A0A077ZBN6_TRITR Loading...

Protein BUD31 homolog

AlphaFold DB , UniProt , Accession A0A077ZBN6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 158 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.3	Very low	63	Low	202 Å²	202	138.7 Å²	138.7	100%	0.995	65%	0.645	S	S	*	*				0	105.9	0	-76.4	159.6	165.6	0	0	108.2	R3	M1-R3 HydrophobicContact CB-CG 4.21Å; M1-R3 PolarHBondContact O-N 3.29Å
2	N	48.4	Very low	64.8	Low	154 Å²	154	129.5 Å²	129.5	82%	0.824	62%	0.615	S	S	*	*			trans	-79.3	77.5	155.8	-89.4	-6.8	0	0	0	104.8	I4	N2-I4 PolarHBondContact O-N 3.13Å; N2-I4 VanDerWaalsContact O-N 3.09Å
3	R	53.8	Low	66.5	Low	202 Å²	202	120.4 Å²	120.4	76%	0.762	57%	0.571	S	S	*	*			trans	-48.3	123	166.8	-79.9	178.5	177.5	176.4	-3.1	105.4	M1 R5	M1-R3 HydrophobicContact CB-CG 4.21Å; M1-R3 PolarHBondContact O-N 3.29Å; R3-R5 PolarHBondContact O-N 3.45Å
4	I	56.7	Low	68	Low	55 Å²	55	121 Å²	121	28%	0.282	58%	0.58	S	S	.	*			trans	-31.2	116.4	171.6	-69.3	156.7	0	0	0	106.9	N2 A6 W13 F91	N2-I4 PolarHBondContact O-N 3.13Å; N2-I4 VanDerWaalsContact O-N 3.09Å; I4-A6 HydrophobicContact CG2-CB 4.05Å; I4-A6 PolarHBondContact O-N 2.83Å; I4-W13 HydrophobicContact CD1-CH2 3.56Å; I4-W13 HydrophobicContact CD1-CZ2 3.2Å; I4-F91 HydrophobicContact CG2-CE1 4Å; I4-F91 HydrophobicContact CG2-CZ 3.69Å
5	R	53.4	Low	69.2	Low	227 Å²	227	121.9 Å²	121.9	86%	0.857	59%	0.588	S	S	*	*	S	Bend	trans	-61.8	-11.5	-169.3	-78	-179.3	171.3	-176.5	-4.2	112.1	R3 R7 N95	R3-R5 PolarHBondContact O-N 3.45Å; R5-R7 PolarHBondContact O-N 2.92Å; R5-N95 PolarHBondContact N-OD1 3.23Å
6	A	54.8	Low	70.4	Confident	33 Å²	33	114.6 Å²	114.6	27%	0.273	55%	0.553	S	S	.	*			trans	-83.8	112.3	179.7	0	0	0	0	0	111.5	I4 N8 F91	I4-A6 HydrophobicContact CG2-CB 4.05Å; I4-A6 PolarHBondContact O-N 2.83Å; A6-N8 PolarHBondContact O-N 3Å; A6-F91 HydrophobicContact CB-CD2 4.34Å; A6-F91 HydrophobicContact CB-CE2 3.11Å; A6-F91 HydrophobicContact CB-CZ 3.33Å
7	R	60.7	Low	71.4	Confident	243 Å²	243	111.7 Å²	111.7	92%	0.917	54%	0.538	S	S	*	.	S	Bend	trans	-61.2	-15.2	165.3	-74.9	176.4	169	177.6	-5.1	113.1	R5	R5-R7 PolarHBondContact O-N 2.92Å
8	N	74.1	Confident	72.4	Confident	135 Å²	135	108.7 Å²	108.7	72%	0.722	54%	0.535	S	S	*	.	S	Bend	trans	-133.8	97.2	-177.9	-62.2	-20.6	0	0	0	110.6	A6	A6-N8 PolarHBondContact O-N 3Å
9	P	78.1	Confident	73.4	Confident	67 Å²	67	104.6 Å²	104.6	44%	0.435	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-68.7	142.3	171.5	26.5	-31	0	0	0	111.1	W13	P9-W13 HydrophobicContact CB-CB 3.62Å; P9-W13 HydrophobicContact CB-CD2 4.11Å; P9-W13 HydrophobicContact CB-CG 3.45Å; P9-W13 VanDerWaalsContact CB-CG 3.45Å; P9-W13 HydrophobicContact CG-CG 4.33Å
10	P	85.2	Confident	74.2	Confident	31 Å²	31	99.6 Å²	99.6	20%	0.201	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-67.1	168.5	174.2	-19	31.6	0	0	0	113.2	G12 W13 L88 F91	P10-G12 PolarHBondContact O-N 3.03Å; P10-W13 WeakPolarHBondContact O-CB 3.45Å; P10-W13 PolarHBondContact O-N 3.26Å; P10-L88 HydrophobicContact CB-CB 4.44Å; P10-L88 HydrophobicContact CB-CD1 4.13Å; P10-L88 HydrophobicContact CG-CD1 4.23Å; P10-F91 HydrophobicContact CG-CB 3.78Å; P10-F91 HydrophobicContact CG-CD1 4.38Å; P10-F91 HydrophobicContact CG-CD2 3.77Å; P10-F91 HydrophobicContact CG-CE2 4.32Å; P10-F91 HydrophobicContact CG-CG 3.75Å
11	E	85.1	Confident	75	Confident	177 Å²	177	100 Å²	100	83%	0.827	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	135.5	176	-168.4	179.1	-173.2	0	0	111.8
12	G	85.1	Confident	77.4	Confident	28 Å²	28	95.5 Å²	95.5	29%	0.289	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	-1.8	-179.2	0	0	0	0	0	115.4	P10 N14 L15	P10-G12 PolarHBondContact O-N 3.03Å; G12-N14 VanDerWaalsContact C-N 3.27Å; G12-N14 PolarHBondContact O-N 3.36Å; G12-L15 WeakPolarHBondContact O-CB 3.25Å; G12-L15 PolarHBondContact O-N 3.43Å; G12-L15 VanDerWaalsContact O-N 3.13Å
13	W	87.1	Confident	79.5	Confident	11 Å²	11	89.4 Å²	89.4	4%	0.042	44%	0.437	C	S	.	.	H	α-helix	trans	-54.4	-41.4	176.7	176.7	-100.8	0	0	0	113.2	I4 P9 P10 L15 I16 E17 L20 L88 F91 L97	I4-W13 HydrophobicContact CD1-CH2 3.56Å; I4-W13 HydrophobicContact CD1-CZ2 3.2Å; P9-W13 HydrophobicContact CB-CB 3.62Å; P9-W13 HydrophobicContact CB-CD2 4.11Å; P9-W13 HydrophobicContact CB-CG 3.45Å; P9-W13 VanDerWaalsContact CB-CG 3.45Å; P9-W13 HydrophobicContact CG-CG 4.33Å; P10-W13 WeakPolarHBondContact O-CB 3.45Å; P10-W13 PolarHBondContact O-N 3.26Å; W13-L15 PolarHBondContact O-N 3.15Å; W13-I16 HydrophobicContact CE3-CD1 3.87Å; W13-I16 HydrophobicContact CE3-CG1 4.12Å; W13-I16 HydrophobicContact CZ3-CD1 3.96Å; W13-I16 HydrophobicContact CZ3-CG1 4.37Å; W13-I16 VanDerWaalsContact O-CG1 3.25Å; W13-I16 WeakPolarHBondContact O-CG1 3.43Å; W13-I16 PolarHBondContact O-N 3.3Å; W13-E17 HydrophobicContact CZ2-CB 4.32Å; W13-E17 HydrophobicContact CZ2-CG 4.26Å; W13-E17 PolarHBondContact NE1-OE1 3.04Å; W13-E17 WeakPolarHBondContact O-CB 3.37Å; W13-E17 PolarHBondContact O-N 3.23Å; W13-L20 HydrophobicContact CH2-CD1 3.58Å; W13-L20 HydrophobicContact CZ2-CD1 4.48Å; W13-L20 HydrophobicContact CZ3-CD1 3.8Å; W13-L88 HydrophobicContact CB-CD1 4.02Å; W13-L88 HydrophobicContact CE3-CD1 3.84Å; W13-F91 HydrophobicContact CD2-CE1 4.48Å; W13-F91 HydrophobicContact CE3-CD1 4.13Å; W13-F91 AromaticContact CE3-CE1 3.8Å; W13-F91 HydrophobicContact CE3-CE1 3.8Å; W13-F91 HydrophobicContact CH2-CE1 4.48Å; W13-F91 HydrophobicContact CZ3-CD1 4.12Å; W13-F91 AromaticContact CZ3-CE1 3.8Å; W13-F91 HydrophobicContact CZ3-CE1 3.8Å; W13-L97 HydrophobicContact CH2-CD1 3.57Å; W13-L97 HydrophobicContact CZ3-CD1 3.78Å
14	N	87	Confident	81.2	Confident	129 Å²	129	82.3 Å²	82.3	69%	0.69	41%	0.412	S	S	*	.	H	α-helix	trans	-55.7	-27.1	179.9	-57.4	-19.6	0	0	0	113.4	G12	G12-N14 VanDerWaalsContact C-N 3.27Å; G12-N14 PolarHBondContact O-N 3.36Å
15	L	85.7	Confident	82.8	Confident	135 Å²	135	84.5 Å²	84.5	71%	0.707	42%	0.421	S	S	*	.	H	α-helix	trans	-76.2	-28.2	-179.4	-61.3	175.2	0	0	0	112.8	G12 W13	G12-L15 WeakPolarHBondContact O-CB 3.25Å; G12-L15 PolarHBondContact O-N 3.43Å; G12-L15 VanDerWaalsContact O-N 3.13Å; W13-L15 PolarHBondContact O-N 3.15Å
16	I	88.8	Confident	84.7	Confident	4 Å²	4	78 Å²	78	2%	0.021	40%	0.399	C	S	.	.	H	α-helix	trans	-106	-20.7	-175.5	61.9	170.8	0	0	0	112.6	W13 A18 S19 L20 L77 I84 L88	W13-I16 HydrophobicContact CE3-CD1 3.87Å; W13-I16 HydrophobicContact CE3-CG1 4.12Å; W13-I16 HydrophobicContact CZ3-CD1 3.96Å; W13-I16 HydrophobicContact CZ3-CG1 4.37Å; W13-I16 VanDerWaalsContact O-CG1 3.25Å; W13-I16 WeakPolarHBondContact O-CG1 3.43Å; W13-I16 PolarHBondContact O-N 3.3Å; I16-A18 PolarHBondContact O-N 2.98Å; I16-S19 PolarHBondContact O-N 3.39Å; I16-L20 HydrophobicContact CB-CD1 4.34Å; I16-L20 HydrophobicContact CD1-CD1 3.93Å; I16-L20 HydrophobicContact CG1-CD1 4.09Å; I16-L20 WeakPolarHBondContact O-CG 3.37Å; I16-L20 PolarHBondContact O-N 3.04Å; I16-L77 HydrophobicContact CG2-CD1 3.61Å; I16-I84 HydrophobicContact CG2-CG2 3.86Å; I16-L88 HydrophobicContact CD1-CD1 4.1Å; I16-L88 HydrophobicContact CD1-CD2 3.82Å; I16-L88 HydrophobicContact CD1-CG 3.92Å; I16-L88 HydrophobicContact CG1-CD2 4.39Å
17	E	87.8	Confident	86.3	Confident	66 Å²	66	76.9 Å²	76.9	31%	0.308	39%	0.388	S	S	.	.	H	α-helix	trans	-51.8	-54.6	-175.2	-178.9	165.7	-126.8	0	0	112.1	W13 S19 L20 E21	W13-E17 HydrophobicContact CZ2-CB 4.32Å; W13-E17 HydrophobicContact CZ2-CG 4.26Å; W13-E17 PolarHBondContact NE1-OE1 3.04Å; W13-E17 WeakPolarHBondContact O-CB 3.37Å; W13-E17 PolarHBondContact O-N 3.23Å; E17-S19 VanDerWaalsContact C-N 3.34Å; E17-S19 PolarHBondContact O-N 2.9Å; E17-L20 PolarHBondContact O-N 3.4Å; E17-E21 HydrophobicContact CG-CG 4.37Å; E17-E21 WeakPolarHBondContact O-CG 3.37Å; E17-E21 PolarHBondContact O-N 2.84Å
18	A	89.8	Confident	87.6	Confident	57 Å²	57	70 Å²	70	47%	0.471	36%	0.363	S	S	.	.	H	α-helix	trans	-56.7	-45.6	-178.8	0	0	0	0	0	112.5	I16 L20 E21 E22	I16-A18 PolarHBondContact O-N 2.98Å; A18-L20 VanDerWaalsContact C-N 3.33Å; A18-L20 PolarHBondContact O-N 3.14Å; A18-E21 PolarHBondContact O-N 2.97Å; A18-E22 WeakPolarHBondContact O-CG 3.43Å; A18-E22 PolarHBondContact O-N 3.14Å
19	S	90.9	Very high	88.4	Confident	32 Å²	32	68.6 Å²	68.6	22%	0.224	35%	0.351	C	S	.	.	H	α-helix	trans	-65.7	-36.1	177.9	-63.6	0	0	0	0	112.4	I16 E17 F23 Y73	I16-S19 PolarHBondContact O-N 3.39Å; E17-S19 VanDerWaalsContact C-N 3.34Å; E17-S19 PolarHBondContact O-N 2.9Å; S19-F23 WeakPolarHBondContact O-CD2 3.35Å; S19-F23 PolarHBondContact O-N 3.29Å; S19-Y73 WeakPolarHBondContact CB-OH 3.35Å; S19-Y73 PolarHBondContact OG-OH 3.09Å
20	L	89.8	Confident	88.9	Confident	4 Å²	4	65.9 Å²	65.9	2%	0.021	34%	0.336	C	S	.	.	H	α-helix	trans	-70.8	-39.3	176.9	-68.2	176.2	0	0	0	111.9	W13 I16 E17 A18 E22 F23 E24 R70 Y73 I74 L97	W13-L20 HydrophobicContact CH2-CD1 3.58Å; W13-L20 HydrophobicContact CZ2-CD1 4.48Å; W13-L20 HydrophobicContact CZ3-CD1 3.8Å; I16-L20 HydrophobicContact CB-CD1 4.34Å; I16-L20 HydrophobicContact CD1-CD1 3.93Å; I16-L20 HydrophobicContact CG1-CD1 4.09Å; I16-L20 WeakPolarHBondContact O-CG 3.37Å; I16-L20 PolarHBondContact O-N 3.04Å; E17-L20 PolarHBondContact O-N 3.4Å; A18-L20 VanDerWaalsContact C-N 3.33Å; A18-L20 PolarHBondContact O-N 3.14Å; L20-E22 VanDerWaalsContact C-N 3.33Å; L20-E22 PolarHBondContact O-N 2.91Å; L20-F23 PolarHBondContact O-N 2.97Å; L20-E24 WeakPolarHBondContact O-CG 3.47Å; L20-E24 PolarHBondContact O-N 3.31Å; L20-R70 HydrophobicContact CD2-CG 4.23Å; L20-Y73 HydrophobicContact CD2-CD1 4.49Å; L20-I74 HydrophobicContact CD2-CD1 3.84Å; L20-I74 HydrophobicContact CD2-CG1 4.1Å; L20-L97 HydrophobicContact CD1-CD1 4.19Å
21	E	90.4	Very high	89.1	Confident	109 Å²	109	70.1 Å²	70.1	51%	0.509	35%	0.348	S	S	.	.	H	α-helix	trans	-61.5	-40.6	174.3	-72.6	-170	151.8	0	0	112	E17 A18 F23 E24 Q25	E17-E21 HydrophobicContact CG-CG 4.37Å; E17-E21 WeakPolarHBondContact O-CG 3.37Å; E17-E21 PolarHBondContact O-N 2.84Å; A18-E21 PolarHBondContact O-N 2.97Å; E21-F23 PolarHBondContact O-N 3.34Å; E21-E24 PolarHBondContact O-N 3.04Å; E21-Q25 WeakPolarHBondContact O-CB 3.32Å; E21-Q25 PolarHBondContact O-N 3.48Å
22	E	91.9	Very high	89.4	Confident	106 Å²	106	67.7 Å²	67.7	50%	0.495	34%	0.336	S	S	.	.	H	α-helix	trans	-59.7	-45.8	173.2	-74.5	179.4	-159.9	0	0	112	A18 L20 E24 Q25 K26	A18-E22 WeakPolarHBondContact O-CG 3.43Å; A18-E22 PolarHBondContact O-N 3.14Å; L20-E22 VanDerWaalsContact C-N 3.33Å; L20-E22 PolarHBondContact O-N 2.91Å; E22-E24 VanDerWaalsContact C-N 3.3Å; E22-E24 PolarHBondContact O-N 3.44Å; E22-Q25 PolarHBondContact O-N 3.02Å; E22-K26 WeakPolarHBondContact O-CG 3.47Å; E22-K26 PolarHBondContact O-N 3.48Å
