S	S	*	*	S	Bend	trans	-43.3	145.2	168.8	0	0	0	0	0	110.1
10	P	48.8	Very low	53.9	Low	9 Å²	9	104.8 Å²	104.8	6%	0.058	57%	0.574	C	S	.	*			trans	-38.8	134.1	-177.6	-28.2	26.2	0	0	0	112.3	H12 D88 I92	P10-H12 PolarHBondContact O-N 3.43Å; P10-D88 HydrophobicContact CB-CB 3.62Å; P10-D88 HydrophobicContact CG-CB 3.73Å; P10-I92 HydrophobicContact CB-CD1 3.84Å; P10-I92 HydrophobicContact CG-CD1 3.78Å
11	P	44.2	Very low	55.7	Low	94 Å²	94	104.4 Å²	104.4	61%	0.61	57%	0.566	S	S	*	*			trans	-53.4	137.2	178.7	18.3	-28.3	0	0	0	110.6	I13	P11-I13 HydrophobicContact CG-CD1 4.48Å; P11-I13 WeakPolarHBondContact O-CG1 3.38Å; P11-I13 PolarHBondContact O-N 3.45Å
12	H	52.8	Low	58.2	Low	160 Å²	160	94.3 Å²	94.3	74%	0.741	52%	0.517	S	S	*	.			trans	-66.2	94	-179.3	-66	-90.4	0	0	0	110.2	P10	P10-H12 PolarHBondContact O-N 3.43Å
13	I	51.7	Low	61.1	Low	116 Å²	116	95.8 Å²	95.8	60%	0.595	51%	0.505	S	S	*	.			trans	-91.4	-18.1	-178.4	-63.2	162.5	0	0	0	111.9	P11	P11-I13 HydrophobicContact CG-CD1 4.48Å; P11-I13 WeakPolarHBondContact O-CG1 3.38Å; P11-I13 PolarHBondContact O-N 3.45Å
14	N	54.7	Low	63.9	Low	102 Å²	102	93.8 Å²	93.8	55%	0.545	50%	0.504	S	S	.	.	S	Bend	trans	-140.2	146.3	-178.7	-69.5	-52.5	0	0	0	113.2
15	A	57.5	Low	66.4	Low	86 Å²	86	87.3 Å²	87.3	71%	0.711	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-57.8	143	167	0	0	0	0	0	109.8
16	P	59.2	Low	69.1	Low	106 Å²	106	83.6 Å²	83.6	69%	0.688	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-57.8	135.7	175.8	23.3	-30.5	0	0	0	109.1
17	P	68.3	Low	71.6	Confident	49 Å²	49	86.6 Å²	86.6	32%	0.318	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-58.5	152.8	176.1	23	-31.5	0	0	0	110.6	F21 L22	P17-F21 HydrophobicContact CB-CD1 3.69Å; P17-F21 HydrophobicContact CB-CE1 4.21Å; P17-F21 HydrophobicContact CG-CD1 4.3Å; P17-L22 HydrophobicContact CB-CG 4.39Å; P17-L22 HydrophobicContact CG-CD1 4.06Å; P17-L22 HydrophobicContact CG-CD2 3.67Å; P17-L22 HydrophobicContact CG-CG 3.8Å
18	D	83	Confident	74.2	Confident	104 Å²	104	93.6 Å²	93.6	56%	0.556	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-53.9	144.8	179.1	178.5	47.3	0	0	0	111.7	S20 F21 L22	D18-S20 PolarHBondContact O-N 2.76Å; D18-S20 WeakPolarHBondContact OD2-CB 3.29Å; D18-S20 PolarHBondContact OD2-N 2.63Å; D18-S20 PolarHBondContact OD2-OG 2.94Å; D18-F21 WeakPolarHBondContact O-CB 3.33Å; D18-F21 PolarHBondContact O-N 3.08Å; D18-L22 PolarHBondContact O-N 3.27Å; D18-L22 VanDerWaalsContact O-N 3.09Å
19	Q	86.9	Confident	76.4	Confident	150 Å²	150	83.4 Å²	83.4	70%	0.701	45%	0.447	S	S	*	.	H	α-helix	trans	-59.5	-35.5	-177.6	-73.5	-171.6	1.2	0	0	111.7	F21 L22 W23	Q19-F21 VanDerWaalsContact C-N 3.32Å; Q19-F21 PolarHBondContact O-N 2.68Å; Q19-L22 PolarHBondContact O-N 3.18Å; Q19-W23 WeakPolarHBondContact O-CB 3.27Å; Q19-W23 PolarHBondContact O-N 3.32Å
20	S	90.6	Very high	78.6	Confident	71 Å²	71	80.2 Å²	80.2	50%	0.497	42%	0.42	S	S	.	.	H	α-helix	trans	-65.2	-38.4	178.4	-35.5	0	0	0	0	111.5	D18 N24	D18-S20 PolarHBondContact O-N 2.76Å; D18-S20 WeakPolarHBondContact OD2-CB 3.29Å; D18-S20 PolarHBondContact OD2-N 2.63Å; D18-S20 PolarHBondContact OD2-OG 2.94Å; S20-N24 PolarHBondContact O-N 3.13Å; S20-N24 VanDerWaalsContact O-N 3.11Å; S20-N24 PolarHBondContact O-ND2 2.85Å
21	F	91.2	Very high	80.9	Confident	97 Å²	97	86.7 Å²	86.7	43%	0.425	45%	0.447	S	S	.	.	H	α-helix	trans	-63.9	-50.1	174.4	172.2	-92.8	0	0	0	110.8	P17 D18 Q19 W23 N24 I25 W83	P17-F21 HydrophobicContact CB-CD1 3.69Å; P17-F21 HydrophobicContact CB-CE1 4.21Å; P17-F21 HydrophobicContact CG-CD1 4.3Å; D18-F21 WeakPolarHBondContact O-CB 3.33Å; D18-F21 PolarHBondContact O-N 3.08Å; Q19-F21 VanDerWaalsContact C-N 3.32Å; Q19-F21 PolarHBondContact O-N 2.68Å; F21-W23 VanDerWaalsContact C-N 3.28Å; F21-W23 PolarHBondContact O-N 3.35Å; F21-N24 WeakPolarHBondContact O-CB 3.31Å; F21-N24 PolarHBondContact O-N 3.36Å; F21-I25 HydrophobicContact CD1-CG1 4.4Å; F21-I25 HydrophobicContact CE1-CG1 3.96Å; F21-I25 HydrophobicContact CE2-CD1 4.38Å; F21-I25 HydrophobicContact CE2-CG1 4.41Å; F21-I25 HydrophobicContact CZ-CD1 4.15Å; F21-I25 HydrophobicContact CZ-CG1 3.96Å; F21-I25 WeakPolarHBondContact O-CG1 3.47Å; F21-I25 PolarHBondContact O-N 3.35Å; F21-I25 VanDerWaalsContact O-N 3.12Å; F21-W83 HydrophobicContact CE1-CZ2 4.07Å; F21-W83 HydrophobicContact CZ-CZ2 4.34Å
22	L	93.3	Very high	83.4	Confident	9 Å²	9	87.4 Å²	87.4	5%	0.047	45%	0.446	C	S	.	.	H	α-helix	trans	-60.7	-39	178.8	-73.2	176.9	0	0	0	112.2	P17 D18 Q19 I25 F26 F76 A80 W83	P17-L22 HydrophobicContact CB-CG 4.39Å; P17-L22 HydrophobicContact CG-CD1 4.06Å; P17-L22 HydrophobicContact CG-CD2 3.67Å; P17-L22 HydrophobicContact CG-CG 3.8Å; D18-L22 PolarHBondContact O-N 3.27Å; D18-L22 VanDerWaalsContact O-N 3.09Å; Q19-L22 PolarHBondContact O-N 3.18Å; L22-I25 PolarHBondContact O-N 3.46Å; L22-F26 WeakPolarHBondContact O-CB 3.49Å; L22-F26 PolarHBondContact O-N 3.26Å; L22-F76 HydrophobicContact CB-CE2 4.02Å; L22-F76 HydrophobicContact CB-CZ 4.26Å; L22-A80 HydrophobicContact CD1-CB 3.83Å; L22-W83 HydrophobicContact CD2-CB 4.01Å; L22-W83 VanDerWaalsContact CD2-CD1 3.48Å; L22-W83 HydrophobicContact CD2-CD2 4.24Å; L22-W83 HydrophobicContact CD2-CG 3.61Å
23	W	93.8	Very high	85.4	Confident	109 Å²	109	90.3 Å²	90.3	41%	0.413	45%	0.45	S	S	.	.	H	α-helix	trans	-61.9	-44.3	176.9	-177.5	-106	0	0	0	111.6	Q19 F21 I25 F26 Q27 F76	Q19-W23 WeakPolarHBondContact O-CB 3.27Å; Q19-W23 PolarHBondContact O-N 3.32Å; F21-W23 VanDerWaalsContact C-N 3.28Å; F21-W23 PolarHBondContact O-N 3.35Å; W23-I25 VanDerWaalsContact C-N 3.29Å; W23-I25 PolarHBondContact O-N 3.01Å; W23-F26 HydrophobicContact CE3-CD1 4.39Å; W23-F26 HydrophobicContact CZ3-CD1 4.08Å; W23-F26 HydrophobicContact CZ3-CE1 4.45Å; W23-F26 WeakPolarHBondContact O-CB 3.18Å; W23-F26 PolarHBondContact O-N 2.98Å; W23-Q27 HydrophobicContact CD2-CG 4.39Å; W23-Q27 HydrophobicContact CZ2-CG 4.13Å; W23-Q27 WeakPolarHBondContact O-CG 3.16Å; W23-Q27 PolarHBondContact O-N 2.85Å; W23-F76 VanDerWaalsContact CA-CE2 3.47Å; W23-F76 HydrophobicContact CB-CE2 3.98Å; W23-F76 HydrophobicContact CB-CZ 3.9Å; W23-F76 HydrophobicContact CE3-CB 4.21Å; W23-F76 AromaticContact CE3-CD1 3.73Å; W23-F76 HydrophobicContact CE3-CD1 3.73Å; W23-F76 AromaticContact CE3-CD2 3.5Å; W23-F76 HydrophobicContact CE3-CD2 3.5Å; W23-F76 VanDerWaalsContact CE3-CD2 3.5Å; W23-F76 AromaticContact CE3-CE1 3.89Å; W23-F76 HydrophobicContact CE3-CE1 3.89Å; W23-F76 AromaticContact CE3-CE2 3.69Å; W23-F76 HydrophobicContact CE3-CE2 3.69Å; W23-F76 AromaticContact CE3-CG 3.52Å; W23-F76 HydrophobicContact CE3-CG 3.52Å; W23-F76 AromaticContact CE3-CZ 3.87Å; W23-F76 HydrophobicContact CE3-CZ 3.87Å; W23-F76 HydrophobicContact CZ3-CB 3.81Å; W23-F76 AromaticContact CZ3-CD1 3.97Å; W23-F76 HydrophobicContact CZ3-CD1 3.97Å; W23-F76 AromaticContact CZ3-CD2 3.97Å; W23-F76 HydrophobicContact CZ3-CD2 3.97Å; W23-F76 AromaticContact CZ3-CG 3.63Å; W23-F76 HydrophobicContact CZ3-CG 3.63Å
24	N	95.2	Very high	87.6	Confident	86 Å²	86	88.1 Å²	88.1	46%	0.46	45%	0.445	S	S	.	.	H	α-helix	trans	-61.5	-36.9	175.8	-74.9	-46	0	0	0	112.7	S20 F21 R28	S20-N24 PolarHBondContact O-N 3.13Å; S20-N24 VanDerWaalsContact O-N 3.11Å; S20-N24 PolarHBondContact O-ND2 2.85Å; F21-N24 WeakPolarHBondContact O-CB 3.31Å; F21-N24 PolarHBondContact O-N 3.36Å; N24-R28 WeakPolarHBondContact O-CG 3.18Å; N24-R28 PolarHBondContact O-N 2.83Å
25	I	94.9	Very high	89.5	Confident	27 Å²	27	84.8 Å²	84.8	14%	0.138	44%	0.435	C	S	.	.	H	α-helix	trans	-69.4	-47.6	174.8	-59.7	-55.6	0	0	0	110.3	F21 L22 W23 Q27 R28 V29 F79 W83	F21-I25 HydrophobicContact CD1-CG1 4.4Å; F21-I25 HydrophobicContact CE1-CG1 3.96Å; F21-I25 HydrophobicContact CE2-CD1 4.38Å; F21-I25 HydrophobicContact CE2-CG1 4.41Å; F21-I25 HydrophobicContact CZ-CD1 4.15Å; F21-I25 HydrophobicContact CZ-CG1 3.96Å; F21-I25 WeakPolarHBondContact O-CG1 3.47Å; F21-I25 PolarHBondContact O-N 3.35Å; F21-I25 VanDerWaalsContact O-N 3.12Å; L22-I25 PolarHBondContact O-N 3.46Å; W23-I25 VanDerWaalsContact C-N 3.29Å; W23-I25 PolarHBondContact O-N 3.01Å; I25-Q27 VanDerWaalsContact C-N 3.31Å; I25-Q27 PolarHBondContact O-N 3.02Å; I25-R28 WeakPolarHBondContact O-CB 3.44Å; I25-R28 PolarHBondContact O-N 3.46Å; I25-V29 HydrophobicContact CG2-CG2 4.25Å; I25-V29 WeakPolarHBondContact O-CG2 3.45Å; I25-V29 PolarHBondContact O-N 2.84Å; I25-V29 VanDerWaalsContact O-N 3.1Å; I25-F79 HydrophobicContact CB-CE1 4.34Å; I25-F79 HydrophobicContact CG2-CE1 4.06Å; I25-F79 HydrophobicContact CG2-CZ 3.85Å; I25-W83 HydrophobicContact CG1-CH2 4.5Å; I25-W83 HydrophobicContact CG2-CE3 3.98Å; I25-W83 HydrophobicContact CG2-CH2 4.19Å; I25-W83 HydrophobicContact CG2-CZ3 3.63Å
26	F	96.5	Very high	91.3	Very high	2 Å²	2	82.8 Å²	82.8	1%	0.009	41%	0.414	C	S	.	.	H	α-helix	trans	-51.7	-50.9	178.3	-179	-89.4	0	0	0	111.2	L22 W23 R28 V29 D30 G35 I37 F76 F79	L22-F26 WeakPolarHBondContact O-CB 3.49Å; L22-F26 PolarHBondContact O-N 3.26Å; W23-F26 HydrophobicContact CE3-CD1 4.39Å; W23-F26 HydrophobicContact CZ3-CD1 4.08Å; W23-F26 HydrophobicContact CZ3-CE1 4.45Å; W23-F26 WeakPolarHBondContact O-CB 3.18Å; W23-F26 PolarHBondContact O-N 2.98Å; F26-R28 PolarHBondContact O-N 2.8Å; F26-R28 VanDerWaalsContact O-N 3.16Å; F26-V29 PolarHBondContact O-N 3.17Å; F26-D30 HydrophobicContact CD1-CB 4.4Å; F26-D30 HydrophobicContact CE1-CB 4.03Å; F26-D30 HydrophobicContact CZ-CB 4.37Å; F26-D30 WeakPolarHBondContact O-CB 3.42Å; F26-D30 PolarHBondContact O-N 3.43Å; F26-G35 WeakPolarHBondContact CZ-O 3.39Å; F26-I37 HydrophobicContact CD2-CD1 3.33Å; F26-I37 HydrophobicContact CD2-CG1 4.03Å; F26-I37 HydrophobicContact CE2-CD1 3.44Å; F26-I37 VanDerWaalsContact CE2-CD1 3.44Å; F26-I37 HydrophobicContact CE2-CG1 3.64Å; F26-I37 HydrophobicContact CG-CD1 4.17Å; F26-I37 HydrophobicContact CZ-CD1 4.33Å; F26-I37 HydrophobicContact CZ-CG1 4.12Å; F26-F76 HydrophobicContact CB-CD2 3.79Å; F26-F76 HydrophobicContact CB-CE2 4.19Å; F26-F76 HydrophobicContact CD1-CD2 4.37Å; F26-F76 HydrophobicContact CD2-CB 4.23Å; F26-F76 AromaticContact CD2-CD2 3.97Å; F26-F76 HydrophobicContact CD2-CD2 3.97Å; F26-F76 HydrophobicContact CE2-CB 4.19Å; F26-F76 HydrophobicContact CG-CB 4.41Å; F26-F76 AromaticContact CG-CD2 3.77Å; F26-F76 HydrophobicContact CG-CD2 3.77Å; F26-F76 HydrophobicContact CZ-CB 4.35Å; F26-F79 HydrophobicContact CB-CD1 3.98Å; F26-F79 HydrophobicContact CB-CE1 4.13Å; F26-F79 HydrophobicContact CD2-CB 3.72Å; F26-F79 AromaticContact CD2-CD1 3.87Å; F26-F79 HydrophobicContact CD2-CD1 3.87Å; F26-F79 HydrophobicContact CD2-CD2 4.27Å; F26-F79 AromaticContact CD2-CG 3.68Å; F26-F79 HydrophobicContact CD2-CG 3.68Å; F26-F79 HydrophobicContact CE2-CB 4.13Å; F26-F79 HydrophobicContact CE2-CG 4.44Å; F26-F79 HydrophobicContact CG-CD1 4.44Å
27	Q	97.2	Very high	93.1	Very high	106 Å²	106	77.8 Å²	77.8	50%	0.495	38%	0.381	S	S	.	.	H	α-helix	trans	-62.8	-22.2	178.5	-69	-172	-54.4	0	0	114.6	W23 I25	W23-Q27 HydrophobicContact CD2-CG 4.39Å; W23-Q27 HydrophobicContact CZ2-CG 4.13Å; W23-Q27 WeakPolarHBondContact O-CG 3.16Å; W23-Q27 PolarHBondContact O-N 2.85Å; I25-Q27 VanDerWaalsContact C-N 3.31Å; I25-Q27 PolarHBondContact O-N 3.02Å
28	R	96.2	Very high	94.5	Very high	178 Å²	178	77.3 Å²	77.3	67%	0.672	38%	0.379	S	S	*	.	H	α-helix	trans	-83	-29.7	175.4	-73.1	172.8	178.2	-174.4	0.5	112.3	N24 I25 F26 K31	N24-R28 WeakPolarHBondContact O-CG 3.18Å; N24-R28 PolarHBondContact O-N 2.83Å; I25-R28 WeakPolarHBondContact O-CB 3.44Å; I25-R28 PolarHBondContact O-N 3.46Å; F26-R28 PolarHBondContact O-N 2.8Å; F26-R28 VanDerWaalsContact O-N 3.16Å; R28-K31 WeakPolarHBondContact O-CE 3.32Å; R28-K31 PolarHBondContact O-NZ 3.28Å
29	V	96.9	Very high	95.1	Very high	13 Å²	13	74.3 Å²	74.3	8%	0.079	36%	0.363	C	S	.	.	H	α-helix	trans	-81.7	-46.8	179.1	179.8	0	0	0	0	110.3	I25 F26 K31 I37 E41 A45	I25-V29 HydrophobicContact CG2-CG2 4.25Å; I25-V29 WeakPolarHBondContact O-CG2 3.45Å; I25-V29 PolarHBondContact O-N 2.84Å; I25-V29 VanDerWaalsContact O-N 3.1Å; F26-V29 PolarHBondContact O-N 3.17Å; V29-K31 PolarHBondContact O-N 3.43Å; V29-I37 HydrophobicContact CB-CD1 3.82Å; V29-I37 HydrophobicContact CB-CG1 4.31Å; V29-I37 HydrophobicContact CG1-CB 4.47Å; V29-I37 HydrophobicContact CG1-CD1 3.67Å; V29-I37 HydrophobicContact CG1-CG1 3.92Å; V29-I37 HydrophobicContact CG1-CG2 3.7Å; V29-E41 HydrophobicContact CG1-CB 4.32Å; V29-E41 WeakPolarHBondContact O-CB 3.07Å; V29-A45 HydrophobicContact CB-CB 4.3Å; V29-A45 HydrophobicContact CG1-CB 3.8Å; V29-A45 HydrophobicContact CG2-CB 3.71Å
30	D	97.2	Very high	95.6	Very high	11 Å²	11	70 Å²	70	6%	0.059	35%	0.35	C	S	.	.			trans	-67.6	89.6	173.1	-179.8	8.8	0	0	0	109.9	F26 D32 R33 S34 G35 I37	F26-D30 HydrophobicContact CD1-CB 4.4Å; F26-D30 HydrophobicContact CE1-CB 4.03Å; F26-D30 HydrophobicContact CZ-CB 4.37Å; F26-D30 WeakPolarHBondContact O-CB 3.42Å; F26-D30 PolarHBondContact O-N 3.43Å; D30-D32 VanDerWaalsContact OD1-OD1 3.12Å; D30-R33 WeakPolarHBondContact OD1-CA 3.26Å; D30-R33 PolarHBondContact OD1-N 3.01Å; D30-R33 WeakPolarHBondContact OD2-CA 3.39Å; D30-S34 PolarHBondContact OD1-N 2.96Å; D30-S34 VanDerWaalsContact OD1-N 3.13Å; D30-G35 VanDerWaalsContact OD2-CA 3.31Å; D30-G35 WeakPolarHBondContact OD2-CA 3.44Å; D30-G35 PolarHBondContact OD2-N 3.15Å; D30-I37 HydrophobicContact CB-CG1 4.1Å
31	K	97.1	Very high	96	Very high	145 Å²	145	67.3 Å²	67.3	63%	0.63	33%	0.329	S	S	*	.	S	Bend	trans	-77.8	-39.5	-173	-69.9	-53.5	-171.2	-164.4	0	111.3	R28 V29 R33 E41	R28-K31 WeakPolarHBondContact O-CE 3.32Å; R28-K31 PolarHBondContact O-NZ 3.28Å; V29-K31 PolarHBondContact O-N 3.43Å; K31-R33 VanDerWaalsContact C-N 3.27Å; K31-E41 HydrophobicContact CB-CG 4.44Å; K31-E41 HydrophobicContact CG-CG 4.49Å; K31-E41 PolarHBondContact N-OE1 2.67Å
32	D	96.6	Very high	96.3	Very high	109 Å²	109	62.9 Å²	62.9	58%	0.583	31%	0.31	S	S	*	.	S	Bend	trans	-82.3	-9.5	-179.6	73.4	7.8	0	0	0	113	D30 S34 E41	D30-D32 VanDerWaalsContact OD1-OD1 3.12Å; D32-S34 PolarHBondContact O-N 3.45Å; D32-S34 WeakPolarHBondContact OD1-CB 3.44Å; D32-S34 PolarHBondContact OD1-N 2.88Å; D32-S34 PolarHBondContact OD1-OG 2.9Å; D32-E41 PolarHBondContact N-OE1 2.98Å
33	R	96.4	Very high	96.5	Very high	221 Å²	221	64.8 Å²	64.8	83%	0.834	32%	0.319	S	S	*	.			trans	62.5	31.6	179.7	-51.9	179.3	-177.3	175.3	0.9	112.1	D30 K31 G35	D30-R33 WeakPolarHBondContact OD1-CA 3.26Å; D30-R33 PolarHBondContact OD1-N 3.01Å; D30-R33 WeakPolarHBondContact OD2-CA 3.39Å; K31-R33 VanDerWaalsContact C-N 3.27Å; R33-G35 PolarHBondContact O-N 3.35Å
34	S	96.1	Very high	96.6	Very high	70 Å²	70	66 Å²	66	49%	0.49	33%	0.329	S	S	.	.	S	Bend	trans	-70.7	-16.9	175.9	60.5	0	0	0	0	112.7	D30 D32 V36	D30-S34 PolarHBondContact OD1-N 2.96Å; D30-S34 VanDerWaalsContact OD1-N 3.13Å; D32-S34 PolarHBondContact O-N 3.45Å; D32-S34 WeakPolarHBondContact OD1-CB 3.44Å; D32-S34 PolarHBondContact OD1-N 2.88Å; D32-S34 PolarHBondContact OD1-OG 2.9Å; S34-V36 VanDerWaalsContact C-N 3.27Å; S34-V36 PolarHBondContact OG-N 3.01Å; S34-V36 PolarHBondContact OG-O 2.9Å
35	G	95.1	Very high	96.6	Very high	32 Å²	32	64.5 Å²	64.5	33%	0.33	33%	0.328	S	S	.	.	S	Bend	trans	81.2	7.4	-171.6	0	0	0	0	0	113.3	F26 D30 R33	F26-G35 WeakPolarHBondContact CZ-O 3.39Å; D30-G35 VanDerWaalsContact OD2-CA 3.31Å; D30-G35 WeakPolarHBondContact OD2-CA 3.44Å; D30-G35 PolarHBondContact OD2-N 3.15Å; R33-G35 PolarHBondContact O-N 3.35Å
36	V	95.9	Very high	96.6	Very high	44 Å²	44	64.6 Å²	64.6	27%	0.267	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	121.2	177.2	-179.8	0	0	0	0	108.9	S34 S38 K71	S34-V36 VanDerWaalsContact C-N 3.27Å; S34-V36 PolarHBondContact OG-N 3.01Å; S34-V36 PolarHBondContact OG-O 2.9Å; V36-S38 PolarHBondContact O-N 3.36Å; V36-K71 HydrophobicContact CG1-CD 4.13Å; V36-K71 HydrophobicContact CG1-CG 4.3Å; V36-K71 HydrophobicContact CG2-CD 4.23Å
