A0A096LU76_POEFO Loading...

Fatty acid 2-hydroxylase

AlphaFold DB , UniProt , Accession A0A096LU76, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 263 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	42.6	Very low	55.2	Low	230 Å²	230	124 Å²	124	100%	1.133	61%	0.609	S	S	*	*				0	-10.3	0	-91.3	178.7	-179.4	0	0	112
2	E	36.7	Very low	57.5	Low	176 Å²	176	121.2 Å²	121.2	82%	0.822	60%	0.597	S	S	*	*			trans	-90.1	-23.2	178.2	-71.5	170.7	158.3	0	0	113.6	E4	E2-E4 PolarHBondContact O-N 3.2Å
3	D	41.7	Very low	59.8	Low	119 Å²	119	113.5 Å²	113.5	64%	0.636	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-5.2	-176.8	-52.6	-42.2	0	0	0	115.8
4	E	48.6	Very low	61.8	Low	129 Å²	129	109.6 Å²	109.6	60%	0.603	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-20.9	178.1	-76.1	-168.9	167	0	0	112.8	E2	E2-E4 PolarHBondContact O-N 3.2Å
5	D	50.9	Low	63.5	Low	121 Å²	121	110.4 Å²	110.4	65%	0.647	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-23	-177.1	-119.2	-20.1	0	0	0	113.1	K11	D5-K11 VanDerWaalsContact O-CE 3.23Å; D5-K11 WeakPolarHBondContact O-CE 3.28Å; D5-K11 PolarHBondContact O-NZ 3.03Å
6	E	47.4	Very low	65	Low	153 Å²	153	105.6 Å²	105.6	72%	0.715	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-38.2	179	-100.7	-172.2	166.5	0	0	112.4	K11	E6-K11 PolarHBondContact O-NZ 3.24Å
7	N	54.5	Low	66.5	Low	152 Å²	152	103.5 Å²	103.5	81%	0.813	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	25.5	-175.4	-123.9	1.9	0	0	0	113.6	P9	N7-P9 WeakPolarHBondContact O-CD 3.18Å
8	S	67.3	Low	67.7	Low	26 Å²	26	100.9 Å²	100.9	18%	0.182	53%	0.525	C	S	.	.			trans	-65.9	121.1	179.8	-175.2	0	0	0	0	110.7	Y10 K11	S8-Y10 PolarHBondContact O-N 3.07Å; S8-Y10 WeakPolarHBondContact OG-CD2 3.3Å; S8-K11 PolarHBondContact O-N 3.3Å
9	P	68.4	Low	68.8	Low	29 Å²	29	102.2 Å²	102.2	19%	0.188	53%	0.532	C	S	.	.	G	3₁₀ helix	trans	-56.7	-24.9	-177	-27.9	35.6	0	0	0	114.4	N7 K11 L12 Y162 V234	N7-P9 WeakPolarHBondContact O-CD 3.18Å; P9-K11 PolarHBondContact O-N 2.93Å; P9-L12 WeakPolarHBondContact O-CB 3.03Å; P9-L12 PolarHBondContact O-N 2.87Å; P9-Y162 WeakPolarHBondContact CB-OH 3.23Å; P9-V234 HydrophobicContact CB-CG1 4.49Å; P9-V234 HydrophobicContact CG-CG2 4.47Å
10	Y	72.6	Confident	69.8	Low	95 Å²	95	105.4 Å²	105.4	37%	0.373	54%	0.542	S	S	.	.	G	3₁₀ helix	trans	-59.3	-28.4	176.8	-62.5	-91.9	0	0	0	112.9	S8 L12 C13 Y162	S8-Y10 PolarHBondContact O-N 3.07Å; S8-Y10 WeakPolarHBondContact OG-CD2 3.3Å; Y10-L12 PolarHBondContact O-N 2.87Å; Y10-C13 WeakPolarHBondContact O-CB 3.47Å; Y10-C13 PolarHBondContact O-N 2.91Å; Y10-Y162 HydrophobicContact CD1-CD1 4.43Å; Y10-Y162 AromaticContact CD1-CD2 3.56Å; Y10-Y162 HydrophobicContact CD1-CD2 3.56Å; Y10-Y162 AromaticContact CD1-CE2 3.99Å; Y10-Y162 HydrophobicContact CD1-CE2 3.99Å; Y10-Y162 AromaticContact CD1-CG 3.85Å; Y10-Y162 HydrophobicContact CD1-CG 3.85Å; Y10-Y162 AromaticContact CE1-CD1 3.75Å; Y10-Y162 HydrophobicContact CE1-CD1 3.75Å; Y10-Y162 AromaticContact CE1-CD2 3.65Å; Y10-Y162 HydrophobicContact CE1-CD2 3.65Å; Y10-Y162 HydrophobicContact CE1-CE1 4.36Å; Y10-Y162 HydrophobicContact CE1-CE2 4.26Å; Y10-Y162 AromaticContact CE1-CG 3.39Å; Y10-Y162 HydrophobicContact CE1-CG 3.39Å; Y10-Y162 HydrophobicContact CG-CD2 4.33Å; Y10-Y162 HydrophobicContact CG-CE2 4.3Å; Y10-Y162 AromaticContact CZ-CD1 3.87Å
11	K	76.9	Confident	70.9	Confident	134 Å²	134	102.4 Å²	102.4	58%	0.583	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-71.5	-17.9	177.6	-64.6	-176.4	-175.5	171.9	0	113.3	D5 E6 S8 P9 C13	D5-K11 VanDerWaalsContact O-CE 3.23Å; D5-K11 WeakPolarHBondContact O-CE 3.28Å; D5-K11 PolarHBondContact O-NZ 3.03Å; E6-K11 PolarHBondContact O-NZ 3.24Å; S8-K11 PolarHBondContact O-N 3.3Å; P9-K11 PolarHBondContact O-N 2.93Å; K11-C13 VanDerWaalsContact C-N 3.26Å
12	L	82.4	Confident	73.4	Confident	90 Å²	90	95.6 Å²	95.6	47%	0.471	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-79.1	-12.3	176.3	-58.2	172.4	0	0	0	112.1	P9 Y10 V234 F238	P9-L12 WeakPolarHBondContact O-CB 3.03Å; P9-L12 PolarHBondContact O-N 2.87Å; Y10-L12 PolarHBondContact O-N 2.87Å; L12-V234 HydrophobicContact CD1-CG1 4.32Å; L12-F238 HydrophobicContact CB-CD1 3.39Å; L12-F238 HydrophobicContact CB-CE1 3.59Å; L12-F238 HydrophobicContact CB-CG 3.92Å; L12-F238 HydrophobicContact CB-CZ 4.28Å; L12-F238 HydrophobicContact CD1-CB 4.16Å; L12-F238 HydrophobicContact CD1-CD1 4.27Å; L12-F238 HydrophobicContact CD1-CD2 4.02Å; L12-F238 HydrophobicContact CD1-CG 3.9Å; L12-F238 HydrophobicContact CG-CD1 4.47Å
13	C	87.9	Confident	76.3	Confident	22 Å²	22	87.5 Å²	87.5	15%	0.149	46%	0.458	C	S	.	.	S	Bend	trans	-71.5	138.7	175.8	-71.9	0	0	0	0	111.7	Y10 K11 P47 D49	Y10-C13 WeakPolarHBondContact O-CB 3.47Å; Y10-C13 PolarHBondContact O-N 2.91Å; K11-C13 VanDerWaalsContact C-N 3.26Å; C13-P47 CarbonylContact C-O 3.55Å; C13-P47 WeakPolarHBondContact CA-O 3.29Å; C13-D49 HydrophobicContact CB-CB 3.98Å
14	S	86.8	Confident	78.9	Confident	59 Å²	59	83.9 Å²	83.9	41%	0.413	44%	0.438	S	S	.	.	B	Isolated β-bridge	trans	-74.1	148.2	173.2	-62.4	0	0	0	0	111.4	P47	S14-P47 PolarHBondContact N-O 2.88Å
15	S	87.7	Confident	81.1	Confident	121 Å²	121	78.7 Å²	78.7	85%	0.846	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-75.6	149.7	169.7	59.8	0	0	0	0	111.2
16	V	88.3	Confident	83.2	Confident	34 Å²	34	79.9 Å²	79.9	21%	0.206	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-103.5	118.6	178.2	173.9	0	0	0	0	109.8	L18 W25 V48	V16-L18 HydrophobicContact CG1-CD2 4.2Å; V16-W25 HydrophobicContact CG1-CD2 4.13Å; V16-W25 HydrophobicContact CG1-CG 3.78Å; V16-W25 VanDerWaalsContact CG1-NE1 3.33Å; V16-W25 HydrophobicContact CG2-CZ2 4.14Å; V16-V48 HydrophobicContact CG2-CB 3.88Å; V16-V48 HydrophobicContact CG2-CG1 3.6Å; V16-V48 HydrophobicContact CG2-CG2 4.21Å
17	D	89.5	Confident	85.5	Confident	69 Å²	69	78.3 Å²	78.3	37%	0.369	40%	0.399	S	S	.	.			trans	-90.5	107.8	168.8	-175.1	-27.6	0	0	0	109.2	D19 K20 D21	D17-D19 PolarHBondContact O-N 2.91Å; D17-D19 VanDerWaalsContact O-N 3.11Å; D17-D19 PolarHBondContact OD1-N 2.87Å; D17-D19 VanDerWaalsContact OD1-N 3.08Å; D17-K20 HydrophobicContact CB-CB 4.18Å; D17-K20 PolarHBondContact O-N 3.41Å; D17-K20 PolarHBondContact OD1-N 3.3Å; D17-K20 VanDerWaalsContact OD2-CD 3.25Å; D17-K20 WeakPolarHBondContact OD2-CD 3.43Å; D17-K20 WeakPolarHBondContact OD2-CE 3.45Å; D17-K20 IonicContact OD2-NZ 3.91Å; D17-K20 PolarHBondContact OD2-NZ 3.07Å; D17-D21 WeakPolarHBondContact O-CB 3.48Å; D17-D21 PolarHBondContact O-N 2.97Å
18	L	89.4	Confident	87.5	Confident	58 Å²	58	72.7 Å²	72.7	30%	0.304	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-20.7	-173.2	-65.4	177.6	0	0	0	114.3	V16 W25	V16-L18 HydrophobicContact CG1-CD2 4.2Å; L18-W25 HydrophobicContact CD2-CB 3.74Å; L18-W25 HydrophobicContact CD2-CG 4.47Å
19	D	88.3	Confident	89	Confident	124 Å²	124	71.5 Å²	71.5	66%	0.663	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	-11.5	-175.9	-56.5	-41	0	0	0	112.1	D17 R26	D17-D19 PolarHBondContact O-N 2.91Å; D17-D19 VanDerWaalsContact O-N 3.11Å; D17-D19 PolarHBondContact OD1-N 2.87Å; D17-D19 VanDerWaalsContact OD1-N 3.08Å; D19-R26 IonicContact OD1-CZ 3.4Å; D19-R26 IonicContact OD1-NH1 3.53Å; D19-R26 PolarHBondContact OD1-NH1 3.17Å; D19-R26 VanDerWaalsContact OD1-NH1 3.16Å; D19-R26 IonicContact OD1-NH2 2.75Å; D19-R26 PolarHBondContact OD1-NH2 3.3Å
20	K	89.3	Confident	90.3	Very high	167 Å²	167	70.1 Å²	70.1	73%	0.726	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	-12.6	-178.9	-60.7	-175.3	-165.2	147.9	0	115.3	D17	D17-K20 HydrophobicContact CB-CB 4.18Å; D17-K20 PolarHBondContact O-N 3.41Å; D17-K20 PolarHBondContact OD1-N 3.3Å; D17-K20 VanDerWaalsContact OD2-CD 3.25Å; D17-K20 WeakPolarHBondContact OD2-CD 3.43Å; D17-K20 WeakPolarHBondContact OD2-CE 3.45Å; D17-K20 IonicContact OD2-NZ 3.91Å; D17-K20 PolarHBondContact OD2-NZ 3.07Å
21	D	92.4	Very high	91.4	Very high	43 Å²	43	72.3 Å²	72.3	23%	0.23	36%	0.361	C	S	.	.	S	Bend	trans	-61.8	153.2	176	-158.4	-51.9	0	0	0	110.7	D17 V23 W25 W43	D17-D21 WeakPolarHBondContact O-CB 3.48Å; D17-D21 PolarHBondContact O-N 2.97Å; D21-V23 PolarHBondContact O-N 3.19Å; D21-V23 PolarHBondContact OD1-N 3.11Å; D21-W25 PolarHBondContact OD2-NE1 3.15Å; D21-W43 PolarHBondContact OD1-NE1 3.13Å
22	L	95.1	Very high	92.4	Very high	87 Å²	87	67.9 Å²	67.9	46%	0.455	34%	0.343	S	S	.	.	S	Bend	trans	-69.8	-14.4	179.1	-58.8	177.7	0	0	0	112.6	L36 K39 W43	L22-L36 HydrophobicContact CB-CD2 3.42Å; L22-L36 VanDerWaalsContact CB-CD2 3.42Å; L22-L36 HydrophobicContact CD1-CD2 4.23Å; L22-L36 HydrophobicContact CG-CD2 4.45Å; L22-K39 HydrophobicContact CD1-CB 3.8Å; L22-K39 HydrophobicContact CD1-CD 3.83Å; L22-K39 HydrophobicContact CD1-CG 4.44Å; L22-K39 HydrophobicContact CD2-CD 4.05Å; L22-W43 HydrophobicContact CD1-CB 4.32Å; L22-W43 HydrophobicContact CD1-CG 4.42Å
23	V	96.4	Very high	93.2	Very high	6 Å²	6	63.6 Å²	63.6	4%	0.036	32%	0.32	C	S	.	.	S	Bend	trans	-122.9	151.9	173.1	-56.4	0	0	0	0	111.5	D21 W25 L29 Q32 L36 W43	D21-V23 PolarHBondContact O-N 3.19Å; D21-V23 PolarHBondContact OD1-N 3.11Å; V23-W25 HydrophobicContact CG2-CD2 4.41Å; V23-W25 HydrophobicContact CG2-CG 4.37Å; V23-W25 PolarHBondContact O-N 2.99Å; V23-L29 HydrophobicContact CB-CD2 4.06Å; V23-L29 HydrophobicContact CG2-CD2 3.76Å; V23-Q32 HydrophobicContact CG1-CB 4.33Å; V23-L36 HydrophobicContact CG1-CD1 3.94Å; V23-L36 HydrophobicContact CG1-CD2 3.97Å; V23-L36 HydrophobicContact CG1-CG 4.24Å; V23-W43 HydrophobicContact CB-CZ2 4.37Å; V23-W43 HydrophobicContact CG1-CH2 4.38Å; V23-W43 HydrophobicContact CG1-CZ2 3.95Å; V23-W43 HydrophobicContact CG2-CH2 4.28Å; V23-W43 HydrophobicContact CG2-CZ2 3.45Å; V23-W43 VanDerWaalsContact CG2-CZ2 3.45Å
24	D	96.3	Very high	93.6	Very high	43 Å²	43	62.6 Å²	62.6	23%	0.23	31%	0.313	C	S	.	.			trans	-85	97.4	172.4	-177.4	-7.2	0	0	0	109.6	R26 K27 Q32	D24-R26 PolarHBondContact O-N 3.02Å; D24-R26 VanDerWaalsContact O-N 3.14Å; D24-R26 WeakPolarHBondContact OD1-CB 3.34Å; D24-R26 PolarHBondContact OD1-N 2.76Å; D24-K27 HydrophobicContact CB-CB 4.48Å; D24-K27 HydrophobicContact CB-CD 4.41Å; D24-K27 PolarHBondContact O-N 3.17Å; D24-K27 VanDerWaalsContact OD2-CD 3.26Å; D24-K27 WeakPolarHBondContact OD2-CD 3.34Å; D24-K27 WeakPolarHBondContact OD2-CE 3.41Å; D24-K27 IonicContact OD2-NZ 3.16Å; D24-K27 PolarHBondContact OD2-NZ 3.37Å; D24-Q32 PolarHBondContact O-NE2 3.45Å
25	W	94.8	Very high	94.1	Very high	19 Å²	19	64.6 Å²	64.6	7%	0.072	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-9.9	177.9	-74	93.2	0	0	0	114.6	V16 L18 D21 V23 K27 L29 W43 V48 I52 K159	V16-W25 HydrophobicContact CG1-CD2 4.13Å; V16-W25 HydrophobicContact CG1-CG 3.78Å; V16-W25 VanDerWaalsContact CG1-NE1 3.33Å; V16-W25 HydrophobicContact CG2-CZ2 4.14Å; L18-W25 HydrophobicContact CD2-CB 3.74Å; L18-W25 HydrophobicContact CD2-CG 4.47Å; D21-W25 PolarHBondContact OD2-NE1 3.15Å; V23-W25 HydrophobicContact CG2-CD2 4.41Å; V23-W25 HydrophobicContact CG2-CG 4.37Å; V23-W25 PolarHBondContact O-N 2.99Å; W25-K27 VanDerWaalsContact C-N 3.27Å; W25-L29 HydrophobicContact CE3-CD1 3.97Å; W25-L29 HydrophobicContact CH2-CD1 4.13Å; W25-L29 HydrophobicContact CZ3-CD1 3.77Å; W25-W43 AromaticContact CZ2-CZ2 3.99Å; W25-W43 HydrophobicContact CZ2-CZ2 3.99Å; W25-V48 HydrophobicContact CH2-CG2 3.56Å; W25-V48 HydrophobicContact CZ2-CG2 4.02Å; W25-V48 HydrophobicContact CZ3-CG2 4.36Å; W25-I52 HydrophobicContact CH2-CG1 4.44Å; W25-I52 HydrophobicContact CZ3-CG1 4.03Å; W25-K159 HydrophobicContact CH2-CG 4.18Å
26	R	94.9	Very high	94.6	Very high	147 Å²	147	59.6 Å²	59.6	56%	0.555	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-13.6	172.9	-52.3	172.8	178.1	127.8	-0.3	111	D19 D24	D19-R26 IonicContact OD1-CZ 3.4Å; D19-R26 IonicContact OD1-NH1 3.53Å; D19-R26 PolarHBondContact OD1-NH1 3.17Å; D19-R26 VanDerWaalsContact OD1-NH1 3.16Å; D19-R26 IonicContact OD1-NH2 2.75Å; D19-R26 PolarHBondContact OD1-NH2 3.3Å; D24-R26 PolarHBondContact O-N 3.02Å; D24-R26 VanDerWaalsContact O-N 3.14Å; D24-R26 WeakPolarHBondContact OD1-CB 3.34Å; D24-R26 PolarHBondContact OD1-N 2.76Å
27	K	95.9	Very high	95	Very high	120 Å²	120	63.9 Å²	63.9	52%	0.522	30%	0.296	S	S	.	.	S	Bend	trans	-114.3	161.7	-179.2	-70.1	177.7	-169.5	135.9	0	112.2	D24 W25 Q32	D24-K27 HydrophobicContact CB-CB 4.48Å; D24-K27 HydrophobicContact CB-CD 4.41Å; D24-K27 PolarHBondContact O-N 3.17Å; D24-K27 VanDerWaalsContact OD2-CD 3.26Å; D24-K27 WeakPolarHBondContact OD2-CD 3.34Å; D24-K27 WeakPolarHBondContact OD2-CE 3.41Å; D24-K27 IonicContact OD2-NZ 3.16Å; D24-K27 PolarHBondContact OD2-NZ 3.37Å; W25-K27 VanDerWaalsContact C-N 3.27Å; K27-Q32 PolarHBondContact O-NE2 3.13Å
28	P	97.2	Very high	95.4	Very high	33 Å²	33	68.7 Å²	68.7	21%	0.214	32%	0.316	C	S	.	.			trans	-61	135.5	175	-19.6	31.3	0	0	0	112.5	Q32 R53 L54 G56	P28-Q32 PolarHBondContact O-NE2 2.86Å; P28-R53 CarbonylContact C-O 3.59Å; P28-R53 WeakPolarHBondContact CA-O 3.44Å; P28-L54 WeakPolarHBondContact CB-O 3.26Å; P28-G56 VanDerWaalsContact CG-CA 3.49Å; P28-G56 VanDerWaalsContact CG-N 3.28Å
29	L	97.7	Very high	95.7	Very high	1 Å²	1	72 Å²	72	1%	0.005	33%	0.328	C	S	.	.	S	Bend	trans	-87.4	-24.3	-169.5	-63.5	-170.8	0	0	0	114.9	V23 W25 W31 Q32 V33 I52 R53 F151	V23-L29 HydrophobicContact CB-CD2 4.06Å; V23-L29 HydrophobicContact CG2-CD2 3.76Å; W25-L29 HydrophobicContact CE3-CD1 3.97Å; W25-L29 HydrophobicContact CH2-CD1 4.13Å; W25-L29 HydrophobicContact CZ3-CD1 3.77Å; L29-W31 PolarHBondContact O-N 3.48Å; L29-Q32 PolarHBondContact O-N 3.13Å; L29-V33 PolarHBondContact O-N 3.38Å; L29-I52 HydrophobicContact CD1-CG1 4.32Å; L29-I52 HydrophobicContact CD1-CG2 3.94Å; L29-I52 HydrophobicContact CG-CG2 4.45Å; L29-R53 PolarHBondContact N-O 2.89Å; L29-F151 HydrophobicContact CB-CE1 4.1Å; L29-F151 HydrophobicContact CB-CZ 4.42Å; L29-F151 HydrophobicContact CD1-CZ 4.27Å
