A0A5K4F7B0_SCHMA Loading...

MARVEL domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F7B0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 172 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	32.9	Very low	41.4	Very low	237 Å²	237	111.8 Å²	111.8	100%	1.167	61%	0.605	S	S	*	*				0	106.6	0	-162.8	157.4	-176.3	0	0	107.4	I3	M1-I3 PolarHBondContact O-N 3.2Å
2	S	26.5	Very low	42.5	Very low	108 Å²	108	112.3 Å²	112.3	76%	0.755	61%	0.605	S	S	*	*			trans	-82.8	108.2	-179.5	177	0	0	0	0	108.2	K4	S2-K4 VanDerWaalsContact C-N 3.34Å; S2-K4 PolarHBondContact O-N 3.49Å
3	I	34.3	Very low	43.3	Very low	139 Å²	139	106 Å²	106	71%	0.713	57%	0.568	S	S	*	*			trans	-74.5	93.9	172.7	-55.6	171.9	0	0	0	106.3	M1 T5	M1-I3 PolarHBondContact O-N 3.2Å; I3-T5 VanDerWaalsContact C-N 3.3Å; I3-T5 HydrophobicContact CG2-CG2 3.54Å; I3-T5 PolarHBondContact O-N 3.42Å
4	K	32.5	Very low	43.8	Very low	187 Å²	187	107.1 Å²	107.1	81%	0.813	56%	0.56	S	S	*	*			trans	-72	88.8	166.4	-80.4	-174.1	174.3	-179.1	0	108	S2 S6	S2-K4 VanDerWaalsContact C-N 3.34Å; S2-K4 PolarHBondContact O-N 3.49Å; K4-S6 PolarHBondContact O-N 3.01Å; K4-S6 VanDerWaalsContact O-N 3.14Å
5	T	40.4	Very low	44.6	Very low	79 Å²	79	107.7 Å²	107.7	49%	0.485	56%	0.561	S	S	.	*			trans	-77.7	89.6	169.1	55.5	0	0	0	0	108.9	I3 H7 I10	I3-T5 VanDerWaalsContact C-N 3.3Å; I3-T5 HydrophobicContact CG2-CG2 3.54Å; I3-T5 PolarHBondContact O-N 3.42Å; T5-H7 PolarHBondContact O-N 2.78Å; T5-I10 HydrophobicContact CG2-CD1 4.07Å
6	S	41.4	Very low	45.2	Very low	110 Å²	110	102.4 Å²	102.4	77%	0.769	53%	0.533	S	S	*	.			trans	-86.3	12.1	174	54.7	0	0	0	0	113.4	K4 P8	K4-S6 PolarHBondContact O-N 3.01Å; K4-S6 VanDerWaalsContact O-N 3.14Å; S6-P8 VanDerWaalsContact O-CD 3.23Å; S6-P8 WeakPolarHBondContact O-CD 3.12Å
7	H	48.7	Very low	45.8	Very low	70 Å²	70	97.8 Å²	97.8	32%	0.324	51%	0.509	S	S	.	.			trans	-89.3	107.7	177.6	-117.6	-84	0	0	0	110	T5 Q9 I10	T5-H7 PolarHBondContact O-N 2.78Å; H7-Q9 PolarHBondContact CE1-OE1 3.5Å; H7-Q9 PolarHBondContact ND1-OE1 2.69Å; H7-Q9 VanDerWaalsContact ND1-OE1 3.1Å; H7-Q9 PolarHBondContact O-N 3.09Å; H7-I10 HydrophobicContact CB-CD1 3.91Å; H7-I10 HydrophobicContact CB-CG1 4.25Å; H7-I10 PolarHBondContact O-N 3.08Å; H7-I10 VanDerWaalsContact O-N 3.09Å
8	P	49.1	Very low	46.6	Very low	89 Å²	89	96.9 Å²	96.9	58%	0.578	50%	0.504	S	S	*	.	H	α-helix	trans	-60.3	-19.3	-179.4	24.1	-33.9	0	0	0	113.2	S6 I11 L12	S6-P8 VanDerWaalsContact O-CD 3.23Å; S6-P8 WeakPolarHBondContact O-CD 3.12Å; P8-I11 PolarHBondContact O-N 3.16Å; P8-L12 PolarHBondContact O-N 2.78Å
9	Q	48	Very low	47.4	Very low	75 Å²	75	95.9 Å²	95.9	35%	0.35	50%	0.499	S	S	.	.	H	α-helix	trans	-65.9	-34.5	176.1	-70.8	171.1	-33.2	0	0	113.1	H7 I11 L12 Y13	H7-Q9 PolarHBondContact CE1-OE1 3.5Å; H7-Q9 PolarHBondContact ND1-OE1 2.69Å; H7-Q9 VanDerWaalsContact ND1-OE1 3.1Å; H7-Q9 PolarHBondContact O-N 3.09Å; Q9-I11 VanDerWaalsContact C-N 3.33Å; Q9-I11 PolarHBondContact O-N 2.85Å; Q9-L12 WeakPolarHBondContact O-CB 3.37Å; Q9-L12 PolarHBondContact O-N 3.41Å; Q9-Y13 HydrophobicContact CB-CE2 4.12Å; Q9-Y13 WeakPolarHBondContact O-CD2 3.32Å; Q9-Y13 PolarHBondContact O-N 2.86Å
10	I	48.7	Very low	47.9	Very low	28 Å²	28	91.3 Å²	91.3	14%	0.144	48%	0.475	C	S	.	.	H	α-helix	trans	-62.4	-44.7	178.9	-68	163.9	0	0	0	110	T5 H7 L12 Y13 W14 E75	T5-I10 HydrophobicContact CG2-CD1 4.07Å; H7-I10 HydrophobicContact CB-CD1 3.91Å; H7-I10 HydrophobicContact CB-CG1 4.25Å; H7-I10 PolarHBondContact O-N 3.08Å; H7-I10 VanDerWaalsContact O-N 3.09Å; I10-L12 VanDerWaalsContact C-N 3.28Å; I10-L12 PolarHBondContact O-N 3.29Å; I10-Y13 PolarHBondContact O-N 3.13Å; I10-Y13 VanDerWaalsContact O-N 3.16Å; I10-W14 PolarHBondContact O-N 2.79Å; I10-E75 WeakPolarHBondContact CG1-OE1 3.48Å
11	I	53.5	Low	48.4	Very low	108 Å²	108	90.8 Å²	90.8	55%	0.554	47%	0.472	S	S	*	.	H	α-helix	trans	-60.8	-40.7	178.1	-61.3	170.7	0	0	0	110.5	P8 Q9 Y13 W14 M15	P8-I11 PolarHBondContact O-N 3.16Å; Q9-I11 VanDerWaalsContact C-N 3.33Å; Q9-I11 PolarHBondContact O-N 2.85Å; I11-Y13 PolarHBondContact O-N 2.87Å; I11-W14 PolarHBondContact O-N 2.83Å; I11-M15 HydrophobicContact CG2-CG 4.42Å; I11-M15 VanDerWaalsContact O-CG 3.28Å; I11-M15 WeakPolarHBondContact O-CG 3.26Å; I11-M15 PolarHBondContact O-N 3.36Å
12	L	53.8	Low	49.9	Very low	117 Å²	117	83.4 Å²	83.4	61%	0.613	44%	0.437	S	S	*	.	H	α-helix	trans	-61	-42.5	175.5	-79.7	150.4	0	0	0	112.1	P8 Q9 I10 M15 E16	P8-L12 PolarHBondContact O-N 2.78Å; Q9-L12 WeakPolarHBondContact O-CB 3.37Å; Q9-L12 PolarHBondContact O-N 3.41Å; I10-L12 VanDerWaalsContact C-N 3.28Å; I10-L12 PolarHBondContact O-N 3.29Å; L12-M15 PolarHBondContact O-N 3.02Å; L12-E16 WeakPolarHBondContact O-CB 3.04Å; L12-E16 PolarHBondContact O-N 3.19Å
13	Y	53	Low	51.7	Low	31 Å²	31	78.4 Å²	78.4	12%	0.122	40%	0.402	C	S	.	.	H	α-helix	trans	-64.4	-41.1	176.2	-61.8	-49.2	0	0	0	112.8	Q9 I10 I11 M15 E16 L17 N50 E75	Q9-Y13 HydrophobicContact CB-CE2 4.12Å; Q9-Y13 WeakPolarHBondContact O-CD2 3.32Å; Q9-Y13 PolarHBondContact O-N 2.86Å; I10-Y13 PolarHBondContact O-N 3.13Å; I10-Y13 VanDerWaalsContact O-N 3.16Å; I11-Y13 PolarHBondContact O-N 2.87Å; Y13-M15 VanDerWaalsContact C-N 3.35Å; Y13-E16 PolarHBondContact O-N 3.39Å; Y13-L17 WeakPolarHBondContact O-CB 3.39Å; Y13-L17 PolarHBondContact O-N 2.78Å; Y13-N50 HydrophobicContact CE1-CB 4.45Å; Y13-E75 HydrophobicContact CD2-CG 4.19Å; Y13-E75 HydrophobicContact CE2-CB 4.48Å; Y13-E75 HydrophobicContact CE2-CG 4.19Å
14	W	50.8	Low	52.9	Low	121 Å²	121	73.3 Å²	73.3	46%	0.458	38%	0.376	S	S	.	.	H	α-helix	trans	-63.9	-40.3	174.8	-74.8	105.2	0	0	0	112	I10 I11 L17 I18 Y78	I10-W14 PolarHBondContact O-N 2.79Å; I11-W14 PolarHBondContact O-N 2.83Å; W14-L17 HydrophobicContact CE3-CD2 4.32Å; W14-L17 PolarHBondContact O-N 3.04Å; W14-I18 VanDerWaalsContact O-CG1 3.27Å; W14-I18 WeakPolarHBondContact O-CG1 3.22Å; W14-I18 PolarHBondContact O-N 3.39Å; W14-Y78 AromaticContact CH2-CE1 4Å; W14-Y78 HydrophobicContact CH2-CE1 4Å; W14-Y78 AromaticContact CH2-CZ 3.79Å; W14-Y78 WeakPolarHBondContact CH2-OH 3.39Å; W14-Y78 HydrophobicContact CZ2-CE1 4.49Å; W14-Y78 HydrophobicContact CZ2-CE2 4.38Å; W14-Y78 HydrophobicContact CZ3-CE1 4.39Å
15	M	55.8	Low	54.1	Low	117 Å²	117	67.3 Å²	67.3	58%	0.576	36%	0.361	S	S	*	.	H	α-helix	trans	-65.3	-40.9	176	-69.9	-58.9	-64.2	0	0	111.9	I11 L12 Y13 I18 L19	I11-M15 HydrophobicContact CG2-CG 4.42Å; I11-M15 VanDerWaalsContact O-CG 3.28Å; I11-M15 WeakPolarHBondContact O-CG 3.26Å; I11-M15 PolarHBondContact O-N 3.36Å; L12-M15 PolarHBondContact O-N 3.02Å; Y13-M15 VanDerWaalsContact C-N 3.35Å; M15-I18 PolarHBondContact O-N 3Å; M15-L19 WeakPolarHBondContact O-CB 3.47Å; M15-L19 PolarHBondContact O-N 3Å
16	E	54.1	Low	55.1	Low	23 Å²	23	66.6 Å²	66.6	11%	0.107	35%	0.354	C	S	.	.	H	α-helix	trans	-64.7	-39.1	176	-168.8	174.4	-158.7	0	0	111.7	L12 Y13 L19 G20 S46 S47 N50 Q79 Y86	L12-E16 WeakPolarHBondContact O-CB 3.04Å; L12-E16 PolarHBondContact O-N 3.19Å; Y13-E16 PolarHBondContact O-N 3.39Å; E16-L19 PolarHBondContact O-N 2.96Å; E16-G20 PolarHBondContact O-N 3.22Å; E16-S46 WeakPolarHBondContact OE1-CB 3.21Å; E16-S46 PolarHBondContact OE1-OG 2.9Å; E16-S47 PolarHBondContact OE1-N 3.48Å; E16-N50 PolarHBondContact OE2-ND2 3.45Å; E16-Q79 PolarHBondContact OE2-NE2 3.35Å; E16-Y86 PolarHBondContact O-OH 2.79Å
17	L	55.6	Low	55.8	Low	23 Å²	23	61.7 Å²	61.7	12%	0.12	32%	0.32	C	S	.	.	H	α-helix	trans	-65.3	-46.6	174.6	177.7	132.6	0	0	0	112.1	Y13 W14 L19 G20 I21 Y78 V82	Y13-L17 WeakPolarHBondContact O-CB 3.39Å; Y13-L17 PolarHBondContact O-N 2.78Å; W14-L17 HydrophobicContact CE3-CD2 4.32Å; W14-L17 PolarHBondContact O-N 3.04Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 3.33Å; L17-G20 PolarHBondContact O-N 3.1Å; L17-I21 HydrophobicContact CD2-CD1 3.68Å; L17-I21 HydrophobicContact CG-CD1 4.05Å; L17-I21 VanDerWaalsContact O-CG1 3.3Å; L17-I21 WeakPolarHBondContact O-CG1 2.89Å; L17-I21 PolarHBondContact O-N 2.86Å; L17-Y78 HydrophobicContact CD1-CD1 3.98Å; L17-V82 HydrophobicContact CB-CG2 3.65Å; L17-V82 HydrophobicContact CD1-CG2 3.6Å; L17-V82 HydrophobicContact CG-CG2 3.94Å
18	I	60.2	Low	56.1	Low	82 Å²	82	61.1 Å²	61.1	42%	0.421	33%	0.333	S	S	.	.	H	α-helix	trans	-60.9	-45	176.8	-69.7	165.7	0	0	0	110.2	W14 M15 G20 I21 I22	W14-I18 VanDerWaalsContact O-CG1 3.27Å; W14-I18 WeakPolarHBondContact O-CG1 3.22Å; W14-I18 PolarHBondContact O-N 3.39Å; M15-I18 PolarHBondContact O-N 3Å; I18-G20 VanDerWaalsContact C-N 3.35Å; I18-G20 PolarHBondContact O-N 2.88Å; I18-I21 PolarHBondContact O-N 3.45Å; I18-I22 HydrophobicContact CG2-CD1 3.77Å; I18-I22 VanDerWaalsContact O-CG1 3.28Å; I18-I22 WeakPolarHBondContact O-CG1 3.3Å; I18-I22 PolarHBondContact O-N 3.48Å
19	L	61.7	Low	56.6	Low	79 Å²	79	64.4 Å²	64.4	41%	0.414	34%	0.339	S	S	.	.	H	α-helix	trans	-62.2	-42.2	178	-171	65.2	0	0	0	111.5	M15 E16 L17 I22 C23	M15-L19 WeakPolarHBondContact O-CB 3.47Å; M15-L19 PolarHBondContact O-N 3Å; E16-L19 PolarHBondContact O-N 2.96Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 3.33Å; L19-I22 PolarHBondContact O-N 2.97Å; L19-C23 WeakPolarHBondContact O-CB 3.49Å; L19-C23 PolarHBondContact O-N 3.06Å; L19-C23 PolarHBondContact O-SG 3.09Å
20	G	58	Low	56.8	Low	2 Å²	2	63.7 Å²	63.7	2%	0.021	35%	0.351	C	S	.	.	H	α-helix	trans	-61.8	-44.9	176.1	0	0	0	0	0	113.1	E16 L17 I18 I22 C23 I24 Y86	E16-G20 PolarHBondContact O-N 3.22Å; L17-G20 PolarHBondContact O-N 3.1Å; I18-G20 VanDerWaalsContact C-N 3.35Å; I18-G20 PolarHBondContact O-N 2.88Å; G20-I22 PolarHBondContact O-N 3.24Å; G20-C23 PolarHBondContact O-N 3.04Å; G20-I24 VanDerWaalsContact O-CD1 3.3Å; G20-I24 WeakPolarHBondContact O-CD1 3.38Å; G20-I24 WeakPolarHBondContact O-CG1 3.32Å; G20-I24 PolarHBondContact O-N 2.7Å; G20-Y86 VanDerWaalsContact CA-CZ 3.49Å; G20-Y86 WeakPolarHBondContact CA-OH 3.47Å; G20-Y86 PolarHBondContact N-OH 3.45Å
21	I	57.8	Low	57.2	Low	81 Å²	81	68 Å²	68	42%	0.415	37%	0.366	S	S	.	.	H	α-helix	trans	-60.8	-44.7	175.9	-67.3	165.4	0	0	0	110.9	L17 I18 C23 I24 A25 L85	L17-I21 HydrophobicContact CD2-CD1 3.68Å; L17-I21 HydrophobicContact CG-CD1 4.05Å; L17-I21 VanDerWaalsContact O-CG1 3.3Å; L17-I21 WeakPolarHBondContact O-CG1 2.89Å; L17-I21 PolarHBondContact O-N 2.86Å; I18-I21 PolarHBondContact O-N 3.45Å; I21-C23 VanDerWaalsContact C-N 3.34Å; I21-C23 PolarHBondContact O-N 2.93Å; I21-I24 PolarHBondContact O-N 2.77Å; I21-A25 WeakPolarHBondContact O-CB 3.32Å; I21-A25 PolarHBondContact O-N 3.5Å; I21-L85 HydrophobicContact CG1-CD1 4.29Å