23	F	92.5	Very high	89.4	Confident	27 Å²	27	69.5 Å²	69.5	12%	0.118	35%	0.345	C	S	.	.	H	α-helix	trans	-62.8	-39	175.8	-73.4	-58.7	0	0	0	111.5	S19 L20 E21 K26 M27 I66 Q69 R70 Y73	S19-F23 WeakPolarHBondContact O-CD2 3.35Å; S19-F23 PolarHBondContact O-N 3.29Å; L20-F23 PolarHBondContact O-N 2.97Å; E21-F23 PolarHBondContact O-N 3.34Å; F23-K26 PolarHBondContact O-N 2.82Å; F23-M27 WeakPolarHBondContact O-CB 3.38Å; F23-M27 VanDerWaalsContact O-CG 3.24Å; F23-M27 WeakPolarHBondContact O-CG 3.49Å; F23-M27 PolarHBondContact O-N 3.2Å; F23-I66 HydrophobicContact CB-CG2 4.48Å; F23-I66 HydrophobicContact CD1-CG2 4.15Å; F23-Q69 HydrophobicContact CE1-CB 3.93Å; F23-R70 HydrophobicContact CB-CB 4.16Å; F23-R70 HydrophobicContact CB-CG 4Å; F23-R70 HydrophobicContact CD1-CB 4.35Å; F23-R70 HydrophobicContact CD2-CB 4.21Å; F23-R70 HydrophobicContact CD2-CG 4.1Å; F23-R70 HydrophobicContact CG-CB 4Å; F23-R70 HydrophobicContact CG-CG 4.13Å; F23-Y73 HydrophobicContact CE2-CD1 4.01Å; F23-Y73 HydrophobicContact CE2-CD2 4.47Å; F23-Y73 AromaticContact CE2-CG 3.89Å; F23-Y73 HydrophobicContact CE2-CG 3.89Å; F23-Y73 HydrophobicContact CZ-CG 4.47Å
24	E	89.8	Confident	89.4	Confident	53 Å²	53	69.8 Å²	69.8	25%	0.248	35%	0.347	C	S	.	.	H	α-helix	trans	-67.3	-37.8	176.4	-73.8	-162.9	168.7	0	0	113.4	L20 E21 E22 M27 R28	L20-E24 WeakPolarHBondContact O-CG 3.47Å; L20-E24 PolarHBondContact O-N 3.31Å; E21-E24 PolarHBondContact O-N 3.04Å; E22-E24 VanDerWaalsContact C-N 3.3Å; E22-E24 PolarHBondContact O-N 3.44Å; E24-M27 WeakPolarHBondContact O-CB 3.42Å; E24-M27 PolarHBondContact O-N 3.37Å; E24-R28 WeakPolarHBondContact O-CG 3.36Å; E24-R28 PolarHBondContact O-N 3.46Å; E24-R28 IonicContact OE2-NH1 3.54Å
25	Q	91.6	Very high	89.5	Confident	100 Å²	100	68.9 Å²	68.9	47%	0.467	34%	0.341	S	S	.	.	H	α-helix	trans	-63.1	-49.2	174.1	178.5	174.5	-8.3	0	0	110.4	E21 E22 M27 R28 E29	E21-Q25 WeakPolarHBondContact O-CB 3.32Å; E21-Q25 PolarHBondContact O-N 3.48Å; E22-Q25 PolarHBondContact O-N 3.02Å; Q25-M27 PolarHBondContact O-N 3.49Å; Q25-R28 WeakPolarHBondContact O-CA 3.5Å; Q25-R28 WeakPolarHBondContact O-CB 3.39Å; Q25-R28 PolarHBondContact O-N 2.92Å; Q25-E29 VanDerWaalsContact CG-OE1 3.32Å; Q25-E29 WeakPolarHBondContact CG-OE1 3.5Å; Q25-E29 PolarHBondContact NE2-OE1 3.22Å; Q25-E29 WeakPolarHBondContact O-CG 3.48Å; Q25-E29 PolarHBondContact O-N 3.23Å
26	K	91.6	Very high	89.5	Confident	90 Å²	90	72 Å²	72	39%	0.391	34%	0.343	S	S	.	.	H	α-helix	trans	-56.4	-38.2	174.1	-71.3	170.4	-177	164.7	0	111.6	E22 F23 G30 I66	E22-K26 WeakPolarHBondContact O-CG 3.47Å; E22-K26 PolarHBondContact O-N 3.48Å; F23-K26 PolarHBondContact O-N 2.82Å; K26-G30 PolarHBondContact O-N 3.5Å; K26-I66 HydrophobicContact CB-CD1 3.94Å; K26-I66 HydrophobicContact CB-CG1 4.43Å; K26-I66 HydrophobicContact CB-CG2 4.31Å; K26-I66 WeakPolarHBondContact O-CD1 3.32Å
27	M	88.8	Confident	89.3	Confident	11 Å²	11	73.3 Å²	73.3	5%	0.054	35%	0.351	C	S	.	.	H	α-helix	trans	-65.7	-39.7	173.7	-77.1	-65.4	-160.6	0	0	113.1	F23 E24 Q25 R31 I63 I66 H67	F23-M27 WeakPolarHBondContact O-CB 3.38Å; F23-M27 VanDerWaalsContact O-CG 3.24Å; F23-M27 WeakPolarHBondContact O-CG 3.49Å; F23-M27 PolarHBondContact O-N 3.2Å; E24-M27 WeakPolarHBondContact O-CB 3.42Å; E24-M27 PolarHBondContact O-N 3.37Å; Q25-M27 PolarHBondContact O-N 3.49Å; M27-R31 WeakPolarHBondContact O-CB 3.45Å; M27-R31 VanDerWaalsContact O-CG 3.31Å; M27-R31 WeakPolarHBondContact O-CG 3.39Å; M27-R31 PolarHBondContact O-N 3.18Å; M27-I63 HydrophobicContact CE-CG2 4.32Å; M27-I63 WeakPolarHBondContact CE-O 3.01Å; M27-I63 WeakPolarHBondContact O-CD1 3.46Å; M27-I63 HydrophobicContact SD-CB 4.38Å; M27-I63 HydrophobicContact SD-CD1 3.54Å; M27-I63 VanDerWaalsContact SD-CD1 3.54Å; M27-I63 HydrophobicContact SD-CG2 3.89Å; M27-I66 HydrophobicContact CE-CB 3.71Å; M27-I66 HydrophobicContact CE-CG2 3.72Å; M27-I66 HydrophobicContact CG-CB 4.3Å; M27-I66 HydrophobicContact CG-CG2 3.66Å; M27-I66 HydrophobicContact SD-CB 3.76Å; M27-I66 HydrophobicContact SD-CD1 4.27Å; M27-I66 HydrophobicContact SD-CG2 3.79Å; M27-H67 HydrophobicContact CE-CB 3.62Å
28	R	89.5	Confident	89.1	Confident	99 Å²	99	72.8 Å²	72.8	37%	0.374	35%	0.35	S	S	.	.	H	α-helix	trans	-63.7	-48.2	175.7	-77.8	-175.5	-69.7	-97.7	8.1	110.8	E24 Q25 G30 R31 H32	E24-R28 WeakPolarHBondContact O-CG 3.36Å; E24-R28 PolarHBondContact O-N 3.46Å; E24-R28 IonicContact OE2-NH1 3.54Å; Q25-R28 WeakPolarHBondContact O-CA 3.5Å; Q25-R28 WeakPolarHBondContact O-CB 3.39Å; Q25-R28 PolarHBondContact O-N 2.92Å; R28-G30 PolarHBondContact O-N 2.99Å; R28-R31 PolarHBondContact O-N 3.46Å; R28-H32 PolarHBondContact O-CD2 2.92Å; R28-H32 PolarHBondContact O-N 2.9Å
29	E	90.4	Very high	89	Confident	104 Å²	104	74 Å²	74	49%	0.486	36%	0.355	S	S	.	.	H	α-helix	trans	-59.9	-45.8	176.6	-69.5	168.3	-169.9	0	0	111.2	Q25 R31 H32 S33	Q25-E29 VanDerWaalsContact CG-OE1 3.32Å; Q25-E29 WeakPolarHBondContact CG-OE1 3.5Å; Q25-E29 PolarHBondContact NE2-OE1 3.22Å; Q25-E29 WeakPolarHBondContact O-CG 3.48Å; Q25-E29 PolarHBondContact O-N 3.23Å; E29-R31 VanDerWaalsContact C-N 3.34Å; E29-R31 PolarHBondContact O-N 3.43Å; E29-H32 PolarHBondContact O-N 3.4Å; E29-S33 WeakPolarHBondContact O-CB 3.37Å; E29-S33 PolarHBondContact O-N 3Å
30	G	88.6	Confident	88.6	Confident	11 Å²	11	75.2 Å²	75.2	11%	0.113	37%	0.367	C	S	.	.	H	α-helix	trans	-58.7	-43.2	174	0	0	0	0	0	112.4	K26 R28 S33 I34	K26-G30 PolarHBondContact O-N 3.5Å; R28-G30 PolarHBondContact O-N 2.99Å; G30-S33 PolarHBondContact O-N 3.03Å; G30-I34 WeakPolarHBondContact O-CB 3.43Å; G30-I34 WeakPolarHBondContact O-CD1 3.47Å; G30-I34 VanDerWaalsContact O-CG1 3.27Å; G30-I34 WeakPolarHBondContact O-CG1 3.44Å; G30-I34 PolarHBondContact O-N 3.47Å
31	R	89.6	Confident	88.2	Confident	119 Å²	119	75.4 Å²	75.4	45%	0.449	37%	0.367	S	S	.	.	H	α-helix	trans	-64.8	-42.2	176.4	-78.4	-169.2	-59.5	-91.2	4.3	112	M27 R28 E29 S33 I34 I35 I63	M27-R31 WeakPolarHBondContact O-CB 3.45Å; M27-R31 VanDerWaalsContact O-CG 3.31Å; M27-R31 WeakPolarHBondContact O-CG 3.39Å; M27-R31 PolarHBondContact O-N 3.18Å; R28-R31 PolarHBondContact O-N 3.46Å; E29-R31 VanDerWaalsContact C-N 3.34Å; E29-R31 PolarHBondContact O-N 3.43Å; R31-S33 VanDerWaalsContact C-N 3.34Å; R31-I34 PolarHBondContact O-N 3.3Å; R31-I35 VanDerWaalsContact O-CG1 3.27Å; R31-I35 WeakPolarHBondContact O-CG1 3.46Å; R31-I35 PolarHBondContact O-N 3.25Å; R31-I63 HydrophobicContact CG-CD1 4.03Å
32	H	89.9	Confident	87.8	Confident	127 Å²	127	73 Å²	73	59%	0.588	36%	0.363	S	S	*	.	H	α-helix	trans	-63.5	-41.9	175.9	-69	-180	0	0	0	111.4	R28 E29 I34 I35 R36	R28-H32 PolarHBondContact O-CD2 2.92Å; R28-H32 PolarHBondContact O-N 2.9Å; E29-H32 PolarHBondContact O-N 3.4Å; H32-I34 VanDerWaalsContact C-N 3.33Å; H32-I34 PolarHBondContact O-N 3.49Å; H32-I35 PolarHBondContact O-N 2.94Å; H32-R36 WeakPolarHBondContact O-CB 3.48Å; H32-R36 PolarHBondContact O-N 2.89Å
33	S	86.4	Confident	87.3	Confident	66 Å²	66	73.9 Å²	73.9	46%	0.462	37%	0.365	S	S	.	.	H	α-helix	trans	-61.6	-41.3	174.8	-176.6	0	0	0	0	111.9	E29 G30 R31 R36 T37	E29-S33 WeakPolarHBondContact O-CB 3.37Å; E29-S33 PolarHBondContact O-N 3Å; G30-S33 PolarHBondContact O-N 3.03Å; R31-S33 VanDerWaalsContact C-N 3.34Å; S33-R36 PolarHBondContact O-N 3.4Å; S33-T37 WeakPolarHBondContact O-CB 3.39Å; S33-T37 PolarHBondContact O-N 3.06Å; S33-T37 PolarHBondContact O-OG1 3.01Å
34	I	86.5	Confident	86.6	Confident	16 Å²	16	73.3 Å²	73.3	8%	0.082	37%	0.366	C	S	.	.	H	α-helix	trans	-62.9	-49.3	174.1	-74.7	159.8	0	0	0	111.3	G30 R31 H32 R36 T37 L38 A59 L60 I63	G30-I34 WeakPolarHBondContact O-CB 3.43Å; G30-I34 WeakPolarHBondContact O-CD1 3.47Å; G30-I34 VanDerWaalsContact O-CG1 3.27Å; G30-I34 WeakPolarHBondContact O-CG1 3.44Å; G30-I34 PolarHBondContact O-N 3.47Å; R31-I34 PolarHBondContact O-N 3.3Å; H32-I34 VanDerWaalsContact C-N 3.33Å; H32-I34 PolarHBondContact O-N 3.49Å; I34-R36 VanDerWaalsContact C-N 3.25Å; I34-R36 PolarHBondContact O-N 3.03Å; I34-T37 PolarHBondContact O-N 2.86Å; I34-T37 VanDerWaalsContact O-N 3.15Å; I34-L38 HydrophobicContact CG2-CD1 3.52Å; I34-L38 HydrophobicContact CG2-CG 3.95Å; I34-L38 WeakPolarHBondContact O-CB 3.39Å; I34-L38 VanDerWaalsContact O-CG 3.31Å; I34-L38 WeakPolarHBondContact O-CG 3.38Å; I34-L38 PolarHBondContact O-N 3.3Å; I34-A59 WeakPolarHBondContact CD1-O 3.24Å; I34-A59 HydrophobicContact CG1-CB 4.4Å; I34-A59 WeakPolarHBondContact CG1-O 3.41Å; I34-L60 HydrophobicContact CD1-CD2 3.95Å; I34-L60 HydrophobicContact CG2-CD2 4.1Å; I34-I63 HydrophobicContact CD1-CB 4.21Å; I34-I63 HydrophobicContact CD1-CD1 4.2Å; I34-I63 HydrophobicContact CD1-CG1 3.2Å
35	I	88.2	Confident	85.9	Confident	111 Å²	111	75.8 Å²	75.8	57%	0.569	38%	0.377	S	S	*	.	H	α-helix	trans	-58.4	-43.9	179.8	-69.9	163.7	0	0	0	109.7	R31 H32 C39	R31-I35 VanDerWaalsContact O-CG1 3.27Å; R31-I35 WeakPolarHBondContact O-CG1 3.46Å; R31-I35 PolarHBondContact O-N 3.25Å; H32-I35 PolarHBondContact O-N 2.94Å; I35-C39 WeakPolarHBondContact O-CB 3.29Å; I35-C39 PolarHBondContact O-N 3.42Å
36	R	86.8	Confident	85.3	Confident	200 Å²	200	75.1 Å²	75.1	76%	0.755	39%	0.389	S	S	*	.	H	α-helix	trans	-62.2	-45.9	176	-172.3	-174.5	-67.4	168.3	-3.1	112	H32 S33 I34 C39 A40	H32-R36 WeakPolarHBondContact O-CB 3.48Å; H32-R36 PolarHBondContact O-N 2.89Å; S33-R36 PolarHBondContact O-N 3.4Å; I34-R36 VanDerWaalsContact C-N 3.25Å; I34-R36 PolarHBondContact O-N 3.03Å; R36-C39 PolarHBondContact O-N 2.92Å; R36-A40 WeakPolarHBondContact O-CB 3.33Å; R36-A40 PolarHBondContact O-N 3.02Å
37	T	84.7	Confident	84.8	Confident	31 Å²	31	75.5 Å²	75.5	19%	0.19	39%	0.392	C	S	.	.	H	α-helix	trans	-65.7	-46.1	180	-55.5	0	0	0	0	111.3	S33 I34 C39 A40 I41 A59	S33-T37 WeakPolarHBondContact O-CB 3.39Å; S33-T37 PolarHBondContact O-N 3.06Å; S33-T37 PolarHBondContact O-OG1 3.01Å; I34-T37 PolarHBondContact O-N 2.86Å; I34-T37 VanDerWaalsContact O-N 3.15Å; T37-C39 VanDerWaalsContact C-N 3.35Å; T37-A40 PolarHBondContact O-N 3.21Å; T37-I41 HydrophobicContact CG2-CD1 3.99Å; T37-I41 WeakPolarHBondContact O-CG1 3.34Å; T37-I41 PolarHBondContact O-N 2.89Å; T37-A59 HydrophobicContact CG2-CB 4.28Å
38	L	84.5	Confident	84	Confident	55 Å²	55	80.2 Å²	80.2	29%	0.288	43%	0.426	S	S	.	.	H	α-helix	trans	-64.9	-39.6	177.6	-69.8	178.4	0	0	0	111.4	I34 I41 S42 R56 A59	I34-L38 HydrophobicContact CG2-CD1 3.52Å; I34-L38 HydrophobicContact CG2-CG 3.95Å; I34-L38 WeakPolarHBondContact O-CB 3.39Å; I34-L38 VanDerWaalsContact O-CG 3.31Å; I34-L38 WeakPolarHBondContact O-CG 3.38Å; I34-L38 PolarHBondContact O-N 3.3Å; L38-I41 HydrophobicContact CD2-CD1 4.39Å; L38-I41 PolarHBondContact O-N 2.92Å; L38-S42 WeakPolarHBondContact O-CB 3.45Å; L38-S42 PolarHBondContact O-N 3.49Å; L38-S42 PolarHBondContact O-OG 3.31Å; L38-R56 HydrophobicContact CD2-CB 4.11Å; L38-R56 HydrophobicContact CD2-CG 4.01Å; L38-A59 HydrophobicContact CD2-CB 4.44Å
39	C	86.7	Confident	82.9	Confident	83 Å²	83	81.4 Å²	81.4	56%	0.561	44%	0.436	S	S	*	.	H	α-helix	trans	-62.5	-44	174.1	-176.4	0	0	0	0	111.2	I35 R36 T37 S42 F43	I35-C39 WeakPolarHBondContact O-CB 3.29Å; I35-C39 PolarHBondContact O-N 3.42Å; R36-C39 PolarHBondContact O-N 2.92Å; T37-C39 VanDerWaalsContact C-N 3.35Å; C39-S42 PolarHBondContact O-N 3.48Å; C39-F43 VanDerWaalsContact O-CB 3.31Å; C39-F43 WeakPolarHBondContact O-CB 3.33Å; C39-F43 PolarHBondContact O-N 3.25Å
40	A	83.3	Confident	81.3	Confident	58 Å²	58	82.2 Å²	82.2	48%	0.479	45%	0.45	S	S	.	.	H	α-helix	trans	-62.4	-43.1	175	0	0	0	0	0	112.5	R36 T37 F43 A44	R36-A40 WeakPolarHBondContact O-CB 3.33Å; R36-A40 PolarHBondContact O-N 3.02Å; T37-A40 PolarHBondContact O-N 3.21Å; A40-F43 PolarHBondContact O-N 2.92Å; A40-A44 WeakPolarHBondContact O-CB 2.98Å; A40-A44 PolarHBondContact O-N 3.47Å