30	A	96.8	Very high	96.2	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-37.8	-169.9	0	0	0	0	0	113	L54 F55 T148 L152	A30-L54 HydrophobicContact CB-CB 4.31Å; A30-L54 WeakPolarHBondContact CB-O 3.43Å; A30-L54 PolarHBondContact N-O 3.37Å; A30-F55 HydrophobicContact CB-CD1 4.2Å; A30-F55 HydrophobicContact CB-CE1 3.7Å; A30-F55 HydrophobicContact CB-CZ 3.92Å; A30-T148 WeakPolarHBondContact O-CG2 3.29Å; A30-T148 PolarHBondContact O-OG1 3Å; A30-T148 VanDerWaalsContact O-OG1 3.14Å; A30-L152 HydrophobicContact CB-CD2 4.24Å
31	W	96.4	Very high	96.5	Very high	142 Å²	142	60.7 Å²	60.7	54%	0.538	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-1.8	-179.7	-52.8	121.5	0	0	0	114.3	L29 N35 F55 Y144 T148	L29-W31 PolarHBondContact O-N 3.48Å; W31-N35 PolarHBondContact O-ND2 3.25Å; W31-F55 AromaticContact CZ2-CE1 3.97Å; W31-F55 HydrophobicContact CZ2-CE1 3.97Å; W31-F55 AromaticContact NE1-CD1 3.93Å; W31-F55 AromaticContact NE1-CE1 3.88Å; W31-Y144 WeakPolarHBondContact CA-OH 3.32Å; W31-Y144 HydrophobicContact CE3-CE1 4.33Å; W31-Y144 PolarHBondContact O-OH 3.15Å; W31-T148 HydrophobicContact CE3-CG2 4.45Å; W31-T148 HydrophobicContact CZ3-CG2 4.32Å
32	Q	97.9	Very high	96.6	Very high	41 Å²	41	61.6 Å²	61.6	19%	0.192	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-43.4	175.7	-63.8	-173	64.3	0	0	111.5	V23 D24 K27 P28 L29 G34 N35	V23-Q32 HydrophobicContact CG1-CB 4.33Å; D24-Q32 PolarHBondContact O-NE2 3.45Å; K27-Q32 PolarHBondContact O-NE2 3.13Å; P28-Q32 PolarHBondContact O-NE2 2.86Å; L29-Q32 PolarHBondContact O-N 3.13Å; Q32-G34 VanDerWaalsContact C-N 3.3Å; Q32-G34 PolarHBondContact O-N 3.34Å; Q32-N35 WeakPolarHBondContact O-CB 3.29Å; Q32-N35 PolarHBondContact O-N 3.23Å; Q32-N35 PolarHBondContact O-ND2 3.38Å
33	V	97.7	Very high	96.7	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-60.3	-33.4	-168.8	-66.6	0	0	0	0	114.3	L29 N35 L36 Y40 W43 I147 F151	L29-V33 PolarHBondContact O-N 3.38Å; V33-N35 PolarHBondContact O-N 3.02Å; V33-N35 VanDerWaalsContact O-N 3.15Å; V33-L36 HydrophobicContact CB-CD1 4.4Å; V33-L36 HydrophobicContact CG1-CD1 4.46Å; V33-L36 VanDerWaalsContact O-CB 3.27Å; V33-L36 WeakPolarHBondContact O-CB 3.28Å; V33-L36 WeakPolarHBondContact O-CG 3.49Å; V33-L36 PolarHBondContact O-N 3.23Å; V33-Y40 HydrophobicContact CB-CE2 4.31Å; V33-W43 HydrophobicContact CG1-CH2 4Å; V33-W43 HydrophobicContact CG1-CZ3 3.81Å; V33-I147 WeakPolarHBondContact O-CG2 3.48Å; V33-F151 HydrophobicContact CB-CD1 4.43Å; V33-F151 HydrophobicContact CB-CG 4.33Å; V33-F151 HydrophobicContact CG1-CD1 3.92Å; V33-F151 HydrophobicContact CG1-CD2 4.17Å; V33-F151 HydrophobicContact CG1-CE1 3.96Å; V33-F151 HydrophobicContact CG1-CE2 4.23Å; V33-F151 HydrophobicContact CG1-CG 4.01Å; V33-F151 HydrophobicContact CG1-CZ 4.12Å; V33-F151 HydrophobicContact CG2-CB 3.88Å; V33-F151 HydrophobicContact CG2-CD1 3.84Å; V33-F151 HydrophobicContact CG2-CG 3.93Å
34	G	97.3	Very high	96.6	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-63	-20.6	177	0	0	0	0	0	113.7	Q32 L36 Y144	Q32-G34 VanDerWaalsContact C-N 3.3Å; Q32-G34 PolarHBondContact O-N 3.34Å; G34-L36 VanDerWaalsContact C-N 3.31Å; G34-Y144 WeakPolarHBondContact O-CD2 3.48Å
35	N	97.9	Very high	96.5	Very high	101 Å²	101	56.7 Å²	56.7	54%	0.54	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-80.5	-10.5	176.4	-62.1	-54.9	0	0	0	113.3	W31 Q32 V33 R37	W31-N35 PolarHBondContact O-ND2 3.25Å; Q32-N35 WeakPolarHBondContact O-CB 3.29Å; Q32-N35 PolarHBondContact O-N 3.23Å; Q32-N35 PolarHBondContact O-ND2 3.38Å; V33-N35 PolarHBondContact O-N 3.02Å; V33-N35 VanDerWaalsContact O-N 3.15Å; N35-R37 VanDerWaalsContact C-N 3.29Å; N35-R37 PolarHBondContact O-N 3.19Å
36	L	97.5	Very high	96.5	Very high	16 Å²	16	60.4 Å²	60.4	8%	0.084	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-70.4	-25.6	-179.8	-64.1	177	0	0	0	112.8	L22 V23 V33 G34 E38 K39 Y40 W43	L22-L36 HydrophobicContact CB-CD2 3.42Å; L22-L36 VanDerWaalsContact CB-CD2 3.42Å; L22-L36 HydrophobicContact CD1-CD2 4.23Å; L22-L36 HydrophobicContact CG-CD2 4.45Å; V23-L36 HydrophobicContact CG1-CD1 3.94Å; V23-L36 HydrophobicContact CG1-CD2 3.97Å; V23-L36 HydrophobicContact CG1-CG 4.24Å; V33-L36 HydrophobicContact CB-CD1 4.4Å; V33-L36 HydrophobicContact CG1-CD1 4.46Å; V33-L36 VanDerWaalsContact O-CB 3.27Å; V33-L36 WeakPolarHBondContact O-CB 3.28Å; V33-L36 WeakPolarHBondContact O-CG 3.49Å; V33-L36 PolarHBondContact O-N 3.23Å; G34-L36 VanDerWaalsContact C-N 3.31Å; L36-E38 PolarHBondContact O-N 3.42Å; L36-K39 WeakPolarHBondContact O-CB 3.43Å; L36-K39 PolarHBondContact O-N 3.04Å; L36-Y40 HydrophobicContact CD1-CD2 4.12Å; L36-W43 HydrophobicContact CD1-CB 4.37Å; L36-W43 HydrophobicContact CD1-CD2 3.59Å; L36-W43 HydrophobicContact CD1-CE3 3.47Å; L36-W43 VanDerWaalsContact CD1-CE3 3.47Å; L36-W43 HydrophobicContact CD1-CG 3.99Å; L36-W43 HydrophobicContact CD1-CZ3 4.04Å
37	R	96.7	Very high	96.4	Very high	125 Å²	125	53.8 Å²	53.8	47%	0.472	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	50.1	-119.4	176.1	-58.1	-175.4	178.5	-78.6	2.4	111.6	N35 K39 Y40 A141	N35-R37 VanDerWaalsContact C-N 3.29Å; N35-R37 PolarHBondContact O-N 3.19Å; R37-K39 PolarHBondContact O-N 2.97Å; R37-Y40 WeakPolarHBondContact O-CB 3.46Å; R37-Y40 PolarHBondContact O-N 2.76Å; R37-Y40 VanDerWaalsContact O-N 3.09Å; R37-A141 WeakPolarHBondContact CA-O 3.43Å; R37-A141 HydrophobicContact CB-CB 4.36Å; R37-A141 VanDerWaalsContact CB-O 3.28Å; R37-A141 WeakPolarHBondContact CB-O 3.46Å; R37-A141 WeakPolarHBondContact CG-O 3.41Å
38	E	97.1	Very high	96.3	Very high	170 Å²	170	48.2 Å²	48.2	79%	0.794	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-60.8	-27	-178	-61.2	172.3	175.2	0	0	112.9	L36 Y40 A141	L36-E38 PolarHBondContact O-N 3.42Å; E38-Y40 VanDerWaalsContact C-N 3.31Å; E38-A141 HydrophobicContact CB-CB 4.38Å; E38-A141 HydrophobicContact CG-CB 3.64Å
39	K	97.3	Very high	96.1	Very high	128 Å²	128	51 Å²	51	56%	0.557	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-81.5	-12.4	-179.6	-55.3	-177.3	-178	-179.7	0	113	L22 L36 R37 D41 W43	L22-K39 HydrophobicContact CD1-CB 3.8Å; L22-K39 HydrophobicContact CD1-CD 3.83Å; L22-K39 HydrophobicContact CD1-CG 4.44Å; L22-K39 HydrophobicContact CD2-CD 4.05Å; L36-K39 WeakPolarHBondContact O-CB 3.43Å; L36-K39 PolarHBondContact O-N 3.04Å; R37-K39 PolarHBondContact O-N 2.97Å; K39-D41 PolarHBondContact O-N 3.41Å; K39-W43 VanDerWaalsContact O-CB 3.25Å; K39-W43 WeakPolarHBondContact O-CB 3.45Å; K39-W43 PolarHBondContact O-N 3.2Å
40	Y	97.7	Very high	95.8	Very high	3 Å²	3	55.5 Å²	55.5	1%	0.012	26%	0.261	C	S	.	.	H	α-helix	trans	-59.2	-49.1	-174.2	174.1	-108.5	0	0	0	112.6	V33 L36 R37 E38 A42 W43 V44 P139 I147 H150 F151	V33-Y40 HydrophobicContact CB-CE2 4.31Å; L36-Y40 HydrophobicContact CD1-CD2 4.12Å; R37-Y40 WeakPolarHBondContact O-CB 3.46Å; R37-Y40 PolarHBondContact O-N 2.76Å; R37-Y40 VanDerWaalsContact O-N 3.09Å; E38-Y40 VanDerWaalsContact C-N 3.31Å; Y40-A42 VanDerWaalsContact C-N 3.34Å; Y40-A42 PolarHBondContact O-N 3.39Å; Y40-W43 HydrophobicContact CD2-CE3 4.5Å; Y40-W43 PolarHBondContact O-N 3.1Å; Y40-W43 VanDerWaalsContact O-N 3.13Å; Y40-V44 HydrophobicContact CD2-CB 4.45Å; Y40-V44 HydrophobicContact CE1-CG1 4.19Å; Y40-V44 HydrophobicContact CE2-CB 3.96Å; Y40-V44 HydrophobicContact CE2-CG1 4.5Å; Y40-V44 HydrophobicContact CE2-CG2 4.16Å; Y40-V44 WeakPolarHBondContact O-CB 3.38Å; Y40-V44 WeakPolarHBondContact O-CG1 2.99Å; Y40-V44 PolarHBondContact O-N 3.22Å; Y40-P139 HydrophobicContact CD1-CG 3.84Å; Y40-P139 HydrophobicContact CE1-CG 3.77Å; Y40-I147 HydrophobicContact CD1-CG1 4.33Å; Y40-I147 HydrophobicContact CD1-CG2 3.78Å; Y40-I147 HydrophobicContact CD2-CG2 3.41Å; Y40-I147 VanDerWaalsContact CD2-CG2 3.41Å; Y40-I147 HydrophobicContact CE1-CG2 3.99Å; Y40-I147 HydrophobicContact CE2-CG2 3.64Å; Y40-I147 HydrophobicContact CG-CG2 3.47Å; Y40-I147 VanDerWaalsContact CG-CG2 3.47Å; Y40-H150 HydrophobicContact CE1-CB 4.47Å; Y40-H150 AromaticContact CE1-ND1 3.31Å; Y40-H150 VanDerWaalsContact CE1-ND1 3.31Å; Y40-H150 WeakPolarHBondContact CE1-ND1 3.32Å; Y40-H150 AromaticContact CZ-ND1 3.45Å; Y40-H150 PolarHBondContact OH-ND1 3.5Å; Y40-F151 HydrophobicContact CE2-CB 4.25Å; Y40-F151 HydrophobicContact CE2-CD2 4.35Å; Y40-F151 VanDerWaalsContact OH-CA 3.26Å; Y40-F151 WeakPolarHBondContact OH-CA 3.13Å; Y40-F151 WeakPolarHBondContact OH-CB 3.29Å; Y40-F151 PolarHBondContact OH-N 3.42Å; Y40-F151 VanDerWaalsContact OH-N 3.15Å
41	D	95.3	Very high	95.5	Very high	50 Å²	50	60.1 Å²	60.1	27%	0.267	29%	0.291	S	S	.	.	H	α-helix	trans	-59.9	-43.3	-174.5	-171.1	53.4	0	0	0	111.8	K39 H45 K138	K39-D41 PolarHBondContact O-N 3.41Å; D41-H45 WeakPolarHBondContact O-CB 3.41Å; D41-H45 PolarHBondContact O-ND1 3.4Å; D41-H45 IonicContact OD1-CE1 3.79Å; D41-H45 IonicContact OD1-ND1 3.77Å; D41-K138 WeakPolarHBondContact OD2-CE 3.5Å; D41-K138 IonicContact OD2-NZ 2.73Å; D41-K138 PolarHBondContact OD2-NZ 3.18Å
42	A	94.9	Very high	95.4	Very high	62 Å²	62	53.7 Å²	53.7	51%	0.512	27%	0.267	S	S	.	.	H	α-helix	trans	-71.4	-39.5	175.3	0	0	0	0	0	112.2	Y40 Q46	Y40-A42 VanDerWaalsContact C-N 3.34Å; Y40-A42 PolarHBondContact O-N 3.39Å; A42-Q46 WeakPolarHBondContact O-CG 3.4Å
43	W	96.3	Very high	95.3	Very high	7 Å²	7	57.6 Å²	57.6	3%	0.027	28%	0.28	C	S	.	.	H	α-helix	trans	-70	-40.7	-175.6	175.4	88.2	0	0	0	113.5	D21 L22 V23 W25 V33 L36 K39 Y40 H45 Q46 F151 K159	D21-W43 PolarHBondContact OD1-NE1 3.13Å; L22-W43 HydrophobicContact CD1-CB 4.32Å; L22-W43 HydrophobicContact CD1-CG 4.42Å; V23-W43 HydrophobicContact CB-CZ2 4.37Å; V23-W43 HydrophobicContact CG1-CH2 4.38Å; V23-W43 HydrophobicContact CG1-CZ2 3.95Å; V23-W43 HydrophobicContact CG2-CH2 4.28Å; V23-W43 HydrophobicContact CG2-CZ2 3.45Å; V23-W43 VanDerWaalsContact CG2-CZ2 3.45Å; W25-W43 AromaticContact CZ2-CZ2 3.99Å; W25-W43 HydrophobicContact CZ2-CZ2 3.99Å; V33-W43 HydrophobicContact CG1-CH2 4Å; V33-W43 HydrophobicContact CG1-CZ3 3.81Å; L36-W43 HydrophobicContact CD1-CB 4.37Å; L36-W43 HydrophobicContact CD1-CD2 3.59Å; L36-W43 HydrophobicContact CD1-CE3 3.47Å; L36-W43 VanDerWaalsContact CD1-CE3 3.47Å; L36-W43 HydrophobicContact CD1-CG 3.99Å; L36-W43 HydrophobicContact CD1-CZ3 4.04Å; K39-W43 VanDerWaalsContact O-CB 3.25Å; K39-W43 WeakPolarHBondContact O-CB 3.45Å; K39-W43 PolarHBondContact O-N 3.2Å; Y40-W43 HydrophobicContact CD2-CE3 4.5Å; Y40-W43 PolarHBondContact O-N 3.1Å; Y40-W43 VanDerWaalsContact O-N 3.13Å; W43-H45 PolarHBondContact O-N 3.5Å; W43-Q46 PolarHBondContact O-N 3.27Å; W43-F151 HydrophobicContact CH2-CE2 4.07Å; W43-F151 HydrophobicContact CH2-CZ 4.34Å; W43-F151 HydrophobicContact CZ3-CD2 4.25Å; W43-F151 AromaticContact CZ3-CE2 3.8Å; W43-F151 HydrophobicContact CZ3-CE2 3.8Å; W43-F151 HydrophobicContact CZ3-CZ 4.47Å; W43-K159 HydrophobicContact CH2-CD 4.28Å; W43-K159 HydrophobicContact CH2-CG 3.99Å; W43-K159 HydrophobicContact CZ2-CD 4.3Å; W43-K159 HydrophobicContact CZ2-CG 4.38Å; W43-K159 HydrophobicContact CZ3-CD 4.46Å; W43-K159 HydrophobicContact CZ3-CG 4.3Å; W43-K159 PolarHBondContact O-NZ 3.24Å
44	V	96.2	Very high	95.3	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-68.5	-29	-177.2	72.3	0	0	0	0	111.8	Y40 Q46 F151 G155 K159	Y40-V44 HydrophobicContact CD2-CB 4.45Å; Y40-V44 HydrophobicContact CE1-CG1 4.19Å; Y40-V44 HydrophobicContact CE2-CB 3.96Å; Y40-V44 HydrophobicContact CE2-CG1 4.5Å; Y40-V44 HydrophobicContact CE2-CG2 4.16Å; Y40-V44 WeakPolarHBondContact O-CB 3.38Å; Y40-V44 WeakPolarHBondContact O-CG1 2.99Å; Y40-V44 PolarHBondContact O-N 3.22Å; V44-Q46 VanDerWaalsContact C-N 3.32Å; V44-F151 HydrophobicContact CG2-CD2 4.06Å; V44-F151 HydrophobicContact CG2-CE2 4.48Å; V44-G155 WeakPolarHBondContact CG2-O 3.38Å; V44-K159 HydrophobicContact CG2-CB 4.49Å; V44-K159 WeakPolarHBondContact O-CA 3.29Å; V44-K159 PolarHBondContact O-N 2.85Å
45	H	93.5	Very high	95.3	Very high	25 Å²	25	58.5 Å²	58.5	12%	0.116	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	17	-178.4	-76.9	122.3	0	0	0	113.9	D41 W43 P47 H136 Q241	D41-H45 WeakPolarHBondContact O-CB 3.41Å; D41-H45 PolarHBondContact O-ND1 3.4Å; D41-H45 IonicContact OD1-CE1 3.79Å; D41-H45 IonicContact OD1-ND1 3.77Å; W43-H45 PolarHBondContact O-N 3.5Å; H45-P47 WeakPolarHBondContact O-CD 3.17Å; H45-H136 AromaticContact NE2-CE1 3.99Å; H45-H136 AromaticContact NE2-ND1 3.87Å; H45-Q241 VanDerWaalsContact CB-CD 3.45Å; H45-Q241 PolarHBondContact CD2-OE1 3.21Å; H45-Q241 PolarHBondContact O-NE2 2.84Å
46	Q	93.6	Very high	95.2	Very high	98 Å²	98	55.6 Å²	55.6	46%	0.458	28%	0.278	S	S	.	.	S	Bend	trans	-109.6	91.5	169.1	-75	171.2	-4.4	0	0	107.9	A42 W43 V44 K159	A42-Q46 WeakPolarHBondContact O-CG 3.4Å; W43-Q46 PolarHBondContact O-N 3.27Å; V44-Q46 VanDerWaalsContact C-N 3.32Å; Q46-K159 VanDerWaalsContact O-CD 3.28Å; Q46-K159 WeakPolarHBondContact O-CD 3.09Å; Q46-K159 WeakPolarHBondContact O-CE 3.39Å; Q46-K159 PolarHBondContact O-NZ 3.45Å