22	I	65	Low	57.4	Low	83 Å²	83	64.9 Å²	64.9	43%	0.426	35%	0.35	S	S	.	.	H	α-helix	trans	-62.1	-43.7	177.2	-67.7	165.9	0	0	0	110.4	I18 L19 G20 I24 A25 L26	I18-I22 HydrophobicContact CG2-CD1 3.77Å; I18-I22 VanDerWaalsContact O-CG1 3.28Å; I18-I22 WeakPolarHBondContact O-CG1 3.3Å; I18-I22 PolarHBondContact O-N 3.48Å; L19-I22 PolarHBondContact O-N 2.97Å; G20-I22 PolarHBondContact O-N 3.24Å; I22-I24 VanDerWaalsContact C-N 3.32Å; I22-I24 PolarHBondContact O-N 2.88Å; I22-A25 PolarHBondContact O-N 2.87Å; I22-L26 HydrophobicContact CG2-CD1 3.82Å; I22-L26 HydrophobicContact CG2-CG 4.27Å; I22-L26 WeakPolarHBondContact O-CB 3.13Å; I22-L26 VanDerWaalsContact O-CG 3.28Å; I22-L26 WeakPolarHBondContact O-CG 3.31Å; I22-L26 PolarHBondContact O-N 3.27Å
23	C	63.4	Low	57.9	Low	2 Å²	2	65.9 Å²	65.9	1%	0.014	35%	0.352	C	S	.	.	H	α-helix	trans	-60.5	-40.8	178.3	-69.1	0	0	0	0	112.1	L19 G20 I21 L26 A27 I40	L19-C23 WeakPolarHBondContact O-CB 3.49Å; L19-C23 PolarHBondContact O-N 3.06Å; L19-C23 PolarHBondContact O-SG 3.09Å; G20-C23 PolarHBondContact O-N 3.04Å; I21-C23 VanDerWaalsContact C-N 3.34Å; I21-C23 PolarHBondContact O-N 2.93Å; C23-L26 PolarHBondContact O-N 3.37Å; C23-A27 VanDerWaalsContact O-CB 3.28Å; C23-A27 WeakPolarHBondContact O-CB 3.24Å; C23-A27 PolarHBondContact O-N 3.16Å; C23-I40 HydrophobicContact CB-CD1 4.4Å; C23-I40 HydrophobicContact CB-CG1 3.75Å
24	I	58.8	Low	58.2	Low	33 Å²	33	68.6 Å²	68.6	17%	0.169	37%	0.368	C	S	.	.	H	α-helix	trans	-68.4	-42.7	176.3	-67.2	152.8	0	0	0	111.5	G20 I21 I22 L26 A27 G28 L85 A89	G20-I24 VanDerWaalsContact O-CD1 3.3Å; G20-I24 WeakPolarHBondContact O-CD1 3.38Å; G20-I24 WeakPolarHBondContact O-CG1 3.32Å; G20-I24 PolarHBondContact O-N 2.7Å; I21-I24 PolarHBondContact O-N 2.77Å; I22-I24 VanDerWaalsContact C-N 3.32Å; I22-I24 PolarHBondContact O-N 2.88Å; I24-L26 VanDerWaalsContact C-N 3.29Å; I24-L26 PolarHBondContact O-N 2.94Å; I24-A27 PolarHBondContact O-N 3.39Å; I24-G28 PolarHBondContact O-N 2.88Å; I24-L85 HydrophobicContact CD1-CB 3.36Å; I24-L85 HydrophobicContact CD1-CD2 3.42Å; I24-L85 VanDerWaalsContact CD1-CD2 3.42Å; I24-L85 HydrophobicContact CD1-CG 3.95Å; I24-L85 WeakPolarHBondContact CD1-O 3.44Å; I24-L85 WeakPolarHBondContact CG1-O 3.49Å; I24-A89 HydrophobicContact CB-CB 4.38Å; I24-A89 HydrophobicContact CD1-CB 4.35Å; I24-A89 HydrophobicContact CG1-CB 3.34Å
25	A	57.6	Low	58.4	Low	61 Å²	61	65.3 Å²	65.3	50%	0.504	37%	0.372	S	S	.	.	H	α-helix	trans	-62.2	-39.4	177.5	0	0	0	0	0	111.5	I21 I22 K29	I21-A25 WeakPolarHBondContact O-CB 3.32Å; I21-A25 PolarHBondContact O-N 3.5Å; I22-A25 PolarHBondContact O-N 2.87Å; A25-K29 WeakPolarHBondContact O-CB 3.43Å; A25-K29 PolarHBondContact O-N 3.14Å; A25-K29 VanDerWaalsContact O-N 3.16Å
26	L	61.4	Low	58.6	Low	63 Å²	63	60.7 Å²	60.7	33%	0.33	35%	0.35	S	S	.	.	H	α-helix	trans	-69.4	-45.5	175.5	-69.7	173.8	0	0	0	111.7	I22 C23 I24 G28 K29 G30 Y31 L36	I22-L26 HydrophobicContact CG2-CD1 3.82Å; I22-L26 HydrophobicContact CG2-CG 4.27Å; I22-L26 WeakPolarHBondContact O-CB 3.13Å; I22-L26 VanDerWaalsContact O-CG 3.28Å; I22-L26 WeakPolarHBondContact O-CG 3.31Å; I22-L26 PolarHBondContact O-N 3.27Å; C23-L26 PolarHBondContact O-N 3.37Å; I24-L26 VanDerWaalsContact C-N 3.29Å; I24-L26 PolarHBondContact O-N 2.94Å; L26-G28 PolarHBondContact O-N 3.08Å; L26-K29 PolarHBondContact O-N 2.8Å; L26-G30 PolarHBondContact O-N 3.43Å; L26-Y31 HydrophobicContact CD2-CD2 4.05Å; L26-Y31 HydrophobicContact CD2-CE2 4.4Å; L26-Y31 WeakPolarHBondContact O-CB 3.29Å; L26-Y31 PolarHBondContact O-N 3.34Å; L26-Y31 VanDerWaalsContact O-N 3.15Å; L26-L36 HydrophobicContact CB-CD1 4.13Å; L26-L36 HydrophobicContact CB-CD2 3.69Å; L26-L36 HydrophobicContact CD1-CD1 3.83Å
27	A	57.7	Low	58.8	Low	7 Å²	7	60.1 Å²	60.1	6%	0.058	35%	0.347	C	S	.	.	H	α-helix	trans	-59.5	-46.3	175.5	0	0	0	0	0	112	C23 I24 K29 G30 L36 I40 T93	C23-A27 VanDerWaalsContact O-CB 3.28Å; C23-A27 WeakPolarHBondContact O-CB 3.24Å; C23-A27 PolarHBondContact O-N 3.16Å; I24-A27 PolarHBondContact O-N 3.39Å; A27-K29 VanDerWaalsContact C-N 3.26Å; A27-K29 PolarHBondContact O-N 3.5Å; A27-G30 PolarHBondContact O-N 3.36Å; A27-L36 HydrophobicContact CB-CD2 4.48Å; A27-I40 HydrophobicContact CB-CD1 4.15Å; A27-T93 HydrophobicContact CB-CG2 3.56Å
28	G	53.3	Low	58.9	Low	59 Å²	59	66 Å²	66	61%	0.608	37%	0.368	S	S	*	.	H	α-helix	trans	-66.9	-23.3	178.6	0	0	0	0	0	114.1	I24 L26 G30	I24-G28 PolarHBondContact O-N 2.88Å; L26-G28 PolarHBondContact O-N 3.08Å; G28-G30 VanDerWaalsContact C-N 3.26Å
29	K	60.2	Low	58.9	Low	158 Å²	158	65.7 Å²	65.7	69%	0.687	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	0.2	173.4	-165.3	167.9	170.6	-172.5	0	112.8	A25 L26 A27 Y31	A25-K29 WeakPolarHBondContact O-CB 3.43Å; A25-K29 PolarHBondContact O-N 3.14Å; A25-K29 VanDerWaalsContact O-N 3.16Å; L26-K29 PolarHBondContact O-N 2.8Å; A27-K29 VanDerWaalsContact C-N 3.26Å; A27-K29 PolarHBondContact O-N 3.5Å; K29-Y31 HydrophobicContact CB-CD2 4.05Å; K29-Y31 HydrophobicContact CB-CE2 4.19Å; K29-Y31 HydrophobicContact CD-CE2 3.87Å; K29-Y31 HydrophobicContact CG-CD2 4.27Å; K29-Y31 HydrophobicContact CG-CE2 3.92Å
30	G	52.8	Low	59	Low	59 Å²	59	62 Å²	62	61%	0.608	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	15.1	176.9	0	0	0	0	0	114.5	L26 A27 G28 N32	L26-G30 PolarHBondContact O-N 3.43Å; A27-G30 PolarHBondContact O-N 3.36Å; G28-G30 VanDerWaalsContact C-N 3.26Å; G30-N32 PolarHBondContact O-N 3.03Å
31	Y	55.7	Low	59.1	Low	120 Å²	120	62.8 Å²	62.8	47%	0.471	36%	0.356	S	S	.	.			trans	-74.5	91.6	170.7	-71.8	-83.1	0	0	0	109	L26 K29 E33 L36	L26-Y31 HydrophobicContact CD2-CD2 4.05Å; L26-Y31 HydrophobicContact CD2-CE2 4.4Å; L26-Y31 WeakPolarHBondContact O-CB 3.29Å; L26-Y31 PolarHBondContact O-N 3.34Å; L26-Y31 VanDerWaalsContact O-N 3.15Å; K29-Y31 HydrophobicContact CB-CD2 4.05Å; K29-Y31 HydrophobicContact CB-CE2 4.19Å; K29-Y31 HydrophobicContact CD-CE2 3.87Å; K29-Y31 HydrophobicContact CG-CD2 4.27Å; K29-Y31 HydrophobicContact CG-CE2 3.92Å; Y31-E33 VanDerWaalsContact C-N 3.33Å; Y31-E33 PolarHBondContact O-N 3.45Å; Y31-L36 WeakPolarHBondContact O-CD2 3.49Å
32	N	59.1	Low	59.2	Low	41 Å²	41	64.4 Å²	64.4	22%	0.219	37%	0.365	C	S	.	.			trans	-99.2	34.9	-176.5	-153.8	9.2	0	0	0	113.1	G30 Q37 Q96	G30-N32 PolarHBondContact O-N 3.03Å; N32-Q37 PolarHBondContact O-NE2 2.72Å; N32-Q37 PolarHBondContact OD1-NE2 3.32Å; N32-Q96 PolarHBondContact ND2-OE1 3.36Å
33	E	63.6	Low	58.9	Low	138 Å²	138	61 Å²	61	65%	0.645	35%	0.349	S	S	*	.			trans	-64.2	136.6	177.2	-69.8	-69.8	171	0	0	110.2	Y31 G35 L36 Q37	Y31-E33 VanDerWaalsContact C-N 3.33Å; Y31-E33 PolarHBondContact O-N 3.45Å; E33-G35 PolarHBondContact O-N 3.24Å; E33-G35 VanDerWaalsContact O-N 3.08Å; E33-L36 WeakPolarHBondContact O-CB 3.49Å; E33-L36 PolarHBondContact O-N 3.16Å; E33-Q37 PolarHBondContact O-N 3.21Å
34	L	58.7	Low	58.7	Low	89 Å²	89	61.1 Å²	61.1	47%	0.466	35%	0.35	S	S	.	.	H	α-helix	trans	-51.8	-39.3	-178.2	-142.1	91.7	0	0	0	111.4	L36 Q37 Y38	L34-L36 VanDerWaalsContact C-N 3.34Å; L34-L36 PolarHBondContact O-N 3.15Å; L34-Q37 PolarHBondContact O-N 3.43Å; L34-Y38 HydrophobicContact CD2-CD2 4.44Å; L34-Y38 HydrophobicContact CD2-CE2 3.78Å; L34-Y38 HydrophobicContact CG-CD2 4.47Å; L34-Y38 HydrophobicContact CG-CE2 4.12Å; L34-Y38 WeakPolarHBondContact O-CD2 3.47Å; L34-Y38 PolarHBondContact O-N 2.88Å; L34-Y38 VanDerWaalsContact O-N 3.14Å
35	G	56.7	Low	58.7	Low	52 Å²	52	65.6 Å²	65.6	54%	0.536	37%	0.369	S	S	.	.	H	α-helix	trans	-63.6	-33.8	178	0	0	0	0	0	114.1	E33 L39	E33-G35 PolarHBondContact O-N 3.24Å; E33-G35 VanDerWaalsContact O-N 3.08Å; G35-L39 WeakPolarHBondContact O-CB 3.4Å; G35-L39 PolarHBondContact O-N 2.89Å
36	L	59.9	Low	58.7	Low	20 Å²	20	65.2 Å²	65.2	11%	0.105	36%	0.362	C	S	.	.	H	α-helix	trans	-70.9	-38.1	178.1	-167.9	75.6	0	0	0	111.1	L26 A27 Y31 E33 L34 L39 I40	L26-L36 HydrophobicContact CB-CD1 4.13Å; L26-L36 HydrophobicContact CB-CD2 3.69Å; L26-L36 HydrophobicContact CD1-CD1 3.83Å; A27-L36 HydrophobicContact CB-CD2 4.48Å; Y31-L36 WeakPolarHBondContact O-CD2 3.49Å; E33-L36 WeakPolarHBondContact O-CB 3.49Å; E33-L36 PolarHBondContact O-N 3.16Å; L34-L36 VanDerWaalsContact C-N 3.34Å; L34-L36 PolarHBondContact O-N 3.15Å; L36-L39 PolarHBondContact O-N 2.78Å; L36-I40 HydrophobicContact CD2-CD1 4.43Å; L36-I40 HydrophobicContact CG-CD1 4.12Å; L36-I40 WeakPolarHBondContact O-CB 3.41Å; L36-I40 WeakPolarHBondContact O-CD1 3.43Å; L36-I40 VanDerWaalsContact O-CG1 3.24Å; L36-I40 WeakPolarHBondContact O-CG1 3.38Å; L36-I40 PolarHBondContact O-N 3.47Å
37	Q	57.5	Low	58.7	Low	10 Å²	10	62.2 Å²	62.2	5%	0.047	35%	0.346	C	S	.	.	H	α-helix	trans	-66.1	-41.7	175.7	-67	163	36.2	0	0	112.2	N32 E33 L34 L39 I40 G41 T93	N32-Q37 PolarHBondContact O-NE2 2.72Å; N32-Q37 PolarHBondContact OD1-NE2 3.32Å; E33-Q37 PolarHBondContact O-N 3.21Å; L34-Q37 PolarHBondContact O-N 3.43Å; Q37-L39 VanDerWaalsContact C-N 3.32Å; Q37-L39 PolarHBondContact O-N 2.78Å; Q37-I40 PolarHBondContact O-N 2.8Å; Q37-G41 PolarHBondContact O-N 3Å; Q37-T93 HydrophobicContact CG-CG2 4.48Å
38	Y	57.8	Low	58.8	Low	147 Å²	147	63.8 Å²	63.8	58%	0.576	35%	0.354	S	S	*	.	H	α-helix	trans	-61.7	-42	173	-83.8	-70.2	0	0	0	111.4	L34 G41 I42	L34-Y38 HydrophobicContact CD2-CD2 4.44Å; L34-Y38 HydrophobicContact CD2-CE2 3.78Å; L34-Y38 HydrophobicContact CG-CD2 4.47Å; L34-Y38 HydrophobicContact CG-CE2 4.12Å; L34-Y38 WeakPolarHBondContact O-CD2 3.47Å; L34-Y38 PolarHBondContact O-N 2.88Å; L34-Y38 VanDerWaalsContact O-N 3.14Å; Y38-G41 PolarHBondContact O-N 2.96Å; Y38-I42 WeakPolarHBondContact O-CB 2.99Å; Y38-I42 VanDerWaalsContact O-CG1 3.25Å; Y38-I42 WeakPolarHBondContact O-CG1 3.3Å; Y38-I42 PolarHBondContact O-N 2.89Å
39	L	61.3	Low	59.1	Low	75 Å²	75	62.8 Å²	62.8	39%	0.393	34%	0.343	S	S	.	.	H	α-helix	trans	-63	-43.7	177.5	-171.8	66.5	0	0	0	111.8	G35 L36 Q37 G43	G35-L39 WeakPolarHBondContact O-CB 3.4Å; G35-L39 PolarHBondContact O-N 2.89Å; L36-L39 PolarHBondContact O-N 2.78Å; Q37-L39 VanDerWaalsContact C-N 3.32Å; Q37-L39 PolarHBondContact O-N 2.78Å; L39-G43 PolarHBondContact O-N 3.37Å