37	I	97.2	Very high	96.5	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	119.5	175.2	-68.2	167	0	0	0	109.3	F26 V29 D30 E41 L42 G73 V74 F79	F26-I37 HydrophobicContact CD2-CD1 3.33Å; F26-I37 HydrophobicContact CD2-CG1 4.03Å; F26-I37 HydrophobicContact CE2-CD1 3.44Å; F26-I37 VanDerWaalsContact CE2-CD1 3.44Å; F26-I37 HydrophobicContact CE2-CG1 3.64Å; F26-I37 HydrophobicContact CG-CD1 4.17Å; F26-I37 HydrophobicContact CZ-CD1 4.33Å; F26-I37 HydrophobicContact CZ-CG1 4.12Å; V29-I37 HydrophobicContact CB-CD1 3.82Å; V29-I37 HydrophobicContact CB-CG1 4.31Å; V29-I37 HydrophobicContact CG1-CB 4.47Å; V29-I37 HydrophobicContact CG1-CD1 3.67Å; V29-I37 HydrophobicContact CG1-CG1 3.92Å; V29-I37 HydrophobicContact CG1-CG2 3.7Å; D30-I37 HydrophobicContact CB-CG1 4.1Å; I37-E41 HydrophobicContact CG2-CB 4.09Å; I37-L42 HydrophobicContact CG2-CB 3.84Å; I37-G73 CarbonylContact O-C 3.51Å; I37-G73 WeakPolarHBondContact O-CA 3.42Å; I37-V74 HydrophobicContact CB-CG2 3.86Å; I37-V74 HydrophobicContact CG2-CG2 4.32Å; I37-V74 PolarHBondContact N-O 3.44Å; I37-V74 PolarHBondContact O-N 3.41Å; I37-F79 HydrophobicContact CD1-CD2 3.4Å; I37-F79 VanDerWaalsContact CD1-CD2 3.4Å; I37-F79 HydrophobicContact CD1-CE2 3.57Å; I37-F79 HydrophobicContact CD1-CG 4.03Å; I37-F79 HydrophobicContact CD1-CZ 4.32Å
38	S	96.9	Very high	96.2	Very high	39 Å²	39	63.8 Å²	63.8	27%	0.273	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	166.9	174.3	64.2	0	0	0	0	113.3	V36 S40 E41 L42	V36-S38 PolarHBondContact O-N 3.36Å; S38-S40 VanDerWaalsContact C-N 3.25Å; S38-S40 PolarHBondContact O-N 3.17Å; S38-E41 WeakPolarHBondContact CB-OE2 3.31Å; S38-E41 PolarHBondContact N-OE2 2.83Å; S38-E41 PolarHBondContact O-N 3.42Å; S38-E41 WeakPolarHBondContact OG-CG 3.46Å; S38-E41 PolarHBondContact OG-N 3.25Å; S38-E41 PolarHBondContact OG-OE2 2.89Å; S38-L42 PolarHBondContact O-N 3.36Å
39	D	96.6	Very high	95.7	Very high	41 Å²	41	57.9 Å²	57.9	22%	0.219	33%	0.329	C	S	.	.	H	α-helix	trans	-51.3	-44.2	170.2	-68.5	-106.1	0	0	0	112.3	Q43 V59 R60 I63	D39-Q43 VanDerWaalsContact O-CB 3.26Å; D39-Q43 WeakPolarHBondContact O-CB 3.43Å; D39-Q43 PolarHBondContact O-N 3.1Å; D39-V59 HydrophobicContact CB-CG1 4.26Å; D39-V59 WeakPolarHBondContact O-CG1 3.38Å; D39-R60 VanDerWaalsContact OD1-CA 3.3Å; D39-R60 WeakPolarHBondContact OD1-CA 3.34Å; D39-R60 WeakPolarHBondContact OD1-CD 3.17Å; D39-R60 IonicContact OD1-NH1 2.7Å; D39-R60 IonicContact OD2-NH1 4Å; D39-R60 PolarHBondContact OD2-NH1 3.35Å; D39-I63 VanDerWaalsContact CA-CD1 3.42Å; D39-I63 HydrophobicContact CB-CD1 4.11Å
40	S	97.2	Very high	95.2	Very high	61 Å²	61	58 Å²	58	43%	0.427	33%	0.33	S	S	.	.	H	α-helix	trans	-66.7	-43.5	-177.8	-174	0	0	0	0	112.2	S38 Q43 Q44	S38-S40 VanDerWaalsContact C-N 3.25Å; S38-S40 PolarHBondContact O-N 3.17Å; S40-Q43 PolarHBondContact O-N 3.41Å; S40-Q44 WeakPolarHBondContact O-CB 3.44Å; S40-Q44 VanDerWaalsContact O-CG 3.25Å; S40-Q44 WeakPolarHBondContact O-CG 3.23Å; S40-Q44 PolarHBondContact O-N 3.31Å; S40-Q44 PolarHBondContact O-NE2 2.83Å; S40-Q44 PolarHBondContact OG-NE2 2.94Å
41	E	97.8	Very high	94.8	Very high	13 Å²	13	69.8 Å²	69.8	6%	0.061	37%	0.374	C	S	.	.	H	α-helix	trans	-66.3	-43.2	179.2	-73.6	167.9	132.8	0	0	111.8	V29 K31 D32 I37 S38 Q44 A45	V29-E41 HydrophobicContact CG1-CB 4.32Å; V29-E41 WeakPolarHBondContact O-CB 3.07Å; K31-E41 HydrophobicContact CB-CG 4.44Å; K31-E41 HydrophobicContact CG-CG 4.49Å; K31-E41 PolarHBondContact N-OE1 2.67Å; D32-E41 PolarHBondContact N-OE1 2.98Å; I37-E41 HydrophobicContact CG2-CB 4.09Å; S38-E41 WeakPolarHBondContact CB-OE2 3.31Å; S38-E41 PolarHBondContact N-OE2 2.83Å; S38-E41 PolarHBondContact O-N 3.42Å; S38-E41 WeakPolarHBondContact OG-CG 3.46Å; S38-E41 PolarHBondContact OG-N 3.25Å; S38-E41 PolarHBondContact OG-OE2 2.89Å; E41-Q44 PolarHBondContact O-N 2.86Å; E41-A45 WeakPolarHBondContact O-CB 2.75Å; E41-A45 PolarHBondContact O-N 3.18Å
42	L	97.3	Very high	94.6	Very high	4 Å²	4	65.9 Å²	65.9	2%	0.021	36%	0.362	C	S	.	.	H	α-helix	trans	-64.3	-43.1	175.3	-173.9	57.7	0	0	0	111.1	I37 S38 Q44 A45 L46 V59 I62 I63 V82 I86	I37-L42 HydrophobicContact CG2-CB 3.84Å; S38-L42 PolarHBondContact O-N 3.36Å; L42-Q44 VanDerWaalsContact C-N 3.33Å; L42-Q44 PolarHBondContact O-N 3Å; L42-A45 PolarHBondContact O-N 3.36Å; L42-L46 HydrophobicContact CD1-CD1 3.9Å; L42-L46 HydrophobicContact CD1-CD2 4.47Å; L42-L46 HydrophobicContact CD1-CG 4.06Å; L42-L46 HydrophobicContact CG-CD1 3.87Å; L42-L46 HydrophobicContact CG-CG 4.41Å; L42-L46 VanDerWaalsContact O-CG 3.29Å; L42-L46 WeakPolarHBondContact O-CG 3.1Å; L42-L46 PolarHBondContact O-N 2.95Å; L42-V59 HydrophobicContact CB-CG1 4.03Å; L42-V59 HydrophobicContact CD2-CG1 4.09Å; L42-V59 HydrophobicContact CG-CG1 4.17Å; L42-I62 HydrophobicContact CD2-CG2 4.43Å; L42-I63 HydrophobicContact CB-CD1 4.38Å; L42-I63 HydrophobicContact CD2-CD1 4.05Å; L42-I63 HydrophobicContact CD2-CG1 3.75Å; L42-V82 HydrophobicContact CD1-CG1 4.44Å; L42-V82 HydrophobicContact CD2-CG1 4.15Å; L42-I86 HydrophobicContact CD1-CD1 4.41Å
43	Q	97.8	Very high	94.5	Very high	50 Å²	50	65.2 Å²	65.2	23%	0.234	36%	0.364	C	S	.	.	H	α-helix	trans	-59.5	-43.1	177.7	-170.8	-175.9	29.1	0	0	112.1	D39 S40 A45 L46 F54 V59	D39-Q43 VanDerWaalsContact O-CB 3.26Å; D39-Q43 WeakPolarHBondContact O-CB 3.43Å; D39-Q43 PolarHBondContact O-N 3.1Å; S40-Q43 PolarHBondContact O-N 3.41Å; Q43-A45 VanDerWaalsContact C-N 3.31Å; Q43-A45 PolarHBondContact O-N 2.75Å; Q43-L46 PolarHBondContact O-N 3.2Å; Q43-F54 HydrophobicContact CG-CB 4.25Å; Q43-F54 WeakPolarHBondContact CG-O 3.29Å; Q43-F54 PolarHBondContact NE2-O 3.06Å; Q43-V59 HydrophobicContact CB-CG1 4.47Å; Q43-V59 HydrophobicContact CB-CG2 3.95Å; Q43-V59 HydrophobicContact CG-CG2 4.19Å
44	Q	96.4	Very high	94.6	Very high	134 Å²	134	54.7 Å²	54.7	63%	0.626	32%	0.324	S	S	*	.	H	α-helix	trans	-70	-28.6	179.2	-71.4	173.8	46.3	0	0	112.8	S40 E41 L42	S40-Q44 WeakPolarHBondContact O-CB 3.44Å; S40-Q44 VanDerWaalsContact O-CG 3.25Å; S40-Q44 WeakPolarHBondContact O-CG 3.23Å; S40-Q44 PolarHBondContact O-N 3.31Å; S40-Q44 PolarHBondContact O-NE2 2.83Å; S40-Q44 PolarHBondContact OG-NE2 2.94Å; E41-Q44 PolarHBondContact O-N 2.86Å; L42-Q44 VanDerWaalsContact C-N 3.33Å; L42-Q44 PolarHBondContact O-N 3Å
45	A	95.3	Very high	94.6	Very high	54 Å²	54	51.9 Å²	51.9	45%	0.446	30%	0.304	S	S	.	.	H	α-helix	trans	-79.2	-21.8	178.9	0	0	0	0	0	113.7	V29 E41 L42 Q43	V29-A45 HydrophobicContact CB-CB 4.3Å; V29-A45 HydrophobicContact CG1-CB 3.8Å; V29-A45 HydrophobicContact CG2-CB 3.71Å; E41-A45 WeakPolarHBondContact O-CB 2.75Å; E41-A45 PolarHBondContact O-N 3.18Å; L42-A45 PolarHBondContact O-N 3.36Å; Q43-A45 VanDerWaalsContact C-N 3.31Å; Q43-A45 PolarHBondContact O-N 2.75Å
46	L	95.2	Very high	94.7	Very high	30 Å²	30	53.6 Å²	53.6	16%	0.157	31%	0.309	C	S	.	.			trans	-95.6	138.1	-176.2	-64.2	174.6	0	0	0	112.3	L42 Q43 F54 I86	L42-L46 HydrophobicContact CD1-CD1 3.9Å; L42-L46 HydrophobicContact CD1-CD2 4.47Å; L42-L46 HydrophobicContact CD1-CG 4.06Å; L42-L46 HydrophobicContact CG-CD1 3.87Å; L42-L46 HydrophobicContact CG-CG 4.41Å; L42-L46 VanDerWaalsContact O-CG 3.29Å; L42-L46 WeakPolarHBondContact O-CG 3.1Å; L42-L46 PolarHBondContact O-N 2.95Å; Q43-L46 PolarHBondContact O-N 3.2Å; L46-F54 HydrophobicContact CB-CB 4.14Å; L46-F54 HydrophobicContact CB-CD2 3.47Å; L46-F54 VanDerWaalsContact CB-CD2 3.47Å; L46-F54 HydrophobicContact CB-CE2 3.89Å; L46-F54 HydrophobicContact CB-CG 3.82Å; L46-F54 HydrophobicContact CD1-CD1 4.28Å; L46-F54 HydrophobicContact CD1-CD2 4.35Å; L46-F54 HydrophobicContact CD1-CE1 4.13Å; L46-F54 HydrophobicContact CD1-CE2 4.22Å; L46-F54 HydrophobicContact CD1-CG 4.37Å; L46-F54 HydrophobicContact CD1-CZ 4.11Å; L46-I86 HydrophobicContact CD1-CD1 3.81Å; L46-I86 HydrophobicContact CD2-CD1 3.78Å; L46-I86 HydrophobicContact CD2-CG2 4.08Å; L46-I86 HydrophobicContact CG-CD1 4.41Å
47	S	93.8	Very high	94.7	Very high	85 Å²	85	55.3 Å²	55.3	59%	0.594	32%	0.319	S	S	*	.	B	Isolated β-bridge	trans	-108.6	138	170.5	-180	0	0	0	0	110	G49	S47-G49 PolarHBondContact OG-N 3.34Å
48	N	90.4	Very high	94.7	Very high	5 Å²	5	55.3 Å²	55.3	3%	0.027	32%	0.319	C	S	.	.			trans	-98.5	3.3	171.8	62.4	8.1	0	0	0	112.9	T50 T52 F54 D143	N48-T50 VanDerWaalsContact C-N 3.29Å; N48-T50 VanDerWaalsContact CG-OG1 3.24Å; N48-T50 PolarHBondContact ND2-OG1 3.46Å; N48-T50 PolarHBondContact O-N 3.01Å; N48-T50 PolarHBondContact OD1-N 3.39Å; N48-T50 PolarHBondContact OD1-OG1 3.26Å; N48-T52 PolarHBondContact ND2-O 3.47Å; N48-T52 PolarHBondContact ND2-OG1 3.12Å; N48-T52 VanDerWaalsContact ND2-OG1 3.09Å; N48-T52 PolarHBondContact OD1-O 2.84Å; N48-F54 HydrophobicContact CB-CD2 4.08Å; N48-D143 HydrophobicContact CB-CB 4.03Å; N48-D143 VanDerWaalsContact CB-CG 3.41Å; N48-D143 WeakPolarHBondContact CB-OD2 3.45Å; N48-D143 PolarHBondContact ND2-OD2 2.78Å
49	G	87.4	Confident	94.8	Very high	54 Å²	54	53.5 Å²	53.5	56%	0.557	31%	0.307	S	S	*	.	S	Bend	trans	80.2	0.8	-179.1	0	0	0	0	0	115.1	S47	S47-G49 PolarHBondContact OG-N 3.34Å
50	T	86.4	Confident	94.7	Very high	17 Å²	17	57.2 Å²	57.2	10%	0.104	32%	0.318	C	S	.	.	S	Bend	trans	-117	10.8	-171.6	69.2	0	0	0	0	114.5	N48 T52 F103 Q135 A141	N48-T50 VanDerWaalsContact C-N 3.29Å; N48-T50 VanDerWaalsContact CG-OG1 3.24Å; N48-T50 PolarHBondContact ND2-OG1 3.46Å; N48-T50 PolarHBondContact O-N 3.01Å; N48-T50 PolarHBondContact OD1-N 3.39Å; N48-T50 PolarHBondContact OD1-OG1 3.26Å; T50-T52 PolarHBondContact O-N 3.2Å; T50-T52 VanDerWaalsContact O-N 3.1Å; T50-T52 PolarHBondContact OG1-OG1 2.87Å; T50-F103 HydrophobicContact CG2-CE1 3.58Å; T50-F103 HydrophobicContact CG2-CE2 4.23Å; T50-F103 HydrophobicContact CG2-CZ 3.32Å; T50-Q135 VanDerWaalsContact CG2-NE2 3.27Å; T50-Q135 PolarHBondContact OG1-NE2 2.87Å; T50-A141 HydrophobicContact CG2-CB 3.94Å
51	W	87.8	Confident	94.6	Very high	258 Å²	258	54.9 Å²	54.9	98%	0.977	30%	0.301	S	S	*	.	S	Bend	trans	59.2	16.5	-177.2	-54.1	97.1	0	0	0	114.8
52	T	92.3	Very high	94.5	Very high	62 Å²	62	54.2 Å²	54.2	38%	0.38	30%	0.298	S	S	.	.	S	Bend	trans	-109.1	156.5	172.9	58.6	0	0	0	0	109.3	N48 T50 F54	N48-T52 PolarHBondContact ND2-O 3.47Å; N48-T52 PolarHBondContact ND2-OG1 3.12Å; N48-T52 VanDerWaalsContact ND2-OG1 3.09Å; N48-T52 PolarHBondContact OD1-O 2.84Å; T50-T52 PolarHBondContact O-N 3.2Å; T50-T52 VanDerWaalsContact O-N 3.1Å; T50-T52 PolarHBondContact OG1-OG1 2.87Å; T52-F54 PolarHBondContact O-N 2.76Å
53	P	95.2	Very high	94.3	Very high	95 Å²	95	54.1 Å²	54.1	62%	0.617	30%	0.298	S	S	*	.	B	Isolated β-bridge	trans	-56.9	138.9	174.5	-24.4	34.4	0	0	0	111.5
54	F	97.6	Very high	94.1	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.307	C	S	.	.			trans	-55.2	144.8	174.7	-158.4	-82.9	0	0	0	110.3	Q43 L46 N48 T52 P56 T58 V59 F142 D143 I146	Q43-F54 HydrophobicContact CG-CB 4.25Å; Q43-F54 WeakPolarHBondContact CG-O 3.29Å; Q43-F54 PolarHBondContact NE2-O 3.06Å; L46-F54 HydrophobicContact CB-CB 4.14Å; L46-F54 HydrophobicContact CB-CD2 3.47Å; L46-F54 VanDerWaalsContact CB-CD2 3.47Å; L46-F54 HydrophobicContact CB-CE2 3.89Å; L46-F54 HydrophobicContact CB-CG 3.82Å; L46-F54 HydrophobicContact CD1-CD1 4.28Å; L46-F54 HydrophobicContact CD1-CD2 4.35Å; L46-F54 HydrophobicContact CD1-CE1 4.13Å; L46-F54 HydrophobicContact CD1-CE2 4.22Å; L46-F54 HydrophobicContact CD1-CG 4.37Å; L46-F54 HydrophobicContact CD1-CZ 4.11Å; N48-F54 HydrophobicContact CB-CD2 4.08Å; T52-F54 PolarHBondContact O-N 2.76Å; F54-P56 WeakPolarHBondContact O-CD 3.48Å; F54-P56 VanDerWaalsContact O-N 3.1Å; F54-T58 HydrophobicContact CE1-CG2 3.75Å; F54-T58 HydrophobicContact CZ-CG2 4.39Å; F54-V59 HydrophobicContact CD1-CG2 3.64Å; F54-V59 HydrophobicContact CE1-CG2 4.27Å; F54-V59 HydrophobicContact CG-CG2 4.46Å; F54-F142 AromaticContact CE2-CD1 3.83Å; F54-F142 HydrophobicContact CE2-CD1 3.83Å; F54-F142 AromaticContact CE2-CE1 3.89Å; F54-F142 HydrophobicContact CE2-CE1 3.89Å; F54-F142 HydrophobicContact CZ-CD1 4.33Å; F54-F142 HydrophobicContact CZ-CE1 4.19Å; F54-D143 WeakPolarHBondContact CA-OD2 3.49Å; F54-D143 HydrophobicContact CD1-CB 3.62Å; F54-D143 HydrophobicContact CD2-CB 3.74Å; F54-D143 HydrophobicContact CE1-CB 3.42Å; F54-D143 VanDerWaalsContact CE1-CB 3.42Å; F54-D143 HydrophobicContact CE2-CB 3.53Å; F54-D143 HydrophobicContact CG-CB 3.8Å; F54-D143 HydrophobicContact CZ-CB 3.37Å; F54-I146 HydrophobicContact CZ-CD1 4.33Å
55	N	97.6	Very high	93.9	Very high	11 Å²	11	51.7 Å²	51.7	6%	0.059	29%	0.294	C	S	.	.			trans	-56.4	115.7	-177.3	-171.8	-21.9	0	0	0	112	V57 T58 V59 R134 D143 D144	N55-V57 PolarHBondContact O-N 2.92Å; N55-V57 WeakPolarHBondContact OD1-CB 3.5Å; N55-V57 PolarHBondContact OD1-N 3.27Å; N55-T58 VanDerWaalsContact CB-OG1 3.26Å; N55-T58 WeakPolarHBondContact CB-OG1 3.46Å; N55-T58 WeakPolarHBondContact O-CB 3.45Å; N55-T58 PolarHBondContact O-N 2.84Å; N55-T58 VanDerWaalsContact O-N 3.07Å; N55-V59 WeakPolarHBondContact O-CG2 3.41Å; N55-V59 PolarHBondContact O-N 3.35Å; N55-R134 VanDerWaalsContact CA-NH1 3.32Å; N55-R134 PolarHBondContact ND2-NE 3.19Å; N55-D143 HydrophobicContact CB-CB 4.02Å; N55-D143 PolarHBondContact N-OD2 3.16Å; N55-D144 PolarHBondContact ND2-OD1 3.1Å
56	P	97.3	Very high	93.8	Very high	69 Å²	69	51.5 Å²	51.5	45%	0.448	28%	0.283	S	S	.	.	H	α-helix	trans	-63.4	-29.4	-178.2	25.3	-33.7	0	0	0	112.5	F54 V59 R60	F54-P56 WeakPolarHBondContact O-CD 3.48Å; F54-P56 VanDerWaalsContact O-N 3.1Å; P56-V59 PolarHBondContact O-N 2.73Å; P56-R60 WeakPolarHBondContact O-CB 3.38Å; P56-R60 PolarHBondContact O-N 3.47Å
57	V	96.3	Very high	93.6	Very high	79 Å²	79	51 Å²	51	48%	0.479	28%	0.28	S	S	.	.	H	α-helix	trans	-68.4	-38.7	176.1	-174.3	0	0	0	0	110.7	N55 S61	N55-V57 PolarHBondContact O-N 2.92Å; N55-V57 WeakPolarHBondContact OD1-CB 3.5Å; N55-V57 PolarHBondContact OD1-N 3.27Å; V57-S61 WeakPolarHBondContact O-CB 3.27Å; V57-S61 PolarHBondContact O-N 2.81Å; V57-S61 PolarHBondContact O-OG 2.99Å
58	T	97.1	Very high	93	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-66.3	-44.8	174.9	-48.3	0	0	0	0	111	F54 N55 R60 S61 I62 D143 I146 Q147	F54-T58 HydrophobicContact CE1-CG2 3.75Å; F54-T58 HydrophobicContact CZ-CG2 4.39Å; N55-T58 VanDerWaalsContact CB-OG1 3.26Å; N55-T58 WeakPolarHBondContact CB-OG1 3.46Å; N55-T58 WeakPolarHBondContact O-CB 3.45Å; N55-T58 PolarHBondContact O-N 2.84Å; N55-T58 VanDerWaalsContact O-N 3.07Å; T58-R60 PolarHBondContact O-N 3.09Å; T58-S61 WeakPolarHBondContact O-CB 3.42Å; T58-S61 PolarHBondContact O-N 3.44Å; T58-I62 HydrophobicContact CG2-CD1 4.04Å; T58-I62 VanDerWaalsContact O-CG1 3.31Å; T58-I62 WeakPolarHBondContact O-CG1 3.22Å; T58-I62 PolarHBondContact O-N 2.91Å; T58-D143 WeakPolarHBondContact CG2-O 3.48Å; T58-D143 PolarHBondContact OG1-O 3.24Å; T58-I146 HydrophobicContact CG2-CB 3.85Å; T58-I146 HydrophobicContact CG2-CG2 3.62Å; T58-Q147 WeakPolarHBondContact OG1-CB 3.34Å
59	V	97.2	Very high	92.6	Very high	1 Å²	1	64 Å²	64	1%	0.006	32%	0.322	C	S	.	.	H	α-helix	trans	-57.1	-50.6	175.9	174.7	0	0	0	0	110.7	D39 L42 Q43 F54 N55 P56 S61 I62 I63	D39-V59 HydrophobicContact CB-CG1 4.26Å; D39-V59 WeakPolarHBondContact O-CG1 3.38Å; L42-V59 HydrophobicContact CB-CG1 4.03Å; L42-V59 HydrophobicContact CD2-CG1 4.09Å; L42-V59 HydrophobicContact CG-CG1 4.17Å; Q43-V59 HydrophobicContact CB-CG1 4.47Å; Q43-V59 HydrophobicContact CB-CG2 3.95Å; Q43-V59 HydrophobicContact CG-CG2 4.19Å; F54-V59 HydrophobicContact CD1-CG2 3.64Å; F54-V59 HydrophobicContact CE1-CG2 4.27Å; F54-V59 HydrophobicContact CG-CG2 4.46Å; N55-V59 WeakPolarHBondContact O-CG2 3.41Å; N55-V59 PolarHBondContact O-N 3.35Å; P56-V59 PolarHBondContact O-N 2.73Å; V59-S61 VanDerWaalsContact C-N 3.29Å; V59-S61 PolarHBondContact O-N 2.95Å; V59-I62 PolarHBondContact O-N 3.36Å; V59-I63 HydrophobicContact CG1-CD1 4.12Å; V59-I63 PolarHBondContact O-N 3.42Å