47	P	94	Very high	95.1	Very high	8 Å²	8	58.4 Å²	58.4	5%	0.052	29%	0.293	C	S	.	.			trans	-58.3	143.6	-176.3	-25.7	36.1	0	0	0	112	C13 S14 H45 K159 P161 F238	C13-P47 CarbonylContact C-O 3.55Å; C13-P47 WeakPolarHBondContact CA-O 3.29Å; S14-P47 PolarHBondContact N-O 2.88Å; H45-P47 WeakPolarHBondContact O-CD 3.17Å; P47-K159 CarbonylContact C-O 3.49Å; P47-K159 WeakPolarHBondContact CA-O 3.28Å; P47-P161 HydrophobicContact CB-CG 4Å; P47-F238 HydrophobicContact CB-CD1 4.08Å; P47-F238 HydrophobicContact CB-CE1 3.52Å; P47-F238 HydrophobicContact CB-CZ 4.18Å; P47-F238 HydrophobicContact CG-CD1 3.72Å; P47-F238 HydrophobicContact CG-CE1 3.67Å; P47-F238 HydrophobicContact CG-CZ 4.41Å
48	V	94.1	Very high	95	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.018	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-130	147.8	174.3	-56.6	0	0	0	0	109.3	V16 W25 R50 K159	V16-V48 HydrophobicContact CG2-CB 3.88Å; V16-V48 HydrophobicContact CG2-CG1 3.6Å; V16-V48 HydrophobicContact CG2-CG2 4.21Å; W25-V48 HydrophobicContact CH2-CG2 3.56Å; W25-V48 HydrophobicContact CZ2-CG2 4.02Å; W25-V48 HydrophobicContact CZ3-CG2 4.36Å; V48-R50 HydrophobicContact CG2-CB 4.17Å; V48-R50 PolarHBondContact O-N 2.88Å; V48-K159 HydrophobicContact CG2-CD 4.48Å; V48-K159 WeakPolarHBondContact CG2-O 3.42Å; V48-K159 PolarHBondContact N-O 2.81Å
49	D	91.9	Very high	94.9	Very high	92 Å²	92	56.1 Å²	56.1	49%	0.492	30%	0.301	S	S	.	.	S	Bend	trans	-91.7	73.3	174.1	-173	20.7	0	0	0	109.9	C13	C13-D49 HydrophobicContact CB-CB 3.98Å
50	R	90.9	Very high	94.7	Very high	95 Å²	95	54.3 Å²	54.3	36%	0.358	30%	0.295	S	S	.	.	S	Bend	trans	-155.6	126.6	-176.9	-174	-176.1	-179	106	-0.6	112.2	V48 S160	V48-R50 HydrophobicContact CG2-CB 4.17Å; V48-R50 PolarHBondContact O-N 2.88Å; R50-S160 WeakPolarHBondContact O-CB 3.07Å; R50-S160 PolarHBondContact O-OG 3.23Å
51	P	91.7	Very high	94.6	Very high	97 Å²	97	55 Å²	55	63%	0.63	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-56	142.7	174.8	-24.6	33.3	0	0	0	113.4	D163	P51-D163 WeakPolarHBondContact CA-OD2 3.25Å
52	I	94.4	Very high	94.5	Very high	6 Å²	6	55.5 Å²	55.5	3%	0.031	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-99.3	132.1	-178.9	-69.7	168.4	0	0	0	110.4	W25 L29 L54 F151 Q156 K159 D163 R166	W25-I52 HydrophobicContact CH2-CG1 4.44Å; W25-I52 HydrophobicContact CZ3-CG1 4.03Å; L29-I52 HydrophobicContact CD1-CG1 4.32Å; L29-I52 HydrophobicContact CD1-CG2 3.94Å; L29-I52 HydrophobicContact CG-CG2 4.45Å; I52-L54 HydrophobicContact CG2-CD2 3.62Å; I52-L54 HydrophobicContact CG2-CG 4.06Å; I52-F151 HydrophobicContact CD1-CZ 4.09Å; I52-F151 HydrophobicContact CG2-CZ 4.41Å; I52-Q156 HydrophobicContact CD1-CB 4.02Å; I52-Q156 WeakPolarHBondContact CD1-O 3.4Å; I52-K159 HydrophobicContact CD1-CB 4.28Å; I52-K159 HydrophobicContact CD1-CG 4.37Å; I52-D163 PolarHBondContact N-OD2 2.75Å; I52-R166 PolarHBondContact O-NE 2.84Å
53	R	95.9	Very high	94.3	Very high	124 Å²	124	56.2 Å²	56.2	47%	0.468	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-98	118.5	164.4	-174.7	-179.6	179.3	-179.1	4	109.1	P28 L29 F55 G56	P28-R53 CarbonylContact C-O 3.59Å; P28-R53 WeakPolarHBondContact CA-O 3.44Å; L29-R53 PolarHBondContact N-O 2.89Å; R53-F55 PolarHBondContact NE-O 3.15Å; R53-F55 VanDerWaalsContact NE-O 3.12Å; R53-G56 PolarHBondContact NH2-O 3.41Å; R53-G56 VanDerWaalsContact NH2-O 3.11Å
54	L	96.9	Very high	94.2	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	32%	0.323	C	S	.	.			trans	-90.5	-43.4	-178.4	-69.6	-178.9	0	0	0	112.1	P28 A30 I52 E61 T64 F151 L152	P28-L54 WeakPolarHBondContact CB-O 3.26Å; A30-L54 HydrophobicContact CB-CB 4.31Å; A30-L54 WeakPolarHBondContact CB-O 3.43Å; A30-L54 PolarHBondContact N-O 3.37Å; I52-L54 HydrophobicContact CG2-CD2 3.62Å; I52-L54 HydrophobicContact CG2-CG 4.06Å; L54-E61 PolarHBondContact N-OE2 3.39Å; L54-T64 HydrophobicContact CD1-CG2 4.05Å; L54-F151 HydrophobicContact CD2-CD1 4.16Å; L54-F151 HydrophobicContact CD2-CE1 3.57Å; L54-L152 HydrophobicContact CD1-CD2 3.65Å; L54-L152 HydrophobicContact CD2-CD2 3.96Å; L54-L152 HydrophobicContact CG-CD2 4.33Å
55	F	97.3	Very high	94.1	Very high	19 Å²	19	62.3 Å²	62.3	8%	0.083	35%	0.345	C	S	.	.			trans	-124	148.4	-173.1	-61.7	-72.8	0	0	0	113	A30 W31 R53 M60 E61 T64 L152	A30-F55 HydrophobicContact CB-CD1 4.2Å; A30-F55 HydrophobicContact CB-CE1 3.7Å; A30-F55 HydrophobicContact CB-CZ 3.92Å; W31-F55 AromaticContact CZ2-CE1 3.97Å; W31-F55 HydrophobicContact CZ2-CE1 3.97Å; W31-F55 AromaticContact NE1-CD1 3.93Å; W31-F55 AromaticContact NE1-CE1 3.88Å; R53-F55 PolarHBondContact NE-O 3.15Å; R53-F55 VanDerWaalsContact NE-O 3.12Å; F55-M60 HydrophobicContact CB-CB 3.82Å; F55-M60 HydrophobicContact CD1-CE 3.67Å; F55-M60 HydrophobicContact CD1-SD 4.45Å; F55-M60 HydrophobicContact CD2-CB 4.05Å; F55-M60 HydrophobicContact CE1-CE 3.69Å; F55-M60 HydrophobicContact CG-CB 3.87Å; F55-M60 HydrophobicContact CG-CE 4.11Å; F55-M60 HydrophobicContact CZ-CE 4.14Å; F55-E61 HydrophobicContact CB-CB 4.41Å; F55-E61 PolarHBondContact N-OE2 2.85Å; F55-T64 HydrophobicContact CD2-CG2 3.82Å; F55-T64 HydrophobicContact CE2-CG2 3.54Å; F55-L152 HydrophobicContact CZ-CD2 4.43Å
56	G	95.3	Very high	94.1	Very high	39 Å²	39	61.6 Å²	61.6	40%	0.402	34%	0.342	S	S	.	.	S	Bend	trans	-74.2	-38.2	173.6	0	0	0	0	0	111.7	P28 R53	P28-G56 VanDerWaalsContact CG-CA 3.49Å; P28-G56 VanDerWaalsContact CG-N 3.28Å; R53-G56 PolarHBondContact NH2-O 3.41Å; R53-G56 VanDerWaalsContact NH2-O 3.11Å
57	N	96.3	Very high	94.2	Very high	76 Å²	76	59 Å²	59	41%	0.406	34%	0.335	S	S	.	.	S	Bend	trans	-69.3	124.3	178.6	-179.4	-68.5	0	0	0	110.7	L59 M60 E61	N57-L59 VanDerWaalsContact C-N 3.34Å; N57-L59 PolarHBondContact O-N 2.89Å; N57-L59 WeakPolarHBondContact OD1-CA 3.35Å; N57-L59 WeakPolarHBondContact OD1-CB 3.42Å; N57-L59 PolarHBondContact OD1-N 3.39Å; N57-M60 HydrophobicContact CB-CB 4.15Å; N57-M60 HydrophobicContact CB-CG 4.07Å; N57-M60 HydrophobicContact CB-SD 4.11Å; N57-M60 PolarHBondContact O-N 2.91Å; N57-M60 PolarHBondContact OD1-N 2.88Å; N57-M60 VanDerWaalsContact OD1-N 3.08Å; N57-E61 WeakPolarHBondContact O-CB 3.25Å; N57-E61 PolarHBondContact O-N 3.19Å
58	P	95.3	Very high	94.3	Very high	105 Å²	105	64 Å²	64	68%	0.682	35%	0.353	S	S	*	.	H	α-helix	trans	-61.2	-35.4	-176.9	-26.1	34.9	0	0	0	114.7	A62	P58-A62 VanDerWaalsContact O-CB 3.28Å; P58-A62 WeakPolarHBondContact O-CB 3.47Å; P58-A62 PolarHBondContact O-N 3Å
59	L	94.5	Very high	94.4	Very high	142 Å²	142	68.8 Å²	68.8	74%	0.743	37%	0.371	S	S	*	.	H	α-helix	trans	-70.7	-45	179.9	-64.3	173.2	0	0	0	111	N57 E61 A62 A63	N57-L59 VanDerWaalsContact C-N 3.34Å; N57-L59 PolarHBondContact O-N 2.89Å; N57-L59 WeakPolarHBondContact OD1-CA 3.35Å; N57-L59 WeakPolarHBondContact OD1-CB 3.42Å; N57-L59 PolarHBondContact OD1-N 3.39Å; L59-E61 VanDerWaalsContact C-N 3.33Å; L59-E61 PolarHBondContact O-N 3.23Å; L59-A62 PolarHBondContact O-N 3.37Å; L59-A63 WeakPolarHBondContact O-CB 3.39Å; L59-A63 PolarHBondContact O-N 3.47Å
60	M	93.6	Very high	94.6	Very high	89 Å²	89	70.1 Å²	70.1	44%	0.438	37%	0.37	S	S	.	.	H	α-helix	trans	-63	-41.3	175.2	-66.5	-177.3	70.3	0	0	111.5	F55 N57 A63 T64	F55-M60 HydrophobicContact CB-CB 3.82Å; F55-M60 HydrophobicContact CD1-CE 3.67Å; F55-M60 HydrophobicContact CD1-SD 4.45Å; F55-M60 HydrophobicContact CD2-CB 4.05Å; F55-M60 HydrophobicContact CE1-CE 3.69Å; F55-M60 HydrophobicContact CG-CB 3.87Å; F55-M60 HydrophobicContact CG-CE 4.11Å; F55-M60 HydrophobicContact CZ-CE 4.14Å; N57-M60 HydrophobicContact CB-CB 4.15Å; N57-M60 HydrophobicContact CB-CG 4.07Å; N57-M60 HydrophobicContact CB-SD 4.11Å; N57-M60 PolarHBondContact O-N 2.91Å; N57-M60 PolarHBondContact OD1-N 2.88Å; N57-M60 VanDerWaalsContact OD1-N 3.08Å; M60-A63 PolarHBondContact O-N 3.37Å; M60-T64 WeakPolarHBondContact O-CG2 3.44Å; M60-T64 PolarHBondContact O-N 3.03Å
61	E	95.5	Very high	95	Very high	17 Å²	17	65.6 Å²	65.6	8%	0.079	35%	0.353	C	S	.	.	H	α-helix	trans	-62.6	-46.9	176.7	-178.5	63.4	-165.4	0	0	111	L54 F55 N57 L59 A63 T64 K65 R166	L54-E61 PolarHBondContact N-OE2 3.39Å; F55-E61 HydrophobicContact CB-CB 4.41Å; F55-E61 PolarHBondContact N-OE2 2.85Å; N57-E61 WeakPolarHBondContact O-CB 3.25Å; N57-E61 PolarHBondContact O-N 3.19Å; L59-E61 VanDerWaalsContact C-N 3.33Å; L59-E61 PolarHBondContact O-N 3.23Å; E61-A63 VanDerWaalsContact C-N 3.33Å; E61-A63 PolarHBondContact O-N 3.26Å; E61-T64 PolarHBondContact O-N 3.33Å; E61-T64 VanDerWaalsContact O-N 3.14Å; E61-T64 PolarHBondContact O-OG1 2.93Å; E61-K65 WeakPolarHBondContact OE1-CE 3.44Å; E61-K65 IonicContact OE1-NZ 2.93Å; E61-R166 IonicContact OE1-CZ 3.84Å; E61-R166 IonicContact OE1-NH2 2.71Å; E61-R166 PolarHBondContact OE1-NH2 2.98Å; E61-R166 IonicContact OE2-NH2 3.38Å; E61-R166 PolarHBondContact OE2-NH2 3.38Å
62	A	92.9	Very high	95.3	Very high	61 Å²	61	62 Å²	62	50%	0.504	33%	0.329	S	S	.	.	H	α-helix	trans	-60.2	-41.3	176.6	0	0	0	0	0	112.3	P58 L59 T64 K65	P58-A62 VanDerWaalsContact O-CB 3.28Å; P58-A62 WeakPolarHBondContact O-CB 3.47Å; P58-A62 PolarHBondContact O-N 3Å; L59-A62 PolarHBondContact O-N 3.37Å; A62-T64 PolarHBondContact O-N 2.69Å; A62-T64 VanDerWaalsContact O-N 3.14Å; A62-K65 PolarHBondContact O-N 3.49Å
63	A	91.4	Very high	95.5	Very high	78 Å²	78	65.5 Å²	65.5	65%	0.645	35%	0.35	S	S	*	.	H	α-helix	trans	-64.1	-17	178.2	0	0	0	0	0	113.9	L59 M60 E61	L59-A63 WeakPolarHBondContact O-CB 3.39Å; L59-A63 PolarHBondContact O-N 3.47Å; M60-A63 PolarHBondContact O-N 3.37Å; E61-A63 VanDerWaalsContact C-N 3.33Å; E61-A63 PolarHBondContact O-N 3.26Å
64	T	92.6	Very high	95.6	Very high	28 Å²	28	62 Å²	62	17%	0.172	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-5.1	176.1	65.1	0	0	0	0	114.3	L54 F55 M60 E61 A62 R166	L54-T64 HydrophobicContact CD1-CG2 4.05Å; F55-T64 HydrophobicContact CD2-CG2 3.82Å; F55-T64 HydrophobicContact CE2-CG2 3.54Å; M60-T64 WeakPolarHBondContact O-CG2 3.44Å; M60-T64 PolarHBondContact O-N 3.03Å; E61-T64 PolarHBondContact O-N 3.33Å; E61-T64 VanDerWaalsContact O-N 3.14Å; E61-T64 PolarHBondContact O-OG1 2.93Å; A62-T64 PolarHBondContact O-N 2.69Å; A62-T64 VanDerWaalsContact O-N 3.14Å; T64-R166 VanDerWaalsContact CB-NH1 3.29Å; T64-R166 PolarHBondContact O-NH1 3.19Å; T64-R166 VanDerWaalsContact O-NH1 3.09Å; T64-R166 PolarHBondContact OG1-NH1 3.46Å; T64-R166 PolarHBondContact OG1-NH2 3.43Å
65	K	93.9	Very high	95.7	Very high	107 Å²	107	62.6 Å²	62.6	47%	0.465	35%	0.345	S	S	.	.			trans	-97.9	118.5	179.3	-69.7	-177.6	179.5	-178	0	109.4	E61 A62 S165	E61-K65 WeakPolarHBondContact OE1-CE 3.44Å; E61-K65 IonicContact OE1-NZ 2.93Å; A62-K65 PolarHBondContact O-N 3.49Å; K65-S165 CarbonylContact C-O 3.55Å; K65-S165 WeakPolarHBondContact CA-O 3.41Å
66	T	94.9	Very high	95.7	Very high	10 Å²	10	64.3 Å²	64.3	6%	0.061	36%	0.355	C	S	.	.			trans	-126.6	110.8	-178.4	-54	0	0	0	0	109.6	W70 S165 V168 P170	T66-W70 HydrophobicContact CG2-CB 4.08Å; T66-S165 PolarHBondContact N-O 3.3Å; T66-V168 HydrophobicContact CG2-CG2 3.59Å; T66-V168 WeakPolarHBondContact O-CG2 3.19Å; T66-P170 WeakPolarHBondContact OG1-CA 3.4Å; T66-P170 WeakPolarHBondContact OG1-CB 3.44Å
67	S	95.3	Very high	95.9	Very high	44 Å²	44	66 Å²	66	31%	0.308	36%	0.359	S	S	.	.			trans	-67.5	144.1	168.3	-54.8	0	0	0	0	110.4	Y69 W70	S67-Y69 PolarHBondContact O-N 3.27Å; S67-Y69 VanDerWaalsContact O-N 3.08Å; S67-W70 WeakPolarHBondContact O-CB 3.26Å; S67-W70 PolarHBondContact O-N 3.28Å
68	W	96	Very high	96	Very high	113 Å²	113	65.3 Å²	65.3	43%	0.428	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49	-41.1	-176.9	68.4	-91.1	0	0	0	114.1	W70 V71 P72 V168 M210 Y213	W68-W70 PolarHBondContact O-N 3Å; W68-W70 VanDerWaalsContact O-N 3.14Å; W68-V71 PolarHBondContact O-N 3.23Å; W68-P72 VanDerWaalsContact O-CD 3.26Å; W68-P72 WeakPolarHBondContact O-CD 3.49Å; W68-V168 HydrophobicContact CB-CG1 4.33Å; W68-M210 HydrophobicContact CE3-SD 3.72Å; W68-M210 HydrophobicContact CZ3-SD 4.28Å; W68-M210 WeakPolarHBondContact O-CE 3.27Å; W68-Y213 HydrophobicContact CB-CD1 3.79Å; W68-Y213 HydrophobicContact CB-CD2 3.66Å; W68-Y213 HydrophobicContact CB-CE1 3.86Å; W68-Y213 HydrophobicContact CB-CE2 3.72Å; W68-Y213 HydrophobicContact CB-CG 3.7Å; W68-Y213 AromaticContact CD1-CE1 3.58Å; W68-Y213 AromaticContact CD1-CZ 3.47Å; W68-Y213 VanDerWaalsContact CD1-CZ 3.47Å; W68-Y213 HydrophobicContact CD2-CE1 4.48Å; W68-Y213 AromaticContact CG-CD1 4Å; W68-Y213 HydrophobicContact CG-CD1 4Å; W68-Y213 AromaticContact CG-CE1 3.71Å; W68-Y213 HydrophobicContact CG-CE1 3.71Å; W68-Y213 HydrophobicContact CG-CE2 4.24Å; W68-Y213 HydrophobicContact CG-CG 4.4Å; W68-Y213 AromaticContact CG-CZ 3.83Å
69	Y	96.2	Very high	96.1	Very high	102 Å²	102	60.7 Å²	60.7	40%	0.4	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-17	-175.1	59.6	-103	0	0	0	113.9	S67 V71 P72 V73	S67-Y69 PolarHBondContact O-N 3.27Å; S67-Y69 VanDerWaalsContact O-N 3.08Å; Y69-V71 VanDerWaalsContact C-N 3.27Å; Y69-V71 PolarHBondContact O-N 3.47Å; Y69-P72 VanDerWaalsContact O-CD 3.25Å; Y69-P72 WeakPolarHBondContact O-CD 3.27Å; Y69-P72 VanDerWaalsContact O-CG 3.32Å; Y69-P72 WeakPolarHBondContact O-CG 3.22Å; Y69-V73 VanDerWaalsContact O-CB 3.32Å; Y69-V73 WeakPolarHBondContact O-CB 3.42Å; Y69-V73 WeakPolarHBondContact O-CG2 3.43Å; Y69-V73 PolarHBondContact O-N 3.16Å
70	W	97	Very high	96.3	Very high	121 Å²	121	60.9 Å²	60.9	46%	0.458	32%	0.319	S	S	.	.	H	α-helix	trans	-66.9	-29.3	176.8	-80.2	116.8	0	0	0	112.8	T66 S67 W68 V73 V74 P171	T66-W70 HydrophobicContact CG2-CB 4.08Å; S67-W70 WeakPolarHBondContact O-CB 3.26Å; S67-W70 PolarHBondContact O-N 3.28Å; W68-W70 PolarHBondContact O-N 3Å; W68-W70 VanDerWaalsContact O-N 3.14Å; W70-V73 HydrophobicContact CE3-CB 4.35Å; W70-V73 HydrophobicContact CE3-CG1 3.99Å; W70-V73 HydrophobicContact CZ3-CG1 3.96Å; W70-V74 HydrophobicContact CE3-CG2 4.38Å; W70-V74 WeakPolarHBondContact O-CB 3.44Å; W70-V74 VanDerWaalsContact O-CG2 3.28Å; W70-V74 WeakPolarHBondContact O-CG2 3.47Å; W70-V74 PolarHBondContact O-N 2.87Å; W70-P171 HydrophobicContact CB-CG 4.28Å