41	I	80.1	Confident	80	Confident	7 Å²	7	85.3 Å²	85.3	4%	0.036	46%	0.462	C	S	.	.	H	α-helix	trans	-60.2	-48.4	174.5	-66.8	166.3	0	0	0	110.3	T37 L38 F43 A44 Q45 H51 R56	T37-I41 HydrophobicContact CG2-CD1 3.99Å; T37-I41 WeakPolarHBondContact O-CG1 3.34Å; T37-I41 PolarHBondContact O-N 2.89Å; L38-I41 HydrophobicContact CD2-CD1 4.39Å; L38-I41 PolarHBondContact O-N 2.92Å; I41-F43 VanDerWaalsContact C-N 3.28Å; I41-F43 PolarHBondContact O-N 3.24Å; I41-A44 PolarHBondContact O-N 2.97Å; I41-Q45 HydrophobicContact CG2-CG 4.46Å; I41-Q45 WeakPolarHBondContact O-CB 3.49Å; I41-Q45 VanDerWaalsContact O-CG 3.24Å; I41-Q45 WeakPolarHBondContact O-CG 3.45Å; I41-Q45 PolarHBondContact O-N 3.44Å; I41-H51 VanDerWaalsContact CG1-CE1 3.48Å; I41-H51 WeakPolarHBondContact CG1-CE1 3.45Å; I41-R56 HydrophobicContact CD1-CG 4.4Å; I41-R56 HydrophobicContact CG2-CG 4.38Å
42	S	81.5	Confident	78.4	Confident	59 Å²	59	88.3 Å²	88.3	41%	0.413	48%	0.481	S	S	.	.	H	α-helix	trans	-63.1	-35.3	179.5	-74.4	0	0	0	0	112.5	L38 C39 A46	L38-S42 WeakPolarHBondContact O-CB 3.45Å; L38-S42 PolarHBondContact O-N 3.49Å; L38-S42 PolarHBondContact O-OG 3.31Å; C39-S42 PolarHBondContact O-N 3.48Å; S42-A46 PolarHBondContact O-N 3.45Å
43	F	83.2	Confident	76.9	Confident	124 Å²	124	85.5 Å²	85.5	54%	0.544	49%	0.486	S	S	.	.	H	α-helix	trans	-69.8	-50.9	176.7	-172.3	-101.8	0	0	0	111.7	C39 A40 I41 Q45 A46 E47	C39-F43 VanDerWaalsContact O-CB 3.31Å; C39-F43 WeakPolarHBondContact O-CB 3.33Å; C39-F43 PolarHBondContact O-N 3.25Å; A40-F43 PolarHBondContact O-N 2.92Å; I41-F43 VanDerWaalsContact C-N 3.28Å; I41-F43 PolarHBondContact O-N 3.24Å; F43-Q45 VanDerWaalsContact C-N 3.28Å; F43-Q45 PolarHBondContact O-N 2.92Å; F43-A46 WeakPolarHBondContact O-CA 3.47Å; F43-A46 WeakPolarHBondContact O-CB 3.42Å; F43-A46 PolarHBondContact O-N 2.82Å; F43-E47 HydrophobicContact CD1-CG 4.5Å; F43-E47 WeakPolarHBondContact CD1-OE2 3.26Å; F43-E47 HydrophobicContact CE1-CG 4.18Å; F43-E47 WeakPolarHBondContact CE1-OE1 3.5Å; F43-E47 WeakPolarHBondContact CE1-OE2 3.42Å; F43-E47 VanDerWaalsContact CZ-CD 3.46Å; F43-E47 HydrophobicContact CZ-CG 4.3Å; F43-E47 WeakPolarHBondContact CZ-OE1 3.43Å; F43-E47 PolarHBondContact O-N 3.45Å
44	A	77.9	Confident	75.7	Confident	16 Å²	16	90 Å²	90	13%	0.132	49%	0.492	C	S	.	.	H	α-helix	trans	-59.6	-36.6	177.5	0	0	0	0	0	112.9	A40 I41 A46 E47 S48 E49	A40-A44 WeakPolarHBondContact O-CB 2.98Å; A40-A44 PolarHBondContact O-N 3.47Å; I41-A44 PolarHBondContact O-N 2.97Å; A44-A46 VanDerWaalsContact C-N 3.31Å; A44-A46 PolarHBondContact O-N 3.21Å; A44-E47 PolarHBondContact O-N 3.3Å; A44-S48 PolarHBondContact O-N 3.33Å; A44-E49 PolarHBondContact O-N 3.43Å
45	Q	73.2	Confident	74.9	Confident	104 Å²	104	97 Å²	97	49%	0.486	52%	0.518	S	S	.	.	H	α-helix	trans	-64.1	-34.2	173.3	-74.7	-177.2	-49	0	0	112.9	I41 F43	I41-Q45 HydrophobicContact CG2-CG 4.46Å; I41-Q45 WeakPolarHBondContact O-CB 3.49Å; I41-Q45 VanDerWaalsContact O-CG 3.24Å; I41-Q45 WeakPolarHBondContact O-CG 3.45Å; I41-Q45 PolarHBondContact O-N 3.44Å; F43-Q45 VanDerWaalsContact C-N 3.28Å; F43-Q45 PolarHBondContact O-N 2.92Å
46	A	80	Confident	74.3	Confident	86 Å²	86	98.1 Å²	98.1	71%	0.711	52%	0.515	S	S	*	.	H	α-helix	trans	-73.1	-32.3	175.8	0	0	0	0	0	111.9	S42 F43 A44 S48	S42-A46 PolarHBondContact O-N 3.45Å; F43-A46 WeakPolarHBondContact O-CA 3.47Å; F43-A46 WeakPolarHBondContact O-CB 3.42Å; F43-A46 PolarHBondContact O-N 2.82Å; A44-A46 VanDerWaalsContact C-N 3.31Å; A44-A46 PolarHBondContact O-N 3.21Å; A46-S48 VanDerWaalsContact C-N 3.28Å; A46-S48 PolarHBondContact O-N 2.85Å
47	E	80.9	Confident	73.9	Confident	98 Å²	98	91.7 Å²	91.7	46%	0.458	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	1.8	178	-65.2	-172.3	140.8	0	0	113.9	F43 A44 E49	F43-E47 HydrophobicContact CD1-CG 4.5Å; F43-E47 WeakPolarHBondContact CD1-OE2 3.26Å; F43-E47 HydrophobicContact CE1-CG 4.18Å; F43-E47 WeakPolarHBondContact CE1-OE1 3.5Å; F43-E47 WeakPolarHBondContact CE1-OE2 3.42Å; F43-E47 VanDerWaalsContact CZ-CD 3.46Å; F43-E47 HydrophobicContact CZ-CG 4.3Å; F43-E47 WeakPolarHBondContact CZ-OE1 3.43Å; F43-E47 PolarHBondContact O-N 3.45Å; A44-E47 PolarHBondContact O-N 3.3Å; E47-E49 PolarHBondContact O-N 2.86Å
48	S	71.6	Confident	73.9	Confident	111 Å²	111	92.2 Å²	92.2	78%	0.776	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	26.5	-178.3	67	0	0	0	0	115	A44 A46	A44-S48 PolarHBondContact O-N 3.33Å; A46-S48 VanDerWaalsContact C-N 3.28Å; A46-S48 PolarHBondContact O-N 2.85Å
49	E	67.7	Low	73.9	Confident	124 Å²	124	90.3 Å²	90.3	58%	0.579	49%	0.49	S	S	*	.			trans	-78.6	137	168.7	-65.8	-166.4	141	0	0	110.2	A44 E47 H51	A44-E49 PolarHBondContact O-N 3.43Å; E47-E49 PolarHBondContact O-N 2.86Å; E49-H51 PolarHBondContact O-N 3.5Å
50	P	56.6	Low	73.9	Confident	120 Å²	120	89.7 Å²	89.7	78%	0.779	48%	0.481	S	S	*	.			trans	-63.1	112	174.6	25.4	-31.6	0	0	0	109.2	E52	P50-E52 PolarHBondContact O-N 2.83Å
51	H	61.2	Low	74.3	Confident	77 Å²	77	88.4 Å²	88.4	36%	0.356	46%	0.464	S	S	.	.			trans	-67.2	97.3	179.9	-178.8	58.3	0	0	0	110.7	I41 E49 G53 R54	I41-H51 VanDerWaalsContact CG1-CE1 3.48Å; I41-H51 WeakPolarHBondContact CG1-CE1 3.45Å; E49-H51 PolarHBondContact O-N 3.5Å; H51-G53 PolarHBondContact O-N 3.28Å; H51-R54 PolarHBondContact CD2-O 3.06Å; H51-R54 PolarHBondContact NE2-O 3.25Å
52	E	55.2	Low	74.8	Confident	182 Å²	182	91 Å²	91	85%	0.85	48%	0.481	S	S	*	.			trans	-67.9	100.8	174.8	-92	-178	168.7	0	0	111	P50 R54	P50-E52 PolarHBondContact O-N 2.83Å; E52-R54 PolarHBondContact O-N 3.32Å
53	G	58.7	Low	75.2	Confident	67 Å²	67	90 Å²	90	69%	0.691	47%	0.47	S	S	*	.	S	Bend	trans	95.3	-19.9	136.9	0	0	0	0	0	118	H51	H51-G53 PolarHBondContact O-N 3.28Å
54	R	60.8	Low	75.6	Confident	160 Å²	160	87.4 Å²	87.4	60%	0.604	46%	0.459	S	S	*	.			trans	-101.3	111.5	179.3	-63.6	-159.5	-150.9	-179.1	8.3	113.7	H51 E52 E58	H51-R54 PolarHBondContact CD2-O 3.06Å; H51-R54 PolarHBondContact NE2-O 3.25Å; E52-R54 PolarHBondContact O-N 3.32Å; R54-E58 WeakPolarHBondContact CA-OE2 3.35Å
55	R	70.4	Confident	76.2	Confident	164 Å²	164	92.5 Å²	92.5	62%	0.619	48%	0.475	S	S	*	.			trans	-65.6	143.6	172	-62.2	174.2	-180	-170.2	0.3	109.6	V57 E58	R55-V57 PolarHBondContact O-N 2.8Å; R55-E58 HydrophobicContact CB-CG 4.05Å; R55-E58 WeakPolarHBondContact CB-OE1 3.44Å; R55-E58 WeakPolarHBondContact CD-OE1 3.44Å; R55-E58 VanDerWaalsContact CG-OE1 3.24Å; R55-E58 WeakPolarHBondContact CG-OE1 3.32Å; R55-E58 PolarHBondContact N-OE1 3.05Å; R55-E58 PolarHBondContact N-OE2 2.88Å; R55-E58 WeakPolarHBondContact O-CB 3.28Å; R55-E58 PolarHBondContact O-N 3.25Å
56	R	75.4	Confident	77.1	Confident	135 Å²	135	88.5 Å²	88.5	51%	0.509	46%	0.457	S	S	.	.	H	α-helix	trans	-52.5	-30.3	173.6	-71.1	-175	179.8	-176.1	1.3	112.6	L38 I41 A59	L38-R56 HydrophobicContact CD2-CB 4.11Å; L38-R56 HydrophobicContact CD2-CG 4.01Å; I41-R56 HydrophobicContact CD1-CG 4.4Å; I41-R56 HydrophobicContact CG2-CG 4.38Å; R56-A59 WeakPolarHBondContact O-CB 3.27Å
57	V	78.7	Confident	77.7	Confident	65 Å²	65	87 Å²	87	39%	0.394	44%	0.435	S	S	.	.	H	α-helix	trans	-67.1	-37.3	176.3	-175.3	0	0	0	0	112.2	R55 A59 L60 V149	R55-V57 PolarHBondContact O-N 2.8Å; V57-A59 VanDerWaalsContact C-N 3.26Å; V57-A59 PolarHBondContact O-N 3.48Å; V57-L60 WeakPolarHBondContact O-CB 3.41Å; V57-L60 PolarHBondContact O-N 2.9Å; V57-V149 VanDerWaalsContact CG1-O 3.3Å; V57-V149 WeakPolarHBondContact CG1-O 3.46Å
58	E	83.9	Confident	78.3	Confident	42 Å²	42	84.6 Å²	84.6	20%	0.196	42%	0.424	C	S	.	.	H	α-helix	trans	-65.7	-30.9	-179.3	-69.7	161.6	-151.5	0	0	112.3	R54 R55 L60 W61	R54-E58 WeakPolarHBondContact CA-OE2 3.35Å; R55-E58 HydrophobicContact CB-CG 4.05Å; R55-E58 WeakPolarHBondContact CB-OE1 3.44Å; R55-E58 WeakPolarHBondContact CD-OE1 3.44Å; R55-E58 VanDerWaalsContact CG-OE1 3.24Å; R55-E58 WeakPolarHBondContact CG-OE1 3.32Å; R55-E58 PolarHBondContact N-OE1 3.05Å; R55-E58 PolarHBondContact N-OE2 2.88Å; R55-E58 WeakPolarHBondContact O-CB 3.28Å; R55-E58 PolarHBondContact O-N 3.25Å; E58-L60 PolarHBondContact O-N 2.84Å; E58-W61 HydrophobicContact CB-CD2 4.13Å; E58-W61 HydrophobicContact CB-CE3 4.26Å; E58-W61 HydrophobicContact CB-CZ2 4.4Å; E58-W61 HydrophobicContact CB-CZ3 4.47Å; E58-W61 HydrophobicContact CG-CD2 4.11Å; E58-W61 HydrophobicContact CG-CE3 4.2Å; E58-W61 HydrophobicContact CG-CH2 3.64Å; E58-W61 HydrophobicContact CG-CZ2 3.5Å; E58-W61 VanDerWaalsContact CG-CZ2 3.5Å; E58-W61 HydrophobicContact CG-CZ3 3.97Å; E58-W61 WeakPolarHBondContact O-CB 3.29Å; E58-W61 PolarHBondContact O-N 3.34Å; E58-W61 VanDerWaalsContact O-N 3.12Å
59	A	85.1	Confident	79.3	Confident	14 Å²	14	84 Å²	84	12%	0.116	41%	0.409	C	S	.	.	H	α-helix	trans	-57.3	-32.9	173.3	0	0	0	0	0	111.4	I34 T37 L38 R56 V57 P62	I34-A59 WeakPolarHBondContact CD1-O 3.24Å; I34-A59 HydrophobicContact CG1-CB 4.4Å; I34-A59 WeakPolarHBondContact CG1-O 3.41Å; T37-A59 HydrophobicContact CG2-CB 4.28Å; L38-A59 HydrophobicContact CD2-CB 4.44Å; R56-A59 WeakPolarHBondContact O-CB 3.27Å; V57-A59 VanDerWaalsContact C-N 3.26Å; V57-A59 PolarHBondContact O-N 3.48Å; A59-P62 VanDerWaalsContact O-CD 3.24Å; A59-P62 WeakPolarHBondContact O-CD 3.27Å
60	L	87.3	Confident	80.6	Confident	71 Å²	71	79.5 Å²	79.5	37%	0.372	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-15.5	-178.7	-59.2	177.9	0	0	0	113.8	I34 V57 E58 P62 I63 F64	I34-L60 HydrophobicContact CD1-CD2 3.95Å; I34-L60 HydrophobicContact CG2-CD2 4.1Å; V57-L60 WeakPolarHBondContact O-CB 3.41Å; V57-L60 PolarHBondContact O-N 2.9Å; E58-L60 PolarHBondContact O-N 2.84Å; L60-P62 VanDerWaalsContact C-CD 3.46Å; L60-I63 WeakPolarHBondContact O-CB 3.43Å; L60-I63 PolarHBondContact O-N 3.42Å; L60-F64 HydrophobicContact CB-CD2 4.06Å; L60-F64 HydrophobicContact CB-CE2 3.88Å; L60-F64 HydrophobicContact CD1-CE2 4.49Å; L60-F64 WeakPolarHBondContact O-CD2 3.3Å; L60-F64 PolarHBondContact O-N 3.25Å; L60-F64 VanDerWaalsContact O-N 3.12Å
61	W	90.5	Very high	82.4	Confident	31 Å²	31	73.8 Å²	73.8	12%	0.117	35%	0.349	C	S	.	.	H	α-helix	trans	-54.9	-42.8	-175.8	-67	-5.7	0	0	0	114.3	E58 I63 F64 R65 C148 V149 G152	E58-W61 HydrophobicContact CB-CD2 4.13Å; E58-W61 HydrophobicContact CB-CE3 4.26Å; E58-W61 HydrophobicContact CB-CZ2 4.4Å; E58-W61 HydrophobicContact CB-CZ3 4.47Å; E58-W61 HydrophobicContact CG-CD2 4.11Å; E58-W61 HydrophobicContact CG-CE3 4.2Å; E58-W61 HydrophobicContact CG-CH2 3.64Å; E58-W61 HydrophobicContact CG-CZ2 3.5Å; E58-W61 VanDerWaalsContact CG-CZ2 3.5Å; E58-W61 HydrophobicContact CG-CZ3 3.97Å; E58-W61 WeakPolarHBondContact O-CB 3.29Å; E58-W61 PolarHBondContact O-N 3.34Å; E58-W61 VanDerWaalsContact O-N 3.12Å; W61-I63 VanDerWaalsContact C-N 3.28Å; W61-I63 PolarHBondContact O-N 2.9Å; W61-F64 PolarHBondContact O-N 3.18Å; W61-R65 WeakPolarHBondContact O-CG 3.45Å; W61-R65 PolarHBondContact O-N 3.49Å; W61-C148 WeakPolarHBondContact CZ2-O 3.46Å; W61-V149 PolarHBondContact NE1-O 2.96Å; W61-G152 VanDerWaalsContact CD2-CA 3.45Å