60	R	95.6	Very high	92.3	Very high	119 Å²	119	68 Å²	68	45%	0.449	33%	0.331	S	S	.	.	H	α-helix	trans	-59.4	-42.9	178.5	-176.8	61.5	178.6	-178.7	1.7	111.9	D39 P56 T58 I63 S64	D39-R60 VanDerWaalsContact OD1-CA 3.3Å; D39-R60 WeakPolarHBondContact OD1-CA 3.34Å; D39-R60 WeakPolarHBondContact OD1-CD 3.17Å; D39-R60 IonicContact OD1-NH1 2.7Å; D39-R60 IonicContact OD2-NH1 4Å; D39-R60 PolarHBondContact OD2-NH1 3.35Å; P56-R60 WeakPolarHBondContact O-CB 3.38Å; P56-R60 PolarHBondContact O-N 3.47Å; T58-R60 PolarHBondContact O-N 3.09Å; R60-I63 PolarHBondContact O-N 3.08Å; R60-S64 WeakPolarHBondContact O-CB 3.44Å; R60-S64 PolarHBondContact O-N 3Å; R60-S64 PolarHBondContact O-OG 3.4Å
61	S	94.9	Very high	92	Very high	12 Å²	12	70.6 Å²	70.6	8%	0.084	34%	0.34	C	S	.	.	H	α-helix	trans	-60.7	-45.8	177.3	-62.5	0	0	0	0	111	V57 T58 V59 S64 M65 Q147	V57-S61 WeakPolarHBondContact O-CB 3.27Å; V57-S61 PolarHBondContact O-N 2.81Å; V57-S61 PolarHBondContact O-OG 2.99Å; T58-S61 WeakPolarHBondContact O-CB 3.42Å; T58-S61 PolarHBondContact O-N 3.44Å; V59-S61 VanDerWaalsContact C-N 3.29Å; V59-S61 PolarHBondContact O-N 2.95Å; S61-S64 PolarHBondContact O-N 2.81Å; S61-S64 PolarHBondContact O-OG 3.21Å; S61-M65 VanDerWaalsContact O-CG 3.31Å; S61-M65 WeakPolarHBondContact O-CG 3.3Å; S61-M65 PolarHBondContact O-N 3.16Å; S61-Q147 PolarHBondContact OG-OE1 2.91Å
62	I	95.2	Very high	91.8	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-61.8	-51.2	177.1	-67.9	166.9	0	0	0	110.6	L42 T58 V59 S64 M65 F66 V82 Y85 I86	L42-I62 HydrophobicContact CD2-CG2 4.43Å; T58-I62 HydrophobicContact CG2-CD1 4.04Å; T58-I62 VanDerWaalsContact O-CG1 3.31Å; T58-I62 WeakPolarHBondContact O-CG1 3.22Å; T58-I62 PolarHBondContact O-N 2.91Å; V59-I62 PolarHBondContact O-N 3.36Å; I62-S64 VanDerWaalsContact C-N 3.32Å; I62-S64 PolarHBondContact O-N 3.41Å; I62-M65 WeakPolarHBondContact O-CB 3.09Å; I62-M65 PolarHBondContact O-N 3.2Å; I62-M65 VanDerWaalsContact O-N 3.12Å; I62-F66 WeakPolarHBondContact O-CD2 3.23Å; I62-V82 HydrophobicContact CG2-CG1 3.77Å; I62-V82 HydrophobicContact CG2-CG2 4.29Å; I62-Y85 HydrophobicContact CG1-CD1 4.22Å; I62-Y85 HydrophobicContact CG1-CE1 3.98Å; I62-Y85 HydrophobicContact CG2-CD1 4.5Å; I62-I86 HydrophobicContact CD1-CD1 4.38Å; I62-I86 HydrophobicContact CD1-CG1 4.14Å
63	I	94.8	Very high	91.8	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-57.1	-47.4	179	-73.2	178.3	0	0	0	110.7	D39 L42 V59 R60 M65 F66 D67 V74	D39-I63 VanDerWaalsContact CA-CD1 3.42Å; D39-I63 HydrophobicContact CB-CD1 4.11Å; L42-I63 HydrophobicContact CB-CD1 4.38Å; L42-I63 HydrophobicContact CD2-CD1 4.05Å; L42-I63 HydrophobicContact CD2-CG1 3.75Å; V59-I63 HydrophobicContact CG1-CD1 4.12Å; V59-I63 PolarHBondContact O-N 3.42Å; R60-I63 PolarHBondContact O-N 3.08Å; I63-M65 PolarHBondContact O-N 3.47Å; I63-M65 VanDerWaalsContact O-N 3.12Å; I63-F66 PolarHBondContact O-N 3.03Å; I63-D67 HydrophobicContact CG2-CB 4.2Å; I63-D67 WeakPolarHBondContact O-CB 3.44Å; I63-D67 PolarHBondContact O-N 3.28Å; I63-V74 HydrophobicContact CG1-CG1 4.39Å; I63-V74 HydrophobicContact CG2-CG1 4.26Å
64	S	92.8	Very high	91.8	Very high	61 Å²	61	52 Å²	52	43%	0.427	26%	0.259	S	S	.	.	H	α-helix	trans	-61.1	-24	-179	72.3	0	0	0	0	114.3	R60 S61 I62 F66	R60-S64 WeakPolarHBondContact O-CB 3.44Å; R60-S64 PolarHBondContact O-N 3Å; R60-S64 PolarHBondContact O-OG 3.4Å; S61-S64 PolarHBondContact O-N 2.81Å; S61-S64 PolarHBondContact O-OG 3.21Å; I62-S64 VanDerWaalsContact C-N 3.32Å; I62-S64 PolarHBondContact O-N 3.41Å; S64-F66 VanDerWaalsContact C-N 3.34Å
65	M	91.7	Very high	91.7	Very high	72 Å²	72	53.5 Å²	53.5	36%	0.355	27%	0.267	S	S	.	.	H	α-helix	trans	-76	-22.2	176.4	-71.1	174.4	-175	0	0	113.2	S61 I62 I63 I150	S61-M65 VanDerWaalsContact O-CG 3.31Å; S61-M65 WeakPolarHBondContact O-CG 3.3Å; S61-M65 PolarHBondContact O-N 3.16Å; I62-M65 WeakPolarHBondContact O-CB 3.09Å; I62-M65 PolarHBondContact O-N 3.2Å; I62-M65 VanDerWaalsContact O-N 3.12Å; I63-M65 PolarHBondContact O-N 3.47Å; I63-M65 VanDerWaalsContact O-N 3.12Å; M65-I150 HydrophobicContact CE-CB 4.28Å; M65-I150 HydrophobicContact CE-CD1 3.68Å; M65-I150 HydrophobicContact CE-CG1 3.8Å; M65-I150 HydrophobicContact CE-CG2 3.5Å; M65-I150 VanDerWaalsContact CE-CG2 3.5Å
66	F	92.9	Very high	91.6	Very high	51 Å²	51	55 Å²	55	22%	0.224	27%	0.273	C	S	.	.	H	α-helix	trans	-118.1	-21.3	-173.3	-68.4	-84	0	0	0	113.6	I62 I63 S64 R68 V74 E78 V82 Y85	I62-F66 WeakPolarHBondContact O-CD2 3.23Å; I63-F66 PolarHBondContact O-N 3.03Å; S64-F66 VanDerWaalsContact C-N 3.34Å; F66-R68 PolarHBondContact O-N 3.35Å; F66-V74 HydrophobicContact CB-CG1 4.23Å; F66-E78 HydrophobicContact CB-CB 4.45Å; F66-E78 VanDerWaalsContact O-CD 3.27Å; F66-E78 WeakPolarHBondContact O-CG 3.24Å; F66-V82 HydrophobicContact CB-CG2 3.79Å; F66-V82 HydrophobicContact CD2-CG2 3.59Å; F66-V82 HydrophobicContact CE2-CG2 4.33Å; F66-V82 HydrophobicContact CG-CG2 3.71Å; F66-Y85 HydrophobicContact CE2-CD1 4.46Å; F66-Y85 HydrophobicContact CE2-CD2 4.35Å; F66-Y85 HydrophobicContact CE2-CG 4.02Å; F66-Y85 HydrophobicContact CZ-CD2 4.23Å; F66-Y85 HydrophobicContact CZ-CG 4.14Å
67	D	91.5	Very high	91.3	Very high	18 Å²	18	58.3 Å²	58.3	10%	0.096	29%	0.287	C	S	.	.			trans	-73.2	90.1	175.1	-178	12.5	0	0	0	110.9	I63 E69 N70 K71 G72 G73	I63-D67 HydrophobicContact CG2-CB 4.2Å; I63-D67 WeakPolarHBondContact O-CB 3.44Å; I63-D67 PolarHBondContact O-N 3.28Å; D67-E69 VanDerWaalsContact C-N 3.27Å; D67-E69 PolarHBondContact O-N 2.9Å; D67-E69 PolarHBondContact OD1-N 3.24Å; D67-N70 PolarHBondContact OD1-N 3.27Å; D67-N70 WeakPolarHBondContact OD2-CA 3.29Å; D67-K71 WeakPolarHBondContact OD1-CG 3.42Å; D67-K71 PolarHBondContact OD1-N 3.45Å; D67-K71 IonicContact OD1-NZ 3.02Å; D67-K71 PolarHBondContact OD1-NZ 2.86Å; D67-K71 PolarHBondContact OD2-N 2.67Å; D67-G72 PolarHBondContact OD2-N 3.4Å; D67-G73 WeakPolarHBondContact CB-O 3.46Å; D67-G73 PolarHBondContact OD2-N 3.15Å
68	R	81.6	Confident	91.2	Very high	229 Å²	229	55.4 Å²	55.4	86%	0.864	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-19.7	-177.3	-65.5	-179.5	-179.8	176.8	0.7	113.1	F66 E78	F66-R68 PolarHBondContact O-N 3.35Å; R68-E78 PolarHBondContact N-OE1 2.94Å; R68-E78 VanDerWaalsContact N-OE1 3.09Å
69	E	81.3	Confident	91.1	Very high	135 Å²	135	55.6 Å²	55.6	63%	0.631	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-0.3	-173.2	-64.9	173.2	169.1	0	0	112.1	D67 K71	D67-E69 VanDerWaalsContact C-N 3.27Å; D67-E69 PolarHBondContact O-N 2.9Å; D67-E69 PolarHBondContact OD1-N 3.24Å; E69-K71 PolarHBondContact O-N 2.84Å; E69-K71 IonicContact OE2-NZ 3.67Å
70	N	81.8	Confident	90.8	Very high	138 Å²	138	57.4 Å²	57.4	74%	0.738	28%	0.284	S	S	*	.			trans	52.3	36.9	-178.7	-163.5	35.4	0	0	0	112.8	D67 G72	D67-N70 PolarHBondContact OD1-N 3.27Å; D67-N70 WeakPolarHBondContact OD2-CA 3.29Å; N70-G72 VanDerWaalsContact C-N 3.26Å
71	K	79.4	Confident	90.7	Very high	71 Å²	71	52.9 Å²	52.9	31%	0.309	27%	0.274	S	S	.	.	S	Bend	trans	-81.8	-5.6	179.1	67.5	-165.7	161.9	-70.4	0	112.8	V36 D67 E69 G73 E78	V36-K71 HydrophobicContact CG1-CD 4.13Å; V36-K71 HydrophobicContact CG1-CG 4.3Å; V36-K71 HydrophobicContact CG2-CD 4.23Å; D67-K71 WeakPolarHBondContact OD1-CG 3.42Å; D67-K71 PolarHBondContact OD1-N 3.45Å; D67-K71 IonicContact OD1-NZ 3.02Å; D67-K71 PolarHBondContact OD1-NZ 2.86Å; D67-K71 PolarHBondContact OD2-N 2.67Å; E69-K71 PolarHBondContact O-N 2.84Å; E69-K71 IonicContact OE2-NZ 3.67Å; K71-G73 WeakPolarHBondContact CE-O 3.19Å; K71-G73 WeakPolarHBondContact CG-O 3.36Å; K71-G73 PolarHBondContact NZ-O 3.41Å; K71-E78 VanDerWaalsContact CE-OE2 3.32Å; K71-E78 WeakPolarHBondContact CE-OE2 3.48Å; K71-E78 IonicContact NZ-OE1 2.86Å; K71-E78 PolarHBondContact NZ-OE1 2.9Å; K71-E78 IonicContact NZ-OE2 3.02Å; K71-E78 PolarHBondContact NZ-OE2 3.03Å
72	G	84.6	Confident	90.7	Very high	26 Å²	26	52.3 Å²	52.3	27%	0.268	27%	0.27	S	S	.	.	S	Bend	trans	81.3	22.8	-178	0	0	0	0	0	113.3	D67 N70	D67-G72 PolarHBondContact OD2-N 3.4Å; N70-G72 VanDerWaalsContact C-N 3.26Å
73	G	92.1	Very high	90.6	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.2	177	-177.6	0	0	0	0	0	112.4	I37 D67 K71	I37-G73 CarbonylContact O-C 3.51Å; I37-G73 WeakPolarHBondContact O-CA 3.42Å; D67-G73 WeakPolarHBondContact CB-O 3.46Å; D67-G73 PolarHBondContact OD2-N 3.15Å; K71-G73 WeakPolarHBondContact CE-O 3.19Å; K71-G73 WeakPolarHBondContact CG-O 3.36Å; K71-G73 PolarHBondContact NZ-O 3.41Å
74	V	95.7	Very high	90.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	126.1	-176.8	-62.6	0	0	0	0	112	I37 I63 F66 E78 F79 V82	I37-V74 HydrophobicContact CB-CG2 3.86Å; I37-V74 HydrophobicContact CG2-CG2 4.32Å; I37-V74 PolarHBondContact N-O 3.44Å; I37-V74 PolarHBondContact O-N 3.41Å; I63-V74 HydrophobicContact CG1-CG1 4.39Å; I63-V74 HydrophobicContact CG2-CG1 4.26Å; F66-V74 HydrophobicContact CB-CG1 4.23Å; V74-E78 WeakPolarHBondContact CA-OE2 3.35Å; V74-E78 HydrophobicContact CB-CB 4.02Å; V74-E78 HydrophobicContact CG1-CB 4.34Å; V74-F79 HydrophobicContact CG2-CD2 4.41Å; V74-V82 HydrophobicContact CB-CG2 4.48Å; V74-V82 HydrophobicContact CG1-CG2 4.02Å; V74-V82 HydrophobicContact CG2-CG2 4.31Å
75	N	95.1	Very high	90.6	Very high	30 Å²	30	57.1 Å²	57.1	16%	0.16	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	176	171.9	67	38.6	0	0	0	110.6	N77 E78 F79	N75-N77 VanDerWaalsContact C-N 3.29Å; N75-N77 PolarHBondContact O-N 3.34Å; N75-N77 WeakPolarHBondContact OD1-CB 3.34Å; N75-N77 PolarHBondContact OD1-N 3Å; N75-E78 PolarHBondContact N-OE2 3.37Å; N75-E78 PolarHBondContact O-N 3.27Å; N75-E78 VanDerWaalsContact O-N 3.16Å; N75-E78 PolarHBondContact OD1-N 3.21Å; N75-E78 VanDerWaalsContact OD1-N 3.08Å; N75-F79 WeakPolarHBondContact O-CB 3.34Å; N75-F79 PolarHBondContact O-N 3.21Å
76	F	94.1	Very high	90.7	Very high	44 Å²	44	54 Å²	54	19%	0.193	27%	0.265	C	S	.	.	H	α-helix	trans	-59	-37.3	-178.1	179.8	-115.7	0	0	0	114.2	L22 W23 F26 E78 F79	L22-F76 HydrophobicContact CB-CE2 4.02Å; L22-F76 HydrophobicContact CB-CZ 4.26Å; W23-F76 VanDerWaalsContact CA-CE2 3.47Å; W23-F76 HydrophobicContact CB-CE2 3.98Å; W23-F76 HydrophobicContact CB-CZ 3.9Å; W23-F76 HydrophobicContact CE3-CB 4.21Å; W23-F76 AromaticContact CE3-CD1 3.73Å; W23-F76 HydrophobicContact CE3-CD1 3.73Å; W23-F76 AromaticContact CE3-CD2 3.5Å; W23-F76 HydrophobicContact CE3-CD2 3.5Å; W23-F76 VanDerWaalsContact CE3-CD2 3.5Å; W23-F76 AromaticContact CE3-CE1 3.89Å; W23-F76 HydrophobicContact CE3-CE1 3.89Å; W23-F76 AromaticContact CE3-CE2 3.69Å; W23-F76 HydrophobicContact CE3-CE2 3.69Å; W23-F76 AromaticContact CE3-CG 3.52Å; W23-F76 HydrophobicContact CE3-CG 3.52Å; W23-F76 AromaticContact CE3-CZ 3.87Å; W23-F76 HydrophobicContact CE3-CZ 3.87Å; W23-F76 HydrophobicContact CZ3-CB 3.81Å; W23-F76 AromaticContact CZ3-CD1 3.97Å; W23-F76 HydrophobicContact CZ3-CD1 3.97Å; W23-F76 AromaticContact CZ3-CD2 3.97Å; W23-F76 HydrophobicContact CZ3-CD2 3.97Å; W23-F76 AromaticContact CZ3-CG 3.63Å; W23-F76 HydrophobicContact CZ3-CG 3.63Å; F26-F76 HydrophobicContact CB-CD2 3.79Å; F26-F76 HydrophobicContact CB-CE2 4.19Å; F26-F76 HydrophobicContact CD1-CD2 4.37Å; F26-F76 HydrophobicContact CD2-CB 4.23Å; F26-F76 AromaticContact CD2-CD2 3.97Å; F26-F76 HydrophobicContact CD2-CD2 3.97Å; F26-F76 HydrophobicContact CE2-CB 4.19Å; F26-F76 HydrophobicContact CG-CB 4.41Å; F26-F76 AromaticContact CG-CD2 3.77Å; F26-F76 HydrophobicContact CG-CD2 3.77Å; F26-F76 HydrophobicContact CZ-CB 4.35Å; F76-E78 VanDerWaalsContact C-N 3.29Å; F76-E78 PolarHBondContact O-N 3.48Å; F76-F79 PolarHBondContact O-N 2.93Å
77	N	91.9	Very high	90.7	Very high	138 Å²	138	53.2 Å²	53.2	74%	0.738	27%	0.265	S	S	*	.	H	α-helix	trans	-65.2	-35.8	179.8	-66.4	-29.1	0	0	0	111.6	N75	N75-N77 VanDerWaalsContact C-N 3.29Å; N75-N77 PolarHBondContact O-N 3.34Å; N75-N77 WeakPolarHBondContact OD1-CB 3.34Å; N75-N77 PolarHBondContact OD1-N 3Å
78	E	94.1	Very high	90.9	Very high	18 Å²	18	53.1 Å²	53.1	8%	0.084	26%	0.264	C	S	.	.	H	α-helix	trans	-80.3	-33	176.8	-65	163.7	153.5	0	0	111.8	F66 R68 K71 V74 N75 F76 A80 G81 V82	F66-E78 HydrophobicContact CB-CB 4.45Å; F66-E78 VanDerWaalsContact O-CD 3.27Å; F66-E78 WeakPolarHBondContact O-CG 3.24Å; R68-E78 PolarHBondContact N-OE1 2.94Å; R68-E78 VanDerWaalsContact N-OE1 3.09Å; K71-E78 VanDerWaalsContact CE-OE2 3.32Å; K71-E78 WeakPolarHBondContact CE-OE2 3.48Å; K71-E78 IonicContact NZ-OE1 2.86Å; K71-E78 PolarHBondContact NZ-OE1 2.9Å; K71-E78 IonicContact NZ-OE2 3.02Å; K71-E78 PolarHBondContact NZ-OE2 3.03Å; V74-E78 WeakPolarHBondContact CA-OE2 3.35Å; V74-E78 HydrophobicContact CB-CB 4.02Å; V74-E78 HydrophobicContact CG1-CB 4.34Å; N75-E78 PolarHBondContact N-OE2 3.37Å; N75-E78 PolarHBondContact O-N 3.27Å; N75-E78 VanDerWaalsContact O-N 3.16Å; N75-E78 PolarHBondContact OD1-N 3.21Å; N75-E78 VanDerWaalsContact OD1-N 3.08Å; F76-E78 VanDerWaalsContact C-N 3.29Å; F76-E78 PolarHBondContact O-N 3.48Å; E78-A80 VanDerWaalsContact C-N 3.27Å; E78-A80 PolarHBondContact O-N 3.44Å; E78-G81 WeakPolarHBondContact O-CA 3.45Å; E78-G81 PolarHBondContact O-N 3.17Å; E78-V82 PolarHBondContact O-N 3.22Å
79	F	94.3	Very high	91.6	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.018	22%	0.223	C	C	.	.	H	α-helix	trans	-59.8	-34.4	-177.4	-179.5	-106.8	0	0	0	113.1	I25 F26 I37 V74 N75 F76 G81 V82 W83	I25-F79 HydrophobicContact CB-CE1 4.34Å; I25-F79 HydrophobicContact CG2-CE1 4.06Å; I25-F79 HydrophobicContact CG2-CZ 3.85Å; F26-F79 HydrophobicContact CB-CD1 3.98Å; F26-F79 HydrophobicContact CB-CE1 4.13Å; F26-F79 HydrophobicContact CD2-CB 3.72Å; F26-F79 AromaticContact CD2-CD1 3.87Å; F26-F79 HydrophobicContact CD2-CD1 3.87Å; F26-F79 HydrophobicContact CD2-CD2 4.27Å; F26-F79 AromaticContact CD2-CG 3.68Å; F26-F79 HydrophobicContact CD2-CG 3.68Å; F26-F79 HydrophobicContact CE2-CB 4.13Å; F26-F79 HydrophobicContact CE2-CG 4.44Å; F26-F79 HydrophobicContact CG-CD1 4.44Å; I37-F79 HydrophobicContact CD1-CD2 3.4Å; I37-F79 VanDerWaalsContact CD1-CD2 3.4Å; I37-F79 HydrophobicContact CD1-CE2 3.57Å; I37-F79 HydrophobicContact CD1-CG 4.03Å; I37-F79 HydrophobicContact CD1-CZ 4.32Å; V74-F79 HydrophobicContact CG2-CD2 4.41Å; N75-F79 WeakPolarHBondContact O-CB 3.34Å; N75-F79 PolarHBondContact O-N 3.21Å; F76-F79 PolarHBondContact O-N 2.93Å; F79-G81 PolarHBondContact O-N 3.44Å; F79-V82 PolarHBondContact O-N 2.84Å; F79-V82 VanDerWaalsContact O-N 3.16Å; F79-W83 HydrophobicContact CE1-CB 4.35Å; F79-W83 HydrophobicContact CE1-CE3 4.47Å; F79-W83 HydrophobicContact CZ-CB 4.46Å; F79-W83 HydrophobicContact CZ-CE3 4Å; F79-W83 WeakPolarHBondContact O-CB 3.35Å; F79-W83 PolarHBondContact O-N 3.36Å
80	A	92.4	Very high	92.2	Very high	38 Å²	38	38.9 Å²	38.9	31%	0.314	21%	0.207	S	C	.	.	H	α-helix	trans	-57	-38.4	173.9	0	0	0	0	0	112.1	L22 E78 K84	L22-A80 HydrophobicContact CD1-CB 3.83Å; E78-A80 VanDerWaalsContact C-N 3.27Å; E78-A80 PolarHBondContact O-N 3.44Å; A80-K84 WeakPolarHBondContact O-CB 3.21Å; A80-K84 PolarHBondContact O-N 3.33Å; A80-K84 VanDerWaalsContact O-N 3.08Å
81	G	93.4	Very high	92.9	Very high	24 Å²	24	34.3 Å²	34.3	25%	0.247	18%	0.183	C	C	.	.	H	α-helix	trans	-67.7	-45.6	174.7	0	0	0	0	0	112.4	E78 F79 K84 Y85	E78-G81 WeakPolarHBondContact O-CA 3.45Å; E78-G81 PolarHBondContact O-N 3.17Å; F79-G81 PolarHBondContact O-N 3.44Å; G81-K84 PolarHBondContact O-N 2.87Å; G81-Y85 VanDerWaalsContact O-CB 3.32Å; G81-Y85 WeakPolarHBondContact O-CB 3.23Å; G81-Y85 PolarHBondContact O-N 3.48Å