71	V	97.7	Very high	96.6	Very high	0 Å²	0	64 Å²	64	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-61	-59.5	175.1	179.7	0	0	0	0	110.5	W68 Y69 V73 V74 W75 V168 Y205 V206 D209 M210	W68-V71 PolarHBondContact O-N 3.23Å; Y69-V71 VanDerWaalsContact C-N 3.27Å; Y69-V71 PolarHBondContact O-N 3.47Å; V71-V73 PolarHBondContact O-N 3.01Å; V71-V74 PolarHBondContact O-N 2.9Å; V71-W75 WeakPolarHBondContact O-CB 3.33Å; V71-W75 PolarHBondContact O-N 2.86Å; V71-V168 HydrophobicContact CG2-CB 3.83Å; V71-V168 HydrophobicContact CG2-CG1 4.34Å; V71-V168 HydrophobicContact CG2-CG2 4.01Å; V71-Y205 HydrophobicContact CG1-CE1 4.3Å; V71-V206 HydrophobicContact CG1-CG1 4.37Å; V71-V206 HydrophobicContact CG1-CG2 4.34Å; V71-D209 HydrophobicContact CG1-CB 3.98Å; V71-D209 HydrophobicContact CG2-CB 4.39Å; V71-M210 HydrophobicContact CB-CE 3.73Å; V71-M210 HydrophobicContact CG1-CE 4.08Å; V71-M210 HydrophobicContact CG2-CE 4.13Å
72	P	98.3	Very high	96.7	Very high	22 Å²	22	64.5 Å²	64.5	14%	0.143	33%	0.33	C	S	.	.	H	α-helix	trans	-65.5	-36	178.8	23.8	-33.1	0	0	0	113.2	W68 Y69 V74 L76 V206 M210	W68-P72 VanDerWaalsContact O-CD 3.26Å; W68-P72 WeakPolarHBondContact O-CD 3.49Å; Y69-P72 VanDerWaalsContact O-CD 3.25Å; Y69-P72 WeakPolarHBondContact O-CD 3.27Å; Y69-P72 VanDerWaalsContact O-CG 3.32Å; Y69-P72 WeakPolarHBondContact O-CG 3.22Å; P72-V74 VanDerWaalsContact C-N 3.31Å; P72-V74 PolarHBondContact O-N 2.9Å; P72-L76 HydrophobicContact CB-CD1 3.57Å; P72-L76 HydrophobicContact CB-CG 3.94Å; P72-L76 WeakPolarHBondContact O-CB 3.46Å; P72-L76 WeakPolarHBondContact O-CG 3.34Å; P72-L76 PolarHBondContact O-N 3.28Å; P72-V206 HydrophobicContact CB-CG1 4.31Å; P72-M210 HydrophobicContact CG-SD 4Å
73	V	98.3	Very high	97	Very high	78 Å²	78	62 Å²	62	47%	0.473	31%	0.311	S	S	.	.	H	α-helix	trans	-60.1	-40.3	178.7	165.6	0	0	0	0	112	Y69 W70 V71 P77	Y69-V73 VanDerWaalsContact O-CB 3.32Å; Y69-V73 WeakPolarHBondContact O-CB 3.42Å; Y69-V73 WeakPolarHBondContact O-CG2 3.43Å; Y69-V73 PolarHBondContact O-N 3.16Å; W70-V73 HydrophobicContact CE3-CB 4.35Å; W70-V73 HydrophobicContact CE3-CG1 3.99Å; W70-V73 HydrophobicContact CZ3-CG1 3.96Å; V71-V73 PolarHBondContact O-N 3.01Å; V73-P77 VanDerWaalsContact O-CD 3.27Å; V73-P77 WeakPolarHBondContact O-CD 3.38Å; V73-P77 VanDerWaalsContact O-CG 3.31Å; V73-P77 WeakPolarHBondContact O-CG 3.47Å
74	V	98.1	Very high	97.3	Very high	50 Å²	50	66.6 Å²	66.6	30%	0.303	31%	0.312	S	S	.	.	H	α-helix	trans	-80	-46.3	179.9	173.6	0	0	0	0	111.3	W70 V71 P72 P171	W70-V74 HydrophobicContact CE3-CG2 4.38Å; W70-V74 WeakPolarHBondContact O-CB 3.44Å; W70-V74 VanDerWaalsContact O-CG2 3.28Å; W70-V74 WeakPolarHBondContact O-CG2 3.47Å; W70-V74 PolarHBondContact O-N 2.87Å; V71-V74 PolarHBondContact O-N 2.9Å; P72-V74 VanDerWaalsContact C-N 3.31Å; P72-V74 PolarHBondContact O-N 2.9Å; V74-P171 HydrophobicContact CB-CB 4.25Å; V74-P171 HydrophobicContact CG1-CB 4.16Å; V74-P171 HydrophobicContact CG2-CB 4.07Å; V74-P171 HydrophobicContact CG2-CG 4.23Å
75	W	98.6	Very high	97.5	Very high	14 Å²	14	68.8 Å²	68.8	5%	0.053	32%	0.32	C	S	.	.	H	α-helix	trans	-92.9	-32.3	-165	-59.3	118.9	0	0	0	114.3	V71 I78 V79 P171 A174 V178 L202 Y205 V206	V71-W75 WeakPolarHBondContact O-CB 3.33Å; V71-W75 PolarHBondContact O-N 2.86Å; W75-I78 HydrophobicContact CE3-CD1 3.74Å; W75-I78 HydrophobicContact CZ3-CD1 3.87Å; W75-I78 WeakPolarHBondContact O-CB 3.46Å; W75-I78 PolarHBondContact O-N 2.92Å; W75-V79 WeakPolarHBondContact O-CG2 3.49Å; W75-V79 PolarHBondContact O-N 3.39Å; W75-P171 HydrophobicContact CZ2-CB 4.06Å; W75-P171 WeakPolarHBondContact CZ2-O 3.34Å; W75-A174 HydrophobicContact CZ2-CB 3.9Å; W75-V178 HydrophobicContact CH2-CB 4.38Å; W75-V178 HydrophobicContact CH2-CG1 4.38Å; W75-V178 HydrophobicContact CH2-CG2 4.3Å; W75-V178 HydrophobicContact CZ3-CB 4.46Å; W75-V178 HydrophobicContact CZ3-CG1 3.98Å; W75-V178 HydrophobicContact CZ3-CG2 4.48Å; W75-L202 HydrophobicContact CB-CD1 4.4Å; W75-L202 HydrophobicContact CD2-CD1 4.11Å; W75-L202 HydrophobicContact CE3-CD1 3.81Å; W75-L202 HydrophobicContact CE3-CD2 4.26Å; W75-L202 HydrophobicContact CG-CD1 4.35Å; W75-Y205 AromaticContact CD1-CE1 3.61Å; W75-Y205 HydrophobicContact CD2-CE1 4.47Å; W75-Y205 HydrophobicContact CG-CE1 4.21Å; W75-Y205 AromaticContact NE1-CE1 3.56Å; W75-V206 HydrophobicContact CB-CG2 3.38Å; W75-V206 HydrophobicContact CG-CG2 4.15Å
76	L	98.4	Very high	97.7	Very high	54 Å²	54	63.7 Å²	63.7	28%	0.283	30%	0.298	S	S	.	.	H	α-helix	trans	-64	-40.4	180	-67.1	179.9	0	0	0	113.4	P72 I78 V79 F80 V206	P72-L76 HydrophobicContact CB-CD1 3.57Å; P72-L76 HydrophobicContact CB-CG 3.94Å; P72-L76 WeakPolarHBondContact O-CB 3.46Å; P72-L76 WeakPolarHBondContact O-CG 3.34Å; P72-L76 PolarHBondContact O-N 3.28Å; L76-I78 PolarHBondContact O-N 3.37Å; L76-V79 PolarHBondContact O-N 3.02Å; L76-F80 HydrophobicContact CB-CD2 4.24Å; L76-F80 HydrophobicContact CB-CE2 3.97Å; L76-F80 WeakPolarHBondContact O-CD2 3.45Å; L76-F80 PolarHBondContact O-N 3.46Å; L76-V206 HydrophobicContact CD2-CB 4.48Å; L76-V206 HydrophobicContact CD2-CG1 3.94Å; L76-V206 HydrophobicContact CG-CG1 4.23Å
77	P	98.7	Very high	97.7	Very high	75 Å²	75	67.7 Å²	67.7	49%	0.487	31%	0.312	S	S	.	.	H	α-helix	trans	-56.9	-38.6	173.5	-27	36.4	0	0	0	112.7	V73 Y81	V73-P77 VanDerWaalsContact O-CD 3.27Å; V73-P77 WeakPolarHBondContact O-CD 3.38Å; V73-P77 VanDerWaalsContact O-CG 3.31Å; V73-P77 WeakPolarHBondContact O-CG 3.47Å; P77-Y81 VanDerWaalsContact O-CB 3.23Å; P77-Y81 WeakPolarHBondContact O-CB 3.49Å; P77-Y81 PolarHBondContact O-N 2.96Å
78	I	98.4	Very high	97.8	Very high	61 Å²	61	67.5 Å²	67.5	31%	0.313	31%	0.309	S	S	.	.	H	α-helix	trans	-67.3	-45.8	176.9	-61.8	170.2	0	0	0	110.3	W75 L76 F80 Y81 L82 L202	W75-I78 HydrophobicContact CE3-CD1 3.74Å; W75-I78 HydrophobicContact CZ3-CD1 3.87Å; W75-I78 WeakPolarHBondContact O-CB 3.46Å; W75-I78 PolarHBondContact O-N 2.92Å; L76-I78 PolarHBondContact O-N 3.37Å; I78-F80 PolarHBondContact O-N 2.87Å; I78-Y81 PolarHBondContact O-N 2.99Å; I78-L82 HydrophobicContact CG2-CD1 3.65Å; I78-L82 HydrophobicContact CG2-CG 4.17Å; I78-L82 WeakPolarHBondContact O-CB 3.4Å; I78-L82 WeakPolarHBondContact O-CG 3.37Å; I78-L82 PolarHBondContact O-N 2.86Å; I78-L202 HydrophobicContact CB-CD2 4.22Å; I78-L202 HydrophobicContact CG2-CD2 3.76Å
79	V	98.7	Very high	97.8	Very high	9 Å²	9	63.4 Å²	63.4	6%	0.055	30%	0.297	C	S	.	.	H	α-helix	trans	-57.7	-48.1	176.2	170	0	0	0	0	111	W75 L76 G83 V199 L202 C203	W75-V79 WeakPolarHBondContact O-CG2 3.49Å; W75-V79 PolarHBondContact O-N 3.39Å; L76-V79 PolarHBondContact O-N 3.02Å; V79-G83 WeakPolarHBondContact O-CA 3.31Å; V79-G83 PolarHBondContact O-N 3.01Å; V79-V199 HydrophobicContact CG1-CG1 4.03Å; V79-V199 WeakPolarHBondContact O-CG1 3.26Å; V79-L202 HydrophobicContact CG2-CB 4.15Å; V79-L202 HydrophobicContact CG2-CD2 3.76Å; V79-L202 HydrophobicContact CG2-CG 3.76Å; V79-C203 HydrophobicContact CG1-CB 3.9Å; V79-C203 HydrophobicContact CG2-CB 4.17Å
80	F	98.6	Very high	97.7	Very high	145 Å²	145	58.6 Å²	58.6	64%	0.636	28%	0.278	S	S	*	.	H	α-helix	trans	-66.7	-45.9	-179.7	-71.2	-55.4	0	0	0	112.3	L76 I78 W84	L76-F80 HydrophobicContact CB-CD2 4.24Å; L76-F80 HydrophobicContact CB-CE2 3.97Å; L76-F80 WeakPolarHBondContact O-CD2 3.45Å; L76-F80 PolarHBondContact O-N 3.46Å; I78-F80 PolarHBondContact O-N 2.87Å; F80-W84 VanDerWaalsContact O-CB 3.27Å; F80-W84 WeakPolarHBondContact O-CB 3.21Å; F80-W84 PolarHBondContact O-N 2.92Å
81	Y	98.6	Very high	97.6	Very high	155 Å²	155	55.2 Å²	55.2	61%	0.608	28%	0.276	S	S	*	.	H	α-helix	trans	-62.8	-52.4	179.9	171.9	-102.5	0	0	0	111.8	P77 I78 G83 W84 H85	P77-Y81 VanDerWaalsContact O-CB 3.23Å; P77-Y81 WeakPolarHBondContact O-CB 3.49Å; P77-Y81 PolarHBondContact O-N 2.96Å; I78-Y81 PolarHBondContact O-N 2.99Å; Y81-G83 VanDerWaalsContact C-N 3.35Å; Y81-G83 PolarHBondContact O-N 3.34Å; Y81-W84 PolarHBondContact O-N 3.49Å; Y81-H85 WeakPolarHBondContact O-CB 3.36Å; Y81-H85 PolarHBondContact O-N 3.37Å
82	L	98.3	Very high	97.4	Very high	27 Å²	27	61.4 Å²	61.4	14%	0.141	31%	0.305	C	S	.	.	H	α-helix	trans	-69.7	-33.5	-178.9	-67.2	-179.6	0	0	0	112	I78 H85 C86 T195 F198 V199	I78-L82 HydrophobicContact CG2-CD1 3.65Å; I78-L82 HydrophobicContact CG2-CG 4.17Å; I78-L82 WeakPolarHBondContact O-CB 3.4Å; I78-L82 WeakPolarHBondContact O-CG 3.37Å; I78-L82 PolarHBondContact O-N 2.86Å; L82-H85 PolarHBondContact O-N 2.72Å; L82-C86 WeakPolarHBondContact O-CB 3.36Å; L82-C86 PolarHBondContact O-N 2.86Å; L82-C86 PolarHBondContact O-SG 2.92Å; L82-T195 HydrophobicContact CB-CG2 4.3Å; L82-T195 HydrophobicContact CD1-CG2 4.42Å; L82-T195 HydrophobicContact CD2-CG2 4.34Å; L82-F198 HydrophobicContact CD1-CD1 4.11Å; L82-F198 HydrophobicContact CD1-CE1 3.8Å; L82-V199 HydrophobicContact CB-CG2 3.27Å; L82-V199 HydrophobicContact CD1-CG2 4.05Å; L82-V199 HydrophobicContact CG-CG2 4.32Å
83	G	98.3	Very high	97	Very high	10 Å²	10	62.6 Å²	62.6	10%	0.103	32%	0.321	C	S	.	.	H	α-helix	trans	-63.2	-47.6	173.3	0	0	0	0	0	112	V79 Y81 C86 Y87	V79-G83 WeakPolarHBondContact O-CA 3.31Å; V79-G83 PolarHBondContact O-N 3.01Å; Y81-G83 VanDerWaalsContact C-N 3.35Å; Y81-G83 PolarHBondContact O-N 3.34Å; G83-C86 PolarHBondContact O-N 3.41Å; G83-Y87 WeakPolarHBondContact O-CB 3.39Å; G83-Y87 PolarHBondContact O-N 3.15Å
84	W	98.1	Very high	96.5	Very high	174 Å²	174	65 Å²	65	66%	0.659	33%	0.331	S	S	*	.	H	α-helix	trans	-59.2	-46.2	172.6	170.8	-101.7	0	0	0	111.9	F80 Y81 Y87 T88	F80-W84 VanDerWaalsContact O-CB 3.27Å; F80-W84 WeakPolarHBondContact O-CB 3.21Å; F80-W84 PolarHBondContact O-N 2.92Å; Y81-W84 PolarHBondContact O-N 3.49Å; W84-Y87 PolarHBondContact O-N 3.39Å; W84-T88 HydrophobicContact CD2-CG2 3.81Å; W84-T88 VanDerWaalsContact CE2-CG2 3.45Å; W84-T88 HydrophobicContact CE3-CG2 4.12Å; W84-T88 HydrophobicContact CG-CG2 4.45Å; W84-T88 HydrophobicContact CH2-CG2 3.84Å; W84-T88 HydrophobicContact CZ2-CG2 3.49Å; W84-T88 VanDerWaalsContact CZ2-CG2 3.49Å; W84-T88 HydrophobicContact CZ3-CG2 4.14Å; W84-T88 WeakPolarHBondContact O-CB 3.33Å; W84-T88 WeakPolarHBondContact O-CG2 3.48Å; W84-T88 PolarHBondContact O-N 2.67Å; W84-T88 PolarHBondContact O-OG1 2.65Å
85	H	97.5	Very high	96.1	Very high	74 Å²	74	63.5 Å²	63.5	34%	0.343	32%	0.323	S	S	.	.	H	α-helix	trans	-57.5	-52.9	177.6	177.9	-95.8	0	0	0	111.3	Y81 L82 Y87 T88 T89	Y81-H85 WeakPolarHBondContact O-CB 3.36Å; Y81-H85 PolarHBondContact O-N 3.37Å; L82-H85 PolarHBondContact O-N 2.72Å; H85-Y87 PolarHBondContact O-N 3.19Å; H85-T88 PolarHBondContact O-N 2.98Å; H85-T88 PolarHBondContact O-OG1 2.93Å; H85-T89 WeakPolarHBondContact O-CB 3.25Å; H85-T89 PolarHBondContact O-N 2.91Å; H85-T89 PolarHBondContact O-OG1 3.15Å
86	C	97.1	Very high	95.6	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-59.4	-45	179.3	-68	0	0	0	0	112.4	L82 G83 L90 F112 T195 S196	L82-C86 WeakPolarHBondContact O-CB 3.36Å; L82-C86 PolarHBondContact O-N 2.86Å; L82-C86 PolarHBondContact O-SG 2.92Å; G83-C86 PolarHBondContact O-N 3.41Å; C86-L90 VanDerWaalsContact O-CG 3.29Å; C86-L90 WeakPolarHBondContact O-CG 3.25Å; C86-L90 PolarHBondContact O-N 2.96Å; C86-F112 HydrophobicContact CB-CD2 3.79Å; C86-F112 HydrophobicContact CB-CE2 3.71Å; C86-T195 WeakPolarHBondContact SG-CG2 3.38Å; C86-S196 WeakPolarHBondContact CB-OG 3.25Å
87	Y	96.6	Very high	95.1	Very high	93 Å²	93	68.1 Å²	68.1	37%	0.365	34%	0.339	S	S	.	.	H	α-helix	trans	-63.6	-43.7	179.6	-178.1	-97.2	0	0	0	112	G83 W84 H85 L90 A91 K109 F112	G83-Y87 WeakPolarHBondContact O-CB 3.39Å; G83-Y87 PolarHBondContact O-N 3.15Å; W84-Y87 PolarHBondContact O-N 3.39Å; H85-Y87 PolarHBondContact O-N 3.19Å; Y87-L90 PolarHBondContact O-N 2.84Å; Y87-A91 VanDerWaalsContact O-CB 3.26Å; Y87-A91 WeakPolarHBondContact O-CB 3.49Å; Y87-A91 PolarHBondContact O-N 2.83Å; Y87-K109 HydrophobicContact CE2-CB 4.41Å; Y87-K109 HydrophobicContact CE2-CD 4.36Å; Y87-F112 HydrophobicContact CD2-CB 4.37Å; Y87-F112 AromaticContact CD2-CD1 3.98Å; Y87-F112 HydrophobicContact CD2-CD1 3.98Å; Y87-F112 HydrophobicContact CD2-CG 4.34Å
88	T	96.4	Very high	94.5	Very high	40 Å²	40	72.3 Å²	72.3	25%	0.245	35%	0.352	C	S	.	.	H	α-helix	trans	-69.1	-39.8	179.2	52	0	0	0	0	112.6	W84 H85 A91 Q92	W84-T88 HydrophobicContact CD2-CG2 3.81Å; W84-T88 VanDerWaalsContact CE2-CG2 3.45Å; W84-T88 HydrophobicContact CE3-CG2 4.12Å; W84-T88 HydrophobicContact CG-CG2 4.45Å; W84-T88 HydrophobicContact CH2-CG2 3.84Å; W84-T88 HydrophobicContact CZ2-CG2 3.49Å; W84-T88 VanDerWaalsContact CZ2-CG2 3.49Å; W84-T88 HydrophobicContact CZ3-CG2 4.14Å; W84-T88 WeakPolarHBondContact O-CB 3.33Å; W84-T88 WeakPolarHBondContact O-CG2 3.48Å; W84-T88 PolarHBondContact O-N 2.67Å; W84-T88 PolarHBondContact O-OG1 2.65Å; H85-T88 PolarHBondContact O-N 2.98Å; H85-T88 PolarHBondContact O-OG1 2.93Å; T88-A91 PolarHBondContact O-N 3.33Å; T88-Q92 WeakPolarHBondContact O-CG 3.33Å; T88-Q92 PolarHBondContact O-N 3.25Å
89	T	95.8	Very high	93.9	Very high	27 Å²	27	74.8 Å²	74.8	17%	0.166	37%	0.365	C	S	.	.	H	α-helix	trans	-59.3	-48.3	173.2	-58.3	0	0	0	0	111.3	H85 A91 Q92 T192	H85-T89 WeakPolarHBondContact O-CB 3.25Å; H85-T89 PolarHBondContact O-N 2.91Å; H85-T89 PolarHBondContact O-OG1 3.15Å; T89-A91 VanDerWaalsContact C-N 3.28Å; T89-A91 PolarHBondContact O-N 3.48Å; T89-Q92 WeakPolarHBondContact O-CB 3.35Å; T89-Q92 PolarHBondContact O-N 2.76Å; T89-T192 HydrophobicContact CG2-CG2 3.98Å