40	I	63.4	Low	59	Low	1 Å²	1	57.4 Å²	57.4	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-60.9	-46.1	174	-71.6	163.8	0	0	0	110.6	C23 A27 L36 Q37 G43 T44 Y86 A89 I90 T93	C23-I40 HydrophobicContact CB-CD1 4.4Å; C23-I40 HydrophobicContact CB-CG1 3.75Å; A27-I40 HydrophobicContact CB-CD1 4.15Å; L36-I40 HydrophobicContact CD2-CD1 4.43Å; L36-I40 HydrophobicContact CG-CD1 4.12Å; L36-I40 WeakPolarHBondContact O-CB 3.41Å; L36-I40 WeakPolarHBondContact O-CD1 3.43Å; L36-I40 VanDerWaalsContact O-CG1 3.24Å; L36-I40 WeakPolarHBondContact O-CG1 3.38Å; L36-I40 PolarHBondContact O-N 3.47Å; Q37-I40 PolarHBondContact O-N 2.8Å; I40-G43 PolarHBondContact O-N 2.75Å; I40-T44 WeakPolarHBondContact O-CB 3.26Å; I40-T44 PolarHBondContact O-N 3.26Å; I40-T44 PolarHBondContact O-OG1 3.31Å; I40-Y86 HydrophobicContact CG2-CD1 4.39Å; I40-A89 HydrophobicContact CD1-CB 4.18Å; I40-A89 HydrophobicContact CG1-CB 4.35Å; I40-A89 HydrophobicContact CG2-CB 3.93Å; I40-I90 HydrophobicContact CG2-CD1 4.41Å; I40-I90 HydrophobicContact CG2-CG1 3.54Å; I40-T93 HydrophobicContact CD1-CG2 3.99Å
41	G	59.1	Low	59.4	Low	19 Å²	19	55.4 Å²	55.4	20%	0.196	30%	0.297	C	S	.	.	H	α-helix	trans	-60.9	-51.4	179.1	0	0	0	0	0	112.2	Q37 Y38 G43 T44 F45	Q37-G41 PolarHBondContact O-N 3Å; Y38-G41 PolarHBondContact O-N 2.96Å; G41-G43 VanDerWaalsContact C-N 3.33Å; G41-G43 PolarHBondContact O-N 3.14Å; G41-T44 WeakPolarHBondContact O-CB 3.44Å; G41-T44 PolarHBondContact O-N 2.91Å; G41-T44 VanDerWaalsContact O-N 3.16Å; G41-F45 WeakPolarHBondContact O-CD2 3.21Å; G41-F45 PolarHBondContact O-N 2.98Å
42	I	59.8	Low	59.5	Low	116 Å²	116	52.6 Å²	52.6	60%	0.595	29%	0.293	S	S	*	.	H	α-helix	trans	-61	-43.1	177.8	-65.9	164.5	0	0	0	110.7	Y38 T44 F45 S46	Y38-I42 WeakPolarHBondContact O-CB 2.99Å; Y38-I42 VanDerWaalsContact O-CG1 3.25Å; Y38-I42 WeakPolarHBondContact O-CG1 3.3Å; Y38-I42 PolarHBondContact O-N 2.89Å; I42-T44 VanDerWaalsContact C-N 3.29Å; I42-T44 PolarHBondContact O-N 3.43Å; I42-F45 PolarHBondContact O-N 3.34Å; I42-S46 WeakPolarHBondContact O-CB 3.48Å; I42-S46 PolarHBondContact O-N 3.43Å
43	G	60.1	Low	59.4	Low	10 Å²	10	55.6 Å²	55.6	10%	0.103	30%	0.304	C	S	.	.	H	α-helix	trans	-61.8	-36.9	176.1	0	0	0	0	0	112.8	L39 I40 G41 S46 S47	L39-G43 PolarHBondContact O-N 3.37Å; I40-G43 PolarHBondContact O-N 2.75Å; G41-G43 VanDerWaalsContact C-N 3.33Å; G41-G43 PolarHBondContact O-N 3.14Å; G43-S46 PolarHBondContact O-N 3.2Å; G43-S47 WeakPolarHBondContact O-CB 3.4Å; G43-S47 PolarHBondContact O-N 2.68Å; G43-S47 PolarHBondContact O-OG 2.88Å
44	T	59.4	Low	59.2	Low	5 Å²	5	49.4 Å²	49.4	3%	0.031	28%	0.275	C	S	.	.	H	α-helix	trans	-64.8	-49.1	175.8	-51.2	0	0	0	0	111	I40 G41 I42 S46 S47 I48 Y86 I90	I40-T44 WeakPolarHBondContact O-CB 3.26Å; I40-T44 PolarHBondContact O-N 3.26Å; I40-T44 PolarHBondContact O-OG1 3.31Å; G41-T44 WeakPolarHBondContact O-CB 3.44Å; G41-T44 PolarHBondContact O-N 2.91Å; G41-T44 VanDerWaalsContact O-N 3.16Å; I42-T44 VanDerWaalsContact C-N 3.29Å; I42-T44 PolarHBondContact O-N 3.43Å; T44-S46 VanDerWaalsContact C-N 3.34Å; T44-S46 PolarHBondContact O-N 2.89Å; T44-S47 PolarHBondContact O-N 3.02Å; T44-S47 PolarHBondContact O-OG 3.41Å; T44-I48 HydrophobicContact CG2-CD1 3.97Å; T44-I48 WeakPolarHBondContact O-CG1 3.37Å; T44-I48 PolarHBondContact O-N 3.47Å; T44-Y86 WeakPolarHBondContact OG1-CB 3.34Å; T44-I90 HydrophobicContact CG2-CD1 3.84Å; T44-I90 VanDerWaalsContact OG1-CD1 3.26Å; T44-I90 WeakPolarHBondContact OG1-CD1 3.43Å
45	F	57.9	Low	59.2	Low	127 Å²	127	47.9 Å²	47.9	56%	0.557	27%	0.267	S	S	*	.	H	α-helix	trans	-61.8	-40.5	177.2	-79.7	-72.4	0	0	0	112.7	G41 I42 I48 G49 I107	G41-F45 WeakPolarHBondContact O-CD2 3.21Å; G41-F45 PolarHBondContact O-N 2.98Å; I42-F45 PolarHBondContact O-N 3.34Å; F45-I48 PolarHBondContact O-N 3.17Å; F45-G49 PolarHBondContact O-N 2.96Å; F45-I107 HydrophobicContact CE2-CD1 4.36Å; F45-I107 HydrophobicContact CZ-CD1 3.77Å
46	S	58.5	Low	59.3	Low	53 Å²	53	50.6 Å²	50.6	37%	0.371	27%	0.269	S	S	.	.	H	α-helix	trans	-58.6	-49.8	172.8	175.7	0	0	0	0	111.2	E16 I42 G43 T44 I48 G49 N50	E16-S46 WeakPolarHBondContact OE1-CB 3.21Å; E16-S46 PolarHBondContact OE1-OG 2.9Å; I42-S46 WeakPolarHBondContact O-CB 3.48Å; I42-S46 PolarHBondContact O-N 3.43Å; G43-S46 PolarHBondContact O-N 3.2Å; T44-S46 VanDerWaalsContact C-N 3.34Å; T44-S46 PolarHBondContact O-N 2.89Å; S46-I48 PolarHBondContact O-N 3.16Å; S46-G49 PolarHBondContact O-N 3.29Å; S46-N50 PolarHBondContact O-N 3.4Å
47	S	60.3	Low	59	Low	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-62.5	-41.7	-179	75.2	0	0	0	0	112.5	E16 G43 T44 N50 I51 T83	E16-S47 PolarHBondContact OE1-N 3.48Å; G43-S47 WeakPolarHBondContact O-CB 3.4Å; G43-S47 PolarHBondContact O-N 2.68Å; G43-S47 PolarHBondContact O-OG 2.88Å; T44-S47 PolarHBondContact O-N 3.02Å; T44-S47 PolarHBondContact O-OG 3.41Å; S47-N50 PolarHBondContact O-N 2.89Å; S47-I51 WeakPolarHBondContact O-CG1 3.41Å; S47-I51 PolarHBondContact O-N 3.46Å; S47-T83 WeakPolarHBondContact CB-OG1 3.41Å; S47-T83 PolarHBondContact OG-OG1 3.28Å
48	I	60.8	Low	58.8	Low	41 Å²	41	55.2 Å²	55.2	21%	0.21	30%	0.295	C	S	.	.	H	α-helix	trans	-64.1	-45.2	175.7	-66.9	167.3	0	0	0	110.3	T44 F45 S46 N50 I51 V52 T83	T44-I48 HydrophobicContact CG2-CD1 3.97Å; T44-I48 WeakPolarHBondContact O-CG1 3.37Å; T44-I48 PolarHBondContact O-N 3.47Å; F45-I48 PolarHBondContact O-N 3.17Å; S46-I48 PolarHBondContact O-N 3.16Å; I48-N50 VanDerWaalsContact C-N 3.25Å; I48-N50 PolarHBondContact O-N 3.3Å; I48-I51 PolarHBondContact O-N 2.92Å; I48-V52 WeakPolarHBondContact O-CG2 3.34Å; I48-V52 PolarHBondContact O-N 3.32Å; I48-T83 HydrophobicContact CG1-CG2 4.02Å
49	G	57.8	Low	58.6	Low	38 Å²	38	53 Å²	53	39%	0.392	29%	0.289	S	S	.	.	H	α-helix	trans	-57.7	-40.1	176	0	0	0	0	0	112.1	F45 S46 V52 F53	F45-G49 PolarHBondContact O-N 2.96Å; S46-G49 PolarHBondContact O-N 3.29Å; G49-V52 PolarHBondContact O-N 3.07Å; G49-F53 WeakPolarHBondContact O-CB 3.46Å; G49-F53 PolarHBondContact O-N 3.44Å
50	N	58.9	Low	58.1	Low	44 Å²	44	53.4 Å²	53.4	24%	0.235	30%	0.303	C	S	.	.	H	α-helix	trans	-71.2	-36.7	177	-70.9	-23.7	0	0	0	112.8	Y13 E16 S46 S47 I48 V52 F53 L54 Q79	Y13-N50 HydrophobicContact CE1-CB 4.45Å; E16-N50 PolarHBondContact OE2-ND2 3.45Å; S46-N50 PolarHBondContact O-N 3.4Å; S47-N50 PolarHBondContact O-N 2.89Å; I48-N50 VanDerWaalsContact C-N 3.25Å; I48-N50 PolarHBondContact O-N 3.3Å; N50-V52 VanDerWaalsContact C-N 3.34Å; N50-V52 PolarHBondContact O-N 2.97Å; N50-F53 PolarHBondContact O-N 2.89Å; N50-L54 WeakPolarHBondContact O-CB 3.3Å; N50-L54 WeakPolarHBondContact O-CG 3.1Å; N50-L54 PolarHBondContact O-N 3.43Å; N50-Q79 HydrophobicContact CB-CG 3.99Å; N50-Q79 PolarHBondContact ND2-NE2 2.85Å
51	I	61.5	Low	57.5	Low	17 Å²	17	55.3 Å²	55.3	9%	0.087	32%	0.315	C	S	.	.	H	α-helix	trans	-59	-48.7	170.9	-67.9	177.7	0	0	0	109.9	S47 I48 F53 L54 L55 Q79 T83	S47-I51 WeakPolarHBondContact O-CG1 3.41Å; S47-I51 PolarHBondContact O-N 3.46Å; I48-I51 PolarHBondContact O-N 2.92Å; I51-F53 VanDerWaalsContact C-N 3.33Å; I51-F53 PolarHBondContact O-N 2.88Å; I51-L54 PolarHBondContact O-N 3.5Å; I51-L55 WeakPolarHBondContact O-CB 3.49Å; I51-L55 PolarHBondContact O-N 2.94Å; I51-Q79 HydrophobicContact CB-CG 4.48Å; I51-Q79 HydrophobicContact CG1-CB 3.86Å; I51-Q79 HydrophobicContact CG1-CG 3.49Å; I51-Q79 VanDerWaalsContact CG1-CG 3.49Å; I51-T83 HydrophobicContact CD1-CG2 4.19Å; I51-T83 WeakPolarHBondContact CD1-OG1 3.41Å
52	V	58.1	Low	57	Low	62 Å²	62	59.3 Å²	59.3	38%	0.376	34%	0.335	S	S	.	.	H	α-helix	trans	-62.5	-42.6	179.8	172.1	0	0	0	0	110.5	I48 G49 N50 L55 L56	I48-V52 WeakPolarHBondContact O-CG2 3.34Å; I48-V52 PolarHBondContact O-N 3.32Å; G49-V52 PolarHBondContact O-N 3.07Å; N50-V52 VanDerWaalsContact C-N 3.34Å; N50-V52 PolarHBondContact O-N 2.97Å; V52-L55 PolarHBondContact O-N 3.22Å; V52-L56 HydrophobicContact CG1-CD1 3.63Å; V52-L56 WeakPolarHBondContact O-CB 3.46Å; V52-L56 WeakPolarHBondContact O-CD1 3.33Å; V52-L56 PolarHBondContact O-N 2.9Å
53	F	56	Low	56.4	Low	103 Å²	103	64.7 Å²	64.7	45%	0.452	35%	0.348	S	S	.	.	H	α-helix	trans	-63	-47.8	175.9	-178.1	-96.5	0	0	0	112.1	G49 N50 I51 L55 L56 Y57	G49-F53 WeakPolarHBondContact O-CB 3.46Å; G49-F53 PolarHBondContact O-N 3.44Å; N50-F53 PolarHBondContact O-N 2.89Å; I51-F53 VanDerWaalsContact C-N 3.33Å; I51-F53 PolarHBondContact O-N 2.88Å; F53-L55 VanDerWaalsContact C-N 3.28Å; F53-L55 PolarHBondContact O-N 3.27Å; F53-L56 PolarHBondContact O-N 3.48Å; F53-Y57 WeakPolarHBondContact O-CB 3.5Å; F53-Y57 PolarHBondContact O-N 3Å
54	L	59.5	Low	55.9	Low	8 Å²	8	68.3 Å²	68.3	4%	0.042	37%	0.37	C	S	.	.	H	α-helix	trans	-63.5	-35.4	177.3	-78.6	-177.4	0	0	0	112.1	N50 I51 G58 E75 Q79	N50-L54 WeakPolarHBondContact O-CB 3.3Å; N50-L54 WeakPolarHBondContact O-CG 3.1Å; N50-L54 PolarHBondContact O-N 3.43Å; I51-L54 PolarHBondContact O-N 3.5Å; L54-G58 WeakPolarHBondContact O-CA 3.33Å; L54-G58 PolarHBondContact O-N 3.29Å; L54-E75 HydrophobicContact CD1-CB 3.97Å; L54-Q79 HydrophobicContact CD1-CB 4.31Å
55	L	59.7	Low	55.4	Low	57 Å²	57	74.6 Å²	74.6	30%	0.298	40%	0.402	S	S	.	.	H	α-helix	trans	-70.6	-49.7	177.3	-170.1	136.6	0	0	0	111	I51 V52 F53 Y57 G58 F59	I51-L55 WeakPolarHBondContact O-CB 3.49Å; I51-L55 PolarHBondContact O-N 2.94Å; V52-L55 PolarHBondContact O-N 3.22Å; F53-L55 VanDerWaalsContact C-N 3.28Å; F53-L55 PolarHBondContact O-N 3.27Å; L55-Y57 VanDerWaalsContact C-N 3.31Å; L55-Y57 PolarHBondContact O-N 2.92Å; L55-G58 PolarHBondContact O-N 3.11Å; L55-F59 HydrophobicContact CD1-CE2 4.45Å; L55-F59 HydrophobicContact CD2-CD2 3.69Å; L55-F59 HydrophobicContact CD2-CE2 3.51Å; L55-F59 HydrophobicContact CG-CD2 3.97Å; L55-F59 HydrophobicContact CG-CE2 3.7Å; L55-F59 WeakPolarHBondContact O-CD2 3.07Å; L55-F59 PolarHBondContact O-N 3.46Å
56	L	58.2	Low	55.1	Low	110 Å²	110	74.4 Å²	74.4	58%	0.576	41%	0.408	S	S	*	.	H	α-helix	trans	-57.8	-43.3	172.4	-86.4	152	0	0	0	111.8	V52 F53 F59 A60	V52-L56 HydrophobicContact CG1-CD1 3.63Å; V52-L56 WeakPolarHBondContact O-CB 3.46Å; V52-L56 WeakPolarHBondContact O-CD1 3.33Å; V52-L56 PolarHBondContact O-N 2.9Å; F53-L56 PolarHBondContact O-N 3.48Å; L56-F59 PolarHBondContact O-N 2.85Å; L56-A60 WeakPolarHBondContact O-CB 3.46Å; L56-A60 PolarHBondContact O-N 2.9Å