62	P	90.4	Very high	84	Confident	62 Å²	62	72.3 Å²	72.3	40%	0.403	34%	0.34	S	S	.	.	H	α-helix	trans	-58.9	-38.8	176.6	-24.1	36	0	0	0	112.7	A59 L60 R65 I66	A59-P62 VanDerWaalsContact O-CD 3.24Å; A59-P62 WeakPolarHBondContact O-CD 3.27Å; L60-P62 VanDerWaalsContact C-CD 3.46Å; P62-R65 PolarHBondContact O-N 3.22Å; P62-I66 WeakPolarHBondContact O-CD1 3.41Å; P62-I66 VanDerWaalsContact O-CG1 3.28Å; P62-I66 WeakPolarHBondContact O-CG1 3.37Å; P62-I66 PolarHBondContact O-N 2.98Å
63	I	91.1	Very high	85.8	Confident	36 Å²	36	66.3 Å²	66.3	19%	0.185	31%	0.31	C	S	.	.	H	α-helix	trans	-66.8	-43.7	177.4	-67.4	-64.6	0	0	0	110.9	M27 R31 I34 L60 W61 R65 I66 H67	M27-I63 HydrophobicContact CE-CG2 4.32Å; M27-I63 WeakPolarHBondContact CE-O 3.01Å; M27-I63 WeakPolarHBondContact O-CD1 3.46Å; M27-I63 HydrophobicContact SD-CB 4.38Å; M27-I63 HydrophobicContact SD-CD1 3.54Å; M27-I63 VanDerWaalsContact SD-CD1 3.54Å; M27-I63 HydrophobicContact SD-CG2 3.89Å; R31-I63 HydrophobicContact CG-CD1 4.03Å; I34-I63 HydrophobicContact CD1-CB 4.21Å; I34-I63 HydrophobicContact CD1-CD1 4.2Å; I34-I63 HydrophobicContact CD1-CG1 3.2Å; L60-I63 WeakPolarHBondContact O-CB 3.43Å; L60-I63 PolarHBondContact O-N 3.42Å; W61-I63 VanDerWaalsContact C-N 3.28Å; W61-I63 PolarHBondContact O-N 2.9Å; I63-R65 VanDerWaalsContact C-N 3.28Å; I63-R65 PolarHBondContact O-N 2.86Å; I63-I66 PolarHBondContact O-N 2.88Å; I63-H67 VanDerWaalsContact O-CB 3.26Å; I63-H67 WeakPolarHBondContact O-CB 3.38Å; I63-H67 PolarHBondContact O-N 2.95Å
64	F	90.8	Very high	87.5	Confident	71 Å²	71	63.2 Å²	63.2	31%	0.311	28%	0.278	S	S	.	.	H	α-helix	trans	-60	-39.1	175.1	-79.6	-71.2	0	0	0	112.4	L60 W61 H67 H68 C151	L60-F64 HydrophobicContact CB-CD2 4.06Å; L60-F64 HydrophobicContact CB-CE2 3.88Å; L60-F64 HydrophobicContact CD1-CE2 4.49Å; L60-F64 WeakPolarHBondContact O-CD2 3.3Å; L60-F64 PolarHBondContact O-N 3.25Å; L60-F64 VanDerWaalsContact O-N 3.12Å; W61-F64 PolarHBondContact O-N 3.18Å; F64-H67 PolarHBondContact O-N 3.16Å; F64-H68 WeakPolarHBondContact O-CB 3.27Å; F64-H68 PolarHBondContact O-N 3.34Å; F64-C151 HydrophobicContact CB-CB 3.85Å; F64-C151 HydrophobicContact CG-CB 4.19Å
65	R	90.9	Very high	89.1	Confident	123 Å²	123	57.2 Å²	57.2	46%	0.464	26%	0.255	S	S	.	.	H	α-helix	trans	-64.2	-47.2	176.6	-70.4	177.7	-173.8	174.3	3.5	111.9	W61 P62 I63 H67 H68 Q69 G152	W61-R65 WeakPolarHBondContact O-CG 3.45Å; W61-R65 PolarHBondContact O-N 3.49Å; P62-R65 PolarHBondContact O-N 3.22Å; I63-R65 VanDerWaalsContact C-N 3.28Å; I63-R65 PolarHBondContact O-N 2.86Å; R65-H67 VanDerWaalsContact C-N 3.29Å; R65-H67 PolarHBondContact O-N 3.34Å; R65-H68 PolarHBondContact O-N 3.01Å; R65-Q69 WeakPolarHBondContact O-CB 3.49Å; R65-Q69 VanDerWaalsContact O-CG 3.29Å; R65-Q69 WeakPolarHBondContact O-CG 3.31Å; R65-Q69 PolarHBondContact O-N 3.32Å; R65-G152 PolarHBondContact NH2-O 3.4Å
66	I	92.8	Very high	90.2	Very high	20 Å²	20	51.9 Å²	51.9	10%	0.103	24%	0.238	C	C	.	.	H	α-helix	trans	-65.3	-37.9	178	-58.6	158.3	0	0	0	110.1	F23 K26 M27 P62 I63 H68 Q69 R70	F23-I66 HydrophobicContact CB-CG2 4.48Å; F23-I66 HydrophobicContact CD1-CG2 4.15Å; K26-I66 HydrophobicContact CB-CD1 3.94Å; K26-I66 HydrophobicContact CB-CG1 4.43Å; K26-I66 HydrophobicContact CB-CG2 4.31Å; K26-I66 WeakPolarHBondContact O-CD1 3.32Å; M27-I66 HydrophobicContact CE-CB 3.71Å; M27-I66 HydrophobicContact CE-CG2 3.72Å; M27-I66 HydrophobicContact CG-CB 4.3Å; M27-I66 HydrophobicContact CG-CG2 3.66Å; M27-I66 HydrophobicContact SD-CB 3.76Å; M27-I66 HydrophobicContact SD-CD1 4.27Å; M27-I66 HydrophobicContact SD-CG2 3.79Å; P62-I66 WeakPolarHBondContact O-CD1 3.41Å; P62-I66 VanDerWaalsContact O-CG1 3.28Å; P62-I66 WeakPolarHBondContact O-CG1 3.37Å; P62-I66 PolarHBondContact O-N 2.98Å; I63-I66 PolarHBondContact O-N 2.88Å; I66-H68 PolarHBondContact O-N 2.92Å; I66-Q69 PolarHBondContact O-N 3.03Å; I66-R70 VanDerWaalsContact O-CB 3.29Å; I66-R70 WeakPolarHBondContact O-CB 3.47Å; I66-R70 PolarHBondContact O-N 3.29Å
67	H	92.4	Very high	91.1	Very high	54 Å²	54	46.1 Å²	46.1	25%	0.25	22%	0.217	C	C	.	.	H	α-helix	trans	-61.3	-46.2	178.2	179.9	-97.2	0	0	0	111.5	M27 I63 F64 R65 S71 D99	M27-H67 HydrophobicContact CE-CB 3.62Å; I63-H67 VanDerWaalsContact O-CB 3.26Å; I63-H67 WeakPolarHBondContact O-CB 3.38Å; I63-H67 PolarHBondContact O-N 2.95Å; F64-H67 PolarHBondContact O-N 3.16Å; R65-H67 VanDerWaalsContact C-N 3.29Å; R65-H67 PolarHBondContact O-N 3.34Å; H67-S71 WeakPolarHBondContact O-CB 3.42Å; H67-S71 PolarHBondContact O-N 3.38Å; H67-S71 PolarHBondContact O-OG 3.45Å; H67-D99 VanDerWaalsContact CE1-CB 3.44Å; H67-D99 WeakPolarHBondContact CE1-CB 3.33Å; H67-D99 IonicContact CE1-OD2 3.25Å; H67-D99 PolarHBondContact CE1-OD2 3.36Å
68	H	93	Very high	91.8	Very high	48 Å²	48	45.2 Å²	45.2	22%	0.222	21%	0.208	C	C	.	.	H	α-helix	trans	-60.9	-49.9	174	171.4	-94.4	0	0	0	111.4	F64 R65 I66 R70 S71 R72 W106 C115	F64-H68 WeakPolarHBondContact O-CB 3.27Å; F64-H68 PolarHBondContact O-N 3.34Å; R65-H68 PolarHBondContact O-N 3.01Å; I66-H68 PolarHBondContact O-N 2.92Å; H68-R70 PolarHBondContact O-N 2.93Å; H68-S71 PolarHBondContact O-N 2.96Å; H68-R72 VanDerWaalsContact O-CB 3.27Å; H68-R72 WeakPolarHBondContact O-CB 3.04Å; H68-R72 PolarHBondContact O-N 2.84Å; H68-W106 AromaticContact CD2-CZ2 3.68Å; H68-W106 AromaticContact NE2-CZ2 3.76Å; H68-C115 PolarHBondContact CD2-O 2.85Å
69	Q	93	Very high	92.1	Very high	98 Å²	98	47.3 Å²	47.3	46%	0.458	22%	0.215	S	C	.	.	H	α-helix	trans	-59.1	-46.4	179.9	-74.4	172.9	-4.4	0	0	112.2	F23 R65 I66 R72 Y73	F23-Q69 HydrophobicContact CE1-CB 3.93Å; R65-Q69 WeakPolarHBondContact O-CB 3.49Å; R65-Q69 VanDerWaalsContact O-CG 3.29Å; R65-Q69 WeakPolarHBondContact O-CG 3.31Å; R65-Q69 PolarHBondContact O-N 3.32Å; I66-Q69 PolarHBondContact O-N 3.03Å; Q69-R72 PolarHBondContact O-N 3.31Å; Q69-Y73 WeakPolarHBondContact O-CB 3.42Å; Q69-Y73 PolarHBondContact O-N 3.12Å
70	R	94.4	Very high	92.4	Very high	30 Å²	30	53 Å²	53	11%	0.113	24%	0.236	C	C	.	.	H	α-helix	trans	-60.9	-46.6	177.8	-173.7	-178.8	67.5	159.7	11.5	111.8	L20 F23 I66 H68 R72 Y73 I74 K96 L97	L20-R70 HydrophobicContact CD2-CG 4.23Å; F23-R70 HydrophobicContact CB-CB 4.16Å; F23-R70 HydrophobicContact CB-CG 4Å; F23-R70 HydrophobicContact CD1-CB 4.35Å; F23-R70 HydrophobicContact CD2-CB 4.21Å; F23-R70 HydrophobicContact CD2-CG 4.1Å; F23-R70 HydrophobicContact CG-CB 4Å; F23-R70 HydrophobicContact CG-CG 4.13Å; I66-R70 VanDerWaalsContact O-CB 3.29Å; I66-R70 WeakPolarHBondContact O-CB 3.47Å; I66-R70 PolarHBondContact O-N 3.29Å; H68-R70 PolarHBondContact O-N 2.93Å; R70-R72 VanDerWaalsContact C-N 3.34Å; R70-R72 PolarHBondContact O-N 3.41Å; R70-Y73 PolarHBondContact O-N 3.33Å; R70-I74 PolarHBondContact O-N 3.18Å; R70-K96 PolarHBondContact NH2-O 3.2Å; R70-L97 WeakPolarHBondContact CD-O 3.36Å; R70-L97 PolarHBondContact NE-O 3.48Å; R70-L97 PolarHBondContact NH2-O 3.14Å
71	S	94.6	Very high	92.6	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.5	-37.5	177.9	-57.6	0	0	0	0	111.8	H67 H68 Y75 D99	H67-S71 WeakPolarHBondContact O-CB 3.42Å; H67-S71 PolarHBondContact O-N 3.38Å; H67-S71 PolarHBondContact O-OG 3.45Å; H68-S71 PolarHBondContact O-N 2.96Å; S71-Y75 WeakPolarHBondContact O-CB 3.43Å; S71-Y75 PolarHBondContact O-N 3.35Å; S71-D99 PolarHBondContact OG-N 3.39Å; S71-D99 VanDerWaalsContact OG-N 3.16Å
72	R	94	Very high	92.6	Very high	45 Å²	45	65 Å²	65	17%	0.17	28%	0.282	C	S	.	.	H	α-helix	trans	-67.9	-39.7	178	-172.5	60.7	171.5	-149.4	-9.1	111.6	H68 Q69 R70 Y75 E76 W106 E112	H68-R72 VanDerWaalsContact O-CB 3.27Å; H68-R72 WeakPolarHBondContact O-CB 3.04Å; H68-R72 PolarHBondContact O-N 2.84Å; Q69-R72 PolarHBondContact O-N 3.31Å; R70-R72 VanDerWaalsContact C-N 3.34Å; R70-R72 PolarHBondContact O-N 3.41Å; R72-Y75 WeakPolarHBondContact O-CB 3.48Å; R72-Y75 PolarHBondContact O-N 3.43Å; R72-E76 HydrophobicContact CG-CG 4.31Å; R72-E76 IonicContact NE-OE1 2.84Å; R72-E76 PolarHBondContact NE-OE1 2.88Å; R72-E76 WeakPolarHBondContact O-CG 3.24Å; R72-E76 PolarHBondContact O-N 3.41Å; R72-W106 HydrophobicContact CB-CH2 3.84Å; R72-W106 HydrophobicContact CB-CZ3 4.31Å; R72-E112 PolarHBondContact NH1-O 3.26Å
73	Y	94.7	Very high	92.6	Very high	56 Å²	56	65 Å²	65	22%	0.22	29%	0.287	C	S	.	.	H	α-helix	trans	-57.4	-50.3	175.9	177.8	-105.1	0	0	0	111.6	S19 L20 F23 Q69 R70 Y75 E76 L77	S19-Y73 WeakPolarHBondContact CB-OH 3.35Å; S19-Y73 PolarHBondContact OG-OH 3.09Å; L20-Y73 HydrophobicContact CD2-CD1 4.49Å; F23-Y73 HydrophobicContact CE2-CD1 4.01Å; F23-Y73 HydrophobicContact CE2-CD2 4.47Å; F23-Y73 AromaticContact CE2-CG 3.89Å; F23-Y73 HydrophobicContact CE2-CG 3.89Å; F23-Y73 HydrophobicContact CZ-CG 4.47Å; Q69-Y73 WeakPolarHBondContact O-CB 3.42Å; Q69-Y73 PolarHBondContact O-N 3.12Å; R70-Y73 PolarHBondContact O-N 3.33Å; Y73-Y75 VanDerWaalsContact C-N 3.34Å; Y73-Y75 PolarHBondContact O-N 2.78Å; Y73-E76 PolarHBondContact O-N 2.86Å; Y73-L77 HydrophobicContact CD1-CD1 3.8Å; Y73-L77 HydrophobicContact CE1-CD1 3.32Å; Y73-L77 HydrophobicContact CE1-CG 4.33Å; Y73-L77 HydrophobicContact CE2-CD1 4.21Å; Y73-L77 HydrophobicContact CE2-CG 4.43Å; Y73-L77 HydrophobicContact CG-CD1 4.4Å; Y73-L77 WeakPolarHBondContact O-CG 3.32Å; Y73-L77 PolarHBondContact O-N 2.76Å
74	I	93.7	Very high	92.6	Very high	2 Å²	2	64 Å²	64	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-62.1	-41.8	176.9	-67.2	165.8	0	0	0	111.2	L20 R70 E76 L77 F78 I84 Y89 C92 L97 A98	L20-I74 HydrophobicContact CD2-CD1 3.84Å; L20-I74 HydrophobicContact CD2-CG1 4.1Å; R70-I74 PolarHBondContact O-N 3.18Å; I74-E76 PolarHBondContact O-N 3.37Å; I74-L77 PolarHBondContact O-N 2.86Å; I74-F78 PolarHBondContact O-N 2.95Å; I74-I84 HydrophobicContact CG2-CD1 4.5Å; I74-Y89 HydrophobicContact CG2-CD2 3.9Å; I74-Y89 HydrophobicContact CG2-CE2 4.03Å; I74-C92 HydrophobicContact CD1-CB 4.24Å; I74-C92 HydrophobicContact CG2-CB 4.32Å; I74-L97 HydrophobicContact CD1-CB 4.09Å; I74-A98 HydrophobicContact CB-CB 4.15Å; I74-A98 HydrophobicContact CD1-CB 3.61Å; I74-A98 HydrophobicContact CG1-CB 4.47Å; I74-A98 HydrophobicContact CG2-CB 4.11Å
75	Y	93.8	Very high	92.7	Very high	34 Å²	34	63.1 Å²	63.1	13%	0.133	28%	0.284	C	S	.	.	H	α-helix	trans	-60.1	-45.8	176.5	176.6	-97.3	0	0	0	112.6	S71 R72 Y73 F78 Y79 I103 W106	S71-Y75 WeakPolarHBondContact O-CB 3.43Å; S71-Y75 PolarHBondContact O-N 3.35Å; R72-Y75 WeakPolarHBondContact O-CB 3.48Å; R72-Y75 PolarHBondContact O-N 3.43Å; Y73-Y75 VanDerWaalsContact C-N 3.34Å; Y73-Y75 PolarHBondContact O-N 2.78Å; Y75-F78 PolarHBondContact O-N 2.88Å; Y75-Y79 AromaticContact CD2-CD2 3.31Å; Y75-Y79 HydrophobicContact CD2-CD2 3.31Å; Y75-Y79 AromaticContact CD2-CE2 3.72Å; Y75-Y79 HydrophobicContact CD2-CE2 3.72Å; Y75-Y79 HydrophobicContact CD2-CG 4.34Å; Y75-Y79 AromaticContact CE2-CD2 3.2Å; Y75-Y79 HydrophobicContact CE2-CD2 3.2Å; Y75-Y79 AromaticContact CE2-CE2 3.59Å; Y75-Y79 HydrophobicContact CE2-CE2 3.59Å; Y75-Y79 AromaticContact CE2-CG 3.92Å; Y75-Y79 HydrophobicContact CE2-CG 3.92Å; Y75-Y79 HydrophobicContact CG-CD2 4.08Å; Y75-Y79 AromaticContact CZ-CD2 3.89Å; Y75-Y79 WeakPolarHBondContact O-CB 3.15Å; Y75-Y79 PolarHBondContact O-N 2.86Å; Y75-I103 HydrophobicContact CD2-CG1 4.34Å; Y75-I103 HydrophobicContact CD2-CG2 3.66Å; Y75-I103 HydrophobicContact CE2-CG2 4.12Å; Y75-W106 HydrophobicContact CD1-CE3 4.13Å; Y75-W106 AromaticContact CD2-CE3 3.89Å; Y75-W106 HydrophobicContact CD2-CE3 3.89Å; Y75-W106 HydrophobicContact CE2-CB 4.34Å; Y75-W106 HydrophobicContact CE2-CE3 4.45Å; Y75-W106 AromaticContact CG-CE3 3.7Å; Y75-W106 HydrophobicContact CG-CE3 3.7Å; Y75-W106 HydrophobicContact CG-CZ3 4.04Å