82	V	94.8	Very high	93.6	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59	-49.8	175.6	172.3	0	0	0	0	111.3	L42 I62 F66 V74 E78 F79 K84 Y85 I86	L42-V82 HydrophobicContact CD1-CG1 4.44Å; L42-V82 HydrophobicContact CD2-CG1 4.15Å; I62-V82 HydrophobicContact CG2-CG1 3.77Å; I62-V82 HydrophobicContact CG2-CG2 4.29Å; F66-V82 HydrophobicContact CB-CG2 3.79Å; F66-V82 HydrophobicContact CD2-CG2 3.59Å; F66-V82 HydrophobicContact CE2-CG2 4.33Å; F66-V82 HydrophobicContact CG-CG2 3.71Å; V74-V82 HydrophobicContact CB-CG2 4.48Å; V74-V82 HydrophobicContact CG1-CG2 4.02Å; V74-V82 HydrophobicContact CG2-CG2 4.31Å; E78-V82 PolarHBondContact O-N 3.22Å; F79-V82 PolarHBondContact O-N 2.84Å; F79-V82 VanDerWaalsContact O-N 3.16Å; V82-K84 VanDerWaalsContact C-N 3.34Å; V82-K84 PolarHBondContact O-N 3.4Å; V82-Y85 WeakPolarHBondContact O-CB 3.42Å; V82-Y85 PolarHBondContact O-N 3.06Å; V82-I86 HydrophobicContact CG1-CD1 3.76Å; V82-I86 HydrophobicContact CG1-CG1 4.48Å; V82-I86 WeakPolarHBondContact O-CG1 3.46Å; V82-I86 PolarHBondContact O-N 3.32Å
83	W	93	Very high	94.2	Very high	74 Å²	74	31.3 Å²	31.3	28%	0.28	16%	0.164	S	C	.	.	H	α-helix	trans	-58.6	-47	179.4	179.5	-93.5	0	0	0	111.4	F21 L22 I25 F79 I86 T87	F21-W83 HydrophobicContact CE1-CZ2 4.07Å; F21-W83 HydrophobicContact CZ-CZ2 4.34Å; L22-W83 HydrophobicContact CD2-CB 4.01Å; L22-W83 VanDerWaalsContact CD2-CD1 3.48Å; L22-W83 HydrophobicContact CD2-CD2 4.24Å; L22-W83 HydrophobicContact CD2-CG 3.61Å; I25-W83 HydrophobicContact CG1-CH2 4.5Å; I25-W83 HydrophobicContact CG2-CE3 3.98Å; I25-W83 HydrophobicContact CG2-CH2 4.19Å; I25-W83 HydrophobicContact CG2-CZ3 3.63Å; F79-W83 HydrophobicContact CE1-CB 4.35Å; F79-W83 HydrophobicContact CE1-CE3 4.47Å; F79-W83 HydrophobicContact CZ-CB 4.46Å; F79-W83 HydrophobicContact CZ-CE3 4Å; F79-W83 WeakPolarHBondContact O-CB 3.35Å; F79-W83 PolarHBondContact O-N 3.36Å; W83-I86 PolarHBondContact O-N 3.44Å; W83-T87 WeakPolarHBondContact O-CB 3.44Å; W83-T87 PolarHBondContact O-N 3.47Å; W83-T87 PolarHBondContact O-OG1 2.99Å
84	K	91.9	Very high	94.3	Very high	56 Å²	56	39 Å²	39	24%	0.243	19%	0.193	C	C	.	.	H	α-helix	trans	-60.2	-47.4	176.1	174.6	167.1	171.2	47.7	0	111.3	A80 G81 V82 I86 T87 D88	A80-K84 WeakPolarHBondContact O-CB 3.21Å; A80-K84 PolarHBondContact O-N 3.33Å; A80-K84 VanDerWaalsContact O-N 3.08Å; G81-K84 PolarHBondContact O-N 2.87Å; V82-K84 VanDerWaalsContact C-N 3.34Å; V82-K84 PolarHBondContact O-N 3.4Å; K84-I86 PolarHBondContact O-N 3.2Å; K84-T87 PolarHBondContact O-N 2.91Å; K84-D88 WeakPolarHBondContact CE-OD2 3.43Å; K84-D88 WeakPolarHBondContact CG-OD2 3.47Å; K84-D88 IonicContact NZ-OD1 3.2Å; K84-D88 PolarHBondContact NZ-OD1 2.8Å; K84-D88 IonicContact NZ-OD2 3.25Å; K84-D88 PolarHBondContact NZ-OD2 3.3Å; K84-D88 WeakPolarHBondContact O-CB 3.27Å; K84-D88 PolarHBondContact O-N 2.89Å
85	Y	95.1	Very high	94.3	Very high	33 Å²	33	43.5 Å²	43.5	13%	0.129	22%	0.22	C	C	.	.	H	α-helix	trans	-57.8	-47.5	-179.7	-175.3	-98.1	0	0	0	112	I62 F66 G81 V82 D88 W89 I146	I62-Y85 HydrophobicContact CG1-CD1 4.22Å; I62-Y85 HydrophobicContact CG1-CE1 3.98Å; I62-Y85 HydrophobicContact CG2-CD1 4.5Å; F66-Y85 HydrophobicContact CE2-CD1 4.46Å; F66-Y85 HydrophobicContact CE2-CD2 4.35Å; F66-Y85 HydrophobicContact CE2-CG 4.02Å; F66-Y85 HydrophobicContact CZ-CD2 4.23Å; F66-Y85 HydrophobicContact CZ-CG 4.14Å; G81-Y85 VanDerWaalsContact O-CB 3.32Å; G81-Y85 WeakPolarHBondContact O-CB 3.23Å; G81-Y85 PolarHBondContact O-N 3.48Å; V82-Y85 WeakPolarHBondContact O-CB 3.42Å; V82-Y85 PolarHBondContact O-N 3.06Å; Y85-D88 PolarHBondContact O-N 3.31Å; Y85-W89 AromaticContact CD1-CD1 3.67Å; Y85-W89 AromaticContact CD1-NE1 3.99Å; Y85-W89 AromaticContact CE1-CD1 3.37Å; Y85-W89 AromaticContact CE1-NE1 3.27Å; Y85-W89 VanDerWaalsContact CE1-NE1 3.27Å; Y85-W89 AromaticContact CE2-NE1 3.48Å; Y85-W89 AromaticContact CZ-CD1 3.59Å; Y85-W89 AromaticContact CZ-NE1 2.99Å; Y85-W89 PolarHBondContact O-N 3.08Å; Y85-W89 PolarHBondContact OH-NE1 2.94Å; Y85-I146 HydrophobicContact CE1-CG2 4.49Å
86	I	94.6	Very high	94.4	Very high	7 Å²	7	44.1 Å²	44.1	4%	0.036	22%	0.22	C	C	.	.	H	α-helix	trans	-65.1	-43.5	178.3	-65.6	172	0	0	0	110.9	L42 L46 I62 V82 W83 K84 D88 W89 Q90 F142	L42-I86 HydrophobicContact CD1-CD1 4.41Å; L46-I86 HydrophobicContact CD1-CD1 3.81Å; L46-I86 HydrophobicContact CD2-CD1 3.78Å; L46-I86 HydrophobicContact CD2-CG2 4.08Å; L46-I86 HydrophobicContact CG-CD1 4.41Å; I62-I86 HydrophobicContact CD1-CD1 4.38Å; I62-I86 HydrophobicContact CD1-CG1 4.14Å; V82-I86 HydrophobicContact CG1-CD1 3.76Å; V82-I86 HydrophobicContact CG1-CG1 4.48Å; V82-I86 WeakPolarHBondContact O-CG1 3.46Å; V82-I86 PolarHBondContact O-N 3.32Å; W83-I86 PolarHBondContact O-N 3.44Å; K84-I86 PolarHBondContact O-N 3.2Å; I86-D88 PolarHBondContact O-N 2.83Å; I86-W89 PolarHBondContact O-N 3.36Å; I86-Q90 WeakPolarHBondContact O-CG 3.36Å; I86-Q90 PolarHBondContact O-N 3.1Å; I86-F142 HydrophobicContact CG2-CZ 4.47Å
87	T	93.1	Very high	94.5	Very high	34 Å²	34	42.5 Å²	42.5	21%	0.209	21%	0.214	C	C	.	.	H	α-helix	trans	-61.9	-43.7	178.4	-57.8	0	0	0	0	111.6	W83 K84 W89 Q90 N91	W83-T87 WeakPolarHBondContact O-CB 3.44Å; W83-T87 PolarHBondContact O-N 3.47Å; W83-T87 PolarHBondContact O-OG1 2.99Å; K84-T87 PolarHBondContact O-N 2.91Å; T87-W89 VanDerWaalsContact C-N 3.34Å; T87-W89 PolarHBondContact O-N 2.96Å; T87-Q90 WeakPolarHBondContact O-CB 3.38Å; T87-Q90 PolarHBondContact O-N 3.31Å; T87-N91 PolarHBondContact O-N 2.76Å; T87-N91 VanDerWaalsContact O-N 3.08Å; T87-N91 PolarHBondContact O-ND2 3.06Å
88	D	94.6	Very high	94.5	Very high	16 Å²	16	43.6 Å²	43.6	9%	0.086	21%	0.208	C	C	.	.	H	α-helix	trans	-62.8	-42.2	177.8	-70.1	-19.4	0	0	0	110.8	P10 K84 Y85 I86 N91 I92	P10-D88 HydrophobicContact CB-CB 3.62Å; P10-D88 HydrophobicContact CG-CB 3.73Å; K84-D88 WeakPolarHBondContact CE-OD2 3.43Å; K84-D88 WeakPolarHBondContact CG-OD2 3.47Å; K84-D88 IonicContact NZ-OD1 3.2Å; K84-D88 PolarHBondContact NZ-OD1 2.8Å; K84-D88 IonicContact NZ-OD2 3.25Å; K84-D88 PolarHBondContact NZ-OD2 3.3Å; K84-D88 WeakPolarHBondContact O-CB 3.27Å; K84-D88 PolarHBondContact O-N 2.89Å; Y85-D88 PolarHBondContact O-N 3.31Å; I86-D88 PolarHBondContact O-N 2.83Å; D88-N91 PolarHBondContact O-N 3.48Å; D88-I92 WeakPolarHBondContact O-CG1 3.42Å; D88-I92 PolarHBondContact O-N 3.48Å
89	W	96.4	Very high	94.5	Very high	1 Å²	1	47.3 Å²	47.3	0%	0.004	23%	0.228	C	C	.	.	H	α-helix	trans	-64.3	-37.4	173.7	-84.5	114.9	0	0	0	113.6	Y7 Y85 I86 T87 N91 I92 F93 F116 F142 F145 I146 C149	Y7-W89 HydrophobicContact CE1-CH2 4.39Å; Y7-W89 HydrophobicContact CE1-CZ2 4.18Å; Y7-W89 AromaticContact CZ-CH2 3.87Å; Y7-W89 WeakPolarHBondContact OH-CH2 3.49Å; Y7-W89 WeakPolarHBondContact OH-CZ2 3.45Å; Y85-W89 AromaticContact CD1-CD1 3.67Å; Y85-W89 AromaticContact CD1-NE1 3.99Å; Y85-W89 AromaticContact CE1-CD1 3.37Å; Y85-W89 AromaticContact CE1-NE1 3.27Å; Y85-W89 VanDerWaalsContact CE1-NE1 3.27Å; Y85-W89 AromaticContact CE2-NE1 3.48Å; Y85-W89 AromaticContact CZ-CD1 3.59Å; Y85-W89 AromaticContact CZ-NE1 2.99Å; Y85-W89 PolarHBondContact O-N 3.08Å; Y85-W89 PolarHBondContact OH-NE1 2.94Å; I86-W89 PolarHBondContact O-N 3.36Å; T87-W89 VanDerWaalsContact C-N 3.34Å; T87-W89 PolarHBondContact O-N 2.96Å; W89-N91 VanDerWaalsContact C-N 3.31Å; W89-N91 PolarHBondContact O-N 3.28Å; W89-I92 HydrophobicContact CE3-CB 4.34Å; W89-I92 HydrophobicContact CE3-CD1 4.21Å; W89-I92 HydrophobicContact CE3-CG2 4.08Å; W89-I92 HydrophobicContact CZ3-CD1 4.38Å; W89-I92 HydrophobicContact CZ3-CG2 4.1Å; W89-I92 PolarHBondContact O-N 3.44Å; W89-F93 WeakPolarHBondContact O-CB 3.46Å; W89-F93 PolarHBondContact O-N 2.94Å; W89-F116 HydrophobicContact CH2-CE2 4.37Å; W89-F116 HydrophobicContact CZ3-CE2 4.19Å; W89-F116 HydrophobicContact CZ3-CZ 4.23Å; W89-F142 HydrophobicContact CB-CE2 4.03Å; W89-F142 HydrophobicContact CB-CZ 4.22Å; W89-F145 HydrophobicContact CE3-CD1 4.22Å; W89-F145 AromaticContact CE3-CE1 3.78Å; W89-F145 HydrophobicContact CE3-CE1 3.78Å; W89-F145 HydrophobicContact CZ3-CD1 4.24Å; W89-F145 AromaticContact CZ3-CE1 3.56Å; W89-F145 HydrophobicContact CZ3-CE1 3.56Å; W89-F145 HydrophobicContact CZ3-CZ 4.17Å; W89-I146 HydrophobicContact CB-CD1 3.93Å; W89-I146 HydrophobicContact CB-CG1 3.95Å; W89-I146 HydrophobicContact CD2-CG1 4.01Å; W89-I146 HydrophobicContact CE3-CG1 4.35Å; W89-I146 HydrophobicContact CG-CD1 4.18Å; W89-I146 HydrophobicContact CG-CG1 3.83Å; W89-C149 HydrophobicContact CH2-CB 3.32Å; W89-C149 HydrophobicContact CZ2-CB 3.94Å; W89-C149 HydrophobicContact CZ3-CB 4.01Å
90	Q	94.6	Very high	94.4	Very high	64 Å²	64	53.3 Å²	53.3	30%	0.299	26%	0.26	S	S	.	.	H	α-helix	trans	-61.1	-42	174.3	-74.1	175.3	-21.3	0	0	111.4	I86 T87 F93 R94 F142	I86-Q90 WeakPolarHBondContact O-CG 3.36Å; I86-Q90 PolarHBondContact O-N 3.1Å; T87-Q90 WeakPolarHBondContact O-CB 3.38Å; T87-Q90 PolarHBondContact O-N 3.31Å; Q90-F93 PolarHBondContact O-N 2.72Å; Q90-R94 WeakPolarHBondContact O-CB 3.32Å; Q90-R94 VanDerWaalsContact O-CG 3.29Å; Q90-R94 WeakPolarHBondContact O-CG 3.48Å; Q90-R94 PolarHBondContact O-N 3.25Å; Q90-F142 HydrophobicContact CB-CE2 4.42Å; Q90-F142 HydrophobicContact CB-CZ 4.32Å; Q90-F142 HydrophobicContact CG-CE1 3.91Å; Q90-F142 HydrophobicContact CG-CE2 3.87Å; Q90-F142 HydrophobicContact CG-CZ 3.36Å
91	N	94.9	Very high	94.5	Very high	43 Å²	43	53.7 Å²	53.7	23%	0.23	26%	0.261	C	S	.	.	H	α-helix	trans	-65.6	-42	177.8	-66	-32.9	0	0	0	111.7	T87 D88 W89 T95	T87-N91 PolarHBondContact O-N 2.76Å; T87-N91 VanDerWaalsContact O-N 3.08Å; T87-N91 PolarHBondContact O-ND2 3.06Å; D88-N91 PolarHBondContact O-N 3.48Å; W89-N91 VanDerWaalsContact C-N 3.31Å; W89-N91 PolarHBondContact O-N 3.28Å; N91-T95 PolarHBondContact O-N 3.43Å; N91-T95 VanDerWaalsContact O-N 3.12Å; N91-T95 PolarHBondContact O-OG1 3.04Å
92	I	95.6	Very high	94.5	Very high	21 Å²	21	53.7 Å²	53.7	11%	0.108	26%	0.26	C	S	.	.	H	α-helix	trans	-60.1	-51.5	173.5	-73.7	172.4	0	0	0	110.6	Y7 P10 D88 W89 R94 T95 Y96 F116 F145	Y7-I92 WeakPolarHBondContact OH-CD1 3.36Å; P10-I92 HydrophobicContact CB-CD1 3.84Å; P10-I92 HydrophobicContact CG-CD1 3.78Å; D88-I92 WeakPolarHBondContact O-CG1 3.42Å; D88-I92 PolarHBondContact O-N 3.48Å; W89-I92 HydrophobicContact CE3-CB 4.34Å; W89-I92 HydrophobicContact CE3-CD1 4.21Å; W89-I92 HydrophobicContact CE3-CG2 4.08Å; W89-I92 HydrophobicContact CZ3-CD1 4.38Å; W89-I92 HydrophobicContact CZ3-CG2 4.1Å; W89-I92 PolarHBondContact O-N 3.44Å; I92-R94 VanDerWaalsContact C-N 3.35Å; I92-R94 PolarHBondContact O-N 2.85Å; I92-T95 VanDerWaalsContact O-CB 3.31Å; I92-T95 WeakPolarHBondContact O-CB 3.38Å; I92-T95 PolarHBondContact O-N 2.95Å; I92-Y96 HydrophobicContact CG2-CD2 4.13Å; I92-Y96 HydrophobicContact CG2-CE2 4.19Å; I92-Y96 VanDerWaalsContact O-CD2 3.29Å; I92-Y96 WeakPolarHBondContact O-CD2 3.34Å; I92-Y96 PolarHBondContact O-N 3.25Å; I92-F116 HydrophobicContact CG2-CE1 3.98Å; I92-F116 HydrophobicContact CG2-CZ 3.47Å; I92-F116 VanDerWaalsContact CG2-CZ 3.47Å; I92-F145 HydrophobicContact CG2-CE1 4.03Å; I92-F145 HydrophobicContact CG2-CZ 4.37Å
93	F	95.8	Very high	94.6	Very high	13 Å²	13	54.8 Å²	54.8	6%	0.057	27%	0.265	C	S	.	.	H	α-helix	trans	-56.6	-49.4	-178.2	-174.6	-87.8	0	0	0	111	W89 Q90 T95 Y96 D97 I104 F142 F145	W89-F93 WeakPolarHBondContact O-CB 3.46Å; W89-F93 PolarHBondContact O-N 2.94Å; Q90-F93 PolarHBondContact O-N 2.72Å; F93-T95 PolarHBondContact O-N 3.46Å; F93-Y96 PolarHBondContact O-N 3.33Å; F93-D97 HydrophobicContact CD1-CB 4.15Å; F93-D97 HydrophobicContact CE1-CB 3.92Å; F93-D97 WeakPolarHBondContact O-CB 3.35Å; F93-D97 PolarHBondContact O-N 3.02Å; F93-I104 HydrophobicContact CD2-CD1 4.4Å; F93-I104 HydrophobicContact CD2-CG1 3.71Å; F93-I104 HydrophobicContact CE2-CB 4.3Å; F93-I104 HydrophobicContact CE2-CD1 4.31Å; F93-I104 HydrophobicContact CE2-CG1 3.31Å; F93-I104 HydrophobicContact CZ-CG1 3.8Å; F93-F142 HydrophobicContact CB-CD2 3.75Å; F93-F142 HydrophobicContact CB-CE2 4.11Å; F93-F142 HydrophobicContact CD1-CD2 4.34Å; F93-F142 HydrophobicContact CD2-CB 4.19Å; F93-F142 AromaticContact CD2-CD2 3.81Å; F93-F142 HydrophobicContact CD2-CD2 3.81Å; F93-F142 HydrophobicContact CE1-CB 4.42Å; F93-F142 VanDerWaalsContact CE2-CA 3.42Å; F93-F142 HydrophobicContact CE2-CB 4.03Å; F93-F142 HydrophobicContact CE2-CD2 4.49Å; F93-F142 HydrophobicContact CG-CB 4.43Å; F93-F142 AromaticContact CG-CD2 3.71Å; F93-F142 HydrophobicContact CG-CD2 3.71Å; F93-F142 HydrophobicContact CZ-CB 4.15Å; F93-F145 HydrophobicContact CD2-CB 4.06Å; F93-F145 AromaticContact CD2-CD1 3.77Å; F93-F145 HydrophobicContact CD2-CD1 3.77Å; F93-F145 HydrophobicContact CD2-CE1 4.48Å; F93-F145 HydrophobicContact CD2-CG 4.03Å; F93-F145 HydrophobicContact CE2-CB 4.08Å; F93-F145 HydrophobicContact CE2-CG 4.42Å
94	R	95.3	Very high	94.8	Very high	162 Å²	162	51.3 Å²	51.3	61%	0.611	25%	0.252	S	S	*	.	H	α-helix	trans	-61.4	-25.3	176.4	-71.7	174.7	-176.7	168.5	2.4	114.3	Q90 I92 Y96	Q90-R94 WeakPolarHBondContact O-CB 3.32Å; Q90-R94 VanDerWaalsContact O-CG 3.29Å; Q90-R94 WeakPolarHBondContact O-CG 3.48Å; Q90-R94 PolarHBondContact O-N 3.25Å; I92-R94 VanDerWaalsContact C-N 3.35Å; I92-R94 PolarHBondContact O-N 2.85Å; R94-Y96 VanDerWaalsContact C-N 3.3Å
95	T	96.2	Very high	95.1	Very high	93 Å²	93	50.6 Å²	50.6	57%	0.571	25%	0.251	S	S	*	.	H	α-helix	trans	-72.3	-30	176.6	-58.7	0	0	0	0	111.3	N91 I92 F93	N91-T95 PolarHBondContact O-N 3.43Å; N91-T95 VanDerWaalsContact O-N 3.12Å; N91-T95 PolarHBondContact O-OG1 3.04Å; I92-T95 VanDerWaalsContact O-CB 3.31Å; I92-T95 WeakPolarHBondContact O-CB 3.38Å; I92-T95 PolarHBondContact O-N 2.95Å; F93-T95 PolarHBondContact O-N 3.46Å
96	Y	96.2	Very high	95.2	Very high	43 Å²	43	53 Å²	53	17%	0.169	26%	0.26	C	S	.	.	H	α-helix	trans	-102.6	-26.6	-175.8	-68.5	-69.8	0	0	0	114.1	I92 F93 R94 R98 I104 E108 Q111 A112 F116	I92-Y96 HydrophobicContact CG2-CD2 4.13Å; I92-Y96 HydrophobicContact CG2-CE2 4.19Å; I92-Y96 VanDerWaalsContact O-CD2 3.29Å; I92-Y96 WeakPolarHBondContact O-CD2 3.34Å; I92-Y96 PolarHBondContact O-N 3.25Å; F93-Y96 PolarHBondContact O-N 3.33Å; R94-Y96 VanDerWaalsContact C-N 3.3Å; Y96-R98 VanDerWaalsContact C-N 3.27Å; Y96-R98 PolarHBondContact O-N 3.04Å; Y96-I104 VanDerWaalsContact C-CD1 3.46Å; Y96-E108 WeakPolarHBondContact O-CB 3.44Å; Y96-E108 WeakPolarHBondContact O-CG 3.47Å; Y96-E108 VanDerWaalsContact O-OE1 3.11Å; Y96-Q111 HydrophobicContact CD1-CB 4.22Å; Y96-Q111 HydrophobicContact CE1-CB 4.32Å; Y96-A112 HydrophobicContact CD1-CB 3.88Å; Y96-A112 HydrophobicContact CD2-CB 3.62Å; Y96-A112 VanDerWaalsContact CE1-CA 3.45Å; Y96-A112 HydrophobicContact CE1-CB 4.14Å; Y96-A112 HydrophobicContact CE2-CB 3.88Å; Y96-A112 HydrophobicContact CG-CB 3.62Å; Y96-F116 HydrophobicContact CE2-CE1 4.01Å; Y96-F116 HydrophobicContact CE2-CZ 4.18Å
97	D	95.8	Very high	95.3	Very high	10 Å²	10	57 Å²	57	5%	0.053	28%	0.281	C	S	.	.			trans	-73.3	81.2	168.3	176.4	8.4	0	0	0	108.5	F93 D99 N100 S101 G102 I104	F93-D97 HydrophobicContact CD1-CB 4.15Å; F93-D97 HydrophobicContact CE1-CB 3.92Å; F93-D97 WeakPolarHBondContact O-CB 3.35Å; F93-D97 PolarHBondContact O-N 3.02Å; D97-D99 VanDerWaalsContact OD1-OD1 3.11Å; D97-N100 PolarHBondContact O-N 3.44Å; D97-N100 WeakPolarHBondContact OD1-CA 3.37Å; D97-N100 PolarHBondContact OD1-N 3.45Å; D97-S101 PolarHBondContact OD1-N 3.24Å; D97-S101 PolarHBondContact OD1-OG 2.92Å; D97-G102 VanDerWaalsContact OD2-CA 3.27Å; D97-G102 WeakPolarHBondContact OD2-CA 3.43Å; D97-G102 PolarHBondContact OD2-N 2.97Å; D97-I104 HydrophobicContact CB-CD1 3.92Å; D97-I104 VanDerWaalsContact N-CD1 3.28Å