57	Y	52.8	Low	54.8	Low	95 Å²	95	74.3 Å²	74.3	37%	0.373	41%	0.414	S	S	.	.	H	α-helix	trans	-69.1	-36.8	178	-169	-113.3	0	0	0	111.3	F53 L55 A60 T61 K72	F53-Y57 WeakPolarHBondContact O-CB 3.5Å; F53-Y57 PolarHBondContact O-N 3Å; L55-Y57 VanDerWaalsContact C-N 3.31Å; L55-Y57 PolarHBondContact O-N 2.92Å; Y57-A60 PolarHBondContact O-N 3.19Å; Y57-T61 HydrophobicContact CD1-CG2 4.45Å; Y57-T61 HydrophobicContact CD2-CG2 4.09Å; Y57-T61 HydrophobicContact CE1-CG2 4.24Å; Y57-T61 HydrophobicContact CE2-CG2 3.8Å; Y57-T61 HydrophobicContact CG-CG2 4.38Å; Y57-T61 VanDerWaalsContact O-CB 3.27Å; Y57-T61 WeakPolarHBondContact O-CB 3.48Å; Y57-T61 WeakPolarHBondContact O-CG2 3.32Å; Y57-T61 PolarHBondContact O-N 2.71Å; Y57-T61 PolarHBondContact O-OG1 3.04Å; Y57-K72 HydrophobicContact CD1-CD 4.3Å; Y57-K72 HydrophobicContact CE1-CD 4.3Å; Y57-K72 VanDerWaalsContact CE1-CE 3.48Å
58	G	54.1	Low	54.4	Low	32 Å²	32	81.7 Å²	81.7	33%	0.33	44%	0.442	S	S	.	.	H	α-helix	trans	-61.4	-49.3	172.6	0	0	0	0	0	111.7	L54 L55 T61 T62	L54-G58 WeakPolarHBondContact O-CA 3.33Å; L54-G58 PolarHBondContact O-N 3.29Å; L55-G58 PolarHBondContact O-N 3.11Å; G58-T61 PolarHBondContact O-N 3.37Å; G58-T62 PolarHBondContact O-N 2.89Å
59	F	53.5	Low	54	Low	100 Å²	100	82 Å²	82	44%	0.439	45%	0.449	S	S	.	.	H	α-helix	trans	-63.8	-41.5	175.2	-79.6	-66.8	0	0	0	112.5	L55 L56 T61 T62	L55-F59 HydrophobicContact CD1-CE2 4.45Å; L55-F59 HydrophobicContact CD2-CD2 3.69Å; L55-F59 HydrophobicContact CD2-CE2 3.51Å; L55-F59 HydrophobicContact CG-CD2 3.97Å; L55-F59 HydrophobicContact CG-CE2 3.7Å; L55-F59 WeakPolarHBondContact O-CD2 3.07Å; L55-F59 PolarHBondContact O-N 3.46Å; L56-F59 PolarHBondContact O-N 2.85Å; F59-T61 VanDerWaalsContact C-N 3.32Å; F59-T61 PolarHBondContact O-N 3.21Å; F59-T62 WeakPolarHBondContact O-CG2 3.49Å; F59-T62 PolarHBondContact O-OG1 3.37Å
60	A	51.7	Low	53.9	Low	84 Å²	84	85.1 Å²	85.1	69%	0.694	46%	0.455	S	S	*	.	H	α-helix	trans	-71.8	-23	178.8	0	0	0	0	0	113.5	L56 Y57	L56-A60 WeakPolarHBondContact O-CB 3.46Å; L56-A60 PolarHBondContact O-N 2.9Å; Y57-A60 PolarHBondContact O-N 3.19Å
61	T	49.9	Very low	53.8	Low	41 Å²	41	87 Å²	87	25%	0.252	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	29.7	-177.7	62.5	0	0	0	0	113.7	Y57 G58 F59 R63 K72	Y57-T61 HydrophobicContact CD1-CG2 4.45Å; Y57-T61 HydrophobicContact CD2-CG2 4.09Å; Y57-T61 HydrophobicContact CE1-CG2 4.24Å; Y57-T61 HydrophobicContact CE2-CG2 3.8Å; Y57-T61 HydrophobicContact CG-CG2 4.38Å; Y57-T61 VanDerWaalsContact O-CB 3.27Å; Y57-T61 WeakPolarHBondContact O-CB 3.48Å; Y57-T61 WeakPolarHBondContact O-CG2 3.32Å; Y57-T61 PolarHBondContact O-N 2.71Å; Y57-T61 PolarHBondContact O-OG1 3.04Å; G58-T61 PolarHBondContact O-N 3.37Å; F59-T61 VanDerWaalsContact C-N 3.32Å; F59-T61 PolarHBondContact O-N 3.21Å; T61-R63 CarbonylContact O-C 3.59Å; T61-R63 PolarHBondContact O-N 3.37Å; T61-K72 PolarHBondContact OG1-NZ 3.32Å
62	T	48.7	Very low	53.6	Low	103 Å²	103	88.1 Å²	88.1	63%	0.632	47%	0.468	S	S	*	.			trans	-60.4	18.4	175.2	37.5	0	0	0	0	115.7	G58 F59	G58-T62 PolarHBondContact O-N 2.89Å; F59-T62 WeakPolarHBondContact O-CG2 3.49Å; F59-T62 PolarHBondContact O-OG1 3.37Å
63	R	46.4	Very low	53.6	Low	228 Å²	228	87.4 Å²	87.4	86%	0.86	46%	0.462	S	S	*	.			trans	-146.1	116.9	161.1	-66.2	-177.8	176.8	-174.7	-2.6	106.7	T61	T61-R63 CarbonylContact O-C 3.59Å; T61-R63 PolarHBondContact O-N 3.37Å
64	P	49.7	Very low	53.9	Low	87 Å²	87	86.3 Å²	86.3	57%	0.565	46%	0.46	S	S	*	.				-145.1	171.2	58.3	33.1	-10.4	0	0	0	116.1	D66	P64-D66 VanDerWaalsContact C-N 3.31Å; P64-D66 PolarHBondContact O-N 3.34Å
65	L	48.9	Very low	53.9	Low	136 Å²	136	87 Å²	87	71%	0.712	46%	0.464	S	S	*	.			trans	-70.4	2.7	-169.2	-89.5	84.4	0	0	0	117.6
66	D	52.5	Low	54	Low	124 Å²	124	86 Å²	86	66%	0.663	46%	0.459	S	S	*	.	S	Bend	trans	-114.6	82	-162.1	-64.2	-37.2	0	0	0	112.7	P64 W68	P64-D66 VanDerWaalsContact C-N 3.31Å; P64-D66 PolarHBondContact O-N 3.34Å; D66-W68 PolarHBondContact O-N 2.97Å
67	G	51.3	Low	54.2	Low	50 Å²	50	84.9 Å²	84.9	52%	0.515	45%	0.453	S	S	.	.	S	Bend	trans	61.6	-21.6	162.8	0	0	0	0	0	119.1	S69 I70	G67-S69 PolarHBondContact O-N 2.9Å; G67-I70 PolarHBondContact O-N 3.28Å
68	W	53.3	Low	54.6	Low	155 Å²	155	84.7 Å²	84.7	59%	0.587	45%	0.453	S	S	*	.	H	α-helix	trans	-69	-24.8	-179.3	-79.7	48.8	0	0	0	111.3	D66 I71 K72	D66-W68 PolarHBondContact O-N 2.97Å; W68-I71 PolarHBondContact O-N 3.28Å; W68-K72 WeakPolarHBondContact O-CG 3.28Å; W68-K72 PolarHBondContact O-N 3.4Å
69	S	52.9	Low	55	Low	49 Å²	49	83.4 Å²	83.4	34%	0.343	44%	0.438	S	S	.	.	H	α-helix	trans	-67.5	-37.9	178.2	-168.6	0	0	0	0	112.8	G67 K72 L73 L129	G67-S69 PolarHBondContact O-N 2.9Å; S69-K72 PolarHBondContact O-N 2.93Å; S69-L73 PolarHBondContact O-N 2.95Å; S69-L129 WeakPolarHBondContact OG-CD1 3.28Å
70	I	54.4	Low	55.4	Low	103 Å²	103	81.2 Å²	81.2	53%	0.528	43%	0.428	S	S	.	.	H	α-helix	trans	-67.3	-39.6	177.4	-62.9	171.3	0	0	0	110.8	G67 K72 L73 I74	G67-I70 PolarHBondContact O-N 3.28Å; I70-K72 PolarHBondContact O-N 2.97Å; I70-L73 WeakPolarHBondContact O-CB 3.45Å; I70-L73 PolarHBondContact O-N 3.36Å; I70-I74 HydrophobicContact CG2-CD1 3.94Å; I70-I74 HydrophobicContact CG2-CG1 4.5Å; I70-I74 VanDerWaalsContact O-CG1 3.3Å; I70-I74 WeakPolarHBondContact O-CG1 3.41Å; I70-I74 PolarHBondContact O-N 2.92Å
71	I	57.9	Low	55.8	Low	84 Å²	84	80.9 Å²	80.9	43%	0.431	41%	0.414	S	S	.	.	H	α-helix	trans	-63.5	-43.7	178.4	-62.2	174.7	0	0	0	110.2	W68 L73 I74 E75	W68-I71 PolarHBondContact O-N 3.28Å; I71-L73 VanDerWaalsContact C-N 3.34Å; I71-L73 PolarHBondContact O-N 3.02Å; I71-I74 WeakPolarHBondContact O-CB 3.34Å; I71-I74 PolarHBondContact O-N 3.47Å; I71-E75 WeakPolarHBondContact O-CG 3.1Å; I71-E75 PolarHBondContact O-N 3.18Å
72	K	56.6	Low	56.3	Low	39 Å²	39	79.2 Å²	79.2	17%	0.17	40%	0.404	C	S	.	.	H	α-helix	trans	-66.2	-34.5	176.4	-68.9	-172.8	-172.6	-173.7	0	113.3	Y57 T61 W68 S69 I70 E75 T76	Y57-K72 HydrophobicContact CD1-CD 4.3Å; Y57-K72 HydrophobicContact CE1-CD 4.3Å; Y57-K72 VanDerWaalsContact CE1-CE 3.48Å; T61-K72 PolarHBondContact OG1-NZ 3.32Å; W68-K72 WeakPolarHBondContact O-CG 3.28Å; W68-K72 PolarHBondContact O-N 3.4Å; S69-K72 PolarHBondContact O-N 2.93Å; I70-K72 PolarHBondContact O-N 2.97Å; K72-E75 PolarHBondContact O-N 2.94Å; K72-T76 PolarHBondContact O-N 2.78Å; K72-T76 PolarHBondContact O-OG1 3.38Å
73	L	58.3	Low	57.1	Low	48 Å²	48	74.9 Å²	74.9	25%	0.251	38%	0.377	S	S	.	.	H	α-helix	trans	-62.4	-46	172.4	179.1	70.1	0	0	0	110.7	S69 I70 I71 E75 T76 I77 L126 L129	S69-L73 PolarHBondContact O-N 2.95Å; I70-L73 WeakPolarHBondContact O-CB 3.45Å; I70-L73 PolarHBondContact O-N 3.36Å; I71-L73 VanDerWaalsContact C-N 3.34Å; I71-L73 PolarHBondContact O-N 3.02Å; L73-E75 VanDerWaalsContact C-N 3.34Å; L73-E75 PolarHBondContact O-N 3.49Å; L73-T76 PolarHBondContact O-N 3.24Å; L73-I77 HydrophobicContact CD1-CD1 4.41Å; L73-I77 HydrophobicContact CG-CD1 4.05Å; L73-I77 WeakPolarHBondContact O-CG1 3.43Å; L73-I77 PolarHBondContact O-N 3.48Å; L73-L126 HydrophobicContact CD1-CD1 3.89Å; L73-L126 HydrophobicContact CD2-CD1 3.98Å; L73-L129 HydrophobicContact CD2-CD2 4.1Å
74	I	61.2	Low	57.8	Low	79 Å²	79	67.5 Å²	67.5	41%	0.405	35%	0.354	S	S	.	.	H	α-helix	trans	-60	-45.5	176.5	-70.3	167.1	0	0	0	110.4	I70 I71 T76 I77 Y78	I70-I74 HydrophobicContact CG2-CD1 3.94Å; I70-I74 HydrophobicContact CG2-CG1 4.5Å; I70-I74 VanDerWaalsContact O-CG1 3.3Å; I70-I74 WeakPolarHBondContact O-CG1 3.41Å; I70-I74 PolarHBondContact O-N 2.92Å; I71-I74 WeakPolarHBondContact O-CB 3.34Å; I71-I74 PolarHBondContact O-N 3.47Å; I74-T76 VanDerWaalsContact C-N 3.32Å; I74-T76 PolarHBondContact O-N 2.97Å; I74-I77 PolarHBondContact O-N 2.92Å; I74-Y78 HydrophobicContact CG2-CD2 3.51Å; I74-Y78 HydrophobicContact CG2-CE2 3.35Å; I74-Y78 WeakPolarHBondContact O-CD2 3.48Å; I74-Y78 PolarHBondContact O-N 3.44Å
75	E	60.5	Low	58.4	Low	24 Å²	24	65.4 Å²	65.4	11%	0.112	34%	0.338	C	S	.	.	H	α-helix	trans	-58.1	-43.2	175.4	-72.5	176.8	170.7	0	0	112	I10 Y13 L54 I71 K72 L73 I77 Y78 Q79	I10-E75 WeakPolarHBondContact CG1-OE1 3.48Å; Y13-E75 HydrophobicContact CD2-CG 4.19Å; Y13-E75 HydrophobicContact CE2-CB 4.48Å; Y13-E75 HydrophobicContact CE2-CG 4.19Å; L54-E75 HydrophobicContact CD1-CB 3.97Å; I71-E75 WeakPolarHBondContact O-CG 3.1Å; I71-E75 PolarHBondContact O-N 3.18Å; K72-E75 PolarHBondContact O-N 2.94Å; L73-E75 VanDerWaalsContact C-N 3.34Å; L73-E75 PolarHBondContact O-N 3.49Å; E75-I77 PolarHBondContact O-N 3.12Å; E75-Y78 PolarHBondContact O-N 2.85Å; E75-Q79 WeakPolarHBondContact O-CB 3.44Å; E75-Q79 PolarHBondContact O-N 3.46Å
76	T	61.5	Low	59	Low	34 Å²	34	59 Å²	59	21%	0.209	31%	0.305	C	S	.	.	H	α-helix	trans	-63.8	-42.6	178.3	-53.1	0	0	0	0	111.6	K72 L73 I74 Q79 F80	K72-T76 PolarHBondContact O-N 2.78Å; K72-T76 PolarHBondContact O-OG1 3.38Å; L73-T76 PolarHBondContact O-N 3.24Å; I74-T76 VanDerWaalsContact C-N 3.32Å; I74-T76 PolarHBondContact O-N 2.97Å; T76-Q79 PolarHBondContact O-N 3.45Å; T76-F80 WeakPolarHBondContact O-CB 3.45Å; T76-F80 PolarHBondContact O-N 3.39Å
77	I	62.9	Low	59.5	Low	87 Å²	87	55.3 Å²	55.3	45%	0.446	29%	0.288	S	S	.	.	H	α-helix	trans	-64.3	-42.9	176.3	-67	166.7	0	0	0	110.7	L73 I74 E75 F80 I81	L73-I77 HydrophobicContact CD1-CD1 4.41Å; L73-I77 HydrophobicContact CG-CD1 4.05Å; L73-I77 WeakPolarHBondContact O-CG1 3.43Å; L73-I77 PolarHBondContact O-N 3.48Å; I74-I77 PolarHBondContact O-N 2.92Å; E75-I77 PolarHBondContact O-N 3.12Å; I77-F80 WeakPolarHBondContact O-CB 3.25Å; I77-F80 PolarHBondContact O-N 3.5Å; I77-I81 HydrophobicContact CG2-CD1 4.04Å; I77-I81 WeakPolarHBondContact O-CG1 3.4Å; I77-I81 PolarHBondContact O-N 2.88Å
78	Y	61.1	Low	60	Low	92 Å²	92	57 Å²	57	36%	0.361	28%	0.284	S	S	.	.	H	α-helix	trans	-60.2	-46.8	174.9	-86.8	-68	0	0	0	111.5	W14 L17 I74 E75 F80 I81 V82	W14-Y78 AromaticContact CH2-CE1 4Å; W14-Y78 HydrophobicContact CH2-CE1 4Å; W14-Y78 AromaticContact CH2-CZ 3.79Å; W14-Y78 WeakPolarHBondContact CH2-OH 3.39Å; W14-Y78 HydrophobicContact CZ2-CE1 4.49Å; W14-Y78 HydrophobicContact CZ2-CE2 4.38Å; W14-Y78 HydrophobicContact CZ3-CE1 4.39Å; L17-Y78 HydrophobicContact CD1-CD1 3.98Å; I74-Y78 HydrophobicContact CG2-CD2 3.51Å; I74-Y78 HydrophobicContact CG2-CE2 3.35Å; I74-Y78 WeakPolarHBondContact O-CD2 3.48Å; I74-Y78 PolarHBondContact O-N 3.44Å; E75-Y78 PolarHBondContact O-N 2.85Å; Y78-F80 VanDerWaalsContact C-N 3.28Å; Y78-F80 PolarHBondContact O-N 3.4Å; Y78-I81 PolarHBondContact O-N 3.36Å; Y78-V82 WeakPolarHBondContact O-CG2 3.24Å; Y78-V82 PolarHBondContact O-N 3.2Å