76	E	93.7	Very high	92.8	Very high	53 Å²	53	65 Å²	65	25%	0.248	30%	0.296	C	S	.	.	H	α-helix	trans	-70.2	-35.7	-178.9	-69.5	-170.9	157.9	0	0	112.5	R72 Y73 I74 F78 K80 R81	R72-E76 HydrophobicContact CG-CG 4.31Å; R72-E76 IonicContact NE-OE1 2.84Å; R72-E76 PolarHBondContact NE-OE1 2.88Å; R72-E76 WeakPolarHBondContact O-CG 3.24Å; R72-E76 PolarHBondContact O-N 3.41Å; Y73-E76 PolarHBondContact O-N 2.86Å; I74-E76 PolarHBondContact O-N 3.37Å; E76-F78 VanDerWaalsContact C-N 3.34Å; E76-F78 PolarHBondContact O-N 3.42Å; E76-K80 HydrophobicContact CB-CD 4.3Å; E76-K80 HydrophobicContact CG-CD 3.92Å; E76-K80 WeakPolarHBondContact O-CA 3.25Å; E76-K80 WeakPolarHBondContact O-CB 3.39Å; E76-K80 PolarHBondContact O-N 3.48Å; E76-K80 IonicContact OE1-NZ 3.42Å; E76-K80 PolarHBondContact OE1-NZ 3.3Å; E76-R81 PolarHBondContact O-N 3.33Å
77	L	93.5	Very high	92.7	Very high	13 Å²	13	71.1 Å²	71.1	7%	0.068	32%	0.324	C	S	.	.	H	α-helix	trans	-60	-42.7	173.2	-76.2	172.7	0	0	0	112.2	I16 Y73 I74 K82 A83 I84	I16-L77 HydrophobicContact CG2-CD1 3.61Å; Y73-L77 HydrophobicContact CD1-CD1 3.8Å; Y73-L77 HydrophobicContact CE1-CD1 3.32Å; Y73-L77 HydrophobicContact CE1-CG 4.33Å; Y73-L77 HydrophobicContact CE2-CD1 4.21Å; Y73-L77 HydrophobicContact CE2-CG 4.43Å; Y73-L77 HydrophobicContact CG-CD1 4.4Å; Y73-L77 WeakPolarHBondContact O-CG 3.32Å; Y73-L77 PolarHBondContact O-N 2.76Å; I74-L77 PolarHBondContact O-N 2.86Å; L77-K82 WeakPolarHBondContact O-CA 3.12Å; L77-K82 PolarHBondContact O-N 3.35Å; L77-A83 HydrophobicContact CD2-CB 4.23Å; L77-A83 PolarHBondContact O-N 3.33Å; L77-I84 HydrophobicContact CB-CD1 3.86Å; L77-I84 HydrophobicContact CB-CG1 4Å; L77-I84 HydrophobicContact CB-CG2 4.3Å; L77-I84 HydrophobicContact CD1-CG2 4.48Å
78	F	93.2	Very high	92.7	Very high	47 Å²	47	68.6 Å²	68.6	21%	0.206	31%	0.312	C	S	.	.	H	α-helix	trans	-78.9	-51	-179.2	-173.3	-112.2	0	0	0	112.7	I74 Y75 E76 K82 I84 K86 Y89	I74-F78 PolarHBondContact O-N 2.95Å; Y75-F78 PolarHBondContact O-N 2.88Å; E76-F78 VanDerWaalsContact C-N 3.34Å; E76-F78 PolarHBondContact O-N 3.42Å; F78-K82 WeakPolarHBondContact O-CA 3.34Å; F78-I84 HydrophobicContact CB-CD1 3.87Å; F78-I84 HydrophobicContact CB-CG1 3.89Å; F78-I84 HydrophobicContact CD2-CG1 4.11Å; F78-K86 HydrophobicContact CE2-CB 4.22Å; F78-K86 HydrophobicContact CZ-CB 4.47Å; F78-K86 HydrophobicContact CZ-CG 4.48Å; F78-Y89 HydrophobicContact CB-CD2 3.67Å; F78-Y89 HydrophobicContact CB-CE2 4.16Å; F78-Y89 HydrophobicContact CB-CG 4.26Å; F78-Y89 HydrophobicContact CD1-CD1 4.34Å; F78-Y89 HydrophobicContact CD1-CD2 4.08Å; F78-Y89 HydrophobicContact CD1-CE1 4.49Å; F78-Y89 HydrophobicContact CD1-CE2 4.24Å; F78-Y89 HydrophobicContact CD1-CG 4.13Å; F78-Y89 HydrophobicContact CD2-CD2 4.24Å; F78-Y89 AromaticContact CD2-CG 3.95Å; F78-Y89 HydrophobicContact CD2-CG 3.95Å; F78-Y89 HydrophobicContact CE1-CD1 4.33Å; F78-Y89 HydrophobicContact CE1-CG 4.48Å; F78-Y89 HydrophobicContact CE2-CG 4.32Å; F78-Y89 HydrophobicContact CG-CD1 4.47Å; F78-Y89 AromaticContact CG-CD2 3.74Å; F78-Y89 HydrophobicContact CG-CD2 3.74Å; F78-Y89 HydrophobicContact CG-CE2 4.29Å; F78-Y89 AromaticContact CG-CG 3.84Å; F78-Y89 HydrophobicContact CG-CG 3.84Å; F78-Y89 HydrophobicContact CZ-CD1 4.47Å
79	Y	92.3	Very high	92.6	Very high	86 Å²	86	67 Å²	67	34%	0.337	30%	0.304	S	S	.	.	H	α-helix	trans	-86.1	-40.5	-170.7	-77.1	-74.2	0	0	0	114.2	Y75 K107	Y75-Y79 AromaticContact CD2-CD2 3.31Å; Y75-Y79 HydrophobicContact CD2-CD2 3.31Å; Y75-Y79 AromaticContact CD2-CE2 3.72Å; Y75-Y79 HydrophobicContact CD2-CE2 3.72Å; Y75-Y79 HydrophobicContact CD2-CG 4.34Å; Y75-Y79 AromaticContact CE2-CD2 3.2Å; Y75-Y79 HydrophobicContact CE2-CD2 3.2Å; Y75-Y79 AromaticContact CE2-CE2 3.59Å; Y75-Y79 HydrophobicContact CE2-CE2 3.59Å; Y75-Y79 AromaticContact CE2-CG 3.92Å; Y75-Y79 HydrophobicContact CE2-CG 3.92Å; Y75-Y79 HydrophobicContact CG-CD2 4.08Å; Y75-Y79 AromaticContact CZ-CD2 3.89Å; Y75-Y79 WeakPolarHBondContact O-CB 3.15Å; Y75-Y79 PolarHBondContact O-N 2.86Å; Y79-K107 WeakPolarHBondContact OH-CE 3.25Å; Y79-K107 PolarHBondContact OH-NZ 2.98Å
80	K	90.7	Very high	92.6	Very high	132 Å²	132	66.5 Å²	66.5	57%	0.574	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-56.3	-176.3	-63.4	-175.5	178.8	173.3	0	111.3	E76	E76-K80 HydrophobicContact CB-CD 4.3Å; E76-K80 HydrophobicContact CG-CD 3.92Å; E76-K80 WeakPolarHBondContact O-CA 3.25Å; E76-K80 WeakPolarHBondContact O-CB 3.39Å; E76-K80 PolarHBondContact O-N 3.48Å; E76-K80 IonicContact OE1-NZ 3.42Å; E76-K80 PolarHBondContact OE1-NZ 3.3Å
81	R	91.6	Very high	92.4	Very high	182 Å²	182	66.2 Å²	66.2	69%	0.687	30%	0.301	S	S	*	.	S	Bend	trans	-83.3	-22.7	-174.3	-59.5	-174.9	-176.1	-155.9	1	113.1	E76 A83	E76-R81 PolarHBondContact O-N 3.33Å; R81-A83 HydrophobicContact CB-CB 4.21Å; R81-A83 PolarHBondContact O-N 3.05Å; R81-A83 VanDerWaalsContact O-N 3.14Å
82	K	90	Very high	92.2	Very high	174 Å²	174	66.2 Å²	66.2	76%	0.757	30%	0.301	S	S	*	.			trans	50.1	33.9	-174.3	-59	179.1	179.9	177.8	0	112.8	L77 F78	L77-K82 WeakPolarHBondContact O-CA 3.12Å; L77-K82 PolarHBondContact O-N 3.35Å; F78-K82 WeakPolarHBondContact O-CA 3.34Å
83	A	90.3	Very high	92.1	Very high	61 Å²	61	65.7 Å²	65.7	50%	0.504	30%	0.302	S	S	.	.			trans	-84.7	-13.3	-175.1	0	0	0	0	0	112.9	L77 R81	L77-A83 HydrophobicContact CD2-CB 4.23Å; L77-A83 PolarHBondContact O-N 3.33Å; R81-A83 HydrophobicContact CB-CB 4.21Å; R81-A83 PolarHBondContact O-N 3.05Å; R81-A83 VanDerWaalsContact O-N 3.14Å
84	I	91.5	Very high	91.9	Very high	15 Å²	15	68.2 Å²	68.2	8%	0.077	32%	0.319	C	S	.	.	S	Bend	trans	-119.4	142.3	-177.9	57.6	171.7	0	0	0	110.8	I16 I74 L77 F78 L88 Y89	I16-I84 HydrophobicContact CG2-CG2 3.86Å; I74-I84 HydrophobicContact CG2-CD1 4.5Å; L77-I84 HydrophobicContact CB-CD1 3.86Å; L77-I84 HydrophobicContact CB-CG1 4Å; L77-I84 HydrophobicContact CB-CG2 4.3Å; L77-I84 HydrophobicContact CD1-CG2 4.48Å; F78-I84 HydrophobicContact CB-CD1 3.87Å; F78-I84 HydrophobicContact CB-CG1 3.89Å; F78-I84 HydrophobicContact CD2-CG1 4.11Å; I84-L88 HydrophobicContact CB-CD2 3.94Å; I84-L88 HydrophobicContact CG2-CD2 3.75Å; I84-Y89 HydrophobicContact CD1-CD2 4.31Å
85	S	93.2	Very high	91.7	Very high	52 Å²	52	70 Å²	70	36%	0.364	33%	0.329	S	S	.	.			trans	-68.6	159.7	176.5	70.9	0	0	0	0	111.3	E87 L88 Y89	S85-E87 PolarHBondContact O-N 3.12Å; S85-L88 PolarHBondContact O-N 3.46Å; S85-L88 WeakPolarHBondContact OG-CB 3.21Å; S85-L88 PolarHBondContact OG-N 2.99Å; S85-L88 VanDerWaalsContact OG-N 3.15Å; S85-Y89 WeakPolarHBondContact O-CB 3.31Å; S85-Y89 PolarHBondContact O-N 3.24Å
86	K	92.4	Very high	91.4	Very high	163 Å²	163	76.6 Å²	76.6	71%	0.709	36%	0.358	S	S	*	.	H	α-helix	trans	-60.7	-35.6	174.7	-175	-177.1	175.1	-172.1	0	111.8	F78 Y89 Q90	F78-K86 HydrophobicContact CE2-CB 4.22Å; F78-K86 HydrophobicContact CZ-CB 4.47Å; F78-K86 HydrophobicContact CZ-CG 4.48Å; K86-Y89 PolarHBondContact O-N 3.21Å; K86-Q90 WeakPolarHBondContact O-CB 3.41Å; K86-Q90 PolarHBondContact O-N 2.82Å
87	E	91.8	Very high	91.1	Very high	148 Å²	148	74.3 Å²	74.3	69%	0.692	35%	0.348	S	S	*	.	H	α-helix	trans	-65.4	-46.9	177.6	-62.4	-176.6	175.3	0	0	111.5	S85 Y89 Q90 F91	S85-E87 PolarHBondContact O-N 3.12Å; E87-Y89 VanDerWaalsContact C-N 3.32Å; E87-Y89 PolarHBondContact O-N 3.37Å; E87-Q90 PolarHBondContact O-N 3.25Å; E87-F91 WeakPolarHBondContact O-CB 3.41Å; E87-F91 PolarHBondContact O-N 3.24Å
88	L	91.3	Very high	91	Very high	1 Å²	1	74 Å²	74	1%	0.005	35%	0.347	C	S	.	.	H	α-helix	trans	-63.7	-38.9	176.5	-172.8	63.8	0	0	0	111.9	P10 W13 I16 I84 S85 F91 C92	P10-L88 HydrophobicContact CB-CB 4.44Å; P10-L88 HydrophobicContact CB-CD1 4.13Å; P10-L88 HydrophobicContact CG-CD1 4.23Å; W13-L88 HydrophobicContact CB-CD1 4.02Å; W13-L88 HydrophobicContact CE3-CD1 3.84Å; I16-L88 HydrophobicContact CD1-CD1 4.1Å; I16-L88 HydrophobicContact CD1-CD2 3.82Å; I16-L88 HydrophobicContact CD1-CG 3.92Å; I16-L88 HydrophobicContact CG1-CD2 4.39Å; I84-L88 HydrophobicContact CB-CD2 3.94Å; I84-L88 HydrophobicContact CG2-CD2 3.75Å; S85-L88 PolarHBondContact O-N 3.46Å; S85-L88 WeakPolarHBondContact OG-CB 3.21Å; S85-L88 PolarHBondContact OG-N 2.99Å; S85-L88 VanDerWaalsContact OG-N 3.15Å; L88-F91 WeakPolarHBondContact O-CB 3.37Å; L88-F91 PolarHBondContact O-N 3.1Å; L88-C92 PolarHBondContact O-N 3.07Å; L88-C92 PolarHBondContact O-SG 2.93Å
89	Y	92	Very high	90.9	Very high	14 Å²	14	73.4 Å²	73.4	6%	0.055	35%	0.346	C	S	.	.	H	α-helix	trans	-63.1	-46.1	174.8	175.2	-97.3	0	0	0	112.2	I74 F78 I84 S85 K86 E87 F91 C92 L93 I103	I74-Y89 HydrophobicContact CG2-CD2 3.9Å; I74-Y89 HydrophobicContact CG2-CE2 4.03Å; F78-Y89 HydrophobicContact CB-CD2 3.67Å; F78-Y89 HydrophobicContact CB-CE2 4.16Å; F78-Y89 HydrophobicContact CB-CG 4.26Å; F78-Y89 HydrophobicContact CD1-CD1 4.34Å; F78-Y89 HydrophobicContact CD1-CD2 4.08Å; F78-Y89 HydrophobicContact CD1-CE1 4.49Å; F78-Y89 HydrophobicContact CD1-CE2 4.24Å; F78-Y89 HydrophobicContact CD1-CG 4.13Å; F78-Y89 HydrophobicContact CD2-CD2 4.24Å; F78-Y89 AromaticContact CD2-CG 3.95Å; F78-Y89 HydrophobicContact CD2-CG 3.95Å; F78-Y89 HydrophobicContact CE1-CD1 4.33Å; F78-Y89 HydrophobicContact CE1-CG 4.48Å; F78-Y89 HydrophobicContact CE2-CG 4.32Å; F78-Y89 HydrophobicContact CG-CD1 4.47Å; F78-Y89 AromaticContact CG-CD2 3.74Å; F78-Y89 HydrophobicContact CG-CD2 3.74Å; F78-Y89 HydrophobicContact CG-CE2 4.29Å; F78-Y89 AromaticContact CG-CG 3.84Å; F78-Y89 HydrophobicContact CG-CG 3.84Å; F78-Y89 HydrophobicContact CZ-CD1 4.47Å; I84-Y89 HydrophobicContact CD1-CD2 4.31Å; S85-Y89 WeakPolarHBondContact O-CB 3.31Å; S85-Y89 PolarHBondContact O-N 3.24Å; K86-Y89 PolarHBondContact O-N 3.21Å; E87-Y89 VanDerWaalsContact C-N 3.32Å; E87-Y89 PolarHBondContact O-N 3.37Å; Y89-F91 VanDerWaalsContact C-N 3.34Å; Y89-C92 WeakPolarHBondContact O-CB 3.22Å; Y89-C92 PolarHBondContact O-N 3.06Å; Y89-L93 HydrophobicContact CD1-CD1 4.16Å; Y89-L93 HydrophobicContact CE1-CD1 3.47Å; Y89-L93 VanDerWaalsContact CE1-CD1 3.47Å; Y89-L93 HydrophobicContact CE1-CG 4.22Å; Y89-L93 PolarHBondContact O-N 3.46Å; Y89-I103 HydrophobicContact CE2-CD1 4.47Å; Y89-I103 WeakPolarHBondContact OH-CG2 3.48Å
90	Q	91.5	Very high	90.9	Very high	89 Å²	89	71 Å²	71	42%	0.416	35%	0.347	S	S	.	.	H	α-helix	trans	-63.9	-42.3	177.8	-173.1	59.3	42.5	0	0	111.3	K86 E87 C92 L93 D94	K86-Q90 WeakPolarHBondContact O-CB 3.41Å; K86-Q90 PolarHBondContact O-N 2.82Å; E87-Q90 PolarHBondContact O-N 3.25Å; Q90-C92 VanDerWaalsContact C-N 3.28Å; Q90-C92 PolarHBondContact O-N 3.16Å; Q90-L93 WeakPolarHBondContact O-CB 3.33Å; Q90-L93 PolarHBondContact O-N 2.91Å; Q90-D94 PolarHBondContact NE2-OD1 3.45Å; Q90-D94 VanDerWaalsContact O-CG 3.28Å; Q90-D94 PolarHBondContact O-N 3.29Å