98	R	92.8	Very high	95.5	Very high	162 Å²	162	55.8 Å²	55.8	61%	0.611	27%	0.273	S	S	*	.	S	Bend	trans	-78.6	-30.1	-168.9	-75	-172.2	175.1	162	9.3	112.4	Y96 N100 E108	Y96-R98 VanDerWaalsContact C-N 3.27Å; Y96-R98 PolarHBondContact O-N 3.04Å; R98-N100 VanDerWaalsContact C-N 3.28Å; R98-E108 PolarHBondContact N-OE1 3.46Å
99	D	93.6	Very high	95.7	Very high	96 Å²	96	55 Å²	55	51%	0.513	27%	0.269	S	S	.	.	S	Bend	trans	-85.9	-2.8	176.8	70	-1.3	0	0	0	112.6	D97 S101	D97-D99 VanDerWaalsContact OD1-OD1 3.11Å; D99-S101 PolarHBondContact O-N 2.87Å; D99-S101 WeakPolarHBondContact OD1-CB 3.42Å; D99-S101 PolarHBondContact OD1-N 3.3Å; D99-S101 PolarHBondContact OD1-OG 2.98Å
100	N	92.9	Very high	95.7	Very high	129 Å²	129	58.7 Å²	58.7	69%	0.69	29%	0.285	S	S	*	.			trans	54.4	35.2	-175.3	-59	-79.9	0	0	0	112	D97 R98 G102	D97-N100 PolarHBondContact O-N 3.44Å; D97-N100 WeakPolarHBondContact OD1-CA 3.37Å; D97-N100 PolarHBondContact OD1-N 3.45Å; R98-N100 VanDerWaalsContact C-N 3.28Å; N100-G102 PolarHBondContact O-N 3.05Å
101	S	93.9	Very high	95.8	Very high	47 Å²	47	58.8 Å²	58.8	33%	0.329	29%	0.286	S	S	.	.			trans	-69.9	-17.5	177.4	61.1	0	0	0	0	112.4	D97 D99 F103	D97-S101 PolarHBondContact OD1-N 3.24Å; D97-S101 PolarHBondContact OD1-OG 2.92Å; D99-S101 PolarHBondContact O-N 2.87Å; D99-S101 WeakPolarHBondContact OD1-CB 3.42Å; D99-S101 PolarHBondContact OD1-N 3.3Å; D99-S101 PolarHBondContact OD1-OG 2.98Å; S101-F103 VanDerWaalsContact C-N 3.27Å; S101-F103 WeakPolarHBondContact O-CD2 3.26Å; S101-F103 PolarHBondContact OG-N 3.35Å; S101-F103 PolarHBondContact OG-O 3.5Å
102	G	93.2	Very high	95.9	Very high	23 Å²	23	56.8 Å²	56.8	24%	0.237	28%	0.275	C	S	.	.	S	Bend	trans	81.5	9.2	-169.5	0	0	0	0	0	112.8	D97 N100	D97-G102 VanDerWaalsContact OD2-CA 3.27Å; D97-G102 WeakPolarHBondContact OD2-CA 3.43Å; D97-G102 PolarHBondContact OD2-N 2.97Å; N100-G102 PolarHBondContact O-N 3.05Å
103	F	96.9	Very high	96	Very high	24 Å²	24	55.8 Å²	55.8	11%	0.105	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	159.4	179	-62.2	-91.4	0	0	0	109.9	T50 S101 K137 Q139 V140 A141	T50-F103 HydrophobicContact CG2-CE1 3.58Å; T50-F103 HydrophobicContact CG2-CE2 4.23Å; T50-F103 HydrophobicContact CG2-CZ 3.32Å; S101-F103 VanDerWaalsContact C-N 3.27Å; S101-F103 WeakPolarHBondContact O-CD2 3.26Å; S101-F103 PolarHBondContact OG-N 3.35Å; S101-F103 PolarHBondContact OG-O 3.5Å; F103-K137 HydrophobicContact CE1-CD 3.9Å; F103-K137 HydrophobicContact CZ-CD 3.95Å; F103-K137 VanDerWaalsContact CZ-NZ 3.31Å; F103-Q139 HydrophobicContact CB-CB 3.75Å; F103-Q139 HydrophobicContact CD1-CB 4.43Å; F103-Q139 HydrophobicContact CG-CB 4.36Å; F103-V140 CarbonylContact C-O 3.5Å; F103-V140 WeakPolarHBondContact CA-O 3.48Å; F103-A141 HydrophobicContact CD1-CB 4.17Å; F103-A141 HydrophobicContact CE1-CB 4.06Å
104	I	97.8	Very high	96	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	117.1	171.5	-69	-73	0	0	0	107.8	F93 Y96 D97 E108 L109 Q139 V140 F145	F93-I104 HydrophobicContact CD2-CD1 4.4Å; F93-I104 HydrophobicContact CD2-CG1 3.71Å; F93-I104 HydrophobicContact CE2-CB 4.3Å; F93-I104 HydrophobicContact CE2-CD1 4.31Å; F93-I104 HydrophobicContact CE2-CG1 3.31Å; F93-I104 HydrophobicContact CZ-CG1 3.8Å; Y96-I104 VanDerWaalsContact C-CD1 3.46Å; D97-I104 HydrophobicContact CB-CD1 3.92Å; D97-I104 VanDerWaalsContact N-CD1 3.28Å; I104-E108 WeakPolarHBondContact CA-OE2 3.41Å; I104-E108 HydrophobicContact CD1-CB 4.1Å; I104-E108 HydrophobicContact CG2-CB 3.86Å; I104-L109 HydrophobicContact CG2-CB 3.76Å; I104-L109 HydrophobicContact CG2-CD1 4.41Å; I104-L109 VanDerWaalsContact CG2-N 3.32Å; I104-Q139 CarbonylContact O-C 3.57Å; I104-Q139 WeakPolarHBondContact O-CA 3.39Å; I104-V140 HydrophobicContact CB-CG2 3.71Å; I104-V140 HydrophobicContact CG2-CG2 4Å; I104-V140 PolarHBondContact N-O 3.25Å; I104-V140 PolarHBondContact O-N 3.29Å; I104-F145 HydrophobicContact CG1-CD2 4.49Å; I104-F145 HydrophobicContact CG2-CD2 4.48Å
105	D	97.4	Very high	95.9	Very high	42 Å²	42	53.6 Å²	53.6	23%	0.225	29%	0.286	C	S	.	.			trans	-77.3	179.7	173.9	85.7	16.7	0	0	0	112.4	N107 E108 L109 Q139	D105-N107 PolarHBondContact O-N 2.92Å; D105-N107 WeakPolarHBondContact OD1-CA 3.39Å; D105-N107 WeakPolarHBondContact OD1-CB 3.34Å; D105-N107 PolarHBondContact OD1-N 3.44Å; D105-E108 PolarHBondContact N-OE2 2.77Å; D105-E108 PolarHBondContact O-N 3.2Å; D105-E108 WeakPolarHBondContact OD1-CG 3.32Å; D105-E108 PolarHBondContact OD1-N 3.09Å; D105-L109 VanDerWaalsContact O-CB 3.26Å; D105-L109 WeakPolarHBondContact O-CB 3.39Å; D105-L109 PolarHBondContact O-N 2.71Å; D105-Q139 HydrophobicContact CB-CG 4.08Å
106	R	97.1	Very high	95.8	Very high	82 Å²	82	50 Å²	50	31%	0.309	26%	0.263	S	S	.	.	H	α-helix	trans	-61.1	-41	179.3	-172.5	179.5	180	-105.3	10.8	114	K110 D122 I129	R106-K110 VanDerWaalsContact O-CB 3.29Å; R106-K110 WeakPolarHBondContact O-CB 3.35Å; R106-K110 PolarHBondContact O-N 2.79Å; R106-D122 IonicContact CZ-OD1 3.62Å; R106-D122 IonicContact CZ-OD2 2.94Å; R106-D122 VanDerWaalsContact CZ-OD2 3.23Å; R106-D122 IonicContact NH1-OD1 2.63Å; R106-D122 IonicContact NH1-OD2 3.3Å; R106-D122 PolarHBondContact NH1-OD2 3.44Å; R106-D122 PolarHBondContact NH2-O 2.75Å; R106-D122 IonicContact NH2-OD1 3.23Å; R106-D122 IonicContact NH2-OD2 3.99Å; R106-D122 PolarHBondContact NH2-OD2 2.9Å; R106-I129 VanDerWaalsContact CA-CD1 3.43Å; R106-I129 HydrophobicContact CB-CD1 3.58Å; R106-I129 HydrophobicContact CG-CD1 4.12Å
107	N	97.2	Very high	95.7	Very high	91 Å²	91	49.8 Å²	49.8	49%	0.487	27%	0.273	S	S	.	.	H	α-helix	trans	-73.4	-36.9	-178.8	-64.9	-43.3	0	0	0	110.9	D105 Q111	D105-N107 PolarHBondContact O-N 2.92Å; D105-N107 WeakPolarHBondContact OD1-CA 3.39Å; D105-N107 WeakPolarHBondContact OD1-CB 3.34Å; D105-N107 PolarHBondContact OD1-N 3.44Å; N107-Q111 WeakPolarHBondContact O-CB 3.35Å; N107-Q111 VanDerWaalsContact O-CG 3.22Å; N107-Q111 WeakPolarHBondContact O-CG 3.46Å; N107-Q111 PolarHBondContact O-N 2.92Å; N107-Q111 PolarHBondContact O-NE2 3.26Å
108	E	98	Very high	95.6	Very high	10 Å²	10	50.2 Å²	50.2	5%	0.047	27%	0.274	C	S	.	.	H	α-helix	trans	-68.9	-43.1	174.8	-66.7	174.5	143.9	0	0	110.9	Y96 R98 I104 D105 K110 Q111 A112	Y96-E108 WeakPolarHBondContact O-CB 3.44Å; Y96-E108 WeakPolarHBondContact O-CG 3.47Å; Y96-E108 VanDerWaalsContact O-OE1 3.11Å; R98-E108 PolarHBondContact N-OE1 3.46Å; I104-E108 WeakPolarHBondContact CA-OE2 3.41Å; I104-E108 HydrophobicContact CD1-CB 4.1Å; I104-E108 HydrophobicContact CG2-CB 3.86Å; D105-E108 PolarHBondContact N-OE2 2.77Å; D105-E108 PolarHBondContact O-N 3.2Å; D105-E108 WeakPolarHBondContact OD1-CG 3.32Å; D105-E108 PolarHBondContact OD1-N 3.09Å; E108-K110 VanDerWaalsContact C-N 3.33Å; E108-K110 PolarHBondContact O-N 2.7Å; E108-Q111 PolarHBondContact O-N 3.29Å; E108-A112 WeakPolarHBondContact O-CB 3.34Å; E108-A112 PolarHBondContact O-N 3.14Å
109	L	97.8	Very high	95.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59.9	-45	173.6	-176.6	62.4	0	0	0	111	I104 D105 Q111 A112 L113 Y125 L128 I129 F145	I104-L109 HydrophobicContact CG2-CB 3.76Å; I104-L109 HydrophobicContact CG2-CD1 4.41Å; I104-L109 VanDerWaalsContact CG2-N 3.32Å; D105-L109 VanDerWaalsContact O-CB 3.26Å; D105-L109 WeakPolarHBondContact O-CB 3.39Å; D105-L109 PolarHBondContact O-N 2.71Å; L109-Q111 VanDerWaalsContact C-N 3.31Å; L109-Q111 PolarHBondContact O-N 3.02Å; L109-A112 PolarHBondContact O-N 3.4Å; L109-L113 HydrophobicContact CD1-CD1 3.88Å; L109-L113 HydrophobicContact CD1-CG 3.95Å; L109-L113 HydrophobicContact CG-CD1 3.99Å; L109-L113 HydrophobicContact CG-CG 4.33Å; L109-L113 WeakPolarHBondContact O-CB 3.46Å; L109-L113 WeakPolarHBondContact O-CG 3.37Å; L109-L113 PolarHBondContact O-N 3.28Å; L109-Y125 HydrophobicContact CG-CD1 4.43Å; L109-L128 HydrophobicContact CD2-CB 4.05Å; L109-I129 HydrophobicContact CD2-CD1 4.41Å; L109-I129 HydrophobicContact CD2-CG1 3.81Å; L109-F145 HydrophobicContact CD1-CD2 4.02Å; L109-F145 HydrophobicContact CD1-CE2 3.88Å
110	K	97.4	Very high	95.8	Very high	78 Å²	78	49.9 Å²	49.9	34%	0.339	27%	0.269	S	S	.	.	H	α-helix	trans	-58	-45.2	175.6	175.6	172.5	-176.3	175.5	0	111.4	R106 E108 T114 D122 Y125	R106-K110 VanDerWaalsContact O-CB 3.29Å; R106-K110 WeakPolarHBondContact O-CB 3.35Å; R106-K110 PolarHBondContact O-N 2.79Å; E108-K110 VanDerWaalsContact C-N 3.33Å; E108-K110 PolarHBondContact O-N 2.7Å; K110-T114 WeakPolarHBondContact O-CB 3.47Å; K110-T114 PolarHBondContact O-N 3.42Å; K110-T114 PolarHBondContact O-OG1 3.23Å; K110-D122 IonicContact NZ-OD1 3.79Å; K110-D122 PolarHBondContact NZ-OD1 3.01Å; K110-Y125 HydrophobicContact CB-CD1 4.17Å; K110-Y125 HydrophobicContact CB-CD2 4.12Å; K110-Y125 HydrophobicContact CB-CE1 4.08Å; K110-Y125 HydrophobicContact CB-CE2 4.04Å; K110-Y125 HydrophobicContact CB-CG 4.2Å; K110-Y125 HydrophobicContact CD-CD2 4.19Å; K110-Y125 HydrophobicContact CD-CE2 3.94Å; K110-Y125 HydrophobicContact CG-CD2 4.12Å; K110-Y125 HydrophobicContact CG-CE1 4.33Å; K110-Y125 HydrophobicContact CG-CE2 3.64Å
111	Q	96.9	Very high	96	Very high	66 Å²	66	47.3 Å²	47.3	31%	0.308	26%	0.261	S	S	.	.	H	α-helix	trans	-66.2	-42.4	177.7	-73.7	172.4	78.2	0	0	112.1	Y96 N107 E108 L109 G115	Y96-Q111 HydrophobicContact CD1-CB 4.22Å; Y96-Q111 HydrophobicContact CE1-CB 4.32Å; N107-Q111 WeakPolarHBondContact O-CB 3.35Å; N107-Q111 VanDerWaalsContact O-CG 3.22Å; N107-Q111 WeakPolarHBondContact O-CG 3.46Å; N107-Q111 PolarHBondContact O-N 2.92Å; N107-Q111 PolarHBondContact O-NE2 3.26Å; E108-Q111 PolarHBondContact O-N 3.29Å; L109-Q111 VanDerWaalsContact C-N 3.31Å; L109-Q111 PolarHBondContact O-N 3.02Å; Q111-G115 PolarHBondContact O-N 3.38Å
112	A	96.9	Very high	96	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.1	-55.3	177.5	0	0	0	0	0	111.9	Y96 E108 L109 T114 G115 F116 F145	Y96-A112 HydrophobicContact CD1-CB 3.88Å; Y96-A112 HydrophobicContact CD2-CB 3.62Å; Y96-A112 VanDerWaalsContact CE1-CA 3.45Å; Y96-A112 HydrophobicContact CE1-CB 4.14Å; Y96-A112 HydrophobicContact CE2-CB 3.88Å; Y96-A112 HydrophobicContact CG-CB 3.62Å; E108-A112 WeakPolarHBondContact O-CB 3.34Å; E108-A112 PolarHBondContact O-N 3.14Å; L109-A112 PolarHBondContact O-N 3.4Å; A112-T114 PolarHBondContact O-N 2.88Å; A112-G115 CarbonylContact O-C 3.42Å; A112-G115 WeakPolarHBondContact O-CA 3.31Å; A112-G115 PolarHBondContact O-N 3.33Å; A112-G115 VanDerWaalsContact O-N 3.13Å; A112-F116 HydrophobicContact CB-CE2 4.44Å; A112-F116 HydrophobicContact CB-CZ 4.43Å; A112-F116 WeakPolarHBondContact O-CD1 3.29Å; A112-F116 WeakPolarHBondContact O-CD2 3.45Å; A112-F116 VanDerWaalsContact O-CG 3.23Å; A112-F116 WeakPolarHBondContact O-CG 3.48Å; A112-F116 PolarHBondContact O-N 3.2Å; A112-F145 HydrophobicContact CB-CE2 4.1Å; A112-F145 HydrophobicContact CB-CZ 4.05Å
113	L	97	Very high	96.2	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-67.7	-35.8	-178	-62.6	-176.4	0	0	0	111.9	L109 G115 F116 G117 Y118 L120 Y125 L128 L152	L109-L113 HydrophobicContact CD1-CD1 3.88Å; L109-L113 HydrophobicContact CD1-CG 3.95Å; L109-L113 HydrophobicContact CG-CD1 3.99Å; L109-L113 HydrophobicContact CG-CG 4.33Å; L109-L113 WeakPolarHBondContact O-CB 3.46Å; L109-L113 WeakPolarHBondContact O-CG 3.37Å; L109-L113 PolarHBondContact O-N 3.28Å; L113-G115 VanDerWaalsContact C-N 3.34Å; L113-F116 HydrophobicContact CD2-CD2 3.93Å; L113-F116 HydrophobicContact CD2-CE2 4.29Å; L113-F116 CarbonylContact O-C 3.59Å; L113-F116 PolarHBondContact O-N 2.87Å; L113-G117 PolarHBondContact O-N 3.39Å; L113-Y118 HydrophobicContact CB-CD2 4.1Å; L113-Y118 HydrophobicContact CB-CG 4.49Å; L113-Y118 HydrophobicContact CD2-CD2 4.09Å; L113-Y118 HydrophobicContact CD2-CE2 4.32Å; L113-Y118 WeakPolarHBondContact O-CB 3.36Å; L113-Y118 WeakPolarHBondContact O-CD2 3.4Å; L113-Y118 PolarHBondContact O-N 2.89Å; L113-L120 HydrophobicContact CD1-CD1 3.98Å; L113-Y125 HydrophobicContact CB-CE1 4.13Å; L113-Y125 HydrophobicContact CD1-CD1 4.19Å; L113-Y125 HydrophobicContact CD1-CE1 3.99Å; L113-L128 HydrophobicContact CD1-CD1 3.58Å; L113-L152 HydrophobicContact CD1-CD2 3.92Å; L113-L152 HydrophobicContact CD2-CD2 3.98Å
114	T	95.7	Very high	96.2	Very high	74 Å²	74	57.6 Å²	57.6	45%	0.454	30%	0.3	S	S	.	.	H	α-helix	trans	-64.9	-39.4	171.9	-57.2	0	0	0	0	111.3	K110 A112 F116 G117	K110-T114 WeakPolarHBondContact O-CB 3.47Å; K110-T114 PolarHBondContact O-N 3.42Å; K110-T114 PolarHBondContact O-OG1 3.23Å; A112-T114 PolarHBondContact O-N 2.88Å; T114-F116 VanDerWaalsContact C-N 3.28Å; T114-F116 PolarHBondContact O-N 2.97Å; T114-G117 VanDerWaalsContact O-CA 3.27Å; T114-G117 WeakPolarHBondContact O-CA 3.32Å; T114-G117 PolarHBondContact O-N 3.48Å
115	G	94	Very high	96.1	Very high	55 Å²	55	57.8 Å²	57.8	57%	0.567	30%	0.301	S	S	*	.	H	α-helix	trans	-64.9	-32.3	174.5	0	0	0	0	0	112.7	Q111 A112 L113 G117	Q111-G115 PolarHBondContact O-N 3.38Å; A112-G115 CarbonylContact O-C 3.42Å; A112-G115 WeakPolarHBondContact O-CA 3.31Å; A112-G115 PolarHBondContact O-N 3.33Å; A112-G115 VanDerWaalsContact O-N 3.13Å; L113-G115 VanDerWaalsContact C-N 3.34Å; G115-G117 PolarHBondContact O-N 3.08Å
116	F	93.7	Very high	96.1	Very high	19 Å²	19	56.7 Å²	56.7	8%	0.083	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	6.5	167.7	-54.9	-20.7	0	0	0	112.9	P6 Y7 W89 I92 Y96 A112 L113 T114 Y118 F145	P6-F116 CarbonylContact C-O 3.59Å; P6-F116 WeakPolarHBondContact CB-O 3.31Å; Y7-F116 HydrophobicContact CD2-CB 3.88Å; Y7-F116 HydrophobicContact CD2-CD1 4.12Å; Y7-F116 HydrophobicContact CD2-CD2 4.34Å; Y7-F116 AromaticContact CD2-CG 3.85Å; Y7-F116 HydrophobicContact CD2-CG 3.85Å; Y7-F116 HydrophobicContact CE2-CB 4.23Å; Y7-F116 AromaticContact CE2-CD1 3.65Å; Y7-F116 HydrophobicContact CE2-CD1 3.65Å; Y7-F116 AromaticContact CE2-CD2 3.99Å; Y7-F116 HydrophobicContact CE2-CD2 3.99Å; Y7-F116 HydrophobicContact CE2-CE1 4Å; Y7-F116 HydrophobicContact CE2-CE2 4.32Å; Y7-F116 AromaticContact CE2-CG 3.68Å; Y7-F116 HydrophobicContact CE2-CG 3.68Å; Y7-F116 HydrophobicContact CE2-CZ 4.34Å; W89-F116 HydrophobicContact CH2-CE2 4.37Å; W89-F116 HydrophobicContact CZ3-CE2 4.19Å; W89-F116 HydrophobicContact CZ3-CZ 4.23Å; I92-F116 HydrophobicContact CG2-CE1 3.98Å; I92-F116 HydrophobicContact CG2-CZ 3.47Å; I92-F116 VanDerWaalsContact CG2-CZ 3.47Å; Y96-F116 HydrophobicContact CE2-CE1 4.01Å; Y96-F116 HydrophobicContact CE2-CZ 4.18Å; A112-F116 HydrophobicContact CB-CE2 4.44Å; A112-F116 HydrophobicContact CB-CZ 4.43Å; A112-F116 WeakPolarHBondContact O-CD1 3.29Å; A112-F116 WeakPolarHBondContact O-CD2 3.45Å; A112-F116 VanDerWaalsContact O-CG 3.23Å; A112-F116 WeakPolarHBondContact O-CG 3.48Å; A112-F116 PolarHBondContact O-N 3.2Å; L113-F116 HydrophobicContact CD2-CD2 3.93Å; L113-F116 HydrophobicContact CD2-CE2 4.29Å; L113-F116 CarbonylContact O-C 3.59Å; L113-F116 PolarHBondContact O-N 2.87Å; T114-F116 VanDerWaalsContact C-N 3.28Å; T114-F116 PolarHBondContact O-N 2.97Å; F116-Y118 HydrophobicContact CB-CD2 3.92Å; F116-Y118 HydrophobicContact CB-CE2 4.07Å; F116-Y118 PolarHBondContact O-N 3.42Å; F116-F145 HydrophobicContact CE2-CZ 4.02Å; F116-F145 HydrophobicContact CZ-CZ 4.18Å
117	G	93.9	Very high	96.1	Very high	37 Å²	37	56 Å²	56	38%	0.381	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.9	18.3	176.8	0	0	0	0	0	116.4	L113 T114 G115	L113-G117 PolarHBondContact O-N 3.39Å; T114-G117 VanDerWaalsContact O-CA 3.27Å; T114-G117 WeakPolarHBondContact O-CA 3.32Å; T114-G117 PolarHBondContact O-N 3.48Å; G115-G117 PolarHBondContact O-N 3.08Å