79	Q	61.9	Low	60.3	Low	5 Å²	5	49.6 Å²	49.6	2%	0.023	26%	0.256	C	S	.	.	H	α-helix	trans	-61.1	-39.9	179.3	-150.6	105.5	55.6	0	0	111.6	E16 N50 I51 L54 E75 T76 V82 T83	E16-Q79 PolarHBondContact OE2-NE2 3.35Å; N50-Q79 HydrophobicContact CB-CG 3.99Å; N50-Q79 PolarHBondContact ND2-NE2 2.85Å; I51-Q79 HydrophobicContact CB-CG 4.48Å; I51-Q79 HydrophobicContact CG1-CB 3.86Å; I51-Q79 HydrophobicContact CG1-CG 3.49Å; I51-Q79 VanDerWaalsContact CG1-CG 3.49Å; L54-Q79 HydrophobicContact CD1-CB 4.31Å; E75-Q79 WeakPolarHBondContact O-CB 3.44Å; E75-Q79 PolarHBondContact O-N 3.46Å; T76-Q79 PolarHBondContact O-N 3.45Å; Q79-V82 PolarHBondContact O-N 2.95Å; Q79-T83 PolarHBondContact O-N 2.82Å; Q79-T83 PolarHBondContact O-OG1 2.9Å
80	F	63	Low	60.6	Low	54 Å²	54	47.8 Å²	47.8	24%	0.237	24%	0.243	C	C	.	.	H	α-helix	trans	-61.8	-44.2	175.1	-174	-97.6	0	0	0	112.6	T76 I77 Y78 V82 T83 L84 F115 T119	T76-F80 WeakPolarHBondContact O-CB 3.45Å; T76-F80 PolarHBondContact O-N 3.39Å; I77-F80 WeakPolarHBondContact O-CB 3.25Å; I77-F80 PolarHBondContact O-N 3.5Å; Y78-F80 VanDerWaalsContact C-N 3.28Å; Y78-F80 PolarHBondContact O-N 3.4Å; F80-V82 VanDerWaalsContact C-N 3.34Å; F80-T83 PolarHBondContact O-N 2.98Å; F80-L84 WeakPolarHBondContact O-CB 3.29Å; F80-L84 PolarHBondContact O-N 3.19Å; F80-F115 HydrophobicContact CE1-CE2 4.02Å; F80-F115 AromaticContact CE1-CZ 3.95Å; F80-F115 HydrophobicContact CE1-CZ 3.95Å; F80-F115 HydrophobicContact CE2-CD2 4.2Å; F80-F115 AromaticContact CE2-CE2 3.73Å; F80-F115 HydrophobicContact CE2-CE2 3.73Å; F80-F115 HydrophobicContact CE2-CZ 4.23Å; F80-F115 HydrophobicContact CZ-CD2 4.07Å; F80-F115 HydrophobicContact CZ-CE1 4.19Å; F80-F115 AromaticContact CZ-CE2 3.22Å; F80-F115 HydrophobicContact CZ-CE2 3.22Å; F80-F115 AromaticContact CZ-CZ 3.31Å; F80-F115 HydrophobicContact CZ-CZ 3.31Å; F80-T119 HydrophobicContact CE1-CG2 4.36Å; F80-T119 HydrophobicContact CE2-CG2 3.83Å; F80-T119 HydrophobicContact CZ-CG2 3.38Å
81	I	60	Low	60.9	Low	77 Å²	77	45.4 Å²	45.4	40%	0.395	24%	0.243	S	C	.	.	H	α-helix	trans	-62.5	-42.4	175.5	-67.5	166	0	0	0	110.7	I77 Y78 L84 L85	I77-I81 HydrophobicContact CG2-CD1 4.04Å; I77-I81 WeakPolarHBondContact O-CG1 3.4Å; I77-I81 PolarHBondContact O-N 2.88Å; Y78-I81 PolarHBondContact O-N 3.36Å; I81-L84 PolarHBondContact O-N 3.4Å; I81-L85 HydrophobicContact CG2-CD1 3.87Å; I81-L85 WeakPolarHBondContact O-CB 3.26Å; I81-L85 WeakPolarHBondContact O-CG 3.35Å; I81-L85 PolarHBondContact O-N 2.74Å
82	V	60.6	Low	61	Low	5 Å²	5	45 Å²	45	3%	0.03	24%	0.244	C	C	.	.	H	α-helix	trans	-61.3	-45.5	176.6	172.7	0	0	0	0	111.3	L17 Y78 Q79 F80 L84 L85 Y86	L17-V82 HydrophobicContact CB-CG2 3.65Å; L17-V82 HydrophobicContact CD1-CG2 3.6Å; L17-V82 HydrophobicContact CG-CG2 3.94Å; Y78-V82 WeakPolarHBondContact O-CG2 3.24Å; Y78-V82 PolarHBondContact O-N 3.2Å; Q79-V82 PolarHBondContact O-N 2.95Å; F80-V82 VanDerWaalsContact C-N 3.34Å; V82-L84 VanDerWaalsContact C-N 3.34Å; V82-L84 PolarHBondContact O-N 3.32Å; V82-L85 WeakPolarHBondContact O-CB 3.38Å; V82-L85 PolarHBondContact O-N 3.23Å; V82-Y86 HydrophobicContact CG1-CD2 3.55Å; V82-Y86 HydrophobicContact CG1-CE2 3.35Å; V82-Y86 WeakPolarHBondContact O-CD2 3.34Å; V82-Y86 PolarHBondContact O-N 3.43Å
83	T	63.7	Low	61.1	Low	13 Å²	13	43.4 Å²	43.4	8%	0.08	24%	0.238	C	C	.	.	H	α-helix	trans	-63.6	-40.1	176.9	-61.7	0	0	0	0	111.8	S47 I48 I51 Q79 F80 Y86 C87	S47-T83 WeakPolarHBondContact CB-OG1 3.41Å; S47-T83 PolarHBondContact OG-OG1 3.28Å; I48-T83 HydrophobicContact CG1-CG2 4.02Å; I51-T83 HydrophobicContact CD1-CG2 4.19Å; I51-T83 WeakPolarHBondContact CD1-OG1 3.41Å; Q79-T83 PolarHBondContact O-N 2.82Å; Q79-T83 PolarHBondContact O-OG1 2.9Å; F80-T83 PolarHBondContact O-N 2.98Å; T83-Y86 PolarHBondContact O-N 3.36Å; T83-C87 PolarHBondContact O-N 3.45Å; T83-C87 PolarHBondContact O-SG 2.96Å
84	L	62.3	Low	61	Low	72 Å²	72	43.2 Å²	43.2	38%	0.377	24%	0.235	S	C	.	.	H	α-helix	trans	-62.5	-44	175	-173.3	148.6	0	0	0	111.4	F80 I81 V82 C87 I88 F115	F80-L84 WeakPolarHBondContact O-CB 3.29Å; F80-L84 PolarHBondContact O-N 3.19Å; I81-L84 PolarHBondContact O-N 3.4Å; V82-L84 VanDerWaalsContact C-N 3.34Å; V82-L84 PolarHBondContact O-N 3.32Å; L84-C87 WeakPolarHBondContact O-CB 3.3Å; L84-C87 PolarHBondContact O-N 3.32Å; L84-I88 HydrophobicContact CD2-CD1 3.58Å; L84-I88 HydrophobicContact CD2-CG1 4.39Å; L84-I88 WeakPolarHBondContact O-CG1 3.36Å; L84-I88 PolarHBondContact O-N 2.9Å; L84-F115 HydrophobicContact CD1-CE2 4.28Å; L84-F115 HydrophobicContact CD1-CZ 4.19Å
85	L	62.1	Low	60.6	Low	44 Å²	44	46.8 Å²	46.8	23%	0.23	26%	0.255	C	S	.	.	H	α-helix	trans	-57.1	-49.6	173.7	-86.9	164.4	0	0	0	111.2	I21 I24 I81 V82 C87 I88 A89	I21-L85 HydrophobicContact CG1-CD1 4.29Å; I24-L85 HydrophobicContact CD1-CB 3.36Å; I24-L85 HydrophobicContact CD1-CD2 3.42Å; I24-L85 VanDerWaalsContact CD1-CD2 3.42Å; I24-L85 HydrophobicContact CD1-CG 3.95Å; I24-L85 WeakPolarHBondContact CD1-O 3.44Å; I24-L85 WeakPolarHBondContact CG1-O 3.49Å; I81-L85 HydrophobicContact CG2-CD1 3.87Å; I81-L85 WeakPolarHBondContact O-CB 3.26Å; I81-L85 WeakPolarHBondContact O-CG 3.35Å; I81-L85 PolarHBondContact O-N 2.74Å; V82-L85 WeakPolarHBondContact O-CB 3.38Å; V82-L85 PolarHBondContact O-N 3.23Å; L85-C87 VanDerWaalsContact C-N 3.34Å; L85-C87 PolarHBondContact O-N 3Å; L85-I88 PolarHBondContact O-N 2.97Å; L85-A89 PolarHBondContact O-N 3.48Å
86	Y	62.1	Low	60.2	Low	2 Å²	2	52.6 Å²	52.6	1%	0.008	28%	0.282	C	S	.	.	H	α-helix	trans	-61.4	-39.5	176.2	-83.8	-62.3	0	0	0	112.8	E16 G20 I40 T44 V82 T83 I88 A89 I90	E16-Y86 PolarHBondContact O-OH 2.79Å; G20-Y86 VanDerWaalsContact CA-CZ 3.49Å; G20-Y86 WeakPolarHBondContact CA-OH 3.47Å; G20-Y86 PolarHBondContact N-OH 3.45Å; I40-Y86 HydrophobicContact CG2-CD1 4.39Å; T44-Y86 WeakPolarHBondContact OG1-CB 3.34Å; V82-Y86 HydrophobicContact CG1-CD2 3.55Å; V82-Y86 HydrophobicContact CG1-CE2 3.35Å; V82-Y86 WeakPolarHBondContact O-CD2 3.34Å; V82-Y86 PolarHBondContact O-N 3.43Å; T83-Y86 PolarHBondContact O-N 3.36Å; Y86-I88 VanDerWaalsContact C-N 3.32Å; Y86-I88 PolarHBondContact O-N 3.26Å; Y86-A89 WeakPolarHBondContact O-CB 3.49Å; Y86-A89 PolarHBondContact O-N 3.21Å; Y86-I90 WeakPolarHBondContact O-CB 3.28Å; Y86-I90 WeakPolarHBondContact O-CG1 3.22Å; Y86-I90 PolarHBondContact O-N 2.91Å
87	C	61.8	Low	59.8	Low	45 Å²	45	51.6 Å²	51.6	30%	0.304	28%	0.276	S	S	.	.	H	α-helix	trans	-62.6	-37.7	175.6	-68.8	0	0	0	0	112.3	T83 L84 L85 I90 G91	T83-C87 PolarHBondContact O-N 3.45Å; T83-C87 PolarHBondContact O-SG 2.96Å; L84-C87 WeakPolarHBondContact O-CB 3.3Å; L84-C87 PolarHBondContact O-N 3.32Å; L85-C87 VanDerWaalsContact C-N 3.34Å; L85-C87 PolarHBondContact O-N 3Å; C87-I90 WeakPolarHBondContact O-CB 3.44Å; C87-G91 PolarHBondContact O-N 3.43Å
88	I	61.3	Low	59.4	Low	86 Å²	86	53.7 Å²	53.7	44%	0.441	29%	0.288	S	S	.	.	H	α-helix	trans	-67	-43.3	173	-65.2	169.6	0	0	0	110.3	L84 L85 Y86 I90 G91 V92	L84-I88 HydrophobicContact CD2-CD1 3.58Å; L84-I88 HydrophobicContact CD2-CG1 4.39Å; L84-I88 WeakPolarHBondContact O-CG1 3.36Å; L84-I88 PolarHBondContact O-N 2.9Å; L85-I88 PolarHBondContact O-N 2.97Å; Y86-I88 VanDerWaalsContact C-N 3.32Å; Y86-I88 PolarHBondContact O-N 3.26Å; I88-I90 VanDerWaalsContact C-N 3.31Å; I88-I90 PolarHBondContact O-N 3.48Å; I88-G91 PolarHBondContact O-N 3.37Å; I88-G91 VanDerWaalsContact O-N 3.1Å; I88-V92 HydrophobicContact CG2-CG2 4.31Å; I88-V92 VanDerWaalsContact O-CG2 3.32Å; I88-V92 WeakPolarHBondContact O-CG2 3.35Å; I88-V92 PolarHBondContact O-N 3.29Å
89	A	60.2	Low	58.9	Low	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-56	-47.3	177.3	0	0	0	0	0	111.8	I24 I40 L85 Y86 V92 T93	I24-A89 HydrophobicContact CB-CB 4.38Å; I24-A89 HydrophobicContact CD1-CB 4.35Å; I24-A89 HydrophobicContact CG1-CB 3.34Å; I40-A89 HydrophobicContact CD1-CB 4.18Å; I40-A89 HydrophobicContact CG1-CB 4.35Å; I40-A89 HydrophobicContact CG2-CB 3.93Å; L85-A89 PolarHBondContact O-N 3.48Å; Y86-A89 WeakPolarHBondContact O-CB 3.49Å; Y86-A89 PolarHBondContact O-N 3.21Å; A89-V92 PolarHBondContact O-N 3.47Å; A89-T93 PolarHBondContact O-N 3.35Å; A89-T93 VanDerWaalsContact O-N 3.09Å; A89-T93 PolarHBondContact O-OG1 3.47Å
90	I	60.5	Low	58.3	Low	11 Å²	11	59 Å²	59	6%	0.056	31%	0.311	C	S	.	.	H	α-helix	trans	-54.3	-58.1	171.5	-75.2	176.1	0	0	0	108.7	I40 T44 Y86 C87 I88 V92 T93 F94 I104	I40-I90 HydrophobicContact CG2-CD1 4.41Å; I40-I90 HydrophobicContact CG2-CG1 3.54Å; T44-I90 HydrophobicContact CG2-CD1 3.84Å; T44-I90 VanDerWaalsContact OG1-CD1 3.26Å; T44-I90 WeakPolarHBondContact OG1-CD1 3.43Å; Y86-I90 WeakPolarHBondContact O-CB 3.28Å; Y86-I90 WeakPolarHBondContact O-CG1 3.22Å; Y86-I90 PolarHBondContact O-N 2.91Å; C87-I90 WeakPolarHBondContact O-CB 3.44Å; I88-I90 VanDerWaalsContact C-N 3.31Å; I88-I90 PolarHBondContact O-N 3.48Å; I90-V92 PolarHBondContact O-N 3.01Å; I90-T93 PolarHBondContact O-N 3.29Å; I90-T93 PolarHBondContact O-OG1 2.94Å; I90-T93 VanDerWaalsContact O-OG1 3.06Å; I90-F94 VanDerWaalsContact C-CD2 3.48Å; I90-F94 HydrophobicContact CB-CD2 4.09Å; I90-F94 HydrophobicContact CB-CE2 3.83Å; I90-F94 HydrophobicContact CG1-CE2 4.03Å; I90-F94 HydrophobicContact CG2-CD2 3.44Å; I90-F94 VanDerWaalsContact CG2-CD2 3.44Å; I90-F94 HydrophobicContact CG2-CE2 3.4Å; I90-F94 VanDerWaalsContact CG2-CE2 3.4Å; I90-F94 WeakPolarHBondContact O-CD2 3.17Å; I90-F94 PolarHBondContact O-N 2.81Å; I90-F94 VanDerWaalsContact O-N 3.16Å; I90-I104 HydrophobicContact CD1-CD1 4.39Å; I90-I104 HydrophobicContact CG2-CD1 4.37Å; I90-I104 HydrophobicContact CG2-CG1 3.96Å
91	G	58.7	Low	57.7	Low	53 Å²	53	62.4 Å²	62.4	55%	0.546	33%	0.328	S	S	.	.	H	α-helix	trans	-53.9	-32.6	-178.4	0	0	0	0	0	114.5	C87 I88	C87-G91 PolarHBondContact O-N 3.43Å; I88-G91 PolarHBondContact O-N 3.37Å; I88-G91 VanDerWaalsContact O-N 3.1Å