91	F	90.7	Very high	91	Very high	23 Å²	23	67.2 Å²	67.2	10%	0.101	34%	0.341	C	S	.	.	H	α-helix	trans	-56.2	-41.1	174.2	177.6	-91.3	0	0	0	112.9	I4 A6 P10 W13 E87 L88 Y89 L93 D94 N95	I4-F91 HydrophobicContact CG2-CE1 4Å; I4-F91 HydrophobicContact CG2-CZ 3.69Å; A6-F91 HydrophobicContact CB-CD2 4.34Å; A6-F91 HydrophobicContact CB-CE2 3.11Å; A6-F91 HydrophobicContact CB-CZ 3.33Å; P10-F91 HydrophobicContact CG-CB 3.78Å; P10-F91 HydrophobicContact CG-CD1 4.38Å; P10-F91 HydrophobicContact CG-CD2 3.77Å; P10-F91 HydrophobicContact CG-CE2 4.32Å; P10-F91 HydrophobicContact CG-CG 3.75Å; W13-F91 HydrophobicContact CD2-CE1 4.48Å; W13-F91 HydrophobicContact CE3-CD1 4.13Å; W13-F91 AromaticContact CE3-CE1 3.8Å; W13-F91 HydrophobicContact CE3-CE1 3.8Å; W13-F91 HydrophobicContact CH2-CE1 4.48Å; W13-F91 HydrophobicContact CZ3-CD1 4.12Å; W13-F91 AromaticContact CZ3-CE1 3.8Å; W13-F91 HydrophobicContact CZ3-CE1 3.8Å; E87-F91 WeakPolarHBondContact O-CB 3.41Å; E87-F91 PolarHBondContact O-N 3.24Å; L88-F91 WeakPolarHBondContact O-CB 3.37Å; L88-F91 PolarHBondContact O-N 3.1Å; Y89-F91 VanDerWaalsContact C-N 3.34Å; F91-L93 VanDerWaalsContact C-N 3.32Å; F91-L93 PolarHBondContact O-N 2.95Å; F91-D94 PolarHBondContact O-N 2.93Å; F91-N95 WeakPolarHBondContact CZ-ND2 3.35Å; F91-N95 WeakPolarHBondContact O-CB 3.25Å; F91-N95 PolarHBondContact O-N 2.75Å; F91-N95 PolarHBondContact O-ND2 3.35Å
92	C	91	Very high	91.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-63.8	-36.4	175.3	-75.2	0	0	0	0	112.8	I74 L88 Y89 Q90 K96 L97 A98	I74-C92 HydrophobicContact CD1-CB 4.24Å; I74-C92 HydrophobicContact CG2-CB 4.32Å; L88-C92 PolarHBondContact O-N 3.07Å; L88-C92 PolarHBondContact O-SG 2.93Å; Y89-C92 WeakPolarHBondContact O-CB 3.22Å; Y89-C92 PolarHBondContact O-N 3.06Å; Q90-C92 VanDerWaalsContact C-N 3.28Å; Q90-C92 PolarHBondContact O-N 3.16Å; C92-K96 PolarHBondContact O-N 3.2Å; C92-L97 HydrophobicContact CB-CB 4.39Å; C92-L97 WeakPolarHBondContact O-CB 3.49Å; C92-L97 PolarHBondContact O-N 3.03Å; C92-A98 PolarHBondContact O-N 3.46Å
93	L	91.4	Very high	91.3	Very high	34 Å²	34	50.4 Å²	50.4	18%	0.178	27%	0.272	C	S	.	.	H	α-helix	trans	-69.8	-45	175.5	-66.1	178	0	0	0	111.5	Y89 Q90 F91 N95 K96 A98 I103	Y89-L93 HydrophobicContact CD1-CD1 4.16Å; Y89-L93 HydrophobicContact CE1-CD1 3.47Å; Y89-L93 VanDerWaalsContact CE1-CD1 3.47Å; Y89-L93 HydrophobicContact CE1-CG 4.22Å; Y89-L93 PolarHBondContact O-N 3.46Å; Q90-L93 WeakPolarHBondContact O-CB 3.33Å; Q90-L93 PolarHBondContact O-N 2.91Å; F91-L93 VanDerWaalsContact C-N 3.32Å; F91-L93 PolarHBondContact O-N 2.95Å; L93-N95 VanDerWaalsContact C-N 3.31Å; L93-N95 PolarHBondContact O-N 2.89Å; L93-K96 PolarHBondContact O-N 3.12Å; L93-A98 HydrophobicContact CD2-CB 4Å; L93-I103 HydrophobicContact CD2-CD1 4.15Å
94	D	90.3	Very high	91.4	Very high	109 Å²	109	49.9 Å²	49.9	58%	0.583	27%	0.268	S	S	*	.	H	α-helix	trans	-65.2	-36.6	-177.7	-63.5	-18.1	0	0	0	111.7	Q90 F91 K96	Q90-D94 PolarHBondContact NE2-OD1 3.45Å; Q90-D94 VanDerWaalsContact O-CG 3.28Å; Q90-D94 PolarHBondContact O-N 3.29Å; F91-D94 PolarHBondContact O-N 2.93Å; D94-K96 PolarHBondContact O-N 2.86Å
95	N	88.7	Confident	91.4	Very high	41 Å²	41	52.7 Å²	52.7	22%	0.219	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	4.4	173.9	-74.1	-80	0	0	0	113.9	R5 F91 L93 L97	R5-N95 PolarHBondContact N-OD1 3.23Å; F91-N95 WeakPolarHBondContact CZ-ND2 3.35Å; F91-N95 WeakPolarHBondContact O-CB 3.25Å; F91-N95 PolarHBondContact O-N 2.75Å; F91-N95 PolarHBondContact O-ND2 3.35Å; L93-N95 VanDerWaalsContact C-N 3.31Å; L93-N95 PolarHBondContact O-N 2.89Å; N95-L97 HydrophobicContact CB-CD1 4.14Å; N95-L97 HydrophobicContact CB-CG 4.07Å; N95-L97 PolarHBondContact O-N 3.15Å
96	K	87.8	Confident	91.4	Very high	171 Å²	171	50.3 Å²	50.3	74%	0.743	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	31.7	-179.6	-51.8	-177.8	179.4	-177.1	0	113.6	R70 C92 L93 D94	R70-K96 PolarHBondContact NH2-O 3.2Å; C92-K96 PolarHBondContact O-N 3.2Å; L93-K96 PolarHBondContact O-N 3.12Å; D94-K96 PolarHBondContact O-N 2.86Å
97	L	88.5	Confident	91.4	Very high	6 Å²	6	47.8 Å²	47.8	3%	0.031	25%	0.252	C	S	.	.	S	Bend	trans	-77.5	-31.5	173.7	-63	170.2	0	0	0	110.8	W13 L20 R70 I74 C92 N95	W13-L97 HydrophobicContact CH2-CD1 3.57Å; W13-L97 HydrophobicContact CZ3-CD1 3.78Å; L20-L97 HydrophobicContact CD1-CD1 4.19Å; R70-L97 WeakPolarHBondContact CD-O 3.36Å; R70-L97 PolarHBondContact NE-O 3.48Å; R70-L97 PolarHBondContact NH2-O 3.14Å; I74-L97 HydrophobicContact CD1-CB 4.09Å; C92-L97 HydrophobicContact CB-CB 4.39Å; C92-L97 WeakPolarHBondContact O-CB 3.49Å; C92-L97 PolarHBondContact O-N 3.03Å; N95-L97 HydrophobicContact CB-CD1 4.14Å; N95-L97 HydrophobicContact CB-CG 4.07Å; N95-L97 PolarHBondContact O-N 3.15Å
98	A	91.1	Very high	91.4	Very high	5 Å²	5	46 Å²	46	4%	0.041	24%	0.242	C	C	.	.	S	Bend	trans	-120.8	151.6	169.6	0	0	0	0	0	111.6	I74 C92 L93 G100 I103	I74-A98 HydrophobicContact CB-CB 4.15Å; I74-A98 HydrophobicContact CD1-CB 3.61Å; I74-A98 HydrophobicContact CG1-CB 4.47Å; I74-A98 HydrophobicContact CG2-CB 4.11Å; C92-A98 PolarHBondContact O-N 3.46Å; L93-A98 HydrophobicContact CD2-CB 4Å; A98-G100 PolarHBondContact O-N 3.06Å; A98-I103 HydrophobicContact CB-CD1 3.82Å
99	D	91.7	Very high	91.3	Very high	36 Å²	36	51.3 Å²	51.3	19%	0.193	28%	0.277	C	S	.	.			trans	-83.1	102	171.7	-175.6	-17.4	0	0	0	110.7	H67 S71 A101 L102 I103	H67-D99 VanDerWaalsContact CE1-CB 3.44Å; H67-D99 WeakPolarHBondContact CE1-CB 3.33Å; H67-D99 IonicContact CE1-OD2 3.25Å; H67-D99 PolarHBondContact CE1-OD2 3.36Å; S71-D99 PolarHBondContact OG-N 3.39Å; S71-D99 VanDerWaalsContact OG-N 3.16Å; D99-A101 VanDerWaalsContact C-N 3.26Å; D99-A101 PolarHBondContact O-N 2.07Å; D99-A101 WeakPolarHBondContact OD1-CA 3.45Å; D99-A101 WeakPolarHBondContact OD1-CB 3.46Å; D99-A101 PolarHBondContact OD1-N 3.22Å; D99-L102 HydrophobicContact CB-CB 3.84Å; D99-L102 PolarHBondContact O-N 3.5Å; D99-L102 PolarHBondContact OD1-N 3.05Å; D99-I103 WeakPolarHBondContact O-CG1 3.23Å; D99-I103 PolarHBondContact O-N 3.35Å
100	G	92.3	Very high	91.1	Very high	34 Å²	34	53.3 Å²	53.3	35%	0.351	30%	0.301	S	S	.	.	H	α-helix	trans	-62.2	-30.6	177.3	0	0	0	0	0	113.7	A98 A104	A98-G100 PolarHBondContact O-N 3.06Å; G100-A104 VanDerWaalsContact O-CB 3.32Å; G100-A104 WeakPolarHBondContact O-CB 3.42Å; G100-A104 PolarHBondContact O-N 2.82Å
101	A	92.3	Very high	91.1	Very high	54 Å²	54	51.8 Å²	51.8	45%	0.446	29%	0.293	S	S	.	.	H	α-helix	trans	-73.3	-40.1	178.4	0	0	0	0	0	111.1	D99 A104 K105 L117	D99-A101 VanDerWaalsContact C-N 3.26Å; D99-A101 PolarHBondContact O-N 2.07Å; D99-A101 WeakPolarHBondContact OD1-CA 3.45Å; D99-A101 WeakPolarHBondContact OD1-CB 3.46Å; D99-A101 PolarHBondContact OD1-N 3.22Å; A101-A104 PolarHBondContact O-N 3.34Å; A101-K105 WeakPolarHBondContact O-CG 3.37Å; A101-K105 PolarHBondContact O-N 2.97Å; A101-L117 HydrophobicContact CB-CD1 3.81Å
102	L	92.9	Very high	91.1	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-63.6	-45.7	173.4	-171.4	67.2	0	0	0	111.2	D99 A104 K105 W106 L114 L117	D99-L102 HydrophobicContact CB-CB 3.84Å; D99-L102 PolarHBondContact O-N 3.5Å; D99-L102 PolarHBondContact OD1-N 3.05Å; L102-A104 VanDerWaalsContact C-N 3.33Å; L102-A104 PolarHBondContact O-N 3.35Å; L102-K105 WeakPolarHBondContact O-CB 3.37Å; L102-K105 PolarHBondContact O-N 3.06Å; L102-K105 VanDerWaalsContact O-N 3.07Å; L102-W106 HydrophobicContact CD1-CZ2 4.48Å; L102-W106 HydrophobicContact CD2-CH2 3.87Å; L102-W106 HydrophobicContact CD2-CZ2 3.47Å; L102-W106 VanDerWaalsContact CD2-CZ2 3.47Å; L102-W106 HydrophobicContact CG-CH2 4.22Å; L102-W106 HydrophobicContact CG-CZ2 3.65Å; L102-W106 PolarHBondContact O-N 3.42Å; L102-W106 VanDerWaalsContact O-N 3.1Å; L102-L114 HydrophobicContact CD1-CD2 3.73Å; L102-L114 HydrophobicContact CD1-CG 4.04Å; L102-L117 HydrophobicContact CB-CG 4.43Å; L102-L117 HydrophobicContact CD1-CD2 4.19Å; L102-L117 HydrophobicContact CD1-CG 4.16Å
103	I	93.8	Very high	91	Very high	1 Å²	1	60 Å²	60	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-61.5	-41	176.7	-69.6	165.8	0	0	0	111.6	Y75 Y89 L93 A98 D99 K105 W106 K107	Y75-I103 HydrophobicContact CD2-CG1 4.34Å; Y75-I103 HydrophobicContact CD2-CG2 3.66Å; Y75-I103 HydrophobicContact CE2-CG2 4.12Å; Y89-I103 HydrophobicContact CE2-CD1 4.47Å; Y89-I103 WeakPolarHBondContact OH-CG2 3.48Å; L93-I103 HydrophobicContact CD2-CD1 4.15Å; A98-I103 HydrophobicContact CB-CD1 3.82Å; D99-I103 WeakPolarHBondContact O-CG1 3.23Å; D99-I103 PolarHBondContact O-N 3.35Å; I103-K105 PolarHBondContact O-N 3.39Å; I103-W106 HydrophobicContact CB-CE3 4.29Å; I103-W106 HydrophobicContact CG1-CE3 3.74Å; I103-W106 HydrophobicContact CG1-CZ3 3.68Å; I103-W106 PolarHBondContact O-N 3.45Å; I103-W106 VanDerWaalsContact O-N 3.12Å; I103-K107 PolarHBondContact O-N 3.49Å
104	A	93.2	Very high	91	Very high	51 Å²	51	58.3 Å²	58.3	42%	0.421	33%	0.326	S	S	.	.	H	α-helix	trans	-60.1	-31.6	176.3	0	0	0	0	0	112.4	G100 A101 L102	G100-A104 VanDerWaalsContact O-CB 3.32Å; G100-A104 WeakPolarHBondContact O-CB 3.42Å; G100-A104 PolarHBondContact O-N 2.82Å; A101-A104 PolarHBondContact O-N 3.34Å; L102-A104 VanDerWaalsContact C-N 3.33Å; L102-A104 PolarHBondContact O-N 3.35Å
105	K	92.2	Very high	91	Very high	73 Å²	73	54 Å²	54	32%	0.317	30%	0.304	S	S	.	.	H	α-helix	trans	-73.3	-39.4	173.4	-64.1	-61.1	-175.2	176.3	0	112.3	A101 L102 I103 K107 K108 F111 L114 L117	A101-K105 WeakPolarHBondContact O-CG 3.37Å; A101-K105 PolarHBondContact O-N 2.97Å; L102-K105 WeakPolarHBondContact O-CB 3.37Å; L102-K105 PolarHBondContact O-N 3.06Å; L102-K105 VanDerWaalsContact O-N 3.07Å; I103-K105 PolarHBondContact O-N 3.39Å; K105-K107 PolarHBondContact O-N 2.76Å; K105-K108 WeakPolarHBondContact O-CB 3.5Å; K105-K108 PolarHBondContact O-N 2.99Å; K105-F111 VanDerWaalsContact O-CB 3.25Å; K105-F111 WeakPolarHBondContact O-CB 3.37Å; K105-L114 HydrophobicContact CB-CD2 3.77Å; K105-L114 HydrophobicContact CG-CD2 4.21Å; K105-L117 HydrophobicContact CG-CD2 3.99Å
106	W	93.4	Very high	91	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.008	30%	0.296	C	S	.	.	H	α-helix	trans	-59.5	-27.2	177.6	-66.7	-23	0	0	0	114.2	H68 R72 Y75 L102 I103 K108 F111 L114	H68-W106 AromaticContact CD2-CZ2 3.68Å; H68-W106 AromaticContact NE2-CZ2 3.76Å; R72-W106 HydrophobicContact CB-CH2 3.84Å; R72-W106 HydrophobicContact CB-CZ3 4.31Å; Y75-W106 HydrophobicContact CD1-CE3 4.13Å; Y75-W106 AromaticContact CD2-CE3 3.89Å; Y75-W106 HydrophobicContact CD2-CE3 3.89Å; Y75-W106 HydrophobicContact CE2-CB 4.34Å; Y75-W106 HydrophobicContact CE2-CE3 4.45Å; Y75-W106 AromaticContact CG-CE3 3.7Å; Y75-W106 HydrophobicContact CG-CE3 3.7Å; Y75-W106 HydrophobicContact CG-CZ3 4.04Å; L102-W106 HydrophobicContact CD1-CZ2 4.48Å; L102-W106 HydrophobicContact CD2-CH2 3.87Å; L102-W106 HydrophobicContact CD2-CZ2 3.47Å; L102-W106 VanDerWaalsContact CD2-CZ2 3.47Å; L102-W106 HydrophobicContact CG-CH2 4.22Å; L102-W106 HydrophobicContact CG-CZ2 3.65Å; L102-W106 PolarHBondContact O-N 3.42Å; L102-W106 VanDerWaalsContact O-N 3.1Å; I103-W106 HydrophobicContact CB-CE3 4.29Å; I103-W106 HydrophobicContact CG1-CE3 3.74Å; I103-W106 HydrophobicContact CG1-CZ3 3.68Å; I103-W106 PolarHBondContact O-N 3.45Å; I103-W106 VanDerWaalsContact O-N 3.12Å; W106-K108 PolarHBondContact O-N 3.42Å; W106-F111 VanDerWaalsContact CD1-O 3.26Å; W106-L114 PolarHBondContact NE1-O 3.41Å