118	Y	94.3	Very high	96.1	Very high	19 Å²	19	52.2 Å²	52.2	8%	0.075	28%	0.284	C	S	.	.			trans	-70.1	146.1	165.1	-69.2	-80	0	0	0	111.3	L113 F116 L152 Q153 T156	L113-Y118 HydrophobicContact CB-CD2 4.1Å; L113-Y118 HydrophobicContact CB-CG 4.49Å; L113-Y118 HydrophobicContact CD2-CD2 4.09Å; L113-Y118 HydrophobicContact CD2-CE2 4.32Å; L113-Y118 WeakPolarHBondContact O-CB 3.36Å; L113-Y118 WeakPolarHBondContact O-CD2 3.4Å; L113-Y118 PolarHBondContact O-N 2.89Å; F116-Y118 HydrophobicContact CB-CD2 3.92Å; F116-Y118 HydrophobicContact CB-CE2 4.07Å; F116-Y118 PolarHBondContact O-N 3.42Å; Y118-L152 HydrophobicContact CD1-CD2 3.91Å; Y118-L152 HydrophobicContact CD1-CG 4.21Å; Y118-L152 HydrophobicContact CD2-CD2 4.05Å; Y118-L152 HydrophobicContact CE1-CD1 4.45Å; Y118-L152 HydrophobicContact CE1-CD2 3.73Å; Y118-L152 HydrophobicContact CE1-CG 3.66Å; Y118-L152 HydrophobicContact CE2-CD2 3.88Å; Y118-L152 HydrophobicContact CE2-CG 4.45Å; Y118-L152 HydrophobicContact CG-CD2 4.07Å; Y118-Q153 WeakPolarHBondContact OH-CA 3.04Å; Y118-Q153 PolarHBondContact OH-N 2.94Å; Y118-T156 HydrophobicContact CE1-CG2 4.21Å; Y118-T156 WeakPolarHBondContact CE1-OG1 3.48Å
119	R	93.1	Very high	96.1	Very high	204 Å²	204	52.3 Å²	52.3	77%	0.77	28%	0.284	S	S	*	.			trans	-123.4	90.8	175.1	-63	-174.4	-179.2	-161	-0.2	108.6
120	L	96.1	Very high	96.1	Very high	47 Å²	47	60 Å²	60	25%	0.246	32%	0.32	C	S	.	.			trans	-116.1	151.1	-175	-55.3	169.1	0	0	0	110	L113 F124 Y125 L128 L152	L113-L120 HydrophobicContact CD1-CD1 3.98Å; L120-F124 HydrophobicContact CB-CD1 4.17Å; L120-F124 HydrophobicContact CD1-CD1 3.97Å; L120-F124 HydrophobicContact CD1-CE1 4.29Å; L120-F124 HydrophobicContact CD2-CD1 3.89Å; L120-F124 HydrophobicContact CD2-CE1 4.08Å; L120-F124 HydrophobicContact CG-CD1 4.21Å; L120-Y125 HydrophobicContact CB-CE1 4.13Å; L120-Y125 HydrophobicContact CB-CE2 4.19Å; L120-Y125 HydrophobicContact CD1-CE1 3.96Å; L120-L128 HydrophobicContact CD1-CD1 4.06Å; L120-L152 HydrophobicContact CD1-CD2 4.22Å
121	S	97.1	Very high	96	Very high	75 Å²	75	64 Å²	64	52%	0.524	34%	0.337	S	S	.	.			trans	-68.2	153.5	174	71	0	0	0	0	110.6	Q123 F124 Y125	S121-Q123 PolarHBondContact O-N 2.8Å; S121-F124 PolarHBondContact O-N 3.43Å; S121-F124 VanDerWaalsContact O-N 3.08Å; S121-F124 WeakPolarHBondContact OG-CB 3.34Å; S121-F124 PolarHBondContact OG-N 3.23Å; S121-Y125 VanDerWaalsContact O-CD2 3.31Å; S121-Y125 WeakPolarHBondContact O-CD2 3.5Å
122	D	94.3	Very high	96	Very high	73 Å²	73	62 Å²	62	39%	0.39	33%	0.328	S	S	.	.	H	α-helix	trans	-56.9	-42.1	-180	-157.2	64.3	0	0	0	111.1	R106 K110 F124 Y125	R106-D122 IonicContact CZ-OD1 3.62Å; R106-D122 IonicContact CZ-OD2 2.94Å; R106-D122 VanDerWaalsContact CZ-OD2 3.23Å; R106-D122 IonicContact NH1-OD1 2.63Å; R106-D122 IonicContact NH1-OD2 3.3Å; R106-D122 PolarHBondContact NH1-OD2 3.44Å; R106-D122 PolarHBondContact NH2-O 2.75Å; R106-D122 IonicContact NH2-OD1 3.23Å; R106-D122 IonicContact NH2-OD2 3.99Å; R106-D122 PolarHBondContact NH2-OD2 2.9Å; K110-D122 IonicContact NZ-OD1 3.79Å; K110-D122 PolarHBondContact NZ-OD1 3.01Å; D122-F124 VanDerWaalsContact C-N 3.31Å; D122-F124 PolarHBondContact O-N 3.17Å; D122-Y125 PolarHBondContact O-N 3.47Å
123	Q	96.8	Very high	96	Very high	160 Å²	160	62.8 Å²	62.8	75%	0.748	33%	0.332	S	S	*	.	H	α-helix	trans	-60.2	-38.7	177.9	-171.9	175.3	14.9	0	0	112.8	S121 Y125 G126 T127	S121-Q123 PolarHBondContact O-N 2.8Å; Q123-Y125 VanDerWaalsContact C-N 3.28Å; Q123-Y125 PolarHBondContact O-N 2.93Å; Q123-G126 PolarHBondContact O-N 3.05Å; Q123-T127 PolarHBondContact O-N 3.17Å
124	F	97.2	Very high	95.9	Very high	78 Å²	78	67.9 Å²	67.9	34%	0.342	35%	0.351	S	S	.	.	H	α-helix	trans	-66.9	-28.2	-176	-167.4	-106.2	0	0	0	112.9	L120 S121 D122 G126 T127 L128 L152	L120-F124 HydrophobicContact CB-CD1 4.17Å; L120-F124 HydrophobicContact CD1-CD1 3.97Å; L120-F124 HydrophobicContact CD1-CE1 4.29Å; L120-F124 HydrophobicContact CD2-CD1 3.89Å; L120-F124 HydrophobicContact CD2-CE1 4.08Å; L120-F124 HydrophobicContact CG-CD1 4.21Å; S121-F124 PolarHBondContact O-N 3.43Å; S121-F124 VanDerWaalsContact O-N 3.08Å; S121-F124 WeakPolarHBondContact OG-CB 3.34Å; S121-F124 PolarHBondContact OG-N 3.23Å; D122-F124 VanDerWaalsContact C-N 3.31Å; D122-F124 PolarHBondContact O-N 3.17Å; F124-G126 PolarHBondContact O-N 3.22Å; F124-T127 WeakPolarHBondContact O-CB 3.38Å; F124-T127 PolarHBondContact O-N 3.23Å; F124-L128 HydrophobicContact CD1-CD1 4.03Å; F124-L128 HydrophobicContact CD1-CG 4.06Å; F124-L128 HydrophobicContact CE1-CD1 4.02Å; F124-L128 HydrophobicContact CE1-CD2 3.87Å; F124-L128 HydrophobicContact CE1-CG 3.9Å; F124-L128 HydrophobicContact CZ-CD2 4.25Å; F124-L128 WeakPolarHBondContact O-CG 3.49Å; F124-L128 PolarHBondContact O-N 3.37Å; F124-L152 HydrophobicContact CE1-CD1 4.41Å
125	Y	97.3	Very high	95.7	Very high	4 Å²	4	66.6 Å²	66.6	2%	0.016	34%	0.34	C	S	.	.	H	α-helix	trans	-61.8	-33.9	171.2	-62.4	-69.4	0	0	0	112.5	L109 K110 L113 L120 S121 D122 Q123 L128 I129	L109-Y125 HydrophobicContact CG-CD1 4.43Å; K110-Y125 HydrophobicContact CB-CD1 4.17Å; K110-Y125 HydrophobicContact CB-CD2 4.12Å; K110-Y125 HydrophobicContact CB-CE1 4.08Å; K110-Y125 HydrophobicContact CB-CE2 4.04Å; K110-Y125 HydrophobicContact CB-CG 4.2Å; K110-Y125 HydrophobicContact CD-CD2 4.19Å; K110-Y125 HydrophobicContact CD-CE2 3.94Å; K110-Y125 HydrophobicContact CG-CD2 4.12Å; K110-Y125 HydrophobicContact CG-CE1 4.33Å; K110-Y125 HydrophobicContact CG-CE2 3.64Å; L113-Y125 HydrophobicContact CB-CE1 4.13Å; L113-Y125 HydrophobicContact CD1-CD1 4.19Å; L113-Y125 HydrophobicContact CD1-CE1 3.99Å; L120-Y125 HydrophobicContact CB-CE1 4.13Å; L120-Y125 HydrophobicContact CB-CE2 4.19Å; L120-Y125 HydrophobicContact CD1-CE1 3.96Å; S121-Y125 VanDerWaalsContact O-CD2 3.31Å; S121-Y125 WeakPolarHBondContact O-CD2 3.5Å; D122-Y125 PolarHBondContact O-N 3.47Å; Q123-Y125 VanDerWaalsContact C-N 3.28Å; Q123-Y125 PolarHBondContact O-N 2.93Å; Y125-L128 HydrophobicContact CD1-CD1 4.47Å; Y125-L128 PolarHBondContact O-N 3.47Å; Y125-I129 PolarHBondContact O-N 2.78Å; Y125-I129 VanDerWaalsContact O-N 3.1Å
126	G	96.3	Very high	95.7	Very high	18 Å²	18	75 Å²	75	19%	0.186	36%	0.355	C	S	.	.	H	α-helix	trans	-64	-46.1	172.9	0	0	0	0	0	111.5	Q123 F124 L128 I129 E130	Q123-G126 PolarHBondContact O-N 3.05Å; F124-G126 PolarHBondContact O-N 3.22Å; G126-L128 VanDerWaalsContact C-N 3.29Å; G126-L128 PolarHBondContact O-N 3.28Å; G126-I129 PolarHBondContact O-N 3.25Å; G126-E130 WeakPolarHBondContact O-CG 3.41Å; G126-E130 PolarHBondContact O-N 3.41Å
127	T	97.6	Very high	95.6	Very high	68 Å²	68	79.6 Å²	79.6	42%	0.417	38%	0.375	S	S	.	.	H	α-helix	trans	-59.5	-38.6	175.4	-53.3	0	0	0	0	112.4	Q123 F124 K131	Q123-T127 PolarHBondContact O-N 3.17Å; F124-T127 WeakPolarHBondContact O-CB 3.38Å; F124-T127 PolarHBondContact O-N 3.23Å; T127-K131 VanDerWaalsContact O-CB 3.23Å; T127-K131 WeakPolarHBondContact O-CB 3.35Å; T127-K131 PolarHBondContact O-N 3.4Å
128	L	97.7	Very high	95.6	Very high	12 Å²	12	79.9 Å²	79.9	6%	0.063	38%	0.378	C	S	.	.	H	α-helix	trans	-64.4	-45.8	175.8	-70.2	175.7	0	0	0	111.7	L109 L113 L120 F124 Y125 G126 K131 F132	L109-L128 HydrophobicContact CD2-CB 4.05Å; L113-L128 HydrophobicContact CD1-CD1 3.58Å; L120-L128 HydrophobicContact CD1-CD1 4.06Å; F124-L128 HydrophobicContact CD1-CD1 4.03Å; F124-L128 HydrophobicContact CD1-CG 4.06Å; F124-L128 HydrophobicContact CE1-CD1 4.02Å; F124-L128 HydrophobicContact CE1-CD2 3.87Å; F124-L128 HydrophobicContact CE1-CG 3.9Å; F124-L128 HydrophobicContact CZ-CD2 4.25Å; F124-L128 WeakPolarHBondContact O-CG 3.49Å; F124-L128 PolarHBondContact O-N 3.37Å; Y125-L128 HydrophobicContact CD1-CD1 4.47Å; Y125-L128 PolarHBondContact O-N 3.47Å; G126-L128 VanDerWaalsContact C-N 3.29Å; G126-L128 PolarHBondContact O-N 3.28Å; L128-K131 PolarHBondContact O-N 2.97Å; L128-F132 HydrophobicContact CD2-CE2 4.16Å; L128-F132 VanDerWaalsContact O-CD2 3.3Å; L128-F132 WeakPolarHBondContact O-CD2 3.39Å; L128-F132 PolarHBondContact O-N 3.07Å; L128-F132 VanDerWaalsContact O-N 3.09Å
129	I	97.3	Very high	95.7	Very high	12 Å²	12	81.3 Å²	81.3	6%	0.062	39%	0.385	C	S	.	.	H	α-helix	trans	-59.5	-51.9	176	-72	177.7	0	0	0	110.3	R106 L109 Y125 G126 K131 F132 D133 V140	R106-I129 VanDerWaalsContact CA-CD1 3.43Å; R106-I129 HydrophobicContact CB-CD1 3.58Å; R106-I129 HydrophobicContact CG-CD1 4.12Å; L109-I129 HydrophobicContact CD2-CD1 4.41Å; L109-I129 HydrophobicContact CD2-CG1 3.81Å; Y125-I129 PolarHBondContact O-N 2.78Å; Y125-I129 VanDerWaalsContact O-N 3.1Å; G126-I129 PolarHBondContact O-N 3.25Å; I129-K131 PolarHBondContact O-N 2.8Å; I129-K131 VanDerWaalsContact O-N 3.16Å; I129-F132 PolarHBondContact O-N 3.19Å; I129-D133 HydrophobicContact CG2-CB 4.2Å; I129-D133 WeakPolarHBondContact O-CB 3.31Å; I129-D133 PolarHBondContact O-N 2.98Å; I129-V140 HydrophobicContact CG1-CG1 4.32Å
130	E	96.7	Very high	95.9	Very high	160 Å²	160	71.7 Å²	71.7	75%	0.748	35%	0.349	S	S	*	.	H	α-helix	trans	-57.2	-34.3	179.7	-71.8	173.8	-177.7	0	0	112.9	G126	G126-E130 WeakPolarHBondContact O-CG 3.41Å; G126-E130 PolarHBondContact O-N 3.41Å
131	K	96.9	Very high	96	Very high	162 Å²	162	69.5 Å²	69.5	70%	0.704	34%	0.338	S	S	*	.	H	α-helix	trans	-74.9	-36.5	-178.8	-177.5	60.3	176.3	179.2	0	113.3	T127 L128 I129	T127-K131 VanDerWaalsContact O-CB 3.23Å; T127-K131 WeakPolarHBondContact O-CB 3.35Å; T127-K131 PolarHBondContact O-N 3.4Å; L128-K131 PolarHBondContact O-N 2.97Å; I129-K131 PolarHBondContact O-N 2.8Å; I129-K131 VanDerWaalsContact O-N 3.16Å
132	F	97.3	Very high	96	Very high	25 Å²	25	66.5 Å²	66.5	11%	0.11	32%	0.315	C	S	.	.	H	α-helix	trans	-109.4	-18.1	-170.6	-68.3	-77.3	0	0	0	114.1	L128 I129 R134 V140 D144 Q147 C148 V151	L128-F132 HydrophobicContact CD2-CE2 4.16Å; L128-F132 VanDerWaalsContact O-CD2 3.3Å; L128-F132 WeakPolarHBondContact O-CD2 3.39Å; L128-F132 PolarHBondContact O-N 3.07Å; L128-F132 VanDerWaalsContact O-N 3.09Å; I129-F132 PolarHBondContact O-N 3.19Å; F132-R134 PolarHBondContact O-N 2.79Å; F132-V140 HydrophobicContact CB-CG1 4.42Å; F132-D144 VanDerWaalsContact O-CB 3.27Å; F132-D144 WeakPolarHBondContact O-CB 3.4Å; F132-Q147 HydrophobicContact CD1-CB 4.29Å; F132-Q147 HydrophobicContact CD1-CG 4.18Å; F132-Q147 HydrophobicContact CE1-CB 4.43Å; F132-Q147 HydrophobicContact CE1-CG 3.97Å; F132-C148 HydrophobicContact CB-CB 4.2Å; F132-C148 HydrophobicContact CD1-CB 4.1Å; F132-C148 HydrophobicContact CD2-CB 3.62Å; F132-C148 VanDerWaalsContact CD2-SG 3.53Å; F132-C148 HydrophobicContact CE1-CB 4.43Å; F132-C148 HydrophobicContact CE2-CB 3.99Å; F132-C148 HydrophobicContact CG-CB 3.69Å; F132-C148 HydrophobicContact CZ-CB 4.39Å; F132-V151 HydrophobicContact CE1-CB 4.3Å; F132-V151 HydrophobicContact CE1-CG2 4.1Å; F132-V151 HydrophobicContact CZ-CB 3.84Å; F132-V151 HydrophobicContact CZ-CG1 3.98Å; F132-V151 HydrophobicContact CZ-CG2 4.12Å
133	D	96.4	Very high	96.1	Very high	16 Å²	16	63 Å²	63	9%	0.086	30%	0.297	C	S	.	.			trans	-71.9	89.7	175.9	176.8	11.4	0	0	0	111.5	I129 Q135 R136 K137 G138 V140	I129-D133 HydrophobicContact CG2-CB 4.2Å; I129-D133 WeakPolarHBondContact O-CB 3.31Å; I129-D133 PolarHBondContact O-N 2.98Å; D133-Q135 PolarHBondContact O-N 3.43Å; D133-Q135 WeakPolarHBondContact OD1-CA 3.48Å; D133-Q135 PolarHBondContact OD1-N 2.94Å; D133-R136 VanDerWaalsContact CG-N 3.29Å; D133-R136 PolarHBondContact O-N 2.77Å; D133-R136 PolarHBondContact OD1-N 3.22Å; D133-R136 VanDerWaalsContact OD2-C 3.29Å; D133-R136 WeakPolarHBondContact OD2-CA 3.12Å; D133-R136 PolarHBondContact OD2-N 3.24Å; D133-K137 PolarHBondContact OD1-N 3.09Å; D133-K137 PolarHBondContact OD2-N 3.07Å; D133-G138 PolarHBondContact OD2-N 3.21Å; D133-V140 HydrophobicContact CB-CG1 4.31Å
134	R	95	Very high	96.2	Very high	108 Å²	108	55.4 Å²	55.4	41%	0.408	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-18.9	176	-67.7	-175.6	-62.5	142.6	9.8	113.2	N55 F132 D143 D144	N55-R134 VanDerWaalsContact CA-NH1 3.32Å; N55-R134 PolarHBondContact ND2-NE 3.19Å; F132-R134 PolarHBondContact O-N 2.79Å; R134-D143 IonicContact CZ-OD2 3.77Å; R134-D143 IonicContact NH2-OD1 2.72Å; R134-D143 PolarHBondContact NH2-OD1 2.84Å; R134-D143 IonicContact NH2-OD2 3.84Å; R134-D143 PolarHBondContact NH2-OD2 3.2Å; R134-D144 IonicContact CZ-OD1 2.7Å; R134-D144 IonicContact CZ-OD2 3.08Å; R134-D144 VanDerWaalsContact NE-CG 3.3Å; R134-D144 IonicContact NE-OD1 2.71Å; R134-D144 PolarHBondContact NE-OD1 2.96Å; R134-D144 IonicContact NE-OD2 3.36Å; R134-D144 PolarHBondContact NE-OD2 3.35Å; R134-D144 VanDerWaalsContact NE-OD2 3.08Å; R134-D144 IonicContact NH2-OD1 3.32Å; R134-D144 PolarHBondContact NH2-OD1 2.99Å; R134-D144 IonicContact NH2-OD2 3.67Å; R134-D144 PolarHBondContact NH2-OD2 2.91Å
135	Q	91.3	Very high	96.2	Very high	47 Å²	47	51.7 Å²	51.7	22%	0.22	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-10.6	-177.2	-62.3	-174.6	36.3	0	0	113	T50 D133 K137	T50-Q135 VanDerWaalsContact CG2-NE2 3.27Å; T50-Q135 PolarHBondContact OG1-NE2 2.87Å; D133-Q135 PolarHBondContact O-N 3.43Å; D133-Q135 WeakPolarHBondContact OD1-CA 3.48Å; D133-Q135 PolarHBondContact OD1-N 2.94Å; Q135-K137 VanDerWaalsContact C-N 3.28Å; Q135-K137 HydrophobicContact CB-CD 4.1Å; Q135-K137 HydrophobicContact CB-CG 4.08Å; Q135-K137 PolarHBondContact O-N 3.33Å
136	R	93.1	Very high	96.2	Very high	230 Å²	230	51.5 Å²	51.5	87%	0.868	24%	0.244	S	C	*	.			trans	55.1	42.3	-178.9	-57.6	-176.2	174.5	179.6	-1.8	112.5	D133	D133-R136 VanDerWaalsContact CG-N 3.29Å; D133-R136 PolarHBondContact O-N 2.77Å; D133-R136 PolarHBondContact OD1-N 3.22Å; D133-R136 VanDerWaalsContact OD2-C 3.29Å; D133-R136 WeakPolarHBondContact OD2-CA 3.12Å; D133-R136 PolarHBondContact OD2-N 3.24Å
137	K	91.5	Very high	96.3	Very high	116 Å²	116	51.5 Å²	51.5	50%	0.504	24%	0.239	S	C	.	.	S	Bend	trans	-95.1	-8.2	176.3	-71.5	178.6	173.7	168.8	0	113.3	F103 D133 Q135 Q139	F103-K137 HydrophobicContact CE1-CD 3.9Å; F103-K137 HydrophobicContact CZ-CD 3.95Å; F103-K137 VanDerWaalsContact CZ-NZ 3.31Å; D133-K137 PolarHBondContact OD1-N 3.09Å; D133-K137 PolarHBondContact OD2-N 3.07Å; Q135-K137 VanDerWaalsContact C-N 3.28Å; Q135-K137 HydrophobicContact CB-CD 4.1Å; Q135-K137 HydrophobicContact CB-CG 4.08Å; Q135-K137 PolarHBondContact O-N 3.33Å; K137-Q139 VanDerWaalsContact C-N 3.27Å
138	G	94.8	Very high	96.3	Very high	44 Å²	44	48.3 Å²	48.3	45%	0.454	22%	0.22	S	C	.	.	S	Bend	trans	76.9	15.3	-171	0	0	0	0	0	113.2	D133	D133-G138 PolarHBondContact OD2-N 3.21Å
139	Q	96.3	Very high	96.2	Very high	49 Å²	49	48 Å²	48	23%	0.229	22%	0.218	C	C	.	.	S	Bend	trans	-144.4	154.4	179.5	-54.7	177.2	-68.4	0	0	108.6	F103 I104 D105 K137	F103-Q139 HydrophobicContact CB-CB 3.75Å; F103-Q139 HydrophobicContact CD1-CB 4.43Å; F103-Q139 HydrophobicContact CG-CB 4.36Å; I104-Q139 CarbonylContact O-C 3.57Å; I104-Q139 WeakPolarHBondContact O-CA 3.39Å; D105-Q139 HydrophobicContact CB-CG 4.08Å; K137-Q139 VanDerWaalsContact C-N 3.27Å
140	V	97.1	Very high	96.1	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	131.4	-177.5	-62.7	0	0	0	0	111.6	F103 I104 I129 F132 D133 F145	F103-V140 CarbonylContact C-O 3.5Å; F103-V140 WeakPolarHBondContact CA-O 3.48Å; I104-V140 HydrophobicContact CB-CG2 3.71Å; I104-V140 HydrophobicContact CG2-CG2 4Å; I104-V140 PolarHBondContact N-O 3.25Å; I104-V140 PolarHBondContact O-N 3.29Å; I129-V140 HydrophobicContact CG1-CG1 4.32Å; F132-V140 HydrophobicContact CB-CG1 4.42Å; D133-V140 HydrophobicContact CB-CG1 4.31Å; V140-F145 HydrophobicContact CG2-CB 4.14Å; V140-F145 HydrophobicContact CG2-CD2 4.3Å