90	L	95.3	Very high	93.2	Very high	2 Å²	2	78.5 Å²	78.5	1%	0.01	39%	0.388	C	S	.	.	H	α-helix	trans	-66.8	-31	177.8	-66.6	167.2	0	0	0	112.4	C86 Y87 Q92 G93 T95 I107 K109 F112 T192	C86-L90 VanDerWaalsContact O-CG 3.29Å; C86-L90 WeakPolarHBondContact O-CG 3.25Å; C86-L90 PolarHBondContact O-N 2.96Å; Y87-L90 PolarHBondContact O-N 2.84Å; L90-Q92 PolarHBondContact O-N 3.33Å; L90-G93 PolarHBondContact O-N 3.18Å; L90-T95 HydrophobicContact CD2-CG2 3.82Å; L90-I107 HydrophobicContact CD2-CB 4.26Å; L90-I107 HydrophobicContact CD2-CG2 3.84Å; L90-K109 HydrophobicContact CB-CB 4.05Å; L90-F112 HydrophobicContact CD1-CB 3.79Å; L90-T192 HydrophobicContact CD1-CG2 4.27Å; L90-T192 HydrophobicContact CD2-CG2 3.86Å; L90-T192 HydrophobicContact CG-CG2 3.71Å
91	A	94.6	Very high	92.5	Very high	50 Å²	50	77.6 Å²	77.6	41%	0.413	40%	0.4	S	S	.	.	H	α-helix	trans	-68.8	-20.1	177.5	0	0	0	0	0	113.6	Y87 T88 T89 G93 K109	Y87-A91 VanDerWaalsContact O-CB 3.26Å; Y87-A91 WeakPolarHBondContact O-CB 3.49Å; Y87-A91 PolarHBondContact O-N 2.83Å; T88-A91 PolarHBondContact O-N 3.33Å; T89-A91 VanDerWaalsContact C-N 3.28Å; T89-A91 PolarHBondContact O-N 3.48Å; A91-G93 PolarHBondContact O-N 3.02Å; A91-K109 HydrophobicContact CB-CB 4.35Å; A91-K109 HydrophobicContact CB-CD 3.97Å
92	Q	94	Very high	91.9	Very high	130 Å²	130	77.9 Å²	77.9	61%	0.607	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-19.3	172.2	-65.9	170.3	3.2	0	0	112.5	T88 T89 L90 N94	T88-Q92 WeakPolarHBondContact O-CG 3.33Å; T88-Q92 PolarHBondContact O-N 3.25Å; T89-Q92 WeakPolarHBondContact O-CB 3.35Å; T89-Q92 PolarHBondContact O-N 2.76Å; L90-Q92 PolarHBondContact O-N 3.33Å; Q92-N94 PolarHBondContact O-N 2.95Å
93	G	88.6	Confident	91.4	Very high	47 Å²	47	82.2 Å²	82.2	49%	0.485	43%	0.43	S	S	.	.	S	Bend	trans	76.4	3.3	177.4	0	0	0	0	0	115.2	L90 A91	L90-G93 PolarHBondContact O-N 3.18Å; A91-G93 PolarHBondContact O-N 3.02Å
94	N	89.1	Confident	91	Very high	128 Å²	128	83.6 Å²	83.6	68%	0.684	44%	0.438	S	S	*	.			trans	-91.7	-10.7	-177.4	-64	-23.4	0	0	0	113.4	Q92 R96	Q92-N94 PolarHBondContact O-N 2.95Å; N94-R96 PolarHBondContact O-N 3.16Å
95	T	89.2	Confident	90.6	Very high	19 Å²	19	77.9 Å²	77.9	12%	0.117	42%	0.422	C	S	.	.			trans	-72.6	124	179.5	-51.6	0	0	0	0	110.6	L90 I107 L193	L90-T95 HydrophobicContact CD2-CG2 3.82Å; T95-I107 HydrophobicContact CG2-CB 4.3Å; T95-I107 PolarHBondContact O-N 2.8Å; T95-L193 HydrophobicContact CG2-CD1 4.12Å
96	R	88	Confident	90.3	Very high	120 Å²	120	77.8 Å²	77.8	45%	0.453	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	147.9	179.3	-53.6	-178.2	70.1	83	1.1	109.9	N94 S104 V105	N94-R96 PolarHBondContact O-N 3.16Å; R96-S104 PolarHBondContact NE-OG 2.91Å; R96-S104 PolarHBondContact NH2-O 3.16Å; R96-S104 PolarHBondContact NH2-OG 2.94Å; R96-V105 CarbonylContact C-O 3.51Å; R96-V105 VanDerWaalsContact CA-O 3.3Å; R96-V105 WeakPolarHBondContact CA-O 3.45Å
97	I	87.6	Confident	90.1	Very high	45 Å²	45	78.7 Å²	78.7	23%	0.231	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	123.1	166.8	-59.3	178.7	0	0	0	107.4	L99 S104 V105 I107 P190 L193	I97-L99 HydrophobicContact CG2-CD2 4.16Å; I97-L99 HydrophobicContact CG2-CG 4.43Å; I97-S104 CarbonylContact O-C 3.48Å; I97-S104 WeakPolarHBondContact O-CA 3.41Å; I97-V105 PolarHBondContact N-O 2.87Å; I97-V105 PolarHBondContact O-N 3.15Å; I97-I107 HydrophobicContact CD1-CD1 3.5Å; I97-I107 VanDerWaalsContact CD1-CD1 3.5Å; I97-I107 HydrophobicContact CD1-CG1 3.96Å; I97-I107 HydrophobicContact CG1-CD1 3.7Å; I97-I107 HydrophobicContact CG1-CG1 3.68Å; I97-P190 HydrophobicContact CG1-CG 4.26Å; I97-L193 HydrophobicContact CD1-CD2 3.5Å; I97-L193 VanDerWaalsContact CD1-CD2 3.5Å; I97-L193 HydrophobicContact CG1-CD2 4.09Å
98	E	86.8	Confident	90	Very high	162 Å²	162	76.8 Å²	76.8	76%	0.757	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	119.2	170.1	-64.1	178.8	-176.6	0	0	108.7
99	L	85.1	Confident	89.8	Confident	114 Å²	114	79.7 Å²	79.7	60%	0.597	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99	-32.6	177.1	-68	170.2	0	0	0	111.1	I97 F103 V105	I97-L99 HydrophobicContact CG2-CD2 4.16Å; I97-L99 HydrophobicContact CG2-CG 4.43Å; L99-F103 HydrophobicContact CB-CD1 4.06Å; L99-F103 HydrophobicContact CD1-CD1 3.71Å; L99-F103 HydrophobicContact CD1-CE1 3.62Å; L99-F103 HydrophobicContact CG-CD1 4.43Å; L99-F103 PolarHBondContact N-O 3.35Å; L99-V105 HydrophobicContact CD1-CG2 3.83Å
100	T	84.3	Confident	89.7	Confident	87 Å²	87	84.7 Å²	84.7	53%	0.534	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	171.2	170.4	64.9	0	0	0	0	108.5	D102 F103	T100-D102 PolarHBondContact O-N 3.43Å; T100-F103 PolarHBondContact N-O 3.46Å; T100-F103 PolarHBondContact O-N 3.08Å; T100-F103 VanDerWaalsContact OG1-CB 3.28Å; T100-F103 WeakPolarHBondContact OG1-CB 3.46Å; T100-F103 PolarHBondContact OG1-N 3.22Å
101	S	82.8	Confident	89.7	Confident	125 Å²	125	86.4 Å²	86.4	87%	0.874	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-28.2	178.3	-53.8	0	0	0	0	113.9
102	D	86.3	Confident	89.8	Confident	162 Å²	162	85.3 Å²	85.3	87%	0.866	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	-7.8	-175.7	-57	-42.6	0	0	0	113.5	T100	T100-D102 PolarHBondContact O-N 3.43Å
103	F	88.2	Confident	90	Very high	117 Å²	117	82.4 Å²	82.4	51%	0.513	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	115.6	-175	-170	-111.4	0	0	0	111.9	L99 T100 V105	L99-F103 HydrophobicContact CB-CD1 4.06Å; L99-F103 HydrophobicContact CD1-CD1 3.71Å; L99-F103 HydrophobicContact CD1-CE1 3.62Å; L99-F103 HydrophobicContact CG-CD1 4.43Å; L99-F103 PolarHBondContact N-O 3.35Å; T100-F103 PolarHBondContact N-O 3.46Å; T100-F103 PolarHBondContact O-N 3.08Å; T100-F103 VanDerWaalsContact OG1-CB 3.28Å; T100-F103 WeakPolarHBondContact OG1-CB 3.46Å; T100-F103 PolarHBondContact OG1-N 3.22Å; F103-V105 HydrophobicContact CD1-CG2 4.36Å; F103-V105 HydrophobicContact CE1-CG2 3.56Å; F103-V105 HydrophobicContact CZ-CG2 3.83Å
104	S	89.3	Confident	90.5	Very high	40 Å²	40	84.6 Å²	84.6	28%	0.28	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	141.8	174	61.8	0	0	0	0	111.5	R96 I97	R96-S104 PolarHBondContact NE-OG 2.91Å; R96-S104 PolarHBondContact NH2-O 3.16Å; R96-S104 PolarHBondContact NH2-OG 2.94Å; I97-S104 CarbonylContact O-C 3.48Å; I97-S104 WeakPolarHBondContact O-CA 3.41Å
105	V	90.2	Very high	90.9	Very high	54 Å²	54	80 Å²	80	33%	0.327	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126.3	180	-179.5	0	0	0	0	109.1	R96 I97 L99 F103	R96-V105 CarbonylContact C-O 3.51Å; R96-V105 VanDerWaalsContact CA-O 3.3Å; R96-V105 WeakPolarHBondContact CA-O 3.45Å; I97-V105 PolarHBondContact N-O 2.87Å; I97-V105 PolarHBondContact O-N 3.15Å; L99-V105 HydrophobicContact CD1-CG2 3.83Å; F103-V105 HydrophobicContact CD1-CG2 4.36Å; F103-V105 HydrophobicContact CE1-CG2 3.56Å; F103-V105 HydrophobicContact CZ-CG2 3.83Å
106	P	91.6	Very high	91.3	Very high	71 Å²	71	81 Å²	81	46%	0.461	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	140.6	175	28.3	-32.6	0	0	0	110.9	P108	P106-P108 WeakPolarHBondContact O-CD 3.25Å
107	I	92.9	Very high	91.8	Very high	20 Å²	20	80.8 Å²	80.8	10%	0.103	44%	0.438	C	S	.	.			trans	-104.6	108.9	176.5	-55	-58.2	0	0	0	109.5	L90 T95 I97 V111 L193	L90-I107 HydrophobicContact CD2-CB 4.26Å; L90-I107 HydrophobicContact CD2-CG2 3.84Å; T95-I107 HydrophobicContact CG2-CB 4.3Å; T95-I107 PolarHBondContact O-N 2.8Å; I97-I107 HydrophobicContact CD1-CD1 3.5Å; I97-I107 VanDerWaalsContact CD1-CD1 3.5Å; I97-I107 HydrophobicContact CD1-CG1 3.96Å; I97-I107 HydrophobicContact CG1-CD1 3.7Å; I97-I107 HydrophobicContact CG1-CG1 3.68Å; I107-V111 HydrophobicContact CG2-CB 4.06Å; I107-V111 HydrophobicContact CG2-CG1 4.13Å; I107-V111 HydrophobicContact CG2-CG2 4.25Å; I107-L193 HydrophobicContact CG1-CD1 4.42Å; I107-L193 HydrophobicContact CG2-CD1 4.34Å
108	P	93.4	Very high	92.3	Very high	52 Å²	52	83.3 Å²	83.3	34%	0.338	45%	0.45	S	S	.	.			trans	-78.1	150.9	-179	32.3	-35.4	0	0	0	111.4	P106 H110 V111	P106-P108 WeakPolarHBondContact O-CD 3.25Å; P108-H110 WeakPolarHBondContact CB-CE1 3.38Å; P108-H110 WeakPolarHBondContact CB-ND1 3.45Å; P108-H110 WeakPolarHBondContact CG-CE1 3.27Å; P108-H110 WeakPolarHBondContact CG-NE2 3.35Å; P108-H110 PolarHBondContact O-N 3.49Å; P108-V111 HydrophobicContact CG-CG2 3.95Å; P108-V111 WeakPolarHBondContact O-CB 3.26Å; P108-V111 WeakPolarHBondContact O-CG2 3.5Å; P108-V111 PolarHBondContact O-N 2.8Å
109	K	92.9	Very high	92.9	Very high	102 Å²	102	75.7 Å²	75.7	44%	0.443	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-26.4	-179.2	69.4	179.3	-176.6	177.3	0	115.9	Y87 L90 A91 V111 F112	Y87-K109 HydrophobicContact CE2-CB 4.41Å; Y87-K109 HydrophobicContact CE2-CD 4.36Å; L90-K109 HydrophobicContact CB-CB 4.05Å; A91-K109 HydrophobicContact CB-CB 4.35Å; A91-K109 HydrophobicContact CB-CD 3.97Å; K109-V111 PolarHBondContact O-N 2.9Å; K109-F112 WeakPolarHBondContact O-CB 3.44Å; K109-F112 PolarHBondContact O-N 3.36Å; K109-F112 VanDerWaalsContact O-N 3.07Å
110	H	94	Very high	93.6	Very high	132 Å²	132	73.7 Å²	73.7	61%	0.611	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-9.5	178.9	61.4	-106.5	0	0	0	113.3	P108 F112 P113	P108-H110 WeakPolarHBondContact CB-CE1 3.38Å; P108-H110 WeakPolarHBondContact CB-ND1 3.45Å; P108-H110 WeakPolarHBondContact CG-CE1 3.27Å; P108-H110 WeakPolarHBondContact CG-NE2 3.35Å; P108-H110 PolarHBondContact O-N 3.49Å; H110-F112 VanDerWaalsContact C-N 3.28Å; H110-P113 WeakPolarHBondContact O-CD 3.33Å
111	V	95.3	Very high	94.2	Very high	37 Å²	37	74.1 Å²	74.1	22%	0.224	39%	0.394	C	S	.	.	H	α-helix	trans	-73	-23.4	170.9	174.3	0	0	0	0	111.3	I107 P108 K109 V114 L115	I107-V111 HydrophobicContact CG2-CB 4.06Å; I107-V111 HydrophobicContact CG2-CG1 4.13Å; I107-V111 HydrophobicContact CG2-CG2 4.25Å; P108-V111 HydrophobicContact CG-CG2 3.95Å; P108-V111 WeakPolarHBondContact O-CB 3.26Å; P108-V111 WeakPolarHBondContact O-CG2 3.5Å; P108-V111 PolarHBondContact O-N 2.8Å; K109-V111 PolarHBondContact O-N 2.9Å; V111-V114 WeakPolarHBondContact O-CB 3.29Å; V111-V114 PolarHBondContact O-N 3.47Å; V111-V114 VanDerWaalsContact O-N 3.11Å; V111-L115 HydrophobicContact CG1-CD1 3.71Å; V111-L115 HydrophobicContact CG1-CD2 4.38Å; V111-L115 HydrophobicContact CG1-CG 3.72Å; V111-L115 PolarHBondContact O-N 3.14Å
112	F	97.3	Very high	95	Very high	28 Å²	28	71.7 Å²	71.7	12%	0.123	37%	0.371	C	S	.	.	H	α-helix	trans	-55.4	-53.3	-178.5	169.6	-99.8	0	0	0	113.6	C86 Y87 L90 K109 H110 V114 L115 F116	C86-F112 HydrophobicContact CB-CD2 3.79Å; C86-F112 HydrophobicContact CB-CE2 3.71Å; Y87-F112 HydrophobicContact CD2-CB 4.37Å; Y87-F112 AromaticContact CD2-CD1 3.98Å; Y87-F112 HydrophobicContact CD2-CD1 3.98Å; Y87-F112 HydrophobicContact CD2-CG 4.34Å; L90-F112 HydrophobicContact CD1-CB 3.79Å; K109-F112 WeakPolarHBondContact O-CB 3.44Å; K109-F112 PolarHBondContact O-N 3.36Å; K109-F112 VanDerWaalsContact O-N 3.07Å; H110-F112 VanDerWaalsContact C-N 3.28Å; F112-V114 PolarHBondContact O-N 3.41Å; F112-L115 PolarHBondContact O-N 2.99Å; F112-F116 HydrophobicContact CZ-CD2 4.26Å; F112-F116 WeakPolarHBondContact O-CB 3.49Å; F112-F116 PolarHBondContact O-N 2.88Å
113	P	97.9	Very high	95.6	Very high	68 Å²	68	65.3 Å²	65.3	44%	0.442	34%	0.335	S	S	.	.	H	α-helix	trans	-58.7	-34	177.6	-25	35.2	0	0	0	113.2	H110 M117	H110-P113 WeakPolarHBondContact O-CD 3.33Å; P113-M117 WeakPolarHBondContact O-CB 3.32Å; P113-M117 VanDerWaalsContact O-CG 3.25Å; P113-M117 WeakPolarHBondContact O-CG 3.42Å; P113-M117 PolarHBondContact O-N 3.49Å
114	V	97.9	Very high	96.1	Very high	94 Å²	94	60.4 Å²	60.4	57%	0.57	31%	0.314	S	S	*	.	H	α-helix	trans	-67.7	-46	178	-178.2	0	0	0	0	110.7	V111 F112 M117 M118	V111-V114 WeakPolarHBondContact O-CB 3.29Å; V111-V114 PolarHBondContact O-N 3.47Å; V111-V114 VanDerWaalsContact O-N 3.11Å; F112-V114 PolarHBondContact O-N 3.41Å; V114-M117 PolarHBondContact O-N 3.41Å; V114-M118 WeakPolarHBondContact O-CB 3.35Å; V114-M118 PolarHBondContact O-N 3.39Å
115	L	97.9	Very high	96.5	Very high	30 Å²	30	62 Å²	62	16%	0.157	32%	0.316	C	S	.	.	H	α-helix	trans	-65.3	-39.5	176.6	-66.9	176.4	0	0	0	112	V111 F112 M118 G119 L193 V197	V111-L115 HydrophobicContact CG1-CD1 3.71Å; V111-L115 HydrophobicContact CG1-CD2 4.38Å; V111-L115 HydrophobicContact CG1-CG 3.72Å; V111-L115 PolarHBondContact O-N 3.14Å; F112-L115 PolarHBondContact O-N 2.99Å; L115-M118 WeakPolarHBondContact O-CB 3.49Å; L115-M118 PolarHBondContact O-N 2.92Å; L115-G119 PolarHBondContact O-N 3.01Å; L115-L193 HydrophobicContact CD1-CB 4.14Å; L115-L193 HydrophobicContact CD1-CG 3.87Å; L115-V197 HydrophobicContact CB-CG2 4.05Å; L115-V197 HydrophobicContact CD2-CG2 3.96Å
116	F	98.6	Very high	96.9	Very high	41 Å²	41	61.3 Å²	61.3	18%	0.18	31%	0.311	C	S	.	.	H	α-helix	trans	-60.4	-49.9	174	-179.1	-80.8	0	0	0	110.9	F112 M118 G119 W120 V199 G200 C203	F112-F116 HydrophobicContact CZ-CD2 4.26Å; F112-F116 WeakPolarHBondContact O-CB 3.49Å; F112-F116 PolarHBondContact O-N 2.88Å; F116-M118 VanDerWaalsContact C-N 3.31Å; F116-M118 PolarHBondContact O-N 3Å; F116-G119 PolarHBondContact O-N 3.43Å; F116-G119 VanDerWaalsContact O-N 3.15Å; F116-W120 AromaticContact CE1-CE3 3.74Å; F116-W120 HydrophobicContact CE1-CE3 3.74Å; F116-W120 HydrophobicContact CE1-CZ3 4.15Å; F116-W120 HydrophobicContact CZ-CE3 4.09Å; F116-W120 HydrophobicContact CZ-CZ3 4.28Å; F116-W120 PolarHBondContact O-N 3.4Å; F116-V199 HydrophobicContact CD2-CG1 4.02Å; F116-V199 HydrophobicContact CE2-CG1 3.89Å; F116-G200 VanDerWaalsContact O-CA 3.25Å; F116-G200 WeakPolarHBondContact O-CA 3.44Å; F116-C203 HydrophobicContact CE2-CB 4.12Å; F116-C203 HydrophobicContact CZ-CB 3.68Å