107	K	91.1	Very high	91.1	Very high	110 Å²	110	46 Å²	46	48%	0.478	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-16.1	174.5	-63.4	175.6	-173.8	-176	0	113.7	Y79 I103 K105	Y79-K107 WeakPolarHBondContact OH-CE 3.25Å; Y79-K107 PolarHBondContact OH-NZ 2.98Å; I103-K107 PolarHBondContact O-N 3.49Å; K105-K107 PolarHBondContact O-N 2.76Å
108	K	92.1	Very high	91	Very high	110 Å²	110	47 Å²	47	48%	0.478	28%	0.276	S	S	.	.	S	Bend	trans	-87.9	138.1	179.8	-61	-167.3	177.7	-158.8	0	110	K105 W106 G110 F111	K105-K108 WeakPolarHBondContact O-CB 3.5Å; K105-K108 PolarHBondContact O-N 2.99Å; W106-K108 PolarHBondContact O-N 3.42Å; K108-G110 PolarHBondContact O-N 3.25Å; K108-F111 HydrophobicContact CB-CD2 3.92Å; K108-F111 PolarHBondContact O-N 2.82Å
109	P	90.2	Very high	90.7	Very high	114 Å²	114	46.9 Å²	46.9	74%	0.74	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	138.9	176.6	26.1	-34.2	0	0	0	110.4	F111	P109-F111 VanDerWaalsContact C-N 3.31Å; P109-F111 PolarHBondContact O-N 3.08Å
110	G	87.9	Confident	90.4	Very high	55 Å²	55	47.3 Å²	47.3	57%	0.567	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	-0.2	-178.4	0	0	0	0	0	115.7	K108 R134	K108-G110 PolarHBondContact O-N 3.25Å; G110-R134 PolarHBondContact O-NH1 3.15Å; G110-R134 PolarHBondContact O-NH2 3.26Å
111	F	89.8	Confident	89.9	Confident	57 Å²	57	50.4 Å²	50.4	25%	0.25	28%	0.283	C	S	.	.			trans	-119.8	7	177.7	-65.6	-75.9	0	0	0	113.7	K105 W106 K108 P109 N113 L114 I120 R134	K105-F111 VanDerWaalsContact O-CB 3.25Å; K105-F111 WeakPolarHBondContact O-CB 3.37Å; W106-F111 VanDerWaalsContact CD1-O 3.26Å; K108-F111 HydrophobicContact CB-CD2 3.92Å; K108-F111 PolarHBondContact O-N 2.82Å; P109-F111 VanDerWaalsContact C-N 3.31Å; P109-F111 PolarHBondContact O-N 3.08Å; F111-N113 PolarHBondContact O-N 3.06Å; F111-N113 VanDerWaalsContact O-N 3.16Å; F111-L114 WeakPolarHBondContact O-CB 3.45Å; F111-L114 PolarHBondContact O-N 3.22Å; F111-I120 HydrophobicContact CD1-CD1 3.29Å; F111-I120 HydrophobicContact CD1-CG1 4.13Å; F111-I120 HydrophobicContact CE1-CD1 3.38Å; F111-I120 HydrophobicContact CE1-CG1 3.84Å; F111-I120 HydrophobicContact CE1-CG2 4.33Å; F111-I120 HydrophobicContact CG-CD1 4.35Å; F111-R134 VanDerWaalsContact CE1-NH2 3.29Å
112	E	90.6	Very high	88.8	Confident	115 Å²	115	52 Å²	52	54%	0.537	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-30.9	-174.2	-60.4	177.7	-176.7	0	0	114.6	R72	R72-E112 PolarHBondContact NH1-O 3.26Å
113	N	89.8	Confident	87.8	Confident	80 Å²	80	63.2 Å²	63.2	43%	0.428	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	14.3	-178.2	-65.2	-30.5	0	0	0	113.1	F111 C115 C156 G158	F111-N113 PolarHBondContact O-N 3.06Å; F111-N113 VanDerWaalsContact O-N 3.16Å; N113-C115 PolarHBondContact O-N 2.97Å; N113-C156 VanDerWaalsContact O-CB 3.25Å; N113-C156 WeakPolarHBondContact O-CB 3.24Å; N113-G158 VanDerWaalsContact ND2-CA 3.3Å; N113-G158 WeakPolarHBondContact ND2-CA 3Å
114	L	91.7	Very high	86.5	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.348	C	S	.	.			trans	-62.2	121.3	-178.4	-179.4	68	0	0	0	111.6	L102 K105 W106 F111 C116 C119 I120	L102-L114 HydrophobicContact CD1-CD2 3.73Å; L102-L114 HydrophobicContact CD1-CG 4.04Å; K105-L114 HydrophobicContact CB-CD2 3.77Å; K105-L114 HydrophobicContact CG-CD2 4.21Å; W106-L114 PolarHBondContact NE1-O 3.41Å; F111-L114 WeakPolarHBondContact O-CB 3.45Å; F111-L114 PolarHBondContact O-N 3.22Å; L114-C116 VanDerWaalsContact CD1-O 3.25Å; L114-C116 WeakPolarHBondContact CD1-O 3.31Å; L114-C116 WeakPolarHBondContact CG-O 3.19Å; L114-C119 HydrophobicContact CD1-CB 4.18Å; L114-I120 HydrophobicContact CD1-CD1 3.46Å; L114-I120 VanDerWaalsContact CD1-CD1 3.46Å; L114-I120 HydrophobicContact CD1-CG1 3.68Å; L114-I120 HydrophobicContact CD2-CD1 3.21Å; L114-I120 HydrophobicContact CD2-CG1 4.27Å; L114-I120 HydrophobicContact CG-CD1 3.89Å
115	C	90.2	Very high	85.3	Confident	18 Å²	18	65.5 Å²	65.5	12%	0.122	34%	0.335	C	S	.	.			trans	-82.3	-34	179.7	59.9	0	0	0	0	113.9	H68 N113 C119 C151 C153 C156	H68-C115 PolarHBondContact CD2-O 2.85Å; N113-C115 PolarHBondContact O-N 2.97Å; C115-C119 PolarHBondContact SG-SG 3.23Å; C115-C151 PolarHBondContact SG-SG 3.41Å; C115-C153 HydrophobicContact CB-CB 4.07Å; C115-C153 PolarHBondContact SG-SG 3.41Å; C115-C156 HydrophobicContact CB-CB 4.05Å
116	C	88.6	Confident	83.9	Confident	7 Å²	7	69.6 Å²	69.6	5%	0.047	36%	0.361	C	S	.	.			trans	-149.6	142.5	-166.9	97.9	0	0	0	0	111.2	L114 C119 C151	L114-C116 VanDerWaalsContact CD1-O 3.25Å; L114-C116 WeakPolarHBondContact CD1-O 3.31Å; L114-C116 WeakPolarHBondContact CG-O 3.19Å; C116-C119 HydrophobicContact CB-CB 4.45Å; C116-C119 WeakPolarHBondContact CB-SG 3.06Å; C116-C119 WeakPolarHBondContact O-CB 3.35Å; C116-C119 PolarHBondContact O-N 3.31Å; C116-C119 WeakPolarHBondContact SG-CB 3.47Å; C116-C119 PolarHBondContact SG-N 3.31Å; C116-C119 CovalentContact SG-SG 2.07Å; C116-C119 PolarHBondContact SG-SG 3.19Å; C116-C151 HydrophobicContact CB-CB 4Å
117	L	88.9	Confident	82.8	Confident	36 Å²	36	78 Å²	78	19%	0.188	40%	0.397	C	S	.	.	S	Bend	trans	-65.6	-40.4	173.6	-69.7	173.5	0	0	0	113.7	A101 L102 K105 C119 I120 Q121	A101-L117 HydrophobicContact CB-CD1 3.81Å; L102-L117 HydrophobicContact CB-CG 4.43Å; L102-L117 HydrophobicContact CD1-CD2 4.19Å; L102-L117 HydrophobicContact CD1-CG 4.16Å; K105-L117 HydrophobicContact CG-CD2 3.99Å; L117-C119 PolarHBondContact O-N 2.86Å; L117-I120 PolarHBondContact O-N 3.38Å; L117-Q121 PolarHBondContact O-N 3.49Å
118	P	87	Confident	81.8	Confident	27 Å²	27	74.7 Å²	74.7	18%	0.175	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-27.8	178	-28.4	35.5	0	0	0	113.5	I120 Q121 H150	P118-I120 PolarHBondContact O-N 2.93Å; P118-I120 VanDerWaalsContact O-N 3.08Å; P118-Q121 PolarHBondContact O-N 3.02Å; P118-H150 HydrophobicContact CB-CB 4.28Å
119	C	85.1	Confident	81	Confident	3 Å²	3	73.3 Å²	73.3	2%	0.02	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-17.8	-179.9	-60.4	0	0	0	0	113.5	L114 C115 C116 L117 C131 C133	L114-C119 HydrophobicContact CD1-CB 4.18Å; C115-C119 PolarHBondContact SG-SG 3.23Å; C116-C119 HydrophobicContact CB-CB 4.45Å; C116-C119 WeakPolarHBondContact CB-SG 3.06Å; C116-C119 WeakPolarHBondContact O-CB 3.35Å; C116-C119 PolarHBondContact O-N 3.31Å; C116-C119 WeakPolarHBondContact SG-CB 3.47Å; C116-C119 PolarHBondContact SG-N 3.31Å; C116-C119 CovalentContact SG-SG 2.07Å; C116-C119 PolarHBondContact SG-SG 3.19Å; L117-C119 PolarHBondContact O-N 2.86Å; C119-C131 HydrophobicContact CB-CB 4.22Å; C119-C133 VanDerWaalsContact SG-SG 3.62Å
120	I	84.9	Confident	80.3	Confident	46 Å²	46	73.8 Å²	73.8	24%	0.236	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-25	178.4	-63.4	170	0	0	0	111.9	F111 L114 L117 P118 T122	F111-I120 HydrophobicContact CD1-CD1 3.29Å; F111-I120 HydrophobicContact CD1-CG1 4.13Å; F111-I120 HydrophobicContact CE1-CD1 3.38Å; F111-I120 HydrophobicContact CE1-CG1 3.84Å; F111-I120 HydrophobicContact CE1-CG2 4.33Å; F111-I120 HydrophobicContact CG-CD1 4.35Å; L114-I120 HydrophobicContact CD1-CD1 3.46Å; L114-I120 VanDerWaalsContact CD1-CD1 3.46Å; L114-I120 HydrophobicContact CD1-CG1 3.68Å; L114-I120 HydrophobicContact CD2-CD1 3.21Å; L114-I120 HydrophobicContact CD2-CG1 4.27Å; L114-I120 HydrophobicContact CG-CD1 3.89Å; L117-I120 PolarHBondContact O-N 3.38Å; P118-I120 PolarHBondContact O-N 2.93Å; P118-I120 VanDerWaalsContact O-N 3.08Å; I120-T122 PolarHBondContact O-N 3.01Å; I120-T122 VanDerWaalsContact O-N 3.12Å
121	Q	81.3	Confident	80.2	Confident	99 Å²	99	71.6 Å²	71.6	46%	0.463	37%	0.368	S	S	.	.			trans	-74.1	107.3	-175.6	-71.7	175.8	-44.2	0	0	109.3	L117 P118 R123 D124	L117-Q121 PolarHBondContact O-N 3.49Å; P118-Q121 PolarHBondContact O-N 3.02Å; Q121-R123 PolarHBondContact O-N 2.74Å; Q121-R123 VanDerWaalsContact O-N 3.11Å; Q121-D124 PolarHBondContact O-N 3.48Å; Q121-D124 PolarHBondContact OE1-OD2 2.88Å
122	T	71	Confident	80	Confident	88 Å²	88	71.4 Å²	71.4	54%	0.54	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-60.5	-20.8	178.1	52	0	0	0	0	113.3	I120 D124 T125	I120-T122 PolarHBondContact O-N 3.01Å; I120-T122 VanDerWaalsContact O-N 3.12Å; T122-D124 VanDerWaalsContact C-N 3.26Å; T122-D124 PolarHBondContact O-N 3.42Å; T122-T125 PolarHBondContact O-N 3.08Å; T122-T125 PolarHBondContact O-OG1 3.19Å
123	R	72	Confident	79.8	Confident	235 Å²	235	65.9 Å²	65.9	89%	0.887	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-68.1	-25.6	176.3	-65	-176.3	-179.4	-179.6	-1.6	113.2	Q121	Q121-R123 PolarHBondContact O-N 2.74Å; Q121-R123 VanDerWaalsContact O-N 3.11Å
124	D	66.2	Low	79.7	Confident	76 Å²	76	64.5 Å²	64.5	41%	0.406	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-91.3	-3.8	-176.5	-62.7	-27.5	0	0	0	112.6	Q121 T122	Q121-D124 PolarHBondContact O-N 3.48Å; Q121-D124 PolarHBondContact OE1-OD2 2.88Å; T122-D124 VanDerWaalsContact C-N 3.26Å; T122-D124 PolarHBondContact O-N 3.42Å
125	T	66.8	Low	79.4	Confident	24 Å²	24	66.6 Å²	66.6	15%	0.147	35%	0.345	C	S	.	.	S	Bend	trans	-109.5	127.6	176.9	62.5	0	0	0	0	110.6	T122 F127 G128 T129	T122-T125 PolarHBondContact O-N 3.08Å; T122-T125 PolarHBondContact O-OG1 3.19Å; T125-F127 PolarHBondContact O-N 3.26Å; T125-G128 PolarHBondContact O-N 3.11Å; T125-G128 VanDerWaalsContact OG1-CA 3.31Å; T125-G128 WeakPolarHBondContact OG1-CA 3.24Å; T125-G128 PolarHBondContact OG1-N 3.07Å; T125-T129 WeakPolarHBondContact CG2-O 3.43Å; T125-T129 PolarHBondContact OG1-N 3.26Å; T125-T129 VanDerWaalsContact OG1-N 3.15Å; T125-T129 PolarHBondContact OG1-O 3.46Å
126	N	64	Low	79.2	Confident	160 Å²	160	68 Å²	68	86%	0.856	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-22.7	-176.8	-65.5	-26.9	0	0	0	114.2
127	F	69.9	Low	78.9	Confident	178 Å²	178	74.7 Å²	74.7	78%	0.781	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.6	8.6	-177.6	-59.9	-75.3	0	0	0	113.1	T125 T129	T125-F127 PolarHBondContact O-N 3.26Å; F127-T129 HydrophobicContact CB-CG2 3.79Å; F127-T129 PolarHBondContact O-N 3.46Å
128	G	69.8	Low	78.7	Confident	41 Å²	41	79.3 Å²	79.3	42%	0.423	41%	0.412	S	S	.	.	S	Bend	trans	60	16.3	-172.5	0	0	0	0	0	113.6	T125	T125-G128 PolarHBondContact O-N 3.11Å; T125-G128 VanDerWaalsContact OG1-CA 3.31Å; T125-G128 WeakPolarHBondContact OG1-CA 3.24Å; T125-G128 PolarHBondContact OG1-N 3.07Å
129	T	74.4	Confident	78.5	Confident	81 Å²	81	86 Å²	86	50%	0.497	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-81.5	154.3	-177.5	49.6	0	0	0	0	111.3	T125 F127	T125-T129 WeakPolarHBondContact CG2-O 3.43Å; T125-T129 PolarHBondContact OG1-N 3.26Å; T125-T129 VanDerWaalsContact OG1-N 3.15Å; T125-T129 PolarHBondContact OG1-O 3.46Å; F127-T129 HydrophobicContact CB-CG2 3.79Å; F127-T129 PolarHBondContact O-N 3.46Å
130	N	77	Confident	78.3	Confident	123 Å²	123	87.1 Å²	87.1	66%	0.658	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-61.9	139.9	169.6	-69.6	-37.1	0	0	0	109.8