141	A	97.4	Very high	96	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.008	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	168.5	173.8	0	0	0	0	0	111.3	T50 F103 D143 D144 F145	T50-A141 HydrophobicContact CG2-CB 3.94Å; F103-A141 HydrophobicContact CD1-CB 4.17Å; F103-A141 HydrophobicContact CE1-CB 4.06Å; A141-D143 PolarHBondContact O-N 2.95Å; A141-D144 PolarHBondContact O-N 3.36Å; A141-F145 WeakPolarHBondContact O-CB 3.45Å; A141-F145 PolarHBondContact O-N 3.12Å
142	F	97.4	Very high	96	Very high	12 Å²	12	34.8 Å²	34.8	5%	0.053	16%	0.162	C	C	.	.	H	α-helix	trans	-54	-47.3	-176.3	171.6	-118.4	0	0	0	114.5	F54 I86 W89 Q90 F93 F145 I146	F54-F142 AromaticContact CE2-CD1 3.83Å; F54-F142 HydrophobicContact CE2-CD1 3.83Å; F54-F142 AromaticContact CE2-CE1 3.89Å; F54-F142 HydrophobicContact CE2-CE1 3.89Å; F54-F142 HydrophobicContact CZ-CD1 4.33Å; F54-F142 HydrophobicContact CZ-CE1 4.19Å; I86-F142 HydrophobicContact CG2-CZ 4.47Å; W89-F142 HydrophobicContact CB-CE2 4.03Å; W89-F142 HydrophobicContact CB-CZ 4.22Å; Q90-F142 HydrophobicContact CB-CE2 4.42Å; Q90-F142 HydrophobicContact CB-CZ 4.32Å; Q90-F142 HydrophobicContact CG-CE1 3.91Å; Q90-F142 HydrophobicContact CG-CE2 3.87Å; Q90-F142 HydrophobicContact CG-CZ 3.36Å; F93-F142 HydrophobicContact CB-CD2 3.75Å; F93-F142 HydrophobicContact CB-CE2 4.11Å; F93-F142 HydrophobicContact CD1-CD2 4.34Å; F93-F142 HydrophobicContact CD2-CB 4.19Å; F93-F142 AromaticContact CD2-CD2 3.81Å; F93-F142 HydrophobicContact CD2-CD2 3.81Å; F93-F142 HydrophobicContact CE1-CB 4.42Å; F93-F142 VanDerWaalsContact CE2-CA 3.42Å; F93-F142 HydrophobicContact CE2-CB 4.03Å; F93-F142 HydrophobicContact CE2-CD2 4.49Å; F93-F142 HydrophobicContact CG-CB 4.43Å; F93-F142 AromaticContact CG-CD2 3.71Å; F93-F142 HydrophobicContact CG-CD2 3.71Å; F93-F142 HydrophobicContact CZ-CB 4.15Å; F142-F145 PolarHBondContact O-N 3.46Å; F142-I146 HydrophobicContact CD1-CD1 4.43Å; F142-I146 HydrophobicContact CD2-CD1 4.24Å; F142-I146 HydrophobicContact CE1-CD1 3.82Å; F142-I146 HydrophobicContact CE2-CD1 3.61Å; F142-I146 HydrophobicContact CE2-CG1 4.12Å; F142-I146 HydrophobicContact CZ-CD1 3.36Å; F142-I146 HydrophobicContact CZ-CG1 4.36Å; F142-I146 WeakPolarHBondContact O-CG1 3.4Å; F142-I146 PolarHBondContact O-N 3.28Å
143	D	97.8	Very high	95.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-68.3	-35.3	-178.7	54.1	-8.5	0	0	0	113	N48 F54 N55 T58 R134 A141 Q147	N48-D143 HydrophobicContact CB-CB 4.03Å; N48-D143 VanDerWaalsContact CB-CG 3.41Å; N48-D143 WeakPolarHBondContact CB-OD2 3.45Å; N48-D143 PolarHBondContact ND2-OD2 2.78Å; F54-D143 WeakPolarHBondContact CA-OD2 3.49Å; F54-D143 HydrophobicContact CD1-CB 3.62Å; F54-D143 HydrophobicContact CD2-CB 3.74Å; F54-D143 HydrophobicContact CE1-CB 3.42Å; F54-D143 VanDerWaalsContact CE1-CB 3.42Å; F54-D143 HydrophobicContact CE2-CB 3.53Å; F54-D143 HydrophobicContact CG-CB 3.8Å; F54-D143 HydrophobicContact CZ-CB 3.37Å; N55-D143 HydrophobicContact CB-CB 4.02Å; N55-D143 PolarHBondContact N-OD2 3.16Å; T58-D143 WeakPolarHBondContact CG2-O 3.48Å; T58-D143 PolarHBondContact OG1-O 3.24Å; R134-D143 IonicContact CZ-OD2 3.77Å; R134-D143 IonicContact NH2-OD1 2.72Å; R134-D143 PolarHBondContact NH2-OD1 2.84Å; R134-D143 IonicContact NH2-OD2 3.84Å; R134-D143 PolarHBondContact NH2-OD2 3.2Å; A141-D143 PolarHBondContact O-N 2.95Å; D143-Q147 PolarHBondContact O-N 3.36Å
144	D	97.9	Very high	95.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-76.2	-32.9	177	-69.3	-26.8	0	0	0	112.4	N55 F132 R134 A141 Q147 C148	N55-D144 PolarHBondContact ND2-OD1 3.1Å; F132-D144 VanDerWaalsContact O-CB 3.27Å; F132-D144 WeakPolarHBondContact O-CB 3.4Å; R134-D144 IonicContact CZ-OD1 2.7Å; R134-D144 IonicContact CZ-OD2 3.08Å; R134-D144 VanDerWaalsContact NE-CG 3.3Å; R134-D144 IonicContact NE-OD1 2.71Å; R134-D144 PolarHBondContact NE-OD1 2.96Å; R134-D144 IonicContact NE-OD2 3.36Å; R134-D144 PolarHBondContact NE-OD2 3.35Å; R134-D144 VanDerWaalsContact NE-OD2 3.08Å; R134-D144 IonicContact NH2-OD1 3.32Å; R134-D144 PolarHBondContact NH2-OD1 2.99Å; R134-D144 IonicContact NH2-OD2 3.67Å; R134-D144 PolarHBondContact NH2-OD2 2.91Å; A141-D144 PolarHBondContact O-N 3.36Å; D144-Q147 PolarHBondContact O-N 3.26Å; D144-C148 WeakPolarHBondContact O-CB 3.42Å; D144-C148 PolarHBondContact O-N 3.12Å
145	F	97.9	Very high	95.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63	-44	172	175.7	-106.6	0	0	0	111.9	W89 I92 F93 I104 L109 A112 F116 V140 A141 F142 Q147 C148 C149	W89-F145 HydrophobicContact CE3-CD1 4.22Å; W89-F145 AromaticContact CE3-CE1 3.78Å; W89-F145 HydrophobicContact CE3-CE1 3.78Å; W89-F145 HydrophobicContact CZ3-CD1 4.24Å; W89-F145 AromaticContact CZ3-CE1 3.56Å; W89-F145 HydrophobicContact CZ3-CE1 3.56Å; W89-F145 HydrophobicContact CZ3-CZ 4.17Å; I92-F145 HydrophobicContact CG2-CE1 4.03Å; I92-F145 HydrophobicContact CG2-CZ 4.37Å; F93-F145 HydrophobicContact CD2-CB 4.06Å; F93-F145 AromaticContact CD2-CD1 3.77Å; F93-F145 HydrophobicContact CD2-CD1 3.77Å; F93-F145 HydrophobicContact CD2-CE1 4.48Å; F93-F145 HydrophobicContact CD2-CG 4.03Å; F93-F145 HydrophobicContact CE2-CB 4.08Å; F93-F145 HydrophobicContact CE2-CG 4.42Å; I104-F145 HydrophobicContact CG1-CD2 4.49Å; I104-F145 HydrophobicContact CG2-CD2 4.48Å; L109-F145 HydrophobicContact CD1-CD2 4.02Å; L109-F145 HydrophobicContact CD1-CE2 3.88Å; A112-F145 HydrophobicContact CB-CE2 4.1Å; A112-F145 HydrophobicContact CB-CZ 4.05Å; F116-F145 HydrophobicContact CE2-CZ 4.02Å; F116-F145 HydrophobicContact CZ-CZ 4.18Å; V140-F145 HydrophobicContact CG2-CB 4.14Å; V140-F145 HydrophobicContact CG2-CD2 4.3Å; A141-F145 WeakPolarHBondContact O-CB 3.45Å; A141-F145 PolarHBondContact O-N 3.12Å; F142-F145 PolarHBondContact O-N 3.46Å; F145-Q147 VanDerWaalsContact C-N 3.34Å; F145-Q147 PolarHBondContact O-N 2.83Å; F145-C148 WeakPolarHBondContact O-CB 3.36Å; F145-C148 PolarHBondContact O-N 3.5Å; F145-C149 PolarHBondContact O-N 3.12Å; F145-C149 PolarHBondContact O-SG 3.26Å
146	I	97.4	Very high	95.6	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-58.5	-49	173.7	-67.4	167.4	0	0	0	109.7	F54 T58 Y85 W89 F142 C148 C149 I150	F54-I146 HydrophobicContact CZ-CD1 4.33Å; T58-I146 HydrophobicContact CG2-CB 3.85Å; T58-I146 HydrophobicContact CG2-CG2 3.62Å; Y85-I146 HydrophobicContact CE1-CG2 4.49Å; W89-I146 HydrophobicContact CB-CD1 3.93Å; W89-I146 HydrophobicContact CB-CG1 3.95Å; W89-I146 HydrophobicContact CD2-CG1 4.01Å; W89-I146 HydrophobicContact CE3-CG1 4.35Å; W89-I146 HydrophobicContact CG-CD1 4.18Å; W89-I146 HydrophobicContact CG-CG1 3.83Å; F142-I146 HydrophobicContact CD1-CD1 4.43Å; F142-I146 HydrophobicContact CD2-CD1 4.24Å; F142-I146 HydrophobicContact CE1-CD1 3.82Å; F142-I146 HydrophobicContact CE2-CD1 3.61Å; F142-I146 HydrophobicContact CE2-CG1 4.12Å; F142-I146 HydrophobicContact CZ-CD1 3.36Å; F142-I146 HydrophobicContact CZ-CG1 4.36Å; F142-I146 WeakPolarHBondContact O-CG1 3.4Å; F142-I146 PolarHBondContact O-N 3.28Å; I146-C148 VanDerWaalsContact C-N 3.33Å; I146-C148 PolarHBondContact O-N 3.2Å; I146-C149 PolarHBondContact O-N 2.89Å; I146-I150 HydrophobicContact CG2-CD1 3.61Å; I146-I150 HydrophobicContact CG2-CG1 4.2Å; I146-I150 WeakPolarHBondContact O-CG1 3.33Å; I146-I150 PolarHBondContact O-N 3.43Å
147	Q	97.4	Very high	95.6	Very high	18 Å²	18	29.6 Å²	29.6	8%	0.084	15%	0.154	C	C	.	.	H	α-helix	trans	-61.4	-42	-179.3	-168.1	56.7	21.3	0	0	112.5	T58 S61 F132 D143 D144 F145 C149 I150 V151	T58-Q147 WeakPolarHBondContact OG1-CB 3.34Å; S61-Q147 PolarHBondContact OG-OE1 2.91Å; F132-Q147 HydrophobicContact CD1-CB 4.29Å; F132-Q147 HydrophobicContact CD1-CG 4.18Å; F132-Q147 HydrophobicContact CE1-CB 4.43Å; F132-Q147 HydrophobicContact CE1-CG 3.97Å; D143-Q147 PolarHBondContact O-N 3.36Å; D144-Q147 PolarHBondContact O-N 3.26Å; F145-Q147 VanDerWaalsContact C-N 3.34Å; F145-Q147 PolarHBondContact O-N 2.83Å; Q147-C149 VanDerWaalsContact C-N 3.32Å; Q147-C149 PolarHBondContact O-N 3.41Å; Q147-I150 PolarHBondContact O-N 2.94Å; Q147-V151 HydrophobicContact CG-CG2 4.4Å; Q147-V151 WeakPolarHBondContact O-CB 3.3Å; Q147-V151 WeakPolarHBondContact O-CG2 3.43Å; Q147-V151 PolarHBondContact O-N 2.98Å
148	C	97.4	Very high	95.7	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.007	14%	0.135	C	C	.	.	H	α-helix	trans	-54.8	-50.1	175.1	-177.4	0	0	0	0	110.8	F132 D144 F145 I146 V151 L152	F132-C148 HydrophobicContact CB-CB 4.2Å; F132-C148 HydrophobicContact CD1-CB 4.1Å; F132-C148 HydrophobicContact CD2-CB 3.62Å; F132-C148 VanDerWaalsContact CD2-SG 3.53Å; F132-C148 HydrophobicContact CE1-CB 4.43Å; F132-C148 HydrophobicContact CE2-CB 3.99Å; F132-C148 HydrophobicContact CG-CB 3.69Å; F132-C148 HydrophobicContact CZ-CB 4.39Å; D144-C148 WeakPolarHBondContact O-CB 3.42Å; D144-C148 PolarHBondContact O-N 3.12Å; F145-C148 WeakPolarHBondContact O-CB 3.36Å; F145-C148 PolarHBondContact O-N 3.5Å; I146-C148 VanDerWaalsContact C-N 3.33Å; I146-C148 PolarHBondContact O-N 3.2Å; C148-V151 PolarHBondContact O-N 3.05Å; C148-L152 WeakPolarHBondContact O-CB 3.38Å; C148-L152 PolarHBondContact O-N 3.37Å
149	C	96.8	Very high	95.7	Very high	5 Å²	5	26 Å²	26	3%	0.034	13%	0.127	C	C	.	.	H	α-helix	trans	-66.1	-41.9	-179.6	-64.1	0	0	0	0	112.6	W89 F145 I146 Q147 L152 Q153	W89-C149 HydrophobicContact CH2-CB 3.32Å; W89-C149 HydrophobicContact CZ2-CB 3.94Å; W89-C149 HydrophobicContact CZ3-CB 4.01Å; F145-C149 PolarHBondContact O-N 3.12Å; F145-C149 PolarHBondContact O-SG 3.26Å; I146-C149 PolarHBondContact O-N 2.89Å; Q147-C149 VanDerWaalsContact C-N 3.32Å; Q147-C149 PolarHBondContact O-N 3.41Å; C149-L152 PolarHBondContact O-N 3.01Å; C149-Q153 VanDerWaalsContact O-CB 3.24Å; C149-Q153 WeakPolarHBondContact O-CB 3.35Å; C149-Q153 PolarHBondContact O-N 3.41Å
150	I	94.8	Very high	95.6	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-59.8	-49.1	177.2	-69.3	173.3	0	0	0	110.8	M65 I146 Q147 Q153 R154	M65-I150 HydrophobicContact CE-CB 4.28Å; M65-I150 HydrophobicContact CE-CD1 3.68Å; M65-I150 HydrophobicContact CE-CG1 3.8Å; M65-I150 HydrophobicContact CE-CG2 3.5Å; M65-I150 VanDerWaalsContact CE-CG2 3.5Å; I146-I150 HydrophobicContact CG2-CD1 3.61Å; I146-I150 HydrophobicContact CG2-CG1 4.2Å; I146-I150 WeakPolarHBondContact O-CG1 3.33Å; I146-I150 PolarHBondContact O-N 3.43Å; Q147-I150 PolarHBondContact O-N 2.94Å; I150-Q153 PolarHBondContact O-N 3.11Å; I150-R154 WeakPolarHBondContact O-CG 3.26Å; I150-R154 PolarHBondContact O-N 3.41Å
151	V	94.7	Very high	95.4	Very high	42 Å²	42	36.5 Å²	36.5	26%	0.255	17%	0.165	S	C	.	.	H	α-helix	trans	-65.2	-46.2	-179.2	171.4	0	0	0	0	110.5	F132 Q147 C148 Q153 R154 L155	F132-V151 HydrophobicContact CE1-CB 4.3Å; F132-V151 HydrophobicContact CE1-CG2 4.1Å; F132-V151 HydrophobicContact CZ-CB 3.84Å; F132-V151 HydrophobicContact CZ-CG1 3.98Å; F132-V151 HydrophobicContact CZ-CG2 4.12Å; Q147-V151 HydrophobicContact CG-CG2 4.4Å; Q147-V151 WeakPolarHBondContact O-CB 3.3Å; Q147-V151 WeakPolarHBondContact O-CG2 3.43Å; Q147-V151 PolarHBondContact O-N 2.98Å; C148-V151 PolarHBondContact O-N 3.05Å; V151-Q153 VanDerWaalsContact C-N 3.31Å; V151-Q153 PolarHBondContact O-N 2.86Å; V151-R154 PolarHBondContact O-N 3.45Å; V151-L155 HydrophobicContact CG1-CD1 3.71Å; V151-L155 HydrophobicContact CG1-CG 4.35Å; V151-L155 WeakPolarHBondContact O-CB 3.34Å; V151-L155 WeakPolarHBondContact O-CG 3.33Å; V151-L155 PolarHBondContact O-N 3.32Å
152	L	95.6	Very high	95.3	Very high	14 Å²	14	40 Å²	40	7%	0.073	18%	0.178	C	C	.	.	H	α-helix	trans	-61.2	-41.4	179.1	-173.6	65.4	0	0	0	111.4	L113 Y118 L120 F124 C148 C149 T156	L113-L152 HydrophobicContact CD1-CD2 3.92Å; L113-L152 HydrophobicContact CD2-CD2 3.98Å; Y118-L152 HydrophobicContact CD1-CD2 3.91Å; Y118-L152 HydrophobicContact CD1-CG 4.21Å; Y118-L152 HydrophobicContact CD2-CD2 4.05Å; Y118-L152 HydrophobicContact CE1-CD1 4.45Å; Y118-L152 HydrophobicContact CE1-CD2 3.73Å; Y118-L152 HydrophobicContact CE1-CG 3.66Å; Y118-L152 HydrophobicContact CE2-CD2 3.88Å; Y118-L152 HydrophobicContact CE2-CG 4.45Å; Y118-L152 HydrophobicContact CG-CD2 4.07Å; L120-L152 HydrophobicContact CD1-CD2 4.22Å; F124-L152 HydrophobicContact CE1-CD1 4.41Å; C148-L152 WeakPolarHBondContact O-CB 3.38Å; C148-L152 PolarHBondContact O-N 3.37Å; C149-L152 PolarHBondContact O-N 3.01Å; L152-T156 VanDerWaalsContact O-CB 3.23Å; L152-T156 WeakPolarHBondContact O-CB 3.39Å; L152-T156 PolarHBondContact O-N 3.5Å; L152-T156 PolarHBondContact O-OG1 3.16Å
153	Q	92.8	Very high	95.2	Very high	53 Å²	53	40.3 Å²	40.3	25%	0.248	18%	0.18	C	C	.	.	H	α-helix	trans	-61.1	-52.8	175.4	-175.8	-178.3	3.1	0	0	111.4	Y118 C149 I150 V151 L155 T156 D157	Y118-Q153 WeakPolarHBondContact OH-CA 3.04Å; Y118-Q153 PolarHBondContact OH-N 2.94Å; C149-Q153 VanDerWaalsContact O-CB 3.24Å; C149-Q153 WeakPolarHBondContact O-CB 3.35Å; C149-Q153 PolarHBondContact O-N 3.41Å; I150-Q153 PolarHBondContact O-N 3.11Å; V151-Q153 VanDerWaalsContact C-N 3.31Å; V151-Q153 PolarHBondContact O-N 2.86Å; Q153-L155 PolarHBondContact O-N 3.02Å; Q153-T156 PolarHBondContact O-N 3.27Å; Q153-T156 VanDerWaalsContact O-N 3.15Å; Q153-D157 WeakPolarHBondContact O-CB 3.25Å; Q153-D157 PolarHBondContact O-N 3.3Å
154	R	91.6	Very high	95.1	Very high	95 Å²	95	46.3 Å²	46.3	36%	0.358	22%	0.217	S	C	.	.	H	α-helix	trans	-58.2	-46.6	-179.7	-72.2	179.3	-179.2	-170.7	1.8	112.1	I150 V151 T156 D157 V158	I150-R154 WeakPolarHBondContact O-CG 3.26Å; I150-R154 PolarHBondContact O-N 3.41Å; V151-R154 PolarHBondContact O-N 3.45Å; R154-T156 VanDerWaalsContact C-N 3.32Å; R154-T156 PolarHBondContact O-N 2.97Å; R154-D157 PolarHBondContact O-N 2.92Å; R154-V158 WeakPolarHBondContact O-CG2 3.48Å; R154-V158 PolarHBondContact O-N 3.02Å
155	L	94.1	Very high	95.1	Very high	87 Å²	87	51.5 Å²	51.5	46%	0.455	25%	0.245	S	C	.	.	H	α-helix	trans	-61.8	-41.4	177.3	-73.3	170.4	0	0	0	111.8	V151 Q153 V158 F159 V184	V151-L155 HydrophobicContact CG1-CD1 3.71Å; V151-L155 HydrophobicContact CG1-CG 4.35Å; V151-L155 WeakPolarHBondContact O-CB 3.34Å; V151-L155 WeakPolarHBondContact O-CG 3.33Å; V151-L155 PolarHBondContact O-N 3.32Å; Q153-L155 PolarHBondContact O-N 3.02Å; L155-V158 PolarHBondContact O-N 3.09Å; L155-F159 WeakPolarHBondContact O-CB 3.39Å; L155-F159 PolarHBondContact O-N 3.02Å; L155-V184 HydrophobicContact CD2-CB 4.44Å; L155-V184 HydrophobicContact CD2-CG1 3.73Å; L155-V184 HydrophobicContact CD2-CG2 4.22Å; L155-V184 HydrophobicContact CG-CG1 4.18Å
156	T	94.5	Very high	94.9	Very high	27 Å²	27	55.8 Å²	55.8	17%	0.166	27%	0.265	C	S	.	.	H	α-helix	trans	-67.9	-41.1	178.8	-59.2	0	0	0	0	111.8	Y118 L152 Q153 R154 V158 F159 R160	Y118-T156 HydrophobicContact CE1-CG2 4.21Å; Y118-T156 WeakPolarHBondContact CE1-OG1 3.48Å; L152-T156 VanDerWaalsContact O-CB 3.23Å; L152-T156 WeakPolarHBondContact O-CB 3.39Å; L152-T156 PolarHBondContact O-N 3.5Å; L152-T156 PolarHBondContact O-OG1 3.16Å; Q153-T156 PolarHBondContact O-N 3.27Å; Q153-T156 VanDerWaalsContact O-N 3.15Å; R154-T156 VanDerWaalsContact C-N 3.32Å; R154-T156 PolarHBondContact O-N 2.97Å; T156-V158 VanDerWaalsContact C-N 3.31Å; T156-V158 PolarHBondContact O-N 3.23Å; T156-F159 PolarHBondContact O-N 2.86Å; T156-R160 HydrophobicContact CG2-CG 4.48Å; T156-R160 VanDerWaalsContact CG2-CZ 3.46Å; T156-R160 WeakPolarHBondContact O-CB 3.46Å; T156-R160 WeakPolarHBondContact O-CG 3.35Å; T156-R160 PolarHBondContact O-N 3.08Å
157	D	92.8	Very high	94.9	Very high	55 Å²	55	60 Å²	60	29%	0.294	29%	0.287	S	S	.	.	H	α-helix	trans	-64.9	-38.2	178.2	-73.5	-16.7	0	0	0	111.3	Q153 R154 R160 R161	Q153-D157 WeakPolarHBondContact O-CB 3.25Å; Q153-D157 PolarHBondContact O-N 3.3Å; R154-D157 PolarHBondContact O-N 2.92Å; D157-R160 IonicContact OD1-NH1 2.76Å; D157-R161 WeakPolarHBondContact O-CG 3.43Å; D157-R161 PolarHBondContact O-N 2.7Å