117	M	98.6	Very high	97.2	Very high	115 Å²	115	58.1 Å²	58.1	57%	0.567	29%	0.289	S	S	*	.	H	α-helix	trans	-65.2	-35	178.1	-71.3	-56.6	-60.8	0	0	112.5	P113 V114 W120 F121	P113-M117 WeakPolarHBondContact O-CB 3.32Å; P113-M117 VanDerWaalsContact O-CG 3.25Å; P113-M117 WeakPolarHBondContact O-CG 3.42Å; P113-M117 PolarHBondContact O-N 3.49Å; V114-M117 PolarHBondContact O-N 3.41Å; M117-W120 PolarHBondContact O-N 2.91Å; M117-F121 WeakPolarHBondContact O-CB 3.27Å; M117-F121 PolarHBondContact O-N 2.87Å
118	M	98.4	Very high	97.5	Very high	98 Å²	98	57.3 Å²	57.3	48%	0.483	29%	0.285	S	S	.	.	H	α-helix	trans	-60.5	-47.3	171.3	-178.7	65.4	75.4	0	0	110.8	V114 L115 F116 W120 F121 L122	V114-M118 WeakPolarHBondContact O-CB 3.35Å; V114-M118 PolarHBondContact O-N 3.39Å; L115-M118 WeakPolarHBondContact O-CB 3.49Å; L115-M118 PolarHBondContact O-N 2.92Å; F116-M118 VanDerWaalsContact C-N 3.31Å; F116-M118 PolarHBondContact O-N 3Å; M118-W120 VanDerWaalsContact C-N 3.34Å; M118-W120 PolarHBondContact O-N 3.34Å; M118-F121 PolarHBondContact O-N 3.23Å; M118-L122 HydrophobicContact CG-CD1 4.1Å; M118-L122 HydrophobicContact CG-CG 4.45Å; M118-L122 WeakPolarHBondContact O-CB 3.36Å; M118-L122 VanDerWaalsContact O-CG 3.26Å; M118-L122 WeakPolarHBondContact O-CG 3.21Å; M118-L122 PolarHBondContact O-N 2.89Å; M118-L122 HydrophobicContact SD-CG 4.45Å
119	G	98.6	Very high	97.7	Very high	2 Å²	2	56.4 Å²	56.4	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-57.6	-45.3	175.3	0	0	0	0	0	113.1	L115 F116 L122 W123 V197 G201	L115-G119 PolarHBondContact O-N 3.01Å; F116-G119 PolarHBondContact O-N 3.43Å; F116-G119 VanDerWaalsContact O-N 3.15Å; G119-L122 PolarHBondContact O-N 3.27Å; G119-W123 PolarHBondContact O-N 2.92Å; G119-V197 VanDerWaalsContact CA-O 3.25Å; G119-V197 WeakPolarHBondContact CA-O 3.38Å; G119-G201 VanDerWaalsContact C-N 3.33Å; G119-G201 VanDerWaalsContact O-CA 3.25Å; G119-G201 WeakPolarHBondContact O-CA 3.45Å
120	W	98.7	Very high	97.9	Very high	73 Å²	73	53.4 Å²	53.4	28%	0.277	27%	0.268	S	S	.	.	H	α-helix	trans	-61.9	-46.2	175.8	-169	-60.4	0	0	0	112	F116 M117 M118 L122 W123 T124 C203 V207	F116-W120 AromaticContact CE1-CE3 3.74Å; F116-W120 HydrophobicContact CE1-CE3 3.74Å; F116-W120 HydrophobicContact CE1-CZ3 4.15Å; F116-W120 HydrophobicContact CZ-CE3 4.09Å; F116-W120 HydrophobicContact CZ-CZ3 4.28Å; F116-W120 PolarHBondContact O-N 3.4Å; M117-W120 PolarHBondContact O-N 2.91Å; M118-W120 VanDerWaalsContact C-N 3.34Å; M118-W120 PolarHBondContact O-N 3.34Å; W120-L122 PolarHBondContact O-N 2.75Å; W120-W123 WeakPolarHBondContact O-CB 3.13Å; W120-W123 PolarHBondContact O-N 3.4Å; W120-W123 VanDerWaalsContact O-N 3.16Å; W120-T124 PolarHBondContact O-N 2.99Å; W120-C203 HydrophobicContact CE3-CB 3.99Å; W120-C203 HydrophobicContact CZ3-CB 3.9Å; W120-C203 WeakPolarHBondContact CZ3-SG 3.47Å; W120-V207 HydrophobicContact CH2-CB 4.01Å; W120-V207 HydrophobicContact CH2-CG1 4.41Å; W120-V207 HydrophobicContact CH2-CG2 3.4Å; W120-V207 VanDerWaalsContact CH2-CG2 3.4Å; W120-V207 HydrophobicContact CZ2-CB 3.79Å; W120-V207 HydrophobicContact CZ2-CG1 3.89Å; W120-V207 HydrophobicContact CZ2-CG2 3.72Å; W120-V207 HydrophobicContact CZ3-CG2 4.37Å
121	F	98.6	Very high	98.1	Very high	96 Å²	96	47.1 Å²	47.1	42%	0.421	24%	0.239	S	C	.	.	H	α-helix	trans	-61.7	-44.6	177.5	177.9	-103.9	0	0	0	111.3	M117 M118 W123 T124 F125 F251 W252	M117-F121 WeakPolarHBondContact O-CB 3.27Å; M117-F121 PolarHBondContact O-N 2.87Å; M118-F121 PolarHBondContact O-N 3.23Å; F121-W123 VanDerWaalsContact C-N 3.26Å; F121-W123 PolarHBondContact O-N 3.09Å; F121-T124 PolarHBondContact O-N 2.95Å; F121-T124 VanDerWaalsContact O-N 3.08Å; F121-T124 PolarHBondContact O-OG1 2.8Å; F121-F125 PolarHBondContact O-N 2.74Å; F121-F251 HydrophobicContact CE2-CE1 4.33Å; F121-F251 HydrophobicContact CZ-CE1 4.29Å; F121-W252 HydrophobicContact CE1-CH2 4.32Å; F121-W252 AromaticContact CE1-CZ2 3.96Å; F121-W252 HydrophobicContact CE1-CZ2 3.96Å; F121-W252 HydrophobicContact CE2-CZ2 4.08Å; F121-W252 AromaticContact CZ-CH2 3.95Å; F121-W252 HydrophobicContact CZ-CH2 3.95Å; F121-W252 AromaticContact CZ-CZ2 3.51Å; F121-W252 HydrophobicContact CZ-CZ2 3.51Å
122	L	98.2	Very high	98.3	Very high	73 Å²	73	48.7 Å²	48.7	38%	0.382	24%	0.241	S	C	.	.	H	α-helix	trans	-59.4	-37.3	173.7	-71.9	172.3	0	0	0	112	M118 G119 W120 T124 F125 I126 V197	M118-L122 HydrophobicContact CG-CD1 4.1Å; M118-L122 HydrophobicContact CG-CG 4.45Å; M118-L122 WeakPolarHBondContact O-CB 3.36Å; M118-L122 VanDerWaalsContact O-CG 3.26Å; M118-L122 WeakPolarHBondContact O-CG 3.21Å; M118-L122 PolarHBondContact O-N 2.89Å; M118-L122 HydrophobicContact SD-CG 4.45Å; G119-L122 PolarHBondContact O-N 3.27Å; W120-L122 PolarHBondContact O-N 2.75Å; L122-T124 VanDerWaalsContact C-N 3.33Å; L122-T124 PolarHBondContact O-N 2.98Å; L122-F125 WeakPolarHBondContact O-CB 3.46Å; L122-F125 PolarHBondContact O-N 2.68Å; L122-F125 VanDerWaalsContact O-N 3.15Å; L122-I126 WeakPolarHBondContact O-CG1 3.41Å; L122-I126 PolarHBondContact O-N 2.81Å; L122-V197 HydrophobicContact CD1-CG1 4.05Å
123	W	98.6	Very high	98.3	Very high	29 Å²	29	53.2 Å²	53.2	11%	0.11	26%	0.261	C	S	.	.	H	α-helix	trans	-57.8	-44.2	173.3	168.8	-94.3	0	0	0	111.9	G119 W120 F121 F125 I126 E127 G204 Y205 Y208	G119-W123 PolarHBondContact O-N 2.92Å; W120-W123 WeakPolarHBondContact O-CB 3.13Å; W120-W123 PolarHBondContact O-N 3.4Å; W120-W123 VanDerWaalsContact O-N 3.16Å; F121-W123 VanDerWaalsContact C-N 3.26Å; F121-W123 PolarHBondContact O-N 3.09Å; W123-F125 PolarHBondContact O-N 3.19Å; W123-F125 VanDerWaalsContact O-N 3.16Å; W123-I126 HydrophobicContact CE3-CB 4.36Å; W123-I126 HydrophobicContact CE3-CG2 4.15Å; W123-I126 HydrophobicContact CZ3-CG2 4Å; W123-I126 CarbonylContact O-C 3.58Å; W123-I126 PolarHBondContact O-N 2.73Å; W123-E127 HydrophobicContact CZ2-CB 4.23Å; W123-E127 WeakPolarHBondContact O-CB 3.44Å; W123-E127 PolarHBondContact O-N 3.45Å; W123-G204 PolarHBondContact NE1-O 3.46Å; W123-Y205 AromaticContact CH2-CD2 3.48Å; W123-Y205 HydrophobicContact CH2-CD2 3.48Å; W123-Y205 VanDerWaalsContact CH2-CD2 3.48Å; W123-Y205 AromaticContact CH2-CG 3.95Å; W123-Y205 HydrophobicContact CH2-CG 3.95Å; W123-Y205 AromaticContact CZ2-CD2 3.65Å; W123-Y205 HydrophobicContact CZ2-CD2 3.65Å; W123-Y205 HydrophobicContact CZ2-CG 4.16Å; W123-Y205 HydrophobicContact CZ3-CD2 4.25Å; W123-Y205 HydrophobicContact CZ3-CG 4.31Å; W123-Y208 AromaticContact CZ2-CD1 3.63Å; W123-Y208 HydrophobicContact CZ2-CD1 3.63Å; W123-Y208 HydrophobicContact CZ2-CE1 4.31Å; W123-Y208 AromaticContact CZ2-CG 3.82Å; W123-Y208 HydrophobicContact CZ2-CG 3.82Å; W123-Y208 VanDerWaalsContact NE1-CB 3.29Å; W123-Y208 AromaticContact NE1-CG 3.95Å
124	T	98.6	Very high	98.2	Very high	14 Å²	14	52.9 Å²	52.9	9%	0.086	26%	0.257	C	S	.	.	H	α-helix	trans	-59.5	-30.7	178.7	70.1	0	0	0	0	112.7	W120 F121 L122 Y128 W252	W120-T124 PolarHBondContact O-N 2.99Å; F121-T124 PolarHBondContact O-N 2.95Å; F121-T124 VanDerWaalsContact O-N 3.08Å; F121-T124 PolarHBondContact O-OG1 2.8Å; L122-T124 VanDerWaalsContact C-N 3.33Å; L122-T124 PolarHBondContact O-N 2.98Å; T124-Y128 PolarHBondContact O-N 3.33Å; T124-W252 PolarHBondContact OG1-NE1 3.14Å
125	F	98.6	Very high	98.2	Very high	73 Å²	73	49.4 Å²	49.4	32%	0.32	24%	0.235	S	C	.	.	H	α-helix	trans	-75.7	-40.9	174.1	-178.6	-113.5	0	0	0	112.2	F121 L122 W123 Y128 C129 W252 F256	F121-F125 PolarHBondContact O-N 2.74Å; L122-F125 WeakPolarHBondContact O-CB 3.46Å; L122-F125 PolarHBondContact O-N 2.68Å; L122-F125 VanDerWaalsContact O-N 3.15Å; W123-F125 PolarHBondContact O-N 3.19Å; W123-F125 VanDerWaalsContact O-N 3.16Å; F125-Y128 WeakPolarHBondContact O-CB 3.41Å; F125-Y128 PolarHBondContact O-N 2.84Å; F125-C129 VanDerWaalsContact CZ-SG 3.6Å; F125-C129 PolarHBondContact O-N 3.27Å; F125-C129 PolarHBondContact O-SG 3Å; F125-W252 HydrophobicContact CB-CD2 4.38Å; F125-W252 HydrophobicContact CB-CH2 4.35Å; F125-W252 HydrophobicContact CB-CZ2 3.65Å; F125-W252 AromaticContact CD2-CD2 3.67Å; F125-W252 HydrophobicContact CD2-CD2 3.67Å; F125-W252 AromaticContact CD2-CE2 3.77Å; F125-W252 AromaticContact CD2-CE3 3.69Å; F125-W252 HydrophobicContact CD2-CE3 3.69Å; F125-W252 HydrophobicContact CD2-CG 4.33Å; F125-W252 AromaticContact CD2-CH2 3.88Å; F125-W252 HydrophobicContact CD2-CH2 3.88Å; F125-W252 AromaticContact CD2-CZ2 3.89Å; F125-W252 HydrophobicContact CD2-CZ2 3.89Å; F125-W252 AromaticContact CD2-CZ3 3.79Å; F125-W252 HydrophobicContact CD2-CZ3 3.79Å; F125-W252 HydrophobicContact CE2-CE3 4.19Å; F125-W252 HydrophobicContact CE2-CZ3 4.21Å; F125-W252 HydrophobicContact CG-CH2 4.33Å; F125-W252 HydrophobicContact CG-CZ2 4.09Å; F125-F256 HydrophobicContact CD2-CE2 4.49Å; F125-F256 AromaticContact CE2-CE2 3.8Å; F125-F256 HydrophobicContact CE2-CE2 3.8Å; F125-F256 AromaticContact CE2-CZ 3.92Å; F125-F256 HydrophobicContact CE2-CZ 3.92Å
126	I	98.1	Very high	98.1	Very high	40 Å²	40	49.5 Å²	49.5	21%	0.205	23%	0.234	C	C	.	.	H	α-helix	trans	-62.7	-44.3	175.4	-69.4	166.1	0	0	0	110.4	L122 W123 Y128 C129 I130 F181	L122-I126 WeakPolarHBondContact O-CG1 3.41Å; L122-I126 PolarHBondContact O-N 2.81Å; W123-I126 HydrophobicContact CE3-CB 4.36Å; W123-I126 HydrophobicContact CE3-CG2 4.15Å; W123-I126 HydrophobicContact CZ3-CG2 4Å; W123-I126 CarbonylContact O-C 3.58Å; W123-I126 PolarHBondContact O-N 2.73Å; I126-Y128 PolarHBondContact O-N 3.24Å; I126-C129 PolarHBondContact O-N 3.22Å; I126-I130 HydrophobicContact CG2-CD1 3.53Å; I126-I130 HydrophobicContact CG2-CG1 4.09Å; I126-I130 WeakPolarHBondContact O-CB 3.37Å; I126-I130 WeakPolarHBondContact O-CG1 3.37Å; I126-I130 PolarHBondContact O-N 3.22Å; I126-F181 HydrophobicContact CD1-CD1 4.4Å; I126-F181 HydrophobicContact CD1-CE1 3.82Å; I126-F181 HydrophobicContact CD1-CZ 4.07Å; I126-F181 HydrophobicContact CG1-CE1 4.48Å; I126-F181 HydrophobicContact CG1-CZ 4.44Å; I126-F181 HydrophobicContact CG2-CE2 4.23Å; I126-F181 HydrophobicContact CG2-CZ 3.83Å
127	E	98.2	Very high	98	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.019	24%	0.236	C	C	.	.	H	α-helix	trans	-49.7	-56.6	171.4	171.2	-169.9	145.7	0	0	110.4	W123 C129 I130 H131 Y208 I247 T248	W123-E127 HydrophobicContact CZ2-CB 4.23Å; W123-E127 WeakPolarHBondContact O-CB 3.44Å; W123-E127 PolarHBondContact O-N 3.45Å; E127-C129 VanDerWaalsContact C-N 3.3Å; E127-C129 PolarHBondContact O-N 2.95Å; E127-I130 PolarHBondContact O-N 3.29Å; E127-H131 VanDerWaalsContact O-CB 3.27Å; E127-H131 WeakPolarHBondContact O-CB 3.08Å; E127-H131 PolarHBondContact O-N 3.05Å; E127-Y208 HydrophobicContact CB-CD2 4.47Å; E127-Y208 HydrophobicContact CG-CD2 3.48Å; E127-Y208 VanDerWaalsContact CG-CD2 3.48Å; E127-Y208 HydrophobicContact CG-CE2 3.56Å; E127-Y208 HydrophobicContact CG-CG 4.32Å; E127-Y208 WeakPolarHBondContact OE2-CD2 3.27Å; E127-I247 WeakPolarHBondContact OE1-CA 3.41Å; E127-I247 WeakPolarHBondContact OE1-CB 3.42Å; E127-I247 PolarHBondContact OE1-N 2.7Å; E127-T248 VanDerWaalsContact CD-OG1 3.3Å; E127-T248 PolarHBondContact OE1-N 3.29Å; E127-T248 PolarHBondContact OE1-OG1 3.27Å; E127-T248 WeakPolarHBondContact OE2-CB 3.22Å; E127-T248 WeakPolarHBondContact OE2-CG2 3.02Å; E127-T248 PolarHBondContact OE2-OG1 3Å
128	Y	98.7	Very high	97.9	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.008	24%	0.24	C	C	.	.	H	α-helix	trans	-55.4	-45.6	178.1	176.3	-93.4	0	0	0	112	T124 F125 I126 R132 F245 W252 D253 F256 T258	T124-Y128 PolarHBondContact O-N 3.33Å; F125-Y128 WeakPolarHBondContact O-CB 3.41Å; F125-Y128 PolarHBondContact O-N 2.84Å; I126-Y128 PolarHBondContact O-N 3.24Å; Y128-R132 WeakPolarHBondContact O-CB 3.28Å; Y128-R132 PolarHBondContact O-N 2.83Å; Y128-R132 WeakPolarHBondContact OH-CD 3.35Å; Y128-R132 PolarHBondContact OH-NH1 2.86Å; Y128-F245 HydrophobicContact CD2-CB 3.85Å; Y128-F245 HydrophobicContact CE2-CB 3.81Å; Y128-F245 HydrophobicContact CE2-CD2 4.14Å; Y128-F245 HydrophobicContact CE2-CG 4.45Å; Y128-W252 HydrophobicContact CD1-CB 4.09Å; Y128-W252 HydrophobicContact CD2-CB 3.52Å; Y128-W252 HydrophobicContact CE2-CB 4.1Å; Y128-W252 HydrophobicContact CG-CB 3.51Å; Y128-W252 HydrophobicContact CG-CG 4.31Å; Y128-D253 WeakPolarHBondContact CE2-OD1 3.44Å; Y128-F256 HydrophobicContact CD1-CD2 4.07Å; Y128-F256 HydrophobicContact CD1-CE2 4.29Å; Y128-F256 HydrophobicContact CE1-CB 4.26Å; Y128-F256 AromaticContact CE1-CD2 3.36Å; Y128-F256 HydrophobicContact CE1-CD2 3.36Å; Y128-F256 AromaticContact CE1-CE2 3.93Å; Y128-F256 HydrophobicContact CE1-CE2 3.93Å; Y128-F256 AromaticContact CE1-CG 3.96Å; Y128-F256 HydrophobicContact CE1-CG 3.96Å; Y128-F256 AromaticContact CZ-CD2 3.66Å; Y128-F256 WeakPolarHBondContact OH-CB 3.34Å; Y128-T258 WeakPolarHBondContact CE2-OG1 3.14Å; Y128-T258 PolarHBondContact OH-OG1 2.75Å
129	C	98.4	Very high	97.7	Very high	33 Å²	33	47.3 Å²	47.3	22%	0.223	22%	0.221	C	C	.	.	H	α-helix	trans	-67.1	-45.2	-178.9	-68.5	0	0	0	0	112.7	F125 I126 E127 F133	F125-C129 VanDerWaalsContact CZ-SG 3.6Å; F125-C129 PolarHBondContact O-N 3.27Å; F125-C129 PolarHBondContact O-SG 3Å; I126-C129 PolarHBondContact O-N 3.22Å; E127-C129 VanDerWaalsContact C-N 3.3Å; E127-C129 PolarHBondContact O-N 2.95Å; C129-F133 HydrophobicContact CB-CD2 4.2Å; C129-F133 WeakPolarHBondContact O-CB 3.39Å; C129-F133 VanDerWaalsContact O-CD2 3.31Å; C129-F133 WeakPolarHBondContact O-CD2 3.46Å; C129-F133 PolarHBondContact O-N 2.96Å