131	C	85.1	Confident	78.1	Confident	9 Å²	9	91.7 Å²	91.7	6%	0.061	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-58.9	145.5	175.2	-167.2	0	0	0	0	110.7	C119 C133 R134 C148	C119-C131 HydrophobicContact CB-CB 4.22Å; C131-C133 PolarHBondContact O-N 2.97Å; C131-C133 PolarHBondContact SG-SG 3.05Å; C131-R134 WeakPolarHBondContact O-CA 3.35Å; C131-R134 WeakPolarHBondContact O-CB 3.48Å; C131-R134 PolarHBondContact O-N 3.09Å; C131-C148 PolarHBondContact SG-SG 2.91Å
132	I	85.3	Confident	77.8	Confident	53 Å²	53	97 Å²	97	27%	0.272	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-54.1	-31.3	179.4	-169.5	56.9	0	0	0	112.7	R134 V135 L140 I146 E147	I132-R134 PolarHBondContact O-N 3.28Å; I132-V135 HydrophobicContact CD1-CG2 4.19Å; I132-V135 PolarHBondContact O-N 3.17Å; I132-L140 HydrophobicContact CD1-CD2 4.11Å; I132-I146 HydrophobicContact CG1-CG2 4.31Å; I132-I146 HydrophobicContact CG2-CG2 4.35Å; I132-E147 WeakPolarHBondContact CG2-O 3.39Å
133	C	87	Confident	78.1	Confident	0 Å²	0	97.8 Å²	97.8	0%	0	50%	0.498	C	S	.	.	G	3₁₀ helix	trans	-69.7	-13.9	177	66	0	0	0	0	114.1	C119 C131 C148 C153 C156 S157	C119-C133 VanDerWaalsContact SG-SG 3.62Å; C131-C133 PolarHBondContact O-N 2.97Å; C131-C133 PolarHBondContact SG-SG 3.05Å; C133-C148 HydrophobicContact CB-CB 3.9Å; C133-C153 WeakPolarHBondContact CB-SG 3.36Å; C133-C156 PolarHBondContact O-N 3.05Å; C133-C156 PolarHBondContact O-SG 3.47Å; C133-C156 VanDerWaalsContact O-SG 3.41Å; C133-C156 PolarHBondContact SG-SG 2.97Å; C133-S157 PolarHBondContact O-N 3.03Å
134	R	87.8	Confident	78.3	Confident	50 Å²	50	93.6 Å²	93.6	19%	0.189	48%	0.482	C	S	.	.	G	3₁₀ helix	trans	-93.3	0.6	175.2	-71.2	-70.8	-64.2	177.4	0.2	112.8	G110 F111 C131 I132 C156 S157	G110-R134 PolarHBondContact O-NH1 3.15Å; G110-R134 PolarHBondContact O-NH2 3.26Å; F111-R134 VanDerWaalsContact CE1-NH2 3.29Å; C131-R134 WeakPolarHBondContact O-CA 3.35Å; C131-R134 WeakPolarHBondContact O-CB 3.48Å; C131-R134 PolarHBondContact O-N 3.09Å; I132-R134 PolarHBondContact O-N 3.28Å; R134-C156 WeakPolarHBondContact CD-SG 3.31Å; R134-S157 WeakPolarHBondContact O-CB 3.39Å
135	V	86.1	Confident	78.9	Confident	45 Å²	45	96.7 Å²	96.7	27%	0.273	50%	0.498	S	S	.	.	S	Bend	trans	-81.7	127.1	172.9	-174.1	0	0	0	0	108.8	I132 K139 L140	I132-V135 HydrophobicContact CD1-CG2 4.19Å; I132-V135 PolarHBondContact O-N 3.17Å; V135-K139 HydrophobicContact CG1-CB 3.96Å; V135-L140 HydrophobicContact CB-CD1 3.77Å; V135-L140 HydrophobicContact CB-CG 4.45Å; V135-L140 HydrophobicContact CG1-CD1 3.72Å; V135-L140 HydrophobicContact CG1-CG 4.02Å; V135-L140 WeakPolarHBondContact O-CD1 3.35Å
136	P	85.3	Confident	79.8	Confident	47 Å²	47	96.5 Å²	96.5	31%	0.305	50%	0.496	S	S	.	.			trans	-61.1	142.8	175	-21.6	31.3	0	0	0	111.6	T138 K139 L140	P136-T138 PolarHBondContact O-N 3.46Å; P136-T138 VanDerWaalsContact O-N 3.08Å; P136-K139 PolarHBondContact O-N 3.06Å; P136-L140 WeakPolarHBondContact O-CD1 3.3Å
137	K	83	Confident	80.8	Confident	147 Å²	147	94.5 Å²	94.5	64%	0.639	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-55.7	-29.6	-179.8	-67.8	-178.2	-179.9	177.8	0	113.6	K139 L140	K137-K139 PolarHBondContact O-N 2.95Å; K137-L140 PolarHBondContact O-N 3.3Å; K137-L140 VanDerWaalsContact O-O 3.13Å
138	T	84.3	Confident	81.7	Confident	133 Å²	133	86 Å²	86	82%	0.816	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-63.3	-21.2	177.1	54	0	0	0	0	114.3	P136	P136-T138 PolarHBondContact O-N 3.46Å; P136-T138 VanDerWaalsContact O-N 3.08Å
139	K	83	Confident	82.3	Confident	168 Å²	168	87.6 Å²	87.6	73%	0.73	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-98.8	-1.3	176.7	-62.1	-172.4	178.6	-174.6	0	112.8	V135 P136 K137	V135-K139 HydrophobicContact CG1-CB 3.96Å; P136-K139 PolarHBondContact O-N 3.06Å; K137-K139 PolarHBondContact O-N 2.95Å
140	L	81.2	Confident	82.9	Confident	26 Å²	26	86 Å²	86	14%	0.136	43%	0.432	C	S	.	.	S	Bend	trans	-106.4	147.8	-179.5	-79.3	136.5	0	0	0	109.2	I132 V135 P136 K137 I146	I132-L140 HydrophobicContact CD1-CD2 4.11Å; V135-L140 HydrophobicContact CB-CD1 3.77Å; V135-L140 HydrophobicContact CB-CG 4.45Å; V135-L140 HydrophobicContact CG1-CD1 3.72Å; V135-L140 HydrophobicContact CG1-CG 4.02Å; V135-L140 WeakPolarHBondContact O-CD1 3.35Å; P136-L140 WeakPolarHBondContact O-CD1 3.3Å; K137-L140 PolarHBondContact O-N 3.3Å; K137-L140 VanDerWaalsContact O-O 3.13Å; L140-I146 HydrophobicContact CD1-CD1 3.35Å; L140-I146 HydrophobicContact CD1-CG1 4.1Å; L140-I146 HydrophobicContact CD2-CD1 4.09Å; L140-I146 HydrophobicContact CD2-CG1 3.93Å; L140-I146 HydrophobicContact CG-CD1 4.17Å
141	E	79.2	Confident	83.4	Confident	143 Å²	143	80.3 Å²	80.3	67%	0.668	40%	0.402	S	S	*	.			trans	-63.2	133.7	170.2	-69.9	160.5	-160.1	0	0	109.6	S143 R144	E141-S143 PolarHBondContact O-N 3.28Å; E141-S143 VanDerWaalsContact O-N 3.09Å; E141-R144 HydrophobicContact CB-CB 4.41Å; E141-R144 WeakPolarHBondContact O-CB 3.36Å; E141-R144 PolarHBondContact O-N 3.29Å
142	E	75.7	Confident	83.5	Confident	210 Å²	210	80 Å²	80	98%	0.981	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-28.6	-174.6	-110.8	167.9	-158.4	0	0	113.8
143	S	76.3	Confident	83.7	Confident	105 Å²	105	78.4 Å²	78.4	73%	0.734	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-11	179.8	59.7	0	0	0	0	114.1	E141 L145	E141-S143 PolarHBondContact O-N 3.28Å; E141-S143 VanDerWaalsContact O-N 3.09Å; S143-L145 PolarHBondContact O-N 3.21Å
144	R	78.2	Confident	83.6	Confident	147 Å²	147	87.3 Å²	87.3	56%	0.555	43%	0.427	S	S	*	.			trans	-81	110.3	-173.9	-168.8	171.8	-178.7	173.9	1.9	110.9	E141 I146	E141-R144 HydrophobicContact CB-CB 4.41Å; E141-R144 WeakPolarHBondContact O-CB 3.36Å; E141-R144 PolarHBondContact O-N 3.29Å; R144-I146 PolarHBondContact O-N 3.03Å; R144-I146 VanDerWaalsContact O-N 3.15Å
145	L	78.7	Confident	83.5	Confident	141 Å²	141	86.6 Å²	86.6	74%	0.738	44%	0.435	S	S	*	.			trans	-67.1	112.1	168.2	-66.8	177.9	0	0	0	109.6	S143	S143-L145 PolarHBondContact O-N 3.21Å
146	I	84.5	Confident	83.5	Confident	20 Å²	20	84.6 Å²	84.6	10%	0.103	42%	0.423	C	S	.	.			trans	-82.1	125.2	176.7	-59.2	155.5	0	0	0	108.2	I132 L140 R144 R154	I132-I146 HydrophobicContact CG1-CG2 4.31Å; I132-I146 HydrophobicContact CG2-CG2 4.35Å; L140-I146 HydrophobicContact CD1-CD1 3.35Å; L140-I146 HydrophobicContact CD1-CG1 4.1Å; L140-I146 HydrophobicContact CD2-CD1 4.09Å; L140-I146 HydrophobicContact CD2-CG1 3.93Å; L140-I146 HydrophobicContact CG-CD1 4.17Å; R144-I146 PolarHBondContact O-N 3.03Å; R144-I146 VanDerWaalsContact O-N 3.15Å; I146-R154 VanDerWaalsContact O-CA 3.32Å; I146-R154 WeakPolarHBondContact O-CA 3.46Å
147	E	85.8	Confident	83.1	Confident	118 Å²	118	83.7 Å²	83.7	55%	0.551	42%	0.418	S	S	*	.			trans	-128.3	129.5	165.5	60.7	177.4	-156.9	0	0	110.2	I132 V149 C153	I132-E147 WeakPolarHBondContact CG2-O 3.39Å; E147-V149 PolarHBondContact O-N 3.5Å; E147-C153 WeakPolarHBondContact CA-O 3.44Å
148	C	87.3	Confident	82.2	Confident	0 Å²	0	81.5 Å²	81.5	0%	0	44%	0.437	C	S	.	.			trans	-71.1	128.3	173.1	-179.5	0	0	0	0	110	W61 C131 C133 H150 C151 G152 C153	W61-C148 WeakPolarHBondContact CZ2-O 3.46Å; C131-C148 PolarHBondContact SG-SG 2.91Å; C133-C148 HydrophobicContact CB-CB 3.9Å; C148-H150 PolarHBondContact O-N 3.22Å; C148-H150 PolarHBondContact SG-N 3.02Å; C148-H150 VanDerWaalsContact SG-N 3.39Å; C148-C151 VanDerWaalsContact CB-SG 3.6Å; C148-G152 VanDerWaalsContact O-CA 3.23Å; C148-G152 WeakPolarHBondContact O-CA 3.47Å; C148-G152 PolarHBondContact O-N 3.12Å; C148-C153 VanDerWaalsContact CB-SG 3.54Å; C148-C153 PolarHBondContact N-O 2.94Å
149	V	84	Confident	82.1	Confident	73 Å²	73	78.9 Å²	78.9	44%	0.442	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-34.8	175.2	-177	0	0	0	0	112.2	V57 W61 E147	V57-V149 VanDerWaalsContact CG1-O 3.3Å; V57-V149 WeakPolarHBondContact CG1-O 3.46Å; W61-V149 PolarHBondContact NE1-O 2.96Å; E147-V149 PolarHBondContact O-N 3.5Å
150	H	85.5	Confident	82	Confident	48 Å²	48	74.2 Å²	74.2	22%	0.222	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-43.5	-174.8	-56	-71.9	0	0	0	113.9	P118 C148	P118-H150 HydrophobicContact CB-CB 4.28Å; C148-H150 PolarHBondContact O-N 3.22Å; C148-H150 PolarHBondContact SG-N 3.02Å; C148-H150 VanDerWaalsContact SG-N 3.39Å
151	C	87.4	Confident	82.1	Confident	4 Å²	4	76.9 Å²	76.9	3%	0.027	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-3.5	-171.6	65.8	0	0	0	0	114.7	F64 C115 C116 C148 C153	F64-C151 HydrophobicContact CB-CB 3.85Å; F64-C151 HydrophobicContact CG-CB 4.19Å; C115-C151 PolarHBondContact SG-SG 3.41Å; C116-C151 HydrophobicContact CB-CB 4Å; C148-C151 VanDerWaalsContact CB-SG 3.6Å; C151-C153 PolarHBondContact O-N 3.45Å; C151-C153 VanDerWaalsContact SG-SG 3.64Å
152	G	87.3	Confident	82.2	Confident	2 Å²	2	73 Å²	73	2%	0.021	40%	0.401	C	S	.	.			trans	62.6	25	-178.2	0	0	0	0	0	114.1	W61 R65 C148	W61-G152 VanDerWaalsContact CD2-CA 3.45Å; R65-G152 PolarHBondContact NH2-O 3.4Å; C148-G152 VanDerWaalsContact O-CA 3.23Å; C148-G152 WeakPolarHBondContact O-CA 3.47Å; C148-G152 PolarHBondContact O-N 3.12Å
153	C	89.4	Confident	82.7	Confident	19 Å²	19	64.4 Å²	64.4	13%	0.128	37%	0.365	C	S	.	.			trans	-75.7	155.8	174.2	79.5	0	0	0	0	111.1	C115 C133 E147 C148 C151 G155	C115-C153 HydrophobicContact CB-CB 4.07Å; C115-C153 PolarHBondContact SG-SG 3.41Å; C133-C153 WeakPolarHBondContact CB-SG 3.36Å; E147-C153 WeakPolarHBondContact CA-O 3.44Å; C148-C153 VanDerWaalsContact CB-SG 3.54Å; C148-C153 PolarHBondContact N-O 2.94Å; C151-C153 PolarHBondContact O-N 3.45Å; C151-C153 VanDerWaalsContact SG-SG 3.64Å; C153-G155 VanDerWaalsContact C-N 3.26Å; C153-G155 PolarHBondContact O-N 3.15Å
154	R	86.4	Confident	83.1	Confident	188 Å²	188	61.7 Å²	61.7	71%	0.709	34%	0.34	S	S	*	.	S	Bend	trans	-89.5	22.9	180	-65.2	-174.4	178.2	-117.8	1.8	114.5	I146	I146-R154 VanDerWaalsContact O-CA 3.32Å; I146-R154 WeakPolarHBondContact O-CA 3.46Å
155	G	85.9	Confident	83.4	Confident	34 Å²	34	55.6 Å²	55.6	35%	0.351	33%	0.325	S	S	.	.			trans	115	139.5	-170.4	0	0	0	0	0	112.3	C153	C153-G155 VanDerWaalsContact C-N 3.26Å; C153-G155 PolarHBondContact O-N 3.15Å
156	C	85.5	Confident	83.8	Confident	4 Å²	4	49.1 Å²	49.1	3%	0.027	29%	0.293	C	S	.	.			trans	-136.8	1.7	179.2	71.2	0	0	0	0	112.8	N113 C115 C133 R134	N113-C156 VanDerWaalsContact O-CB 3.25Å; N113-C156 WeakPolarHBondContact O-CB 3.24Å; C115-C156 HydrophobicContact CB-CB 4.05Å; C133-C156 PolarHBondContact O-N 3.05Å; C133-C156 PolarHBondContact O-SG 3.47Å; C133-C156 VanDerWaalsContact O-SG 3.41Å; C133-C156 PolarHBondContact SG-SG 2.97Å; R134-C156 WeakPolarHBondContact CD-SG 3.31Å
157	S	76.4	Confident	83.7	Confident	27 Å²	27	51.5 Å²	51.5	19%	0.189	31%	0.309	C	S	.	.			trans	-75.5	115.3	155.8	-174.2	0	0	0	0	105.8	C133 R134	C133-S157 PolarHBondContact O-N 3.03Å; R134-S157 WeakPolarHBondContact O-CB 3.39Å
158	G	64.2	Low	83.6	Confident	101 Å²	101	45.5 Å²	45.5	100%	1.041	29%	0.287	S	S	*	.			trans	-49.8	0	-178	0	0	0	0	0	111.7	N113	N113-G158 VanDerWaalsContact ND2-CA 3.3Å; N113-G158 WeakPolarHBondContact ND2-CA 3Å

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