92	V	60	Low	57	Low	74 Å²	74	68 Å²	68	45%	0.448	35%	0.345	S	S	.	.	H	α-helix	trans	-79.1	-35.5	178.9	176.9	0	0	0	0	112.7	I88 A89 I90	I88-V92 HydrophobicContact CG2-CG2 4.31Å; I88-V92 VanDerWaalsContact O-CG2 3.32Å; I88-V92 WeakPolarHBondContact O-CG2 3.35Å; I88-V92 PolarHBondContact O-N 3.29Å; A89-V92 PolarHBondContact O-N 3.47Å; I90-V92 PolarHBondContact O-N 3.01Å
93	T	59.3	Low	56.5	Low	6 Å²	6	75 Å²	75	4%	0.037	38%	0.376	C	S	.	.	H	α-helix	trans	-79.1	-25.7	-179.2	50	0	0	0	0	114	A27 Q37 I40 A89 I90 N95	A27-T93 HydrophobicContact CB-CG2 3.56Å; Q37-T93 HydrophobicContact CG-CG2 4.48Å; I40-T93 HydrophobicContact CD1-CG2 3.99Å; A89-T93 PolarHBondContact O-N 3.35Å; A89-T93 VanDerWaalsContact O-N 3.09Å; A89-T93 PolarHBondContact O-OG1 3.47Å; I90-T93 PolarHBondContact O-N 3.29Å; I90-T93 PolarHBondContact O-OG1 2.94Å; I90-T93 VanDerWaalsContact O-OG1 3.06Å; T93-N95 VanDerWaalsContact C-N 3.31Å; T93-N95 PolarHBondContact O-N 2.89Å
94	F	56.4	Low	55.9	Low	45 Å²	45	75.3 Å²	75.3	20%	0.197	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-81.6	3.1	-171.9	-73.6	-64.6	0	0	0	116.3	I90 Q96 L100 I104	I90-F94 VanDerWaalsContact C-CD2 3.48Å; I90-F94 HydrophobicContact CB-CD2 4.09Å; I90-F94 HydrophobicContact CB-CE2 3.83Å; I90-F94 HydrophobicContact CG1-CE2 4.03Å; I90-F94 HydrophobicContact CG2-CD2 3.44Å; I90-F94 VanDerWaalsContact CG2-CD2 3.44Å; I90-F94 HydrophobicContact CG2-CE2 3.4Å; I90-F94 VanDerWaalsContact CG2-CE2 3.4Å; I90-F94 WeakPolarHBondContact O-CD2 3.17Å; I90-F94 PolarHBondContact O-N 2.81Å; I90-F94 VanDerWaalsContact O-N 3.16Å; F94-Q96 PolarHBondContact O-N 2.96Å; F94-Q96 VanDerWaalsContact O-N 3.13Å; F94-L100 HydrophobicContact CD1-CB 4.5Å; F94-L100 HydrophobicContact CE1-CB 3.93Å; F94-L100 HydrophobicContact CE1-CD2 3.57Å; F94-L100 HydrophobicContact CE1-CG 3.66Å; F94-L100 HydrophobicContact CZ-CD2 4.02Å; F94-L100 HydrophobicContact CZ-CG 4.32Å; F94-I104 HydrophobicContact CD1-CG2 3.88Å; F94-I104 HydrophobicContact CD2-CG1 4.05Å; F94-I104 HydrophobicContact CD2-CG2 4.16Å; F94-I104 HydrophobicContact CE1-CB 4.29Å; F94-I104 HydrophobicContact CE1-CG1 4.36Å; F94-I104 HydrophobicContact CE1-CG2 3.98Å; F94-I104 HydrophobicContact CE2-CB 4.43Å; F94-I104 HydrophobicContact CE2-CD1 4.19Å; F94-I104 HydrophobicContact CE2-CG1 3.66Å; F94-I104 HydrophobicContact CE2-CG2 4.38Å; F94-I104 HydrophobicContact CG-CG2 4.01Å; F94-I104 HydrophobicContact CZ-CB 4.21Å; F94-I104 HydrophobicContact CZ-CD1 4.17Å; F94-I104 HydrophobicContact CZ-CG1 3.81Å; F94-I104 HydrophobicContact CZ-CG2 4.27Å
95	N	52.7	Low	55.1	Low	154 Å²	154	73 Å²	73	82%	0.824	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-75.5	5.9	176.5	-130.7	6.5	0	0	0	114	T93	T93-N95 VanDerWaalsContact C-N 3.31Å; T93-N95 PolarHBondContact O-N 2.89Å
96	Q	52.9	Low	54.4	Low	145 Å²	145	74.6 Å²	74.6	68%	0.678	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-137.4	3.3	-171	-63.8	-169.2	-23.2	0	0	116	N32 F94	N32-Q96 PolarHBondContact ND2-OE1 3.36Å; F94-Q96 PolarHBondContact O-N 2.96Å; F94-Q96 VanDerWaalsContact O-N 3.13Å
97	I	53.4	Low	53.9	Low	13 Å²	13	76.8 Å²	76.8	7%	0.067	40%	0.395	C	S	.	.			trans	-136.6	102.5	-170	-62.6	176.8	0	0	0	113.2	Y99 L100	I97-Y99 HydrophobicContact CG2-CD1 4.22Å; I97-Y99 HydrophobicContact CG2-CD2 3.53Å; I97-Y99 HydrophobicContact CG2-CE1 3.94Å; I97-Y99 HydrophobicContact CG2-CE2 3.2Å; I97-Y99 HydrophobicContact CG2-CG 4.04Å; I97-Y99 VanDerWaalsContact CG2-CZ 3.43Å; I97-Y99 PolarHBondContact O-N 3.29Å; I97-L100 HydrophobicContact CG2-CB 3.93Å
98	D	54	Low	53.4	Low	131 Å²	131	77.7 Å²	77.7	70%	0.701	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-30.6	-173.2	-63.2	-43.8	0	0	0	114.6
99	Y	50.3	Low	52.8	Low	160 Å²	160	79 Å²	79	63%	0.627	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-25.5	-173.9	35	-88.9	0	0	0	113.6	I97	I97-Y99 HydrophobicContact CG2-CD1 4.22Å; I97-Y99 HydrophobicContact CG2-CD2 3.53Å; I97-Y99 HydrophobicContact CG2-CE1 3.94Å; I97-Y99 HydrophobicContact CG2-CE2 3.2Å; I97-Y99 HydrophobicContact CG2-CG 4.04Å; I97-Y99 VanDerWaalsContact CG2-CZ 3.43Å; I97-Y99 PolarHBondContact O-N 3.29Å
100	L	49.5	Very low	52.2	Low	49 Å²	49	85.2 Å²	85.2	26%	0.257	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-16.5	-178.9	-157.4	52.4	0	0	0	112.1	F94 I97 Y102 F103 I104	F94-L100 HydrophobicContact CD1-CB 4.5Å; F94-L100 HydrophobicContact CE1-CB 3.93Å; F94-L100 HydrophobicContact CE1-CD2 3.57Å; F94-L100 HydrophobicContact CE1-CG 3.66Å; F94-L100 HydrophobicContact CZ-CD2 4.02Å; F94-L100 HydrophobicContact CZ-CG 4.32Å; I97-L100 HydrophobicContact CG2-CB 3.93Å; L100-Y102 PolarHBondContact O-N 3.49Å; L100-F103 PolarHBondContact O-N 2.95Å; L100-I104 WeakPolarHBondContact O-CB 3.38Å; L100-I104 VanDerWaalsContact O-CG2 3.3Å; L100-I104 WeakPolarHBondContact O-CG2 3.42Å; L100-I104 PolarHBondContact O-N 2.93Å
101	Q	49.6	Very low	51.7	Low	126 Å²	126	85.5 Å²	85.5	59%	0.589	44%	0.435	S	S	*	.	H	α-helix	trans	-52.2	-36.5	172.1	-170.6	177	-4.7	0	0	112.7	F103 G105	Q101-F103 PolarHBondContact O-N 3.36Å; Q101-G105 PolarHBondContact O-N 3.39Å
102	Y	45.9	Very low	51.3	Low	193 Å²	193	86.5 Å²	86.5	76%	0.757	43%	0.434	S	S	*	.	H	α-helix	trans	-68.1	-32.4	-178.2	-105.9	-84.4	0	0	0	114.4	L100 P106	L100-Y102 PolarHBondContact O-N 3.49Å; Y102-P106 VanDerWaalsContact O-CD 3.26Å; Y102-P106 WeakPolarHBondContact O-CD 3.41Å
103	F	50.2	Low	50.4	Low	152 Å²	152	86.5 Å²	86.5	67%	0.667	44%	0.441	S	S	*	.	H	α-helix	trans	-94.3	-36.3	179.8	-75	-83.5	0	0	0	111.9	L100 Q101 P106 I107	L100-F103 PolarHBondContact O-N 2.95Å; Q101-F103 PolarHBondContact O-N 3.36Å; F103-P106 WeakPolarHBondContact O-CD 3.13Å; F103-I107 VanDerWaalsContact O-CD1 3.32Å; F103-I107 WeakPolarHBondContact O-CD1 3.34Å; F103-I107 WeakPolarHBondContact O-CG1 3.47Å
104	I	50	Low	49.7	Very low	21 Å²	21	88.7 Å²	88.7	11%	0.108	45%	0.453	C	S	.	.	H	α-helix	trans	-80.7	-31.6	-175.9	-155	70.4	0	0	0	112.6	I90 F94 L100 I107 T108	I90-I104 HydrophobicContact CD1-CD1 4.39Å; I90-I104 HydrophobicContact CG2-CD1 4.37Å; I90-I104 HydrophobicContact CG2-CG1 3.96Å; F94-I104 HydrophobicContact CD1-CG2 3.88Å; F94-I104 HydrophobicContact CD2-CG1 4.05Å; F94-I104 HydrophobicContact CD2-CG2 4.16Å; F94-I104 HydrophobicContact CE1-CB 4.29Å; F94-I104 HydrophobicContact CE1-CG1 4.36Å; F94-I104 HydrophobicContact CE1-CG2 3.98Å; F94-I104 HydrophobicContact CE2-CB 4.43Å; F94-I104 HydrophobicContact CE2-CD1 4.19Å; F94-I104 HydrophobicContact CE2-CG1 3.66Å; F94-I104 HydrophobicContact CE2-CG2 4.38Å; F94-I104 HydrophobicContact CG-CG2 4.01Å; F94-I104 HydrophobicContact CZ-CB 4.21Å; F94-I104 HydrophobicContact CZ-CD1 4.17Å; F94-I104 HydrophobicContact CZ-CG1 3.81Å; F94-I104 HydrophobicContact CZ-CG2 4.27Å; L100-I104 WeakPolarHBondContact O-CB 3.38Å; L100-I104 VanDerWaalsContact O-CG2 3.3Å; L100-I104 WeakPolarHBondContact O-CG2 3.42Å; L100-I104 PolarHBondContact O-N 2.93Å; I104-I107 HydrophobicContact CD1-CB 4.34Å; I104-I107 HydrophobicContact CD1-CD1 4.24Å; I104-I107 HydrophobicContact CD1-CG2 4.44Å; I104-I107 CarbonylContact O-C 3.44Å; I104-I107 PolarHBondContact O-N 2.93Å; I104-T108 WeakPolarHBondContact O-CB 3.44Å; I104-T108 PolarHBondContact O-N 3.46Å; I104-T108 PolarHBondContact O-OG1 3.41Å; I104-T108 VanDerWaalsContact O-OG1 3.08Å
105	G	45.9	Very low	49.4	Very low	23 Å²	23	90.6 Å²	90.6	24%	0.237	46%	0.461	C	S	.	.	H	α-helix	trans	-51.9	-53.7	175.4	0	0	0	0	0	112	Q101 I107 T108 I109	Q101-G105 PolarHBondContact O-N 3.39Å; G105-I107 VanDerWaalsContact C-N 3.32Å; G105-I107 PolarHBondContact O-N 2.92Å; G105-T108 PolarHBondContact O-N 3.34Å; G105-I109 VanDerWaalsContact O-CB 3.32Å; G105-I109 WeakPolarHBondContact O-CB 3.38Å; G105-I109 WeakPolarHBondContact O-CD1 3.37Å; G105-I109 WeakPolarHBondContact O-CG1 3.34Å; G105-I109 PolarHBondContact O-N 3.41Å
106	P	47.2	Very low	48.9	Very low	77 Å²	77	85.2 Å²	85.2	50%	0.5	44%	0.442	S	S	.	.	H	α-helix	trans	-58.3	-37.7	173.7	-26.5	34.5	0	0	0	114.2	Y102 F103 F110	Y102-P106 VanDerWaalsContact O-CD 3.26Å; Y102-P106 WeakPolarHBondContact O-CD 3.41Å; F103-P106 WeakPolarHBondContact O-CD 3.13Å; P106-F110 WeakPolarHBondContact O-CB 3.35Å; P106-F110 PolarHBondContact O-N 2.77Å
107	I	52	Low	48.5	Very low	48 Å²	48	81.1 Å²	81.1	25%	0.246	43%	0.433	C	S	.	.	H	α-helix	trans	-71.7	-42.1	-179.5	-65.2	163.9	0	0	0	111.2	F45 F103 I104 G105 F110 T111	F45-I107 HydrophobicContact CE2-CD1 4.36Å; F45-I107 HydrophobicContact CZ-CD1 3.77Å; F103-I107 VanDerWaalsContact O-CD1 3.32Å; F103-I107 WeakPolarHBondContact O-CD1 3.34Å; F103-I107 WeakPolarHBondContact O-CG1 3.47Å; I104-I107 HydrophobicContact CD1-CB 4.34Å; I104-I107 HydrophobicContact CD1-CD1 4.24Å; I104-I107 HydrophobicContact CD1-CG2 4.44Å; I104-I107 CarbonylContact O-C 3.44Å; I104-I107 PolarHBondContact O-N 2.93Å; G105-I107 VanDerWaalsContact C-N 3.32Å; G105-I107 PolarHBondContact O-N 2.92Å; I107-F110 PolarHBondContact O-N 2.92Å; I107-T111 VanDerWaalsContact O-CB 3.31Å; I107-T111 WeakPolarHBondContact O-CB 3.2Å; I107-T111 PolarHBondContact O-N 2.87Å; I107-T111 PolarHBondContact O-OG1 3.47Å
108	T	51.8	Low	48.2	Very low	65 Å²	65	83.4 Å²	83.4	40%	0.399	44%	0.442	S	S	.	.	H	α-helix	trans	-66.7	-42.3	175.4	-56.7	0	0	0	0	110.4	I104 G105 T111 S112	I104-T108 WeakPolarHBondContact O-CB 3.44Å; I104-T108 PolarHBondContact O-N 3.46Å; I104-T108 PolarHBondContact O-OG1 3.41Å; I104-T108 VanDerWaalsContact O-OG1 3.08Å; G105-T108 PolarHBondContact O-N 3.34Å; T108-T111 PolarHBondContact O-N 3.2Å; T108-S112 WeakPolarHBondContact O-CB 3.02Å; T108-S112 PolarHBondContact O-N 2.74Å; T108-S112 PolarHBondContact O-OG 2.83Å
109	I	49.1	Very low	47.9	Very low	114 Å²	114	79.1 Å²	79.1	59%	0.585	42%	0.421	S	S	*	.	H	α-helix	trans	-63.7	-44.7	174.1	-67.6	164.7	0	0	0	110.2	G105 S112 A113	G105-I109 VanDerWaalsContact O-CB 3.32Å; G105-I109 WeakPolarHBondContact O-CB 3.38Å; G105-I109 WeakPolarHBondContact O-CD1 3.37Å; G105-I109 WeakPolarHBondContact O-CG1 3.34Å; G105-I109 PolarHBondContact O-N 3.41Å; I109-S112 WeakPolarHBondContact CA-OG 3.44Å; I109-S112 PolarHBondContact O-N 3.45Å; I109-S112 PolarHBondContact O-OG 2.89Å; I109-S112 VanDerWaalsContact O-OG 3.09Å; I109-A113 WeakPolarHBondContact O-CB 3.37Å; I109-A113 PolarHBondContact O-N 3.01Å