130	I	97.6	Very high	97.7	Very high	39 Å²	39	49.9 Å²	49.9	20%	0.2	24%	0.238	C	C	.	.	I	π-helix	trans	-63.4	-47.4	177.4	-68.9	174.2	0	0	0	108.9	I126 E127 R132 V134 F135	I126-I130 HydrophobicContact CG2-CD1 3.53Å; I126-I130 HydrophobicContact CG2-CG1 4.09Å; I126-I130 WeakPolarHBondContact O-CB 3.37Å; I126-I130 WeakPolarHBondContact O-CG1 3.37Å; I126-I130 PolarHBondContact O-N 3.22Å; E127-I130 PolarHBondContact O-N 3.29Å; I130-R132 PolarHBondContact O-N 3.42Å; I130-V134 HydrophobicContact CG2-CB 4.29Å; I130-V134 CarbonylContact O-C 3.54Å; I130-V134 WeakPolarHBondContact O-CA 3.4Å; I130-V134 VanDerWaalsContact O-CB 3.28Å; I130-V134 WeakPolarHBondContact O-CB 3.35Å; I130-V134 PolarHBondContact O-N 3.34Å; I130-F135 HydrophobicContact CG2-CD1 3.94Å; I130-F135 HydrophobicContact CG2-CD2 4.07Å; I130-F135 HydrophobicContact CG2-CE1 3.63Å; I130-F135 HydrophobicContact CG2-CE2 3.76Å; I130-F135 HydrophobicContact CG2-CG 4.15Å; I130-F135 HydrophobicContact CG2-CZ 3.53Å; I130-F135 PolarHBondContact O-N 3.08Å
131	H	98.3	Very high	97.6	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	24%	0.239	C	C	.	.	I	π-helix	trans	-61.5	-47.8	-178.3	-164.6	-169.6	0	0	0	110.9	E127 F135 H136 H154 H236 F245	E127-H131 VanDerWaalsContact O-CB 3.27Å; E127-H131 WeakPolarHBondContact O-CB 3.08Å; E127-H131 PolarHBondContact O-N 3.05Å; H131-F135 HydrophobicContact CB-CD2 4.47Å; H131-F135 WeakPolarHBondContact O-CB 3.3Å; H131-H136 AromaticContact CD2-CD2 3.45Å; H131-H136 PolarHBondContact CD2-CD2 2.9Å; H131-H136 VanDerWaalsContact CD2-CD2 3.45Å; H131-H136 AromaticContact CD2-NE2 3.77Å; H131-H136 AromaticContact NE2-CD2 3.51Å; H131-H136 AromaticContact NE2-NE2 3.33Å; H131-H136 PolarHBondContact NE2-NE2 2.92Å; H131-H136 PolarHBondContact O-CD2 3.3Å; H131-H136 VanDerWaalsContact O-CD2 3.29Å; H131-H136 PolarHBondContact O-N 3.4Å; H131-H154 AromaticContact CD2-CE1 3.97Å; H131-H154 AromaticContact CD2-NE2 3.6Å; H131-H154 AromaticContact NE2-CE1 3.75Å; H131-H154 AromaticContact NE2-NE2 3.29Å; H131-H154 PolarHBondContact NE2-NE2 3.45Å; H131-H236 AromaticContact CE1-CD2 3.96Å; H131-H236 AromaticContact CE1-NE2 3.49Å; H131-H236 PolarHBondContact CE1-NE2 3.14Å; H131-H236 AromaticContact NE2-CE1 3.93Å; H131-H236 AromaticContact NE2-NE2 3.29Å; H131-H236 PolarHBondContact NE2-NE2 3.42Å; H131-F245 HydrophobicContact CB-CB 4.38Å; H131-F245 PolarHBondContact ND1-O 3.09Å
132	R	98.1	Very high	97.5	Very high	70 Å²	70	50.5 Å²	50.5	26%	0.264	25%	0.251	S	S	.	.	I	π-helix	trans	-71	-49.4	-179.1	-177	173.7	-179.5	-173	2.3	114.4	Y128 I130 H136 F245	Y128-R132 WeakPolarHBondContact O-CB 3.28Å; Y128-R132 PolarHBondContact O-N 2.83Å; Y128-R132 WeakPolarHBondContact OH-CD 3.35Å; Y128-R132 PolarHBondContact OH-NH1 2.86Å; I130-R132 PolarHBondContact O-N 3.42Å; R132-H136 WeakPolarHBondContact O-CB 3.42Å; R132-F245 HydrophobicContact CB-CB 4.15Å; R132-F245 HydrophobicContact CB-CD1 3.92Å; R132-F245 HydrophobicContact CB-CD2 3.9Å; R132-F245 HydrophobicContact CB-CE1 4.28Å; R132-F245 HydrophobicContact CB-CE2 4.27Å; R132-F245 HydrophobicContact CB-CG 3.71Å; R132-F245 HydrophobicContact CB-CZ 4.43Å; R132-F245 HydrophobicContact CG-CD1 4.31Å; R132-F245 HydrophobicContact CG-CD2 3.81Å; R132-F245 HydrophobicContact CG-CE1 4.22Å; R132-F245 HydrophobicContact CG-CE2 3.72Å; R132-F245 HydrophobicContact CG-CG 4.1Å; R132-F245 HydrophobicContact CG-CZ 3.92Å
133	F	97.7	Very high	97.4	Very high	123 Å²	123	49.8 Å²	49.8	54%	0.539	25%	0.247	S	C	.	.	I	π-helix	trans	-98.7	-22.7	-166.4	-59.5	-66.7	0	0	0	113.8	C129 M137	C129-F133 HydrophobicContact CB-CD2 4.2Å; C129-F133 WeakPolarHBondContact O-CB 3.39Å; C129-F133 VanDerWaalsContact O-CD2 3.31Å; C129-F133 WeakPolarHBondContact O-CD2 3.46Å; C129-F133 PolarHBondContact O-N 2.96Å; F133-M137 WeakPolarHBondContact O-CB 3.47Å
134	V	96.8	Very high	97.4	Very high	61 Å²	61	50.8 Å²	50.8	37%	0.37	25%	0.251	S	S	.	.	I	π-helix	trans	-105.9	-51	-179.5	-175.9	0	0	0	0	110.6	I130 M137 L153	I130-V134 HydrophobicContact CG2-CB 4.29Å; I130-V134 CarbonylContact O-C 3.54Å; I130-V134 WeakPolarHBondContact O-CA 3.4Å; I130-V134 VanDerWaalsContact O-CB 3.28Å; I130-V134 WeakPolarHBondContact O-CB 3.35Å; I130-V134 PolarHBondContact O-N 3.34Å; V134-M137 VanDerWaalsContact O-CG 3.3Å; V134-M137 WeakPolarHBondContact O-CG 3.3Å; V134-L153 HydrophobicContact CG1-CD1 4.3Å
135	F	97.2	Very high	97.4	Very high	21 Å²	21	58.4 Å²	58.4	9%	0.092	28%	0.28	C	S	.	.	I	π-helix	trans	-78.5	-25.7	-176.6	-71.3	-5	0	0	0	113.4	I130 H131 H150 L153 H154	I130-F135 HydrophobicContact CG2-CD1 3.94Å; I130-F135 HydrophobicContact CG2-CD2 4.07Å; I130-F135 HydrophobicContact CG2-CE1 3.63Å; I130-F135 HydrophobicContact CG2-CE2 3.76Å; I130-F135 HydrophobicContact CG2-CG 4.15Å; I130-F135 HydrophobicContact CG2-CZ 3.53Å; I130-F135 PolarHBondContact O-N 3.08Å; H131-F135 HydrophobicContact CB-CD2 4.47Å; H131-F135 WeakPolarHBondContact O-CB 3.3Å; F135-H150 PolarHBondContact O-NE2 2.97Å; F135-L153 HydrophobicContact CD1-CB 4.4Å; F135-L153 HydrophobicContact CE1-CB 4.42Å; F135-H154 HydrophobicContact CB-CB 3.6Å; F135-H154 VanDerWaalsContact CB-CG 3.48Å; F135-H154 HydrophobicContact CD1-CB 3.98Å; F135-H154 HydrophobicContact CD2-CB 4.35Å; F135-H154 AromaticContact CD2-CE1 3.98Å; F135-H154 AromaticContact CD2-CG 3.98Å; F135-H154 AromaticContact CD2-ND1 3.64Å; F135-H154 HydrophobicContact CG-CB 3.73Å; F135-H154 AromaticContact CG-CG 3.75Å; F135-H154 AromaticContact CG-ND1 3.9Å; F135-H154 PolarHBondContact O-CD2 3.41Å
136	H	96.8	Very high	97.4	Very high	31 Å²	31	57.3 Å²	57.3	14%	0.144	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	25.5	172.4	-79.5	-79.6	0	0	0	113.1	H45 H131 R132 H154 H158 H236 Q241 F245	H45-H136 AromaticContact NE2-CE1 3.99Å; H45-H136 AromaticContact NE2-ND1 3.87Å; H131-H136 AromaticContact CD2-CD2 3.45Å; H131-H136 PolarHBondContact CD2-CD2 2.9Å; H131-H136 VanDerWaalsContact CD2-CD2 3.45Å; H131-H136 AromaticContact CD2-NE2 3.77Å; H131-H136 AromaticContact NE2-CD2 3.51Å; H131-H136 AromaticContact NE2-NE2 3.33Å; H131-H136 PolarHBondContact NE2-NE2 2.92Å; H131-H136 PolarHBondContact O-CD2 3.3Å; H131-H136 VanDerWaalsContact O-CD2 3.29Å; H131-H136 PolarHBondContact O-N 3.4Å; R132-H136 WeakPolarHBondContact O-CB 3.42Å; H136-H154 AromaticContact NE2-CD2 3.84Å; H136-H154 AromaticContact NE2-NE2 3.59Å; H136-H158 AromaticContact CE1-CD2 3.95Å; H136-H158 AromaticContact CE1-CE1 3.43Å; H136-H158 PolarHBondContact CE1-CE1 3Å; H136-H158 VanDerWaalsContact CE1-CE1 3.43Å; H136-H158 AromaticContact CE1-NE2 3.23Å; H136-H158 PolarHBondContact CE1-NE2 3.44Å; H136-H158 AromaticContact NE2-CE1 3.68Å; H136-H158 AromaticContact NE2-NE2 3.14Å; H136-H158 PolarHBondContact NE2-NE2 3.45Å; H136-H158 VanDerWaalsContact NE2-NE2 3.14Å; H136-H236 AromaticContact CD2-CE1 3.86Å; H136-H236 AromaticContact CD2-NE2 3.97Å; H136-H236 AromaticContact CE1-CE1 3.5Å; H136-H236 PolarHBondContact CE1-CE1 3.14Å; H136-H236 VanDerWaalsContact CE1-CE1 3.5Å; H136-H236 AromaticContact CE1-NE2 3.52Å; H136-H236 AromaticContact NE2-CE1 3.1Å; H136-H236 PolarHBondContact NE2-CE1 3.35Å; H136-H236 AromaticContact NE2-NE2 2.95Å; H136-H236 PolarHBondContact NE2-NE2 3.38Å; H136-Q241 PolarHBondContact CE1-O 3.23Å; H136-Q241 PolarHBondContact ND1-O 3.27Å; H136-F245 HydrophobicContact CB-CE1 3.9Å; H136-F245 AromaticContact CD2-CD1 3.93Å; H136-F245 AromaticContact CD2-CE1 3.8Å; H136-F245 AromaticContact CG-CE1 3.81Å
137	M	95.6	Very high	97.4	Very high	44 Å²	44	55.4 Å²	55.4	22%	0.217	27%	0.267	C	S	.	.			trans	-63.3	143.2	171	69.9	176.3	147.5	0	0	110.2	F133 V134 P139 L146 H150 L153	F133-M137 WeakPolarHBondContact O-CB 3.47Å; V134-M137 VanDerWaalsContact O-CG 3.3Å; V134-M137 WeakPolarHBondContact O-CG 3.3Å; M137-P139 WeakPolarHBondContact O-CD 3.23Å; M137-L146 HydrophobicContact CE-CD1 4Å; M137-L146 HydrophobicContact SD-CD1 3.97Å; M137-L146 HydrophobicContact SD-CG 4.5Å; M137-H150 HydrophobicContact CE-CB 3.94Å; M137-H150 PolarHBondContact O-CD2 3.47Å; M137-H150 PolarHBondContact O-NE2 2.87Å; M137-L153 HydrophobicContact CE-CD1 4.36Å
138	K	95.4	Very high	97.4	Very high	152 Å²	152	55.5 Å²	55.5	66%	0.661	27%	0.268	S	S	*	.			trans	-94.6	96.6	171.4	-172.8	163.8	-179.9	145.6	0	109.6	D41	D41-K138 WeakPolarHBondContact OD2-CE 3.5Å; D41-K138 IonicContact OD2-NZ 2.73Å; D41-K138 PolarHBondContact OD2-NZ 3.18Å
139	P	96.1	Very high	97.3	Very high	13 Å²	13	59.3 Å²	59.3	8%	0.084	29%	0.288	C	S	.	.			trans	-63.3	140.9	-178.9	28	-36.4	0	0	0	110.5	Y40 M137 A141 L146 I147 H150	Y40-P139 HydrophobicContact CD1-CG 3.84Å; Y40-P139 HydrophobicContact CE1-CG 3.77Å; M137-P139 WeakPolarHBondContact O-CD 3.23Å; P139-A141 PolarHBondContact O-N 3.18Å; P139-L146 HydrophobicContact CB-CB 4.36Å; P139-L146 HydrophobicContact CB-CD2 4.41Å; P139-L146 HydrophobicContact CB-CG 3.96Å; P139-I147 HydrophobicContact CB-CG1 3.85Å; P139-I147 HydrophobicContact CG-CB 4.44Å; P139-I147 HydrophobicContact CG-CG1 3.78Å; P139-H150 HydrophobicContact CG-CB 4.3Å
140	P	96.9	Very high	97.3	Very high	56 Å²	56	57.9 Å²	57.9	36%	0.364	28%	0.278	S	S	.	.			trans	-61.4	133.6	175.3	-21.1	33.6	0	0	0	111.2	H142 N143	P140-H142 WeakPolarHBondContact CB-CE1 3.17Å; P140-H142 PolarHBondContact O-N 2.95Å; P140-N143 PolarHBondContact O-N 3.29Å
141	A	96.3	Very high	97.3	Very high	36 Å²	36	56 Å²	56	30%	0.298	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.1	-174.9	0	0	0	0	0	114.8	R37 E38 P139	R37-A141 WeakPolarHBondContact CA-O 3.43Å; R37-A141 HydrophobicContact CB-CB 4.36Å; R37-A141 VanDerWaalsContact CB-O 3.28Å; R37-A141 WeakPolarHBondContact CB-O 3.46Å; R37-A141 WeakPolarHBondContact CG-O 3.41Å; E38-A141 HydrophobicContact CB-CB 4.38Å; E38-A141 HydrophobicContact CG-CB 3.64Å; P139-A141 PolarHBondContact O-N 3.18Å
142	H	96.4	Very high	97.2	Very high	146 Å²	146	58.4 Å²	58.4	68%	0.676	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-17.8	177.5	62.2	-92.4	0	0	0	113.3	P140 Y144	P140-H142 WeakPolarHBondContact CB-CE1 3.17Å; P140-H142 PolarHBondContact O-N 2.95Å; H142-Y144 PolarHBondContact O-N 2.84Å
143	N	97.9	Very high	97.1	Very high	58 Å²	58	57.1 Å²	57.1	31%	0.31	28%	0.279	S	S	.	.			trans	-96.2	90.2	-174.2	-169.9	-23	0	0	0	111.7	P140 Y145 L146 I147	P140-N143 PolarHBondContact O-N 3.29Å; N143-Y145 VanDerWaalsContact C-N 3.34Å; N143-Y145 PolarHBondContact O-N 3.21Å; N143-Y145 PolarHBondContact OD1-N 3.05Å; N143-L146 HydrophobicContact CB-CB 4.12Å; N143-L146 VanDerWaalsContact CG-CB 3.49Å; N143-L146 PolarHBondContact O-N 3.26Å; N143-L146 PolarHBondContact OD1-N 3.29Å; N143-I147 WeakPolarHBondContact O-CG1 3.23Å; N143-I147 PolarHBondContact O-N 3.32Å
144	Y	98.1	Very high	97	Very high	49 Å²	49	51.6 Å²	51.6	19%	0.192	26%	0.255	C	S	.	.	H	α-helix	trans	-51	-48.6	177.8	174.3	-84.1	0	0	0	113	W31 G34 H142 L146 I147 T148	W31-Y144 WeakPolarHBondContact CA-OH 3.32Å; W31-Y144 HydrophobicContact CE3-CE1 4.33Å; W31-Y144 PolarHBondContact O-OH 3.15Å; G34-Y144 WeakPolarHBondContact O-CD2 3.48Å; H142-Y144 PolarHBondContact O-N 2.84Å; Y144-L146 PolarHBondContact O-N 2.87Å; Y144-I147 PolarHBondContact O-N 3.45Å; Y144-T148 PolarHBondContact O-N 2.89Å; Y144-T148 PolarHBondContact O-OG1 3.06Å
145	Y	98.2	Very high	97.1	Very high	175 Å²	175	48.7 Å²	48.7	69%	0.686	24%	0.238	S	C	*	.	H	α-helix	trans	-70.5	-36.1	-172.9	-64.8	-68.4	0	0	0	112.4	N143 T148 L149	N143-Y145 VanDerWaalsContact C-N 3.34Å; N143-Y145 PolarHBondContact O-N 3.21Å; N143-Y145 PolarHBondContact OD1-N 3.05Å; Y145-T148 PolarHBondContact O-N 2.84Å; Y145-L149 WeakPolarHBondContact O-CB 3.44Å; Y145-L149 PolarHBondContact O-N 2.67Å
146	L	97.6	Very high	97.1	Very high	49 Å²	49	48.8 Å²	48.8	26%	0.257	24%	0.238	S	C	.	.	H	α-helix	trans	-71.1	-34.4	177.7	-170.6	55.3	0	0	0	111.8	M137 P139 N143 Y144 L149 H150	M137-L146 HydrophobicContact CE-CD1 4Å; M137-L146 HydrophobicContact SD-CD1 3.97Å; M137-L146 HydrophobicContact SD-CG 4.5Å; P139-L146 HydrophobicContact CB-CB 4.36Å; P139-L146 HydrophobicContact CB-CD2 4.41Å; P139-L146 HydrophobicContact CB-CG 3.96Å; N143-L146 HydrophobicContact CB-CB 4.12Å; N143-L146 VanDerWaalsContact CG-CB 3.49Å; N143-L146 PolarHBondContact O-N 3.26Å; N143-L146 PolarHBondContact OD1-N 3.29Å; Y144-L146 PolarHBondContact O-N 2.87Å; L146-L149 HydrophobicContact CD1-CD2 4.2Å; L146-L149 PolarHBondContact O-N 3.23Å; L146-H150 WeakPolarHBondContact O-CB 3.43Å; L146-H150 PolarHBondContact O-N 2.91Å
147	I	98.5	Very high	97.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.2	-49.1	169.9	-68.4	168.1	0	0	0	110.6	V33 Y40 P139 N143 Y144 L149 H150 F151	V33-I147 WeakPolarHBondContact O-CG2 3.48Å; Y40-I147 HydrophobicContact CD1-CG1 4.33Å; Y40-I147 HydrophobicContact CD1-CG2 3.78Å; Y40-I147 HydrophobicContact CD2-CG2 3.41Å; Y40-I147 VanDerWaalsContact CD2-CG2 3.41Å; Y40-I147 HydrophobicContact CE1-CG2 3.99Å; Y40-I147 HydrophobicContact CE2-CG2 3.64Å; Y40-I147 HydrophobicContact CG-CG2 3.47Å; Y40-I147 VanDerWaalsContact CG-CG2 3.47Å; P139-I147 HydrophobicContact CB-CG1 3.85Å; P139-I147 HydrophobicContact CG-CB 4.44Å; P139-I147 HydrophobicContact CG-CG1 3.78Å; N143-I147 WeakPolarHBondContact O-CG1 3.23Å; N143-I147 PolarHBondContact O-N 3.32Å; Y144-I147 PolarHBondContact O-N 3.45Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 3.15Å; I147-H150 PolarHBondContact O-N 3.11Å; I147-F151 PolarHBondContact O-N 3.34Å