158	V	93.6	Very high	94.8	Very high	16 Å²	16	61.2 Å²	61.2	10%	0.097	31%	0.305	C	S	.	.	H	α-helix	trans	-67.1	-50.2	173.1	171.4	0	0	0	0	110.5	R154 L155 T156 R160 R161 Y162 M180 V184	R154-V158 WeakPolarHBondContact O-CG2 3.48Å; R154-V158 PolarHBondContact O-N 3.02Å; L155-V158 PolarHBondContact O-N 3.09Å; T156-V158 VanDerWaalsContact C-N 3.31Å; T156-V158 PolarHBondContact O-N 3.23Å; V158-R160 VanDerWaalsContact C-N 3.3Å; V158-R160 PolarHBondContact O-N 2.82Å; V158-R161 WeakPolarHBondContact O-CB 3.32Å; V158-R161 PolarHBondContact O-N 3.16Å; V158-Y162 HydrophobicContact CG1-CD2 4.47Å; V158-Y162 HydrophobicContact CG1-CE2 4.24Å; V158-Y162 WeakPolarHBondContact O-CD2 3.32Å; V158-M180 HydrophobicContact CG1-CB 4.44Å; V158-M180 HydrophobicContact CG1-CG 3.21Å; V158-M180 HydrophobicContact CG1-SD 4.11Å; V158-V184 HydrophobicContact CB-CG2 4.04Å; V158-V184 HydrophobicContact CG1-CG2 4.21Å; V158-V184 HydrophobicContact CG2-CG2 3.61Å
159	F	95.1	Very high	94.8	Very high	67 Å²	67	70.6 Å²	70.6	29%	0.294	34%	0.34	S	S	.	.	H	α-helix	trans	-52.3	-47.6	177.7	-176.9	-87.7	0	0	0	112.2	L155 T156 R161 Y162 D163 G168 I170	L155-F159 WeakPolarHBondContact O-CB 3.39Å; L155-F159 PolarHBondContact O-N 3.02Å; T156-F159 PolarHBondContact O-N 2.86Å; F159-R161 PolarHBondContact O-N 2.85Å; F159-Y162 PolarHBondContact O-N 2.83Å; F159-D163 HydrophobicContact CD1-CB 4.1Å; F159-D163 HydrophobicContact CE1-CB 3.76Å; F159-D163 HydrophobicContact CZ-CB 4.47Å; F159-D163 PolarHBondContact O-N 3.05Å; F159-G168 WeakPolarHBondContact CZ-O 3.13Å; F159-I170 HydrophobicContact CD2-CD1 4.01Å; F159-I170 HydrophobicContact CD2-CG1 4.33Å; F159-I170 HydrophobicContact CD2-CG2 4.19Å; F159-I170 HydrophobicContact CE1-CG2 4.36Å; F159-I170 HydrophobicContact CE2-CB 4.41Å; F159-I170 HydrophobicContact CE2-CD1 4.02Å; F159-I170 HydrophobicContact CE2-CG1 3.84Å; F159-I170 HydrophobicContact CE2-CG2 3.82Å; F159-I170 HydrophobicContact CZ-CG2 3.9Å
160	R	92.8	Very high	94.8	Very high	82 Å²	82	72.9 Å²	72.9	31%	0.309	35%	0.352	S	S	.	.	H	α-helix	trans	-62.1	-25.1	179.7	-77.5	-176.6	-175.7	139.1	10.7	115	P6 T156 D157 V158 Y162	P6-R160 VanDerWaalsContact CG-NH2 3.33Å; T156-R160 HydrophobicContact CG2-CG 4.48Å; T156-R160 VanDerWaalsContact CG2-CZ 3.46Å; T156-R160 WeakPolarHBondContact O-CB 3.46Å; T156-R160 WeakPolarHBondContact O-CG 3.35Å; T156-R160 PolarHBondContact O-N 3.08Å; D157-R160 IonicContact OD1-NH1 2.76Å; V158-R160 VanDerWaalsContact C-N 3.3Å; V158-R160 PolarHBondContact O-N 2.82Å; R160-Y162 VanDerWaalsContact C-N 3.25Å
161	R	93.4	Very high	94.9	Very high	190 Å²	190	82.1 Å²	82.1	72%	0.717	40%	0.395	S	S	*	.	H	α-helix	trans	-71.7	-25.5	175.5	-69.8	171.6	-170.4	-171.9	3.3	111.9	D157 V158 F159	D157-R161 WeakPolarHBondContact O-CG 3.43Å; D157-R161 PolarHBondContact O-N 2.7Å; V158-R161 WeakPolarHBondContact O-CB 3.32Å; V158-R161 PolarHBondContact O-N 3.16Å; F159-R161 PolarHBondContact O-N 2.85Å
162	Y	94.9	Very high	95	Very high	74 Å²	74	82.2 Å²	82.2	29%	0.29	40%	0.396	S	S	.	.	H	α-helix	trans	-97.7	-26.7	179.6	-70.6	-96.1	0	0	0	112.5	V158 F159 R160 T164 V172 M180	V158-Y162 HydrophobicContact CG1-CD2 4.47Å; V158-Y162 HydrophobicContact CG1-CE2 4.24Å; V158-Y162 WeakPolarHBondContact O-CD2 3.32Å; F159-Y162 PolarHBondContact O-N 2.83Å; R160-Y162 VanDerWaalsContact C-N 3.25Å; Y162-T164 VanDerWaalsContact C-N 3.3Å; Y162-T164 PolarHBondContact O-N 2.91Å; Y162-V172 HydrophobicContact CD1-CG1 3.83Å; Y162-V172 HydrophobicContact CE1-CG1 4.39Å; Y162-M180 HydrophobicContact CD1-CE 3.71Å; Y162-M180 HydrophobicContact CD2-CE 3.45Å; Y162-M180 VanDerWaalsContact CD2-CE 3.45Å; Y162-M180 HydrophobicContact CD2-CG 4.32Å; Y162-M180 HydrophobicContact CD2-SD 4.4Å; Y162-M180 HydrophobicContact CE1-CE 3.98Å; Y162-M180 HydrophobicContact CE2-CB 4.29Å; Y162-M180 HydrophobicContact CE2-CE 3.76Å; Y162-M180 HydrophobicContact CE2-CG 3.95Å; Y162-M180 HydrophobicContact CG-CE 3.43Å; Y162-M180 VanDerWaalsContact CG-CE 3.43Å
163	D	96.7	Very high	95.1	Very high	18 Å²	18	84.4 Å²	84.4	10%	0.096	41%	0.412	C	S	.	.			trans	-78.7	75.4	172	-179.1	7.1	0	0	0	110.7	F159 Q166 D167 G168 I170	F159-D163 HydrophobicContact CD1-CB 4.1Å; F159-D163 HydrophobicContact CE1-CB 3.76Å; F159-D163 HydrophobicContact CZ-CB 4.47Å; F159-D163 PolarHBondContact O-N 3.05Å; D163-Q166 WeakPolarHBondContact OD1-CA 3.38Å; D163-Q166 PolarHBondContact OD1-N 2.95Å; D163-D167 PolarHBondContact OD1-N 2.79Å; D163-G168 WeakPolarHBondContact OD2-CA 3.47Å; D163-G168 PolarHBondContact OD2-N 2.86Å; D163-G168 VanDerWaalsContact OD2-N 3.15Å; D163-I170 HydrophobicContact CB-CG2 3.91Å
164	T	95.4	Very high	95.4	Very high	126 Å²	126	89.9 Å²	89.9	77%	0.773	43%	0.432	S	S	*	.	S	Bend	trans	-74.9	-22	-171.5	54.9	0	0	0	0	115	Y162	Y162-T164 VanDerWaalsContact C-N 3.3Å; Y162-T164 PolarHBondContact O-N 2.91Å
165	D	96.5	Very high	95.6	Very high	110 Å²	110	92.5 Å²	92.5	59%	0.588	45%	0.448	S	S	*	.	S	Bend	trans	-103.2	-3	177.8	56	-15.3	0	0	0	113.3	D167	D165-D167 VanDerWaalsContact C-N 3.31Å; D165-D167 PolarHBondContact O-N 3.24Å
166	Q	95.2	Very high	95.7	Very high	90 Å²	90	92.8 Å²	92.8	42%	0.421	45%	0.447	S	S	.	.			trans	62.2	36.2	175.2	-51.4	-175.3	-16.7	0	0	113	Y3 D163	Y3-Q166 HydrophobicContact CD2-CB 4.16Å; D163-Q166 WeakPolarHBondContact OD1-CA 3.38Å; D163-Q166 PolarHBondContact OD1-N 2.95Å
167	D	96.8	Very high	95.7	Very high	87 Å²	87	97.4 Å²	97.4	47%	0.465	46%	0.462	S	S	.	.	S	Bend	trans	-92.6	-8	-179.9	84.3	-18.4	0	0	0	112.6	D163 D165 W169	D163-D167 PolarHBondContact OD1-N 2.79Å; D165-D167 VanDerWaalsContact C-N 3.31Å; D165-D167 PolarHBondContact O-N 3.24Å; D167-W169 WeakPolarHBondContact OD1-CA 3.38Å; D167-W169 WeakPolarHBondContact OD1-CB 3.15Å; D167-W169 PolarHBondContact OD1-N 3.33Å
168	G	95.9	Very high	95.8	Very high	44 Å²	44	97.1 Å²	97.1	45%	0.454	46%	0.46	S	S	.	.	S	Bend	trans	85.2	14	-178.3	0	0	0	0	0	114	F159 D163	F159-G168 WeakPolarHBondContact CZ-O 3.13Å; D163-G168 WeakPolarHBondContact OD2-CA 3.47Å; D163-G168 PolarHBondContact OD2-N 2.86Å; D163-G168 VanDerWaalsContact OD2-N 3.15Å
169	W	96.9	Very high	95.8	Very high	198 Å²	198	99.1 Å²	99.1	75%	0.75	48%	0.475	S	S	*	.			trans	-126.4	153.5	176	-61.9	86	0	0	0	110.8	D167	D167-W169 WeakPolarHBondContact OD1-CA 3.38Å; D167-W169 WeakPolarHBondContact OD1-CB 3.15Å; D167-W169 PolarHBondContact OD1-N 3.33Å
170	I	97	Very high	95.6	Very high	54 Å²	54	97 Å²	97	28%	0.277	47%	0.466	S	S	.	.			trans	-131.5	139.1	171.8	59	170.7	0	0	0	108.9	F159 D163 V172 M180	F159-I170 HydrophobicContact CD2-CD1 4.01Å; F159-I170 HydrophobicContact CD2-CG1 4.33Å; F159-I170 HydrophobicContact CD2-CG2 4.19Å; F159-I170 HydrophobicContact CE1-CG2 4.36Å; F159-I170 HydrophobicContact CE2-CB 4.41Å; F159-I170 HydrophobicContact CE2-CD1 4.02Å; F159-I170 HydrophobicContact CE2-CG1 3.84Å; F159-I170 HydrophobicContact CE2-CG2 3.82Å; F159-I170 HydrophobicContact CZ-CG2 3.9Å; D163-I170 HydrophobicContact CB-CG2 3.91Å; I170-V172 HydrophobicContact CD1-CG1 4.41Å; I170-M180 HydrophobicContact CD1-CE 3.46Å; I170-M180 VanDerWaalsContact CD1-CE 3.46Å; I170-M180 HydrophobicContact CD1-SD 3.91Å
171	Q	97.1	Very high	95.5	Very high	196 Å²	196	95.5 Å²	95.5	92%	0.916	47%	0.466	S	S	*	.			trans	-113	115.8	168.2	-172.2	176.3	5.2	0	0	108.2
172	V	96.8	Very high	95.3	Very high	44 Å²	44	93.6 Å²	93.6	27%	0.267	46%	0.464	S	S	.	.			trans	-131.3	144.3	-177	-67.2	0	0	0	0	110.9	Y162 I170 Q176 M180	Y162-V172 HydrophobicContact CD1-CG1 3.83Å; Y162-V172 HydrophobicContact CE1-CG1 4.39Å; I170-V172 HydrophobicContact CD1-CG1 4.41Å; V172-Q176 HydrophobicContact CB-CB 3.88Å; V172-Q176 HydrophobicContact CG1-CB 4.3Å; V172-M180 HydrophobicContact CG1-CE 3.82Å
173	S	98.1	Very high	94.6	Very high	60 Å²	60	95.8 Å²	95.8	42%	0.42	48%	0.48	S	S	.	.			trans	-70	167.6	167.7	78.4	0	0	0	0	110.9	E175 Q176 Y177	S173-E175 VanDerWaalsContact C-N 3.34Å; S173-E175 PolarHBondContact O-N 3.26Å; S173-Q176 PolarHBondContact O-N 3.07Å; S173-Q176 WeakPolarHBondContact OG-CG 3.37Å; S173-Q176 PolarHBondContact OG-N 3.33Å; S173-Q176 PolarHBondContact OG-OE1 2.85Å; S173-Y177 PolarHBondContact O-N 3.25Å
174	Y	97.3	Very high	93.6	Very high	168 Å²	168	96.4 Å²	96.4	66%	0.659	48%	0.484	S	S	*	.	H	α-helix	trans	-56.3	-45.5	177	176.4	-111.9	0	0	0	112.8	Q176 Y177 L178	Y174-Q176 PolarHBondContact O-N 3.45Å; Y174-Y177 WeakPolarHBondContact O-CB 3.47Å; Y174-Y177 PolarHBondContact O-N 3.3Å; Y174-L178 HydrophobicContact CD1-CD1 4.17Å; Y174-L178 HydrophobicContact CE1-CD1 3.53Å; Y174-L178 HydrophobicContact CE1-CG 4.23Å; Y174-L178 HydrophobicContact CE2-CD1 4.28Å; Y174-L178 HydrophobicContact CE2-CD2 4.18Å; Y174-L178 HydrophobicContact CE2-CG 4.16Å; Y174-L178 WeakPolarHBondContact O-CG 3.42Å; Y174-L178 PolarHBondContact O-N 2.96Å
175	E	97.3	Very high	91.9	Very high	149 Å²	149	98.3 Å²	98.3	70%	0.696	50%	0.496	S	S	*	.	H	α-helix	trans	-68.3	-35	179.4	-66.7	-175.3	178.3	0	0	112.6	S173 L178 S179	S173-E175 VanDerWaalsContact C-N 3.34Å; S173-E175 PolarHBondContact O-N 3.26Å; E175-L178 PolarHBondContact O-N 3.02Å; E175-S179 WeakPolarHBondContact O-CB 3.46Å; E175-S179 PolarHBondContact O-N 3.01Å; E175-S179 PolarHBondContact O-OG 2.99Å
176	Q	95.3	Very high	91.7	Very high	93 Å²	93	97.7 Å²	97.7	44%	0.435	49%	0.491	S	S	.	.	H	α-helix	trans	-66.3	-40.5	173.9	-73.2	172.5	-27.6	0	0	111.2	V172 S173 Y174 S179 M180	V172-Q176 HydrophobicContact CB-CB 3.88Å; V172-Q176 HydrophobicContact CG1-CB 4.3Å; S173-Q176 PolarHBondContact O-N 3.07Å; S173-Q176 WeakPolarHBondContact OG-CG 3.37Å; S173-Q176 PolarHBondContact OG-N 3.33Å; S173-Q176 PolarHBondContact OG-OE1 2.85Å; Y174-Q176 PolarHBondContact O-N 3.45Å; Q176-S179 PolarHBondContact O-N 2.77Å; Q176-M180 WeakPolarHBondContact O-CB 3.35Å; Q176-M180 PolarHBondContact O-N 2.8Å
177	Y	95.4	Very high	91.5	Very high	124 Å²	124	98.1 Å²	98.1	49%	0.486	50%	0.495	S	S	.	.	H	α-helix	trans	-60.6	-48.8	172.8	166.9	-99.2	0	0	0	111.6	S173 Y174 S179 M180 V181	S173-Y177 PolarHBondContact O-N 3.25Å; Y174-Y177 WeakPolarHBondContact O-CB 3.47Å; Y174-Y177 PolarHBondContact O-N 3.3Å; Y177-S179 VanDerWaalsContact C-N 3.32Å; Y177-S179 PolarHBondContact O-N 3.31Å; Y177-M180 WeakPolarHBondContact O-CB 3.48Å; Y177-M180 PolarHBondContact O-N 3.31Å; Y177-M180 VanDerWaalsContact O-N 3.14Å; Y177-V181 HydrophobicContact CD2-CG2 4.24Å; Y177-V181 HydrophobicContact CE1-CG2 4.21Å; Y177-V181 HydrophobicContact CE2-CG2 3.71Å; Y177-V181 WeakPolarHBondContact O-CG2 3.2Å; Y177-V181 PolarHBondContact O-N 3.3Å
178	L	95.2	Very high	91.2	Very high	49 Å²	49	98.7 Å²	98.7	26%	0.257	50%	0.496	S	S	.	.	H	α-helix	trans	-58.9	-45.3	177.3	-68.7	-177.3	0	0	0	111.7	Y174 E175 M180 V181 F182	Y174-L178 HydrophobicContact CD1-CD1 4.17Å; Y174-L178 HydrophobicContact CE1-CD1 3.53Å; Y174-L178 HydrophobicContact CE1-CG 4.23Å; Y174-L178 HydrophobicContact CE2-CD1 4.28Å; Y174-L178 HydrophobicContact CE2-CD2 4.18Å; Y174-L178 HydrophobicContact CE2-CG 4.16Å; Y174-L178 WeakPolarHBondContact O-CG 3.42Å; Y174-L178 PolarHBondContact O-N 2.96Å; E175-L178 PolarHBondContact O-N 3.02Å; L178-M180 VanDerWaalsContact C-N 3.29Å; L178-M180 PolarHBondContact O-N 3.4Å; L178-V181 PolarHBondContact O-N 2.9Å; L178-F182 HydrophobicContact CB-CE2 4.41Å; L178-F182 WeakPolarHBondContact O-CD2 3.48Å; L178-F182 VanDerWaalsContact O-CG 3.31Å; L178-F182 WeakPolarHBondContact O-CG 3.31Å; L178-F182 PolarHBondContact O-N 3.4Å
179	S	92.9	Very high	91	Very high	59 Å²	59	101.9 Å²	101.9	41%	0.413	50%	0.499	S	S	.	.	H	α-helix	trans	-61.4	-38.1	176.8	-57.2	0	0	0	0	112.1	E175 Q176 Y177 N183	E175-S179 WeakPolarHBondContact O-CB 3.46Å; E175-S179 PolarHBondContact O-N 3.01Å; E175-S179 PolarHBondContact O-OG 2.99Å; Q176-S179 PolarHBondContact O-N 2.77Å; Y177-S179 VanDerWaalsContact C-N 3.32Å; Y177-S179 PolarHBondContact O-N 3.31Å; S179-N183 VanDerWaalsContact O-CG 3.32Å; S179-N183 PolarHBondContact O-N 2.77Å; S179-N183 PolarHBondContact O-ND2 3.45Å
180	M	91.7	Very high	90.6	Very high	22 Å²	22	95.9 Å²	95.9	11%	0.108	48%	0.483	C	S	.	.	H	α-helix	trans	-62.4	-46.4	176.5	-170.2	-173.9	-61.4	0	0	111.4	V158 Y162 I170 V172 Q176 Y177 L178 N183	V158-M180 HydrophobicContact CG1-CB 4.44Å; V158-M180 HydrophobicContact CG1-CG 3.21Å; V158-M180 HydrophobicContact CG1-SD 4.11Å; Y162-M180 HydrophobicContact CD1-CE 3.71Å; Y162-M180 HydrophobicContact CD2-CE 3.45Å; Y162-M180 VanDerWaalsContact CD2-CE 3.45Å; Y162-M180 HydrophobicContact CD2-CG 4.32Å; Y162-M180 HydrophobicContact CD2-SD 4.4Å; Y162-M180 HydrophobicContact CE1-CE 3.98Å; Y162-M180 HydrophobicContact CE2-CB 4.29Å; Y162-M180 HydrophobicContact CE2-CE 3.76Å; Y162-M180 HydrophobicContact CE2-CG 3.95Å; Y162-M180 HydrophobicContact CG-CE 3.43Å; Y162-M180 VanDerWaalsContact CG-CE 3.43Å; I170-M180 HydrophobicContact CD1-CE 3.46Å; I170-M180 VanDerWaalsContact CD1-CE 3.46Å; I170-M180 HydrophobicContact CD1-SD 3.91Å; V172-M180 HydrophobicContact CG1-CE 3.82Å; Q176-M180 WeakPolarHBondContact O-CB 3.35Å; Q176-M180 PolarHBondContact O-N 2.8Å; Y177-M180 WeakPolarHBondContact O-CB 3.48Å; Y177-M180 PolarHBondContact O-N 3.31Å; Y177-M180 VanDerWaalsContact O-N 3.14Å; L178-M180 VanDerWaalsContact C-N 3.29Å; L178-M180 PolarHBondContact O-N 3.4Å; M180-N183 PolarHBondContact O-N 3.13Å
181	V	90.6	Very high	90.2	Very high	51 Å²	51	98.7 Å²	98.7	31%	0.309	50%	0.497	S	S	.	.	H	α-helix	trans	-67	-43.9	-179.5	174.9	0	0	0	0	111.1	Y177 L178 N183 V184 V185	Y177-V181 HydrophobicContact CD2-CG2 4.24Å; Y177-V181 HydrophobicContact CE1-CG2 4.21Å; Y177-V181 HydrophobicContact CE2-CG2 3.71Å; Y177-V181 WeakPolarHBondContact O-CG2 3.2Å; Y177-V181 PolarHBondContact O-N 3.3Å; L178-V181 PolarHBondContact O-N 2.9Å; V181-N183 PolarHBondContact O-N 2.88Å; V181-V184 PolarHBondContact O-N 2.9Å; V181-V185 HydrophobicContact CG1-CG2 3.92Å; V181-V185 WeakPolarHBondContact O-CG2 3.04Å; V181-V185 PolarHBondContact O-N 3.22Å
182	F	88.9	Confident	89.7	Confident	150 Å²	150	91.8 Å²	91.8	66%	0.658	47%	0.467	S	S	*	.	H	α-helix	trans	-64.7	-21.9	179.2	-66	-21.9	0	0	0	114.2	L178 V184	L178-F182 HydrophobicContact CB-CE2 4.41Å; L178-F182 WeakPolarHBondContact O-CD2 3.48Å; L178-F182 VanDerWaalsContact O-CG 3.31Å; L178-F182 WeakPolarHBondContact O-CG 3.31Å; L178-F182 PolarHBondContact O-N 3.4Å; F182-V184 VanDerWaalsContact C-N 3.28Å
183	N	79.1	Confident	89.1	Confident	119 Å²	119	95.5 Å²	95.5	64%	0.636	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-9.2	175.2	-74.6	-37.9	0	0	0	113.6	S179 M180 V181	S179-N183 VanDerWaalsContact O-CG 3.32Å; S179-N183 PolarHBondContact O-N 2.77Å; S179-N183 PolarHBondContact O-ND2 3.45Å; M180-N183 PolarHBondContact O-N 3.13Å; V181-N183 PolarHBondContact O-N 2.88Å
184	V	77	Confident	88.4	Confident	31 Å²	31	98.4 Å²	98.4	19%	0.188	49%	0.488	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-38.3	-179.7	-179.7	0	0	0	0	112.2	L155 V158 V181 F182	L155-V184 HydrophobicContact CD2-CB 4.44Å; L155-V184 HydrophobicContact CD2-CG1 3.73Å; L155-V184 HydrophobicContact CD2-CG2 4.22Å; L155-V184 HydrophobicContact CG-CG1 4.18Å; V158-V184 HydrophobicContact CB-CG2 4.04Å; V158-V184 HydrophobicContact CG1-CG2 4.21Å; V158-V184 HydrophobicContact CG2-CG2 3.61Å; V181-V184 PolarHBondContact O-N 2.9Å; F182-V184 VanDerWaalsContact C-N 3.28Å
185	V	60.1	Low	87.6	Confident	166 Å²	166	92.1 Å²	92.1	100%	1.006	47%	0.472	S	S	*	.			trans	-83.6	0	-173.1	-174.2	0	0	0	0	111.6	V181	V181-V185 HydrophobicContact CG1-CG2 3.92Å; V181-V185 WeakPolarHBondContact O-CG2 3.04Å; V181-V185 PolarHBondContact O-N 3.22Å

Retrieved 185 of 185 residues in 299.4 ms (Link to these results)

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