110	F	47	Very low	47.6	Very low	130 Å²	130	78.3 Å²	78.3	57%	0.57	42%	0.421	S	S	*	.	H	α-helix	trans	-62.4	-47.7	177.9	-177.2	-92.7	0	0	0	111.3	P106 I107 N114	P106-F110 WeakPolarHBondContact O-CB 3.35Å; P106-F110 PolarHBondContact O-N 2.77Å; I107-F110 PolarHBondContact O-N 2.92Å; F110-N114 WeakPolarHBondContact CD2-ND2 3.43Å; F110-N114 WeakPolarHBondContact CE2-ND2 3.28Å; F110-N114 VanDerWaalsContact O-CB 3.3Å; F110-N114 WeakPolarHBondContact O-CB 3.34Å; F110-N114 PolarHBondContact O-N 2.81Å; F110-N114 PolarHBondContact O-ND2 3.03Å
111	T	50.7	Low	47.5	Very low	17 Å²	17	77 Å²	77	10%	0.104	42%	0.419	C	S	.	.	H	α-helix	trans	-66.6	-41	-179.6	-54.3	0	0	0	0	111.5	I107 T108 F115	I107-T111 VanDerWaalsContact O-CB 3.31Å; I107-T111 WeakPolarHBondContact O-CB 3.2Å; I107-T111 PolarHBondContact O-N 2.87Å; I107-T111 PolarHBondContact O-OG1 3.47Å; T108-T111 PolarHBondContact O-N 3.2Å; T111-F115 WeakPolarHBondContact O-CA 3.44Å; T111-F115 WeakPolarHBondContact O-CB 3.5Å; T111-F115 PolarHBondContact O-N 2.97Å
112	S	49.1	Very low	47.5	Very low	74 Å²	74	73 Å²	73	52%	0.517	41%	0.405	S	S	.	.	H	α-helix	trans	-71	-40.7	176.9	58.4	0	0	0	0	112.9	T108 I109 N114 F115	T108-S112 WeakPolarHBondContact O-CB 3.02Å; T108-S112 PolarHBondContact O-N 2.74Å; T108-S112 PolarHBondContact O-OG 2.83Å; I109-S112 WeakPolarHBondContact CA-OG 3.44Å; I109-S112 PolarHBondContact O-N 3.45Å; I109-S112 PolarHBondContact O-OG 2.89Å; I109-S112 VanDerWaalsContact O-OG 3.09Å; S112-N114 VanDerWaalsContact C-N 3.3Å; S112-N114 PolarHBondContact O-N 3.46Å; S112-F115 VanDerWaalsContact O-CB 3.24Å; S112-F115 WeakPolarHBondContact O-CB 3.34Å; S112-F115 PolarHBondContact O-N 3.23Å
113	A	41.8	Very low	47.6	Very low	73 Å²	73	69.9 Å²	69.9	60%	0.603	40%	0.399	S	S	*	.	H	α-helix	trans	-64.1	-37.5	175.7	0	0	0	0	0	111.7	I109	I109-A113 WeakPolarHBondContact O-CB 3.37Å; I109-A113 PolarHBondContact O-N 3.01Å
114	N	45.1	Very low	47.6	Very low	52 Å²	52	64.9 Å²	64.9	28%	0.278	38%	0.381	S	S	.	.	H	α-helix	trans	-88.8	-6.5	177.5	-67.8	-75.1	0	0	0	113.3	F110 S112 G116 A117 F118	F110-N114 WeakPolarHBondContact CD2-ND2 3.43Å; F110-N114 WeakPolarHBondContact CE2-ND2 3.28Å; F110-N114 VanDerWaalsContact O-CB 3.3Å; F110-N114 WeakPolarHBondContact O-CB 3.34Å; F110-N114 PolarHBondContact O-N 2.81Å; F110-N114 PolarHBondContact O-ND2 3.03Å; S112-N114 VanDerWaalsContact C-N 3.3Å; S112-N114 PolarHBondContact O-N 3.46Å; N114-G116 PolarHBondContact O-N 3.5Å; N114-A117 CarbonylContact O-C 3.59Å; N114-A117 WeakPolarHBondContact O-CA 3.43Å; N114-A117 WeakPolarHBondContact O-CB 3.07Å; N114-A117 PolarHBondContact O-N 3.41Å; N114-F118 VanDerWaalsContact C-CD2 3.48Å; N114-F118 HydrophobicContact CB-CD2 4.04Å; N114-F118 HydrophobicContact CB-CE2 3.51Å; N114-F118 HydrophobicContact CB-CZ 4.14Å; N114-F118 WeakPolarHBondContact O-CD2 3.3Å; N114-F118 WeakPolarHBondContact O-CG 3.35Å; N114-F118 PolarHBondContact O-N 3.11Å
115	F	49.5	Very low	47.5	Very low	86 Å²	86	65.9 Å²	65.9	38%	0.377	39%	0.393	S	S	.	.	H	α-helix	trans	-55.1	-39.7	176.1	-173.4	-98.9	0	0	0	111.4	F80 L84 T111 S112 F118 T119	F80-F115 HydrophobicContact CE1-CE2 4.02Å; F80-F115 AromaticContact CE1-CZ 3.95Å; F80-F115 HydrophobicContact CE1-CZ 3.95Å; F80-F115 HydrophobicContact CE2-CD2 4.2Å; F80-F115 AromaticContact CE2-CE2 3.73Å; F80-F115 HydrophobicContact CE2-CE2 3.73Å; F80-F115 HydrophobicContact CE2-CZ 4.23Å; F80-F115 HydrophobicContact CZ-CD2 4.07Å; F80-F115 HydrophobicContact CZ-CE1 4.19Å; F80-F115 AromaticContact CZ-CE2 3.22Å; F80-F115 HydrophobicContact CZ-CE2 3.22Å; F80-F115 AromaticContact CZ-CZ 3.31Å; F80-F115 HydrophobicContact CZ-CZ 3.31Å; L84-F115 HydrophobicContact CD1-CE2 4.28Å; L84-F115 HydrophobicContact CD1-CZ 4.19Å; T111-F115 WeakPolarHBondContact O-CA 3.44Å; T111-F115 WeakPolarHBondContact O-CB 3.5Å; T111-F115 PolarHBondContact O-N 2.97Å; S112-F115 VanDerWaalsContact O-CB 3.24Å; S112-F115 WeakPolarHBondContact O-CB 3.34Å; S112-F115 PolarHBondContact O-N 3.23Å; F115-F118 PolarHBondContact O-N 3.29Å; F115-T119 HydrophobicContact CD1-CG2 4.21Å; F115-T119 HydrophobicContact CE1-CG2 3.89Å; F115-T119 HydrophobicContact CZ-CG2 4.19Å; F115-T119 WeakPolarHBondContact O-CB 3.27Å; F115-T119 WeakPolarHBondContact O-CG2 3.45Å; F115-T119 PolarHBondContact O-N 3.41Å; F115-T119 PolarHBondContact O-OG1 3.04Å
116	G	41.9	Very low	47.6	Very low	41 Å²	41	67.9 Å²	67.9	42%	0.423	40%	0.397	S	S	.	.	H	α-helix	trans	-60.8	-41.6	172	0	0	0	0	0	112.9	N114 T119 F120	N114-G116 PolarHBondContact O-N 3.5Å; G116-T119 VanDerWaalsContact CA-OG1 3.29Å; G116-T119 WeakPolarHBondContact CA-OG1 3.42Å; G116-T119 PolarHBondContact O-OG1 3.33Å; G116-F120 WeakPolarHBondContact O-CB 3.48Å; G116-F120 PolarHBondContact O-N 3.16Å
117	A	44.4	Very low	47.6	Very low	58 Å²	58	67.7 Å²	67.7	48%	0.479	40%	0.395	S	S	.	.	H	α-helix	trans	-70.5	-35.5	177.5	0	0	0	0	0	112.4	N114 G121	N114-A117 CarbonylContact O-C 3.59Å; N114-A117 WeakPolarHBondContact O-CA 3.43Å; N114-A117 WeakPolarHBondContact O-CB 3.07Å; N114-A117 PolarHBondContact O-N 3.41Å; A117-G121 WeakPolarHBondContact O-CA 3.45Å; A117-G121 PolarHBondContact O-N 3.49Å
118	F	47.2	Very low	47.4	Very low	61 Å²	61	71.5 Å²	71.5	27%	0.268	41%	0.412	S	S	.	.	H	α-helix	trans	-70.5	-41.1	175.3	-63.4	-58.1	0	0	0	112.1	N114 F115 S122	N114-F118 VanDerWaalsContact C-CD2 3.48Å; N114-F118 HydrophobicContact CB-CD2 4.04Å; N114-F118 HydrophobicContact CB-CE2 3.51Å; N114-F118 HydrophobicContact CB-CZ 4.14Å; N114-F118 WeakPolarHBondContact O-CD2 3.3Å; N114-F118 WeakPolarHBondContact O-CG 3.35Å; N114-F118 PolarHBondContact O-N 3.11Å; F115-F118 PolarHBondContact O-N 3.29Å; F118-S122 WeakPolarHBondContact O-CB 3.16Å; F118-S122 PolarHBondContact O-N 2.99Å; F118-S122 PolarHBondContact O-OG 3.39Å
119	T	48.7	Very low	47.2	Very low	41 Å²	41	71.6 Å²	71.6	25%	0.252	41%	0.409	S	S	.	.	H	α-helix	trans	-68.6	-42.7	174.2	43.1	0	0	0	0	111.7	F80 F115 G116 S122 M123	F80-T119 HydrophobicContact CE1-CG2 4.36Å; F80-T119 HydrophobicContact CE2-CG2 3.83Å; F80-T119 HydrophobicContact CZ-CG2 3.38Å; F115-T119 HydrophobicContact CD1-CG2 4.21Å; F115-T119 HydrophobicContact CE1-CG2 3.89Å; F115-T119 HydrophobicContact CZ-CG2 4.19Å; F115-T119 WeakPolarHBondContact O-CB 3.27Å; F115-T119 WeakPolarHBondContact O-CG2 3.45Å; F115-T119 PolarHBondContact O-N 3.41Å; F115-T119 PolarHBondContact O-OG1 3.04Å; G116-T119 VanDerWaalsContact CA-OG1 3.29Å; G116-T119 WeakPolarHBondContact CA-OG1 3.42Å; G116-T119 PolarHBondContact O-OG1 3.33Å; T119-S122 WeakPolarHBondContact CA-OG 3.32Å; T119-S122 PolarHBondContact O-N 2.93Å; T119-S122 PolarHBondContact O-OG 3.46Å; T119-M123 WeakPolarHBondContact O-CB 3.28Å; T119-M123 WeakPolarHBondContact O-CG 3.27Å; T119-M123 PolarHBondContact O-N 3.19Å
120	F	44	Very low	47.1	Very low	144 Å²	144	71.9 Å²	71.9	63%	0.632	41%	0.411	S	S	*	.	H	α-helix	trans	-66.3	-44.2	175.5	-168.7	-96.9	0	0	0	111.6	G116 S122 M123 V124	G116-F120 WeakPolarHBondContact O-CB 3.48Å; G116-F120 PolarHBondContact O-N 3.16Å; F120-S122 VanDerWaalsContact C-N 3.34Å; F120-S122 PolarHBondContact O-N 3.38Å; F120-M123 CarbonylContact O-C 3.57Å; F120-M123 PolarHBondContact O-N 2.96Å; F120-V124 HydrophobicContact CD1-CG2 3.81Å; F120-V124 HydrophobicContact CE1-CG2 3.51Å; F120-V124 HydrophobicContact CZ-CG2 3.99Å; F120-V124 VanDerWaalsContact O-CG2 3.3Å; F120-V124 WeakPolarHBondContact O-CG2 3.02Å; F120-V124 PolarHBondContact O-N 3.3Å
121	G	47.6	Very low	46.8	Very low	21 Å²	21	70.5 Å²	70.5	22%	0.216	42%	0.416	C	S	.	.	H	α-helix	trans	-61.6	-40	176.3	0	0	0	0	0	112.8	A117 V124 A125	A117-G121 WeakPolarHBondContact O-CA 3.45Å; A117-G121 PolarHBondContact O-N 3.49Å; G121-V124 PolarHBondContact O-N 3.03Å; G121-A125 WeakPolarHBondContact O-CB 3.3Å; G121-A125 PolarHBondContact O-N 3.39Å
122	S	49.1	Very low	46.5	Very low	42 Å²	42	76 Å²	76	29%	0.294	44%	0.438	S	S	.	.	H	α-helix	trans	-70.3	-35.8	173.9	52.5	0	0	0	0	112.8	F118 T119 F120 L126	F118-S122 WeakPolarHBondContact O-CB 3.16Å; F118-S122 PolarHBondContact O-N 2.99Å; F118-S122 PolarHBondContact O-OG 3.39Å; T119-S122 WeakPolarHBondContact CA-OG 3.32Å; T119-S122 PolarHBondContact O-N 2.93Å; T119-S122 PolarHBondContact O-OG 3.46Å; F120-S122 VanDerWaalsContact C-N 3.34Å; F120-S122 PolarHBondContact O-N 3.38Å; S122-L126 WeakPolarHBondContact O-CB 3.46Å; S122-L126 PolarHBondContact O-N 2.74Å
123	M	46.9	Very low	46.2	Very low	128 Å²	128	79.5 Å²	79.5	63%	0.631	45%	0.446	S	S	*	.	H	α-helix	trans	-66.8	-39.3	170.9	-77.2	-165.8	177.8	0	0	112.7	T119 F120 L126 T127	T119-M123 WeakPolarHBondContact O-CB 3.28Å; T119-M123 WeakPolarHBondContact O-CG 3.27Å; T119-M123 PolarHBondContact O-N 3.19Å; F120-M123 CarbonylContact O-C 3.57Å; F120-M123 PolarHBondContact O-N 2.96Å; M123-L126 VanDerWaalsContact O-CB 3.26Å; M123-L126 WeakPolarHBondContact O-CB 3.18Å; M123-L126 PolarHBondContact O-N 2.83Å; M123-T127 PolarHBondContact O-N 2.62Å; M123-T127 PolarHBondContact O-OG1 2.62Å
124	V	50.3	Low	46	Very low	47 Å²	47	81.8 Å²	81.8	29%	0.285	46%	0.455	S	S	.	.	H	α-helix	trans	-64.2	-45.2	175.3	170.7	0	0	0	0	110.1	F120 G121 L126 T127 E128	F120-V124 HydrophobicContact CD1-CG2 3.81Å; F120-V124 HydrophobicContact CE1-CG2 3.51Å; F120-V124 HydrophobicContact CZ-CG2 3.99Å; F120-V124 VanDerWaalsContact O-CG2 3.3Å; F120-V124 WeakPolarHBondContact O-CG2 3.02Å; F120-V124 PolarHBondContact O-N 3.3Å; G121-V124 PolarHBondContact O-N 3.03Å; V124-L126 VanDerWaalsContact C-N 3.28Å; V124-L126 PolarHBondContact O-N 3.18Å; V124-T127 VanDerWaalsContact CA-OG1 3.29Å; V124-T127 WeakPolarHBondContact CA-OG1 3.1Å; V124-T127 PolarHBondContact O-N 3.38Å; V124-T127 VanDerWaalsContact O-N 3.11Å; V124-T127 PolarHBondContact O-OG1 3.1Å; V124-E128 PolarHBondContact O-N 3.42Å
125	A	49	Very low	45.7	Very low	42 Å²	42	84.5 Å²	84.5	35%	0.347	47%	0.469	S	S	.	.	H	α-helix	trans	-60.5	-37.6	173	0	0	0	0	0	112.2	G121 E128 L129	G121-A125 WeakPolarHBondContact O-CB 3.3Å; G121-A125 PolarHBondContact O-N 3.39Å; A125-E128 PolarHBondContact O-N 3.48Å; A125-L129 WeakPolarHBondContact O-CB 3.44Å; A125-L129 PolarHBondContact O-N 3.09Å
126	L	47.1	Very low	45.4	Very low	65 Å²	65	87.5 Å²	87.5	34%	0.34	49%	0.488	S	S	.	.	H	α-helix	trans	-62.1	-43.6	172.9	-160.6	93.9	0	0	0	111.4	L73 S122 M123 V124 L129 I130	L73-L126 HydrophobicContact CD1-CD1 3.89Å; L73-L126 HydrophobicContact CD2-CD1 3.98Å; S122-L126 WeakPolarHBondContact O-CB 3.46Å; S122-L126 PolarHBondContact O-N 2.74Å; M123-L126 VanDerWaalsContact O-CB 3.26Å; M123-L126 WeakPolarHBondContact O-CB 3.18Å; M123-L126 PolarHBondContact O-N 2.83Å; V124-L126 VanDerWaalsContact C-N 3.28Å; V124-L126 PolarHBondContact O-N 3.18Å; L126-L129 PolarHBondContact O-N 3.05Å; L126-I130 HydrophobicContact CD2-CD1 3.91Å; L126-I130 HydrophobicContact CG-CD1 3.79Å; L126-I130 WeakPolarHBondContact O-CB 3.4Å; L126-I130 VanDerWaalsContact O-CG1 3.28Å; L126-I130 WeakPolarHBondContact O-CG1 3.45Å; L126-I130 PolarHBondContact O-N 2.8Å
127	T	47	Very low	45.1	Very low	72 Å²	72	93 Å²	93	44%	0.442	51%	0.507	S	S	.	.	H	α-helix	trans	-68	-37.8	177.6	50.6	0	0	0	0	112.1	M123 V124 L129 I130 C131	M123-T127 PolarHBondContact O-N 2.62Å; M123-T127 PolarHBondContact O-OG1 2.62Å; V124-T127 VanDerWaalsContact CA-OG1 3.29Å; V124-T127 WeakPolarHBondContact CA-OG1 3.1Å; V124-T127 PolarHBondContact O-N 3.38Å; V124-T127 VanDerWaalsContact O-N 3.11Å; V124-T127 PolarHBondContact O-OG1 3.1Å; T127-L129 VanDerWaalsContact C-N 3.3Å; T127-L129 PolarHBondContact O-N 3.4Å; T127-I130 PolarHBondContact O-N 3.35Å; T127-C131 WeakPolarHBondContact O-CA 3.15Å; T127-C131 WeakPolarHBondContact O-CB 3.22Å; T127-C131 PolarHBondContact O-N 3.46Å; T127-C131 PolarHBondContact O-SG 2.98Å
128	E	47.4	Very low	44.8	Very low	129 Å²	129	95.9 Å²	95.9	60%	0.603	52%	0.52	S	S	*	.	H	α-helix	trans	-68.3	-30.8	174.3	-69.5	-164.3	172	0	0	112.5	V124 A125	V124-E128 PolarHBondContact O-N 3.42Å; A125-E128 PolarHBondContact O-N 3.48Å
129	L	47.7	Very low	44.4	Very low	67 Å²	67	98.2 Å²	98.2	35%	0.351	54%	0.539	S	S	.	.	H	α-helix	trans	-72.3	-39.5	175.6	-174.9	62.1	0	0	0	112.9	S69 L73 A125 L126 T127	S69-L129 WeakPolarHBondContact OG-CD1 3.28Å; L73-L129 HydrophobicContact CD2-CD2 4.1Å; A125-L129 WeakPolarHBondContact O-CB 3.44Å; A125-L129 PolarHBondContact O-N 3.09Å; L126-L129 PolarHBondContact O-N 3.05Å; T127-L129 VanDerWaalsContact C-N 3.3Å; T127-L129 PolarHBondContact O-N 3.4Å
130	I	47.4	Very low	43.9	Very low	120 Å²	120	103.2 Å²	103.2	62%	0.615	56%	0.564	S	S	*	*	H	α-helix	trans	-85	-34.8	-177.9	-63.7	169.6	0	0	0	111.4	L126 T127 K132	L126-I130 HydrophobicContact CD2-CD1 3.91Å; L126-I130 HydrophobicContact CG-CD1 3.79Å; L126-I130 WeakPolarHBondContact O-CB 3.4Å; L126-I130 VanDerWaalsContact O-CG1 3.28Å; L126-I130 WeakPolarHBondContact O-CG1 3.45Å; L126-I130 PolarHBondContact O-N 2.8Å; T127-I130 PolarHBondContact O-N 3.35Å; I130-K132 PolarHBondContact O-N 3.19Å
131	C	42.1	Very low	43.5	Very low	100 Å²	100	102 Å²	102	68%	0.676	56%	0.564	S	S	*	*			trans	-82.1	34.3	179.9	-64	0	0	0	0	113.3	T127 H133	T127-C131 WeakPolarHBondContact O-CA 3.15Å; T127-C131 WeakPolarHBondContact O-CB 3.22Å; T127-C131 PolarHBondContact O-N 3.46Å; T127-C131 PolarHBondContact O-SG 2.98Å; C131-H133 PolarHBondContact O-N 3.03Å; C131-H133 VanDerWaalsContact O-N 3.11Å
132	K	44.4	Very low	43	Very low	133 Å²	133	106.7 Å²	106.7	58%	0.578	59%	0.591	S	S	*	*			trans	-59.9	119.1	165.6	-151.1	-175.8	-179.2	-165.4	0	107.8	I130	I130-K132 PolarHBondContact O-N 3.19Å
133	H	42	Very low	42.6	Very low	147 Å²	147	109 Å²	109	68%	0.681	60%	0.604	S	S	*	*			trans	-49.1	129.7	179.1	-147.2	-59.7	0	0	0	109.4	C131 D135	C131-H133 PolarHBondContact O-N 3.03Å; C131-H133 VanDerWaalsContact O-N 3.11Å; H133-D135 IonicContact CE1-OD2 3.01Å; H133-D135 PolarHBondContact CE1-OD2 3.5Å; H133-D135 IonicContact ND1-OD2 2.81Å; H133-D135 PolarHBondContact ND1-OD2 3.14Å; H133-D135 PolarHBondContact O-N 3.4Å
134	P	38.2	Very low	41.9	Very low	121 Å²	121	108.8 Å²	108.8	79%	0.786	61%	0.61	S	S	*	*	S	Bend	trans	-76.8	61.4	177.6	33.9	-35.4	0	0	0	109.5
135	D	38.6	Very low	41.5	Very low	109 Å²	109	113.6 Å²	113.6	58%	0.583	63%	0.633	S	S	*	*			trans	-144.5	90.8	175	-72.2	-56.4	0	0	0	108.6	H133	H133-D135 IonicContact CE1-OD2 3.01Å; H133-D135 PolarHBondContact CE1-OD2 3.5Å; H133-D135 IonicContact ND1-OD2 2.81Å; H133-D135 PolarHBondContact ND1-OD2 3.14Å; H133-D135 PolarHBondContact O-N 3.4Å
136	I	42	Very low	40.9	Very low	149 Å²	149	118 Å²	118	76%	0.764	65%	0.651	S	S	*	*				-177	83.1	128.1	-78.2	145.4	0	0	0	103.8	T138	I136-T138 WeakPolarHBondContact CG2-OG1 3.23Å; I136-T138 PolarHBondContact O-N 2.85Å
137	N	35.9	Very low	40.4	Very low	156 Å²	156	121.6 Å²	121.6	83%	0.834	67%	0.671	S	S	*	*			trans	-64.9	87.7	150.2	-76.4	-19	0	0	0	105.7	T139	N137-T139 PolarHBondContact O-N 3.19Å; N137-T139 PolarHBondContact O-OG1 3.04Å
138	T	39.3	Very low	40	Very low	120 Å²	120	123.9 Å²	123.9	74%	0.736	69%	0.685	S	S	*	*			trans	-63.6	98.6	156.3	-50.1	0	0	0	0	104.6	I136 D140	I136-T138 WeakPolarHBondContact CG2-OG1 3.23Å; I136-T138 PolarHBondContact O-N 2.85Å; T138-D140 PolarHBondContact O-N 3.41Å
139	T	38.9	Very low	39.5	Very low	109 Å²	109	124.5 Å²	124.5	67%	0.669	69%	0.691	S	S	*	*			trans	-59.1	117.8	-177.1	-59.5	0	0	0	0	107.9	N137 N141	N137-T139 PolarHBondContact O-N 3.19Å; N137-T139 PolarHBondContact O-OG1 3.04Å; T139-N141 PolarHBondContact O-N 3.23Å
140	D	36.6	Very low	39.2	Very low	147 Å²	147	128.1 Å²	128.1	79%	0.786	71%	0.711	S	S	*	*			trans	-48.7	119.5	155.1	-77.3	-45.5	0	0	0	108.4	T138	T138-D140 PolarHBondContact O-N 3.41Å
141	N	36	Very low	38.7	Very low	117 Å²	117	127.9 Å²	127.9	63%	0.626	72%	0.715	S	S	*	*			trans	-158.4	102	150.5	-110.3	-4	0	0	0	109.8	T139 T143	T139-N141 PolarHBondContact O-N 3.23Å; N141-T143 HydrophobicContact CB-CG2 4.36Å; N141-T143 PolarHBondContact O-N 3.17Å
142	P	37	Very low	38.5	Very low	121 Å²	121	129.4 Å²	129.4	79%	0.786	72%	0.723	S	S	*	*			trans	-79.1	75.9	148	33.7	-24.4	0	0	0	106.5	T144	P142-T144 VanDerWaalsContact C-N 3.27Å; P142-T144 PolarHBondContact O-N 2.94Å
143	T	40.5	Very low	38.2	Very low	91 Å²	91	128.4 Å²	128.4	56%	0.558	73%	0.728	S	S	*	*			trans	-74.4	89.6	169	26.1	0	0	0	0	109	N141 N145	N141-T143 HydrophobicContact CB-CG2 4.36Å; N141-T143 PolarHBondContact O-N 3.17Å; T143-N145 PolarHBondContact O-N 3.17Å
144	T	33.6	Very low	37.9	Very low	123 Å²	123	128.1 Å²	128.1	76%	0.755	73%	0.732	S	S	*	*			trans	-52.6	105.9	144.3	-54.3	0	0	0	0	107.6	P142	P142-T144 VanDerWaalsContact C-N 3.27Å; P142-T144 PolarHBondContact O-N 2.94Å
145	N	40.7	Very low	38.2	Very low	147 Å²	147	127.5 Å²	127.5	79%	0.786	73%	0.726	S	S	*	*			trans	-128.5	109.7	166.5	-105	-8.6	0	0	0	109.8	T143	T143-N145 PolarHBondContact O-N 3.17Å
146	N	36.8	Very low	38	Very low	134 Å²	134	128.6 Å²	128.6	72%	0.717	73%	0.732	S	S	*	*			trans	-58	147	164.5	-82.9	-28.1	0	0	0	111.1
147	N	36.9	Very low	37.8	Very low	142 Å²	142	128.9 Å²	128.9	76%	0.759	73%	0.734	S	S	*	*			trans	83.1	114.8	144.9	-67	-5.3	0	0	0	120.7
148	T	38.3	Very low	37.7	Very low	119 Å²	119	128 Å²	128	73%	0.73	73%	0.729	S	S	*	*			trans	99.9	96.6	133.1	-40	0	0	0	0	119.6
149	I	37	Very low	37.7	Very low	142 Å²	142	126.7 Å²	126.7	73%	0.728	73%	0.725	S	S	*	*				33.5	118.3	127.9	-45.4	176.3	0	0	0	117.9
150	N	41	Very low	37.6	Very low	144 Å²	144	128.1 Å²	128.1	77%	0.77	73%	0.734	S	S	*	*				-178.4	109.7	119.5	-85.9	-29.1	0	0	0	112.5
151	T	38	Very low	37.7	Very low	115 Å²	115	126.4 Å²	126.4	71%	0.706	73%	0.73	S	S	*	*			trans	63	121.3	139.6	-22.1	0	0	0	0	121.3	V153	T151-V153 HydrophobicContact CG2-CG2 4.23Å
152	P	37.4	Very low	38	Very low	131 Å²	131	127.7 Å²	127.7	85%	0.851	74%	0.736	S	S	*	*			trans	-115.6	131.5	149.2	33.9	-21.4	0	0	0	111.4
153	V	38.2	Very low	38.1	Very low	113 Å²	113	129.7 Å²	129.7	69%	0.685	74%	0.735	S	S	*	*			trans	-117.3	132	170.2	166.3	0	0	0	0	109.1	T151	T151-V153 HydrophobicContact CG2-CG2 4.23Å
154	N	35	Very low	38.2	Very low	140 Å²	140	130.8 Å²	130.8	75%	0.749	74%	0.741	S	S	*	*			trans	71.5	136.8	160.6	-78.6	-10.3	0	0	0	117
155	T	44.1	Very low	38.6	Very low	109 Å²	109	131.1 Å²	131.1	67%	0.669	74%	0.743	S	S	*	*			cis	-168.3	153.9	27.8	-15	0	0	0	0	110.8
156	N	34.6	Very low	38.6	Very low	132 Å²	132	130.6 Å²	130.6	71%	0.706	74%	0.74	S	S	*	*			trans	78.8	104.7	158.4	-66.2	-23.2	0	0	0	118.7
157	L	37.1	Very low	38.9	Very low	155 Å²	155	133.8 Å²	133.8	81%	0.812	75%	0.751	S	S	*	*				59.7	121.5	94.3	-89.5	90	0	0	0	111.8
158	N	34.1	Very low	39.2	Very low	137 Å²	137	133.3 Å²	133.3	73%	0.733	75%	0.753	S	S	*	*			cis	-172.4	153.5	32.5	-160.9	12.2	0	0	0	109.5
159	S	40.7	Very low	39.4	Very low	93 Å²	93	133.7 Å²	133.7	65%	0.65	75%	0.75	S	S	*	*			trans	55	121.5	157.4	54.1	0	0	0	0	119.2
160	T	36.1	Very low	39.3	Very low	139 Å²	139	132.3 Å²	132.3	85%	0.853	75%	0.751	S	S	*	*			cis	-163.5	150.3	41.9	-3.6	0	0	0	0	110.7
161	P	39	Very low	38.9	Very low	110 Å²	110	132.5 Å²	132.5	71%	0.714	75%	0.752	S	S	*	*			trans	-108.9	-174.6	-164.4	40.4	-29.6	0	0	0	114.4
162	I	41.2	Very low	38.7	Very low	145 Å²	145	140.8 Å²	140.8	74%	0.744	78%	0.778	S	S	*	*			trans	121.2	120.5	164.6	-65.6	161.8	0	0	0	109.9
163	Q	40.6	Very low	38.8	Very low	163 Å²	163	141.3 Å²	141.3	76%	0.762	77%	0.774	S	S	*	*			cis	-168.1	143.1	16.5	-112.8	170.4	3.8	0	0	111.6
164	T	42.8	Very low	38.8	Very low	113 Å²	113	142.8 Å²	142.8	69%	0.693	78%	0.779	S	S	*	*			trans	45.8	136.9	136	3.7	0	0	0	0	120.4
165	V	41.4	Very low	39	Very low	130 Å²	130	142.9 Å²	142.9	79%	0.788	78%	0.781	S	S	*	*				-161.3	143	50.9	175.7	0	0	0	0	112.3
166	N	40.5	Very low	38.7	Very low	136 Å²	136	144.9 Å²	144.9	73%	0.727	79%	0.787	S	S	*	*			trans	-34.4	140.4	170.9	-61	-28.1	0	0	0	119.1
167	Q	43.2	Very low	39	Very low	202 Å²	202	145.8 Å²	145.8	94%	0.944	79%	0.793	S	S	*	*			trans	-129.3	128.2	140.9	-116.5	-174.6	-19	0	0	110.2
168	V	42.8	Very low	39.1	Very low	132 Å²	132	145.1 Å²	145.1	80%	0.8	79%	0.791	S	S	*	*			trans	-85.5	123	-167.3	167.4	0	0	0	0	111.5
169	N	42.4	Very low	39.5	Very low	126 Å²	126	145.7 Å²	145.7	67%	0.674	80%	0.796	S	S	*	*			trans	11	144.1	149.2	-149.3	27.5	0	0	0	121.4
170	P	35.4	Very low	39.4	Very low	114 Å²	114	149.8 Å²	149.8	74%	0.74	81%	0.807	S	S	*	*			trans	-130	116.8	137.4	34.1	-19.1	0	0	0	111.2
171	N	33.3	Very low	39.7	Very low	148 Å²	148	150.7 Å²	150.7	79%	0.791	80%	0.803	S	S	*	*			trans	-161.2	124.9	150.7	-98	-25.8	0	0	0	109.7
172	K	33.2	Very low	39.7	Very low	289 Å²	289	154.4 Å²	154.4	100%	1.257	81%	0.811	S	S	*	*			trans	80.3	0	-173.7	-80.6	-179	172.7	178.2	0	117.5

Retrieved 172 of 172 residues in 222.6 ms (Link to these results)

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