148	T	98.1	Very high	97.1	Very high	7 Å²	7	45.6 Å²	45.6	4%	0.043	22%	0.223	C	C	.	.	H	α-helix	trans	-60.7	-43.5	176.8	-70.1	0	0	0	0	111.5	A30 W31 Y144 Y145 F151 L152	A30-T148 WeakPolarHBondContact O-CG2 3.29Å; A30-T148 PolarHBondContact O-OG1 3Å; A30-T148 VanDerWaalsContact O-OG1 3.14Å; W31-T148 HydrophobicContact CE3-CG2 4.45Å; W31-T148 HydrophobicContact CZ3-CG2 4.32Å; Y144-T148 PolarHBondContact O-N 2.89Å; Y144-T148 PolarHBondContact O-OG1 3.06Å; Y145-T148 PolarHBondContact O-N 2.84Å; T148-F151 WeakPolarHBondContact O-CB 3.34Å; T148-F151 PolarHBondContact O-N 3.34Å; T148-L152 HydrophobicContact CG2-CD1 4.02Å; T148-L152 HydrophobicContact CG2-CG 4.42Å; T148-L152 VanDerWaalsContact O-CG 3.3Å; T148-L152 WeakPolarHBondContact O-CG 3.48Å; T148-L152 PolarHBondContact O-N 3.26Å
149	L	97.1	Very high	97.2	Very high	82 Å²	82	38.5 Å²	38.5	43%	0.429	19%	0.192	S	C	.	.	H	α-helix	trans	-61.8	-47.1	177.6	180	62.4	0	0	0	111.7	Y145 L146 I147 F151 L152 L153	Y145-L149 WeakPolarHBondContact O-CB 3.44Å; Y145-L149 PolarHBondContact O-N 2.67Å; L146-L149 HydrophobicContact CD1-CD2 4.2Å; L146-L149 PolarHBondContact O-N 3.23Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 3.15Å; L149-F151 VanDerWaalsContact C-N 3.28Å; L149-F151 PolarHBondContact O-N 3.43Å; L149-L152 PolarHBondContact O-N 3.28Å; L149-L152 VanDerWaalsContact O-N 3.17Å; L149-L153 HydrophobicContact CD1-CD1 4.03Å; L149-L153 HydrophobicContact CD1-CG 4.09Å; L149-L153 HydrophobicContact CG-CD1 3.9Å; L149-L153 HydrophobicContact CG-CG 4.36Å; L149-L153 WeakPolarHBondContact O-CG 3.24Å; L149-L153 PolarHBondContact O-N 3.26Å
150	H	97.8	Very high	97.2	Very high	3 Å²	3	38 Å²	38	1%	0.014	19%	0.189	C	C	.	.	H	α-helix	trans	-55.8	-45.2	174.9	178.2	-99.9	0	0	0	111.6	Y40 F135 M137 P139 L146 I147 L152 L153 H154 G155	Y40-H150 HydrophobicContact CE1-CB 4.47Å; Y40-H150 AromaticContact CE1-ND1 3.31Å; Y40-H150 VanDerWaalsContact CE1-ND1 3.31Å; Y40-H150 WeakPolarHBondContact CE1-ND1 3.32Å; Y40-H150 AromaticContact CZ-ND1 3.45Å; Y40-H150 PolarHBondContact OH-ND1 3.5Å; F135-H150 PolarHBondContact O-NE2 2.97Å; M137-H150 HydrophobicContact CE-CB 3.94Å; M137-H150 PolarHBondContact O-CD2 3.47Å; M137-H150 PolarHBondContact O-NE2 2.87Å; P139-H150 HydrophobicContact CG-CB 4.3Å; L146-H150 WeakPolarHBondContact O-CB 3.43Å; L146-H150 PolarHBondContact O-N 2.91Å; I147-H150 PolarHBondContact O-N 3.11Å; H150-L152 VanDerWaalsContact C-N 3.33Å; H150-L152 PolarHBondContact O-N 3.3Å; H150-L153 PolarHBondContact O-N 3.41Å; H150-H154 PolarHBondContact O-N 2.84Å; H150-G155 PolarHBondContact O-N 3.1Å
151	F	98	Very high	97.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.172	C	C	.	.	I	π-helix	trans	-60.2	-43.2	177.6	-174.6	-111.5	0	0	0	112.2	L29 V33 Y40 W43 V44 I52 L54 I147 T148 L149 G155 Q156 K159	L29-F151 HydrophobicContact CB-CE1 4.1Å; L29-F151 HydrophobicContact CB-CZ 4.42Å; L29-F151 HydrophobicContact CD1-CZ 4.27Å; V33-F151 HydrophobicContact CB-CD1 4.43Å; V33-F151 HydrophobicContact CB-CG 4.33Å; V33-F151 HydrophobicContact CG1-CD1 3.92Å; V33-F151 HydrophobicContact CG1-CD2 4.17Å; V33-F151 HydrophobicContact CG1-CE1 3.96Å; V33-F151 HydrophobicContact CG1-CE2 4.23Å; V33-F151 HydrophobicContact CG1-CG 4.01Å; V33-F151 HydrophobicContact CG1-CZ 4.12Å; V33-F151 HydrophobicContact CG2-CB 3.88Å; V33-F151 HydrophobicContact CG2-CD1 3.84Å; V33-F151 HydrophobicContact CG2-CG 3.93Å; Y40-F151 HydrophobicContact CE2-CB 4.25Å; Y40-F151 HydrophobicContact CE2-CD2 4.35Å; Y40-F151 VanDerWaalsContact OH-CA 3.26Å; Y40-F151 WeakPolarHBondContact OH-CA 3.13Å; Y40-F151 WeakPolarHBondContact OH-CB 3.29Å; Y40-F151 PolarHBondContact OH-N 3.42Å; Y40-F151 VanDerWaalsContact OH-N 3.15Å; W43-F151 HydrophobicContact CH2-CE2 4.07Å; W43-F151 HydrophobicContact CH2-CZ 4.34Å; W43-F151 HydrophobicContact CZ3-CD2 4.25Å; W43-F151 AromaticContact CZ3-CE2 3.8Å; W43-F151 HydrophobicContact CZ3-CE2 3.8Å; W43-F151 HydrophobicContact CZ3-CZ 4.47Å; V44-F151 HydrophobicContact CG2-CD2 4.06Å; V44-F151 HydrophobicContact CG2-CE2 4.48Å; I52-F151 HydrophobicContact CD1-CZ 4.09Å; I52-F151 HydrophobicContact CG2-CZ 4.41Å; L54-F151 HydrophobicContact CD2-CD1 4.16Å; L54-F151 HydrophobicContact CD2-CE1 3.57Å; I147-F151 PolarHBondContact O-N 3.34Å; T148-F151 WeakPolarHBondContact O-CB 3.34Å; T148-F151 PolarHBondContact O-N 3.34Å; L149-F151 VanDerWaalsContact C-N 3.28Å; L149-F151 PolarHBondContact O-N 3.43Å; F151-G155 PolarHBondContact O-N 3.5Å; F151-Q156 HydrophobicContact CD2-CB 4.47Å; F151-Q156 HydrophobicContact CE1-CB 4.25Å; F151-Q156 HydrophobicContact CE2-CB 4.11Å; F151-Q156 HydrophobicContact CZ-CB 4Å; F151-Q156 WeakPolarHBondContact O-CB 3.35Å; F151-Q156 WeakPolarHBondContact O-CG 3.31Å; F151-Q156 PolarHBondContact O-N 3.33Å; F151-K159 HydrophobicContact CE2-CB 4.2Å
152	L	96.3	Very high	96.9	Very high	51 Å²	51	34.6 Å²	34.6	27%	0.267	16%	0.161	S	C	.	.	I	π-helix	trans	-69.8	-32.4	178.8	-66.2	174.1	0	0	0	112.9	A30 L54 F55 T148 L149 H150 Q156	A30-L152 HydrophobicContact CB-CD2 4.24Å; L54-L152 HydrophobicContact CD1-CD2 3.65Å; L54-L152 HydrophobicContact CD2-CD2 3.96Å; L54-L152 HydrophobicContact CG-CD2 4.33Å; F55-L152 HydrophobicContact CZ-CD2 4.43Å; T148-L152 HydrophobicContact CG2-CD1 4.02Å; T148-L152 HydrophobicContact CG2-CG 4.42Å; T148-L152 VanDerWaalsContact O-CG 3.3Å; T148-L152 WeakPolarHBondContact O-CG 3.48Å; T148-L152 PolarHBondContact O-N 3.26Å; L149-L152 PolarHBondContact O-N 3.28Å; L149-L152 VanDerWaalsContact O-N 3.17Å; H150-L152 VanDerWaalsContact C-N 3.33Å; H150-L152 PolarHBondContact O-N 3.3Å; L152-Q156 PolarHBondContact O-NE2 3.29Å
153	L	95.4	Very high	96.7	Very high	43 Å²	43	28.2 Å²	28.2	23%	0.225	13%	0.132	C	C	.	.	I	π-helix	trans	-77.5	-44.7	-179	-70.7	174.6	0	0	0	112.8	V134 F135 M137 L149 H150 F169	V134-L153 HydrophobicContact CG1-CD1 4.3Å; F135-L153 HydrophobicContact CD1-CB 4.4Å; F135-L153 HydrophobicContact CE1-CB 4.42Å; M137-L153 HydrophobicContact CE-CD1 4.36Å; L149-L153 HydrophobicContact CD1-CD1 4.03Å; L149-L153 HydrophobicContact CD1-CG 4.09Å; L149-L153 HydrophobicContact CG-CD1 3.9Å; L149-L153 HydrophobicContact CG-CG 4.36Å; L149-L153 WeakPolarHBondContact O-CG 3.24Å; L149-L153 PolarHBondContact O-N 3.26Å; H150-L153 PolarHBondContact O-N 3.41Å; L153-F169 HydrophobicContact CD2-CE2 3.96Å; L153-F169 HydrophobicContact CD2-CZ 4.04Å
154	H	96.9	Very high	96.3	Very high	6 Å²	6	26.7 Å²	26.7	3%	0.028	13%	0.13	C	C	.	.	I	π-helix	trans	-150.6	-28.3	-174.4	-162.9	65.8	0	0	0	114.6	H131 F135 H136 H150 Q156 H157 H158	H131-H154 AromaticContact CD2-CE1 3.97Å; H131-H154 AromaticContact CD2-NE2 3.6Å; H131-H154 AromaticContact NE2-CE1 3.75Å; H131-H154 AromaticContact NE2-NE2 3.29Å; H131-H154 PolarHBondContact NE2-NE2 3.45Å; F135-H154 HydrophobicContact CB-CB 3.6Å; F135-H154 VanDerWaalsContact CB-CG 3.48Å; F135-H154 HydrophobicContact CD1-CB 3.98Å; F135-H154 HydrophobicContact CD2-CB 4.35Å; F135-H154 AromaticContact CD2-CE1 3.98Å; F135-H154 AromaticContact CD2-CG 3.98Å; F135-H154 AromaticContact CD2-ND1 3.64Å; F135-H154 HydrophobicContact CG-CB 3.73Å; F135-H154 AromaticContact CG-CG 3.75Å; F135-H154 AromaticContact CG-ND1 3.9Å; F135-H154 PolarHBondContact O-CD2 3.41Å; H136-H154 AromaticContact NE2-CD2 3.84Å; H136-H154 AromaticContact NE2-NE2 3.59Å; H150-H154 PolarHBondContact O-N 2.84Å; H154-Q156 VanDerWaalsContact C-N 3.26Å; H154-Q156 PolarHBondContact O-N 2.95Å; H154-H157 AromaticContact CE1-CD2 3.7Å; H154-H157 WeakPolarHBondContact O-CA 3.31Å; H154-H157 WeakPolarHBondContact O-CB 3.31Å; H154-H157 PolarHBondContact O-N 3.49Å; H154-H158 AromaticContact CD2-CD2 3.25Å; H154-H158 PolarHBondContact CD2-CD2 3.29Å; H154-H158 AromaticContact CD2-NE2 3.52Å; H154-H158 AromaticContact NE2-CD2 3.17Å; H154-H158 PolarHBondContact NE2-CD2 2.72Å; H154-H158 AromaticContact NE2-NE2 3.02Å; H154-H158 PolarHBondContact NE2-NE2 3.38Å; H154-H158 PolarHBondContact O-N 3.14Å
155	G	97.4	Very high	96	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.01	13%	0.13	C	C	.	.	I	π-helix	trans	-59.8	-32.9	-178.1	0	0	0	0	0	114	V44 H150 F151 H157 H158 K159	V44-G155 WeakPolarHBondContact CG2-O 3.38Å; H150-G155 PolarHBondContact O-N 3.1Å; F151-G155 PolarHBondContact O-N 3.5Å; G155-H157 PolarHBondContact O-N 2.78Å; G155-H158 PolarHBondContact O-N 3.43Å; G155-K159 VanDerWaalsContact O-CB 3.26Å; G155-K159 WeakPolarHBondContact O-CB 3.43Å; G155-K159 PolarHBondContact O-N 3.23Å
156	Q	97.1	Very high	95.7	Very high	22 Å²	22	17.9 Å²	17.9	10%	0.103	10%	0.099	C	C	.	.	H	α-helix	trans	-61.8	-33.7	173.7	65.6	176.1	-48.1	0	0	112.4	I52 F151 L152 H154 K159 S160 R166	I52-Q156 HydrophobicContact CD1-CB 4.02Å; I52-Q156 WeakPolarHBondContact CD1-O 3.4Å; F151-Q156 HydrophobicContact CD2-CB 4.47Å; F151-Q156 HydrophobicContact CE1-CB 4.25Å; F151-Q156 HydrophobicContact CE2-CB 4.11Å; F151-Q156 HydrophobicContact CZ-CB 4Å; F151-Q156 WeakPolarHBondContact O-CB 3.35Å; F151-Q156 WeakPolarHBondContact O-CG 3.31Å; F151-Q156 PolarHBondContact O-N 3.33Å; L152-Q156 PolarHBondContact O-NE2 3.29Å; H154-Q156 VanDerWaalsContact C-N 3.26Å; H154-Q156 PolarHBondContact O-N 2.95Å; Q156-K159 PolarHBondContact O-N 3Å; Q156-S160 PolarHBondContact O-N 3.32Å; Q156-R166 VanDerWaalsContact OE1-CD 3.23Å
157	H	97.1	Very high	95.6	Very high	6 Å²	6	16.2 Å²	16.2	3%	0.028	9%	0.091	C	C	.	.	H	α-helix	trans	-74.3	-44.6	179.7	173.9	58.4	0	0	0	110.8	H154 G155 K159 S160 P161 H212 H216 H237	H154-H157 AromaticContact CE1-CD2 3.7Å; H154-H157 WeakPolarHBondContact O-CA 3.31Å; H154-H157 WeakPolarHBondContact O-CB 3.31Å; H154-H157 PolarHBondContact O-N 3.49Å; G155-H157 PolarHBondContact O-N 2.78Å; H157-K159 VanDerWaalsContact C-N 3.27Å; H157-K159 PolarHBondContact O-N 3.23Å; H157-S160 CarbonylContact O-C 3.6Å; H157-S160 PolarHBondContact O-N 3.02Å; H157-P161 WeakPolarHBondContact O-CA 3.21Å; H157-H212 AromaticContact CD2-CE1 3.85Å; H157-H212 AromaticContact CE1-NE2 3.8Å; H157-H212 AromaticContact NE2-CE1 3.34Å; H157-H212 PolarHBondContact NE2-CE1 3.19Å; H157-H212 VanDerWaalsContact NE2-CE1 3.34Å; H157-H212 AromaticContact NE2-NE2 3.11Å; H157-H212 PolarHBondContact NE2-NE2 2.88Å; H157-H212 VanDerWaalsContact NE2-NE2 3.11Å; H157-H216 AromaticContact CE1-CD2 3.98Å; H157-H216 AromaticContact CE1-CE1 3.35Å; H157-H216 PolarHBondContact CE1-CE1 2.99Å; H157-H216 AromaticContact CE1-ND1 3.98Å; H157-H216 AromaticContact CE1-NE2 3.33Å; H157-H216 PolarHBondContact CE1-NE2 2.77Å; H157-H216 VanDerWaalsContact CE1-NE2 3.33Å; H157-H216 AromaticContact NE2-CE1 3.69Å; H157-H216 AromaticContact NE2-NE2 3.4Å; H157-H216 PolarHBondContact NE2-NE2 3.4Å; H157-H237 AromaticContact CD2-CE1 3.49Å; H157-H237 PolarHBondContact CD2-CE1 3.37Å; H157-H237 VanDerWaalsContact CD2-CE1 3.49Å; H157-H237 AromaticContact CD2-NE2 3.91Å; H157-H237 AromaticContact CE1-CE1 3.99Å; H157-H237 AromaticContact NE2-CE1 3.23Å; H157-H237 PolarHBondContact NE2-CE1 3.48Å; H157-H237 AromaticContact NE2-NE2 3.22Å; H157-H237 PolarHBondContact NE2-NE2 3.37Å
158	H	96.6	Very high	95.4	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.009	9%	0.092	C	C	.	.	H	α-helix	trans	-61.9	-36.9	170.5	-87.5	-91	0	0	0	112.9	H136 H154 G155 H236 H237	H136-H158 AromaticContact CE1-CD2 3.95Å; H136-H158 AromaticContact CE1-CE1 3.43Å; H136-H158 PolarHBondContact CE1-CE1 3Å; H136-H158 VanDerWaalsContact CE1-CE1 3.43Å; H136-H158 AromaticContact CE1-NE2 3.23Å; H136-H158 PolarHBondContact CE1-NE2 3.44Å; H136-H158 AromaticContact NE2-CE1 3.68Å; H136-H158 AromaticContact NE2-NE2 3.14Å; H136-H158 PolarHBondContact NE2-NE2 3.45Å; H136-H158 VanDerWaalsContact NE2-NE2 3.14Å; H154-H158 AromaticContact CD2-CD2 3.25Å; H154-H158 PolarHBondContact CD2-CD2 3.29Å; H154-H158 AromaticContact CD2-NE2 3.52Å; H154-H158 AromaticContact NE2-CD2 3.17Å; H154-H158 PolarHBondContact NE2-CD2 2.72Å; H154-H158 AromaticContact NE2-NE2 3.02Å; H154-H158 PolarHBondContact NE2-NE2 3.38Å; H154-H158 PolarHBondContact O-N 3.14Å; G155-H158 PolarHBondContact O-N 3.43Å; H158-H236 AromaticContact CE1-CD2 3.63Å; H158-H236 AromaticContact CE1-NE2 3.23Å; H158-H236 PolarHBondContact CE1-NE2 2.94Å; H158-H236 AromaticContact NE2-CD2 3.98Å; H158-H236 AromaticContact NE2-NE2 3.33Å; H158-H236 PolarHBondContact NE2-NE2 3.49Å; H158-H237 AromaticContact CD2-CE1 3.95Å; H158-H237 AromaticContact CE1-CE1 3.68Å; H158-H237 AromaticContact CE1-ND1 3.46Å; H158-H237 PolarHBondContact CE1-ND1 3.33Å; H158-H237 AromaticContact CG-ND1 3.81Å; H158-H237 AromaticContact ND1-CE1 3.85Å; H158-H237 AromaticContact ND1-ND1 3.34Å; H158-H237 PolarHBondContact ND1-ND1 3.17Å; H158-H237 AromaticContact NE2-CE1 3.74Å; H158-H237 AromaticContact NE2-ND1 3.96Å
159	K	96.9	Very high	95.1	Very high	3 Å²	3	18.1 Å²	18.1	1%	0.013	10%	0.099	C	C	.	.	H	α-helix	trans	-70.9	-39.7	-180	-173.8	56.1	176.3	-177.6	0	112.2	W25 W43 V44 Q46 P47 V48 I52 F151 G155 Q156 H157	W25-K159 HydrophobicContact CH2-CG 4.18Å; W43-K159 HydrophobicContact CH2-CD 4.28Å; W43-K159 HydrophobicContact CH2-CG 3.99Å; W43-K159 HydrophobicContact CZ2-CD 4.3Å; W43-K159 HydrophobicContact CZ2-CG 4.38Å; W43-K159 HydrophobicContact CZ3-CD 4.46Å; W43-K159 HydrophobicContact CZ3-CG 4.3Å; W43-K159 PolarHBondContact O-NZ 3.24Å; V44-K159 HydrophobicContact CG2-CB 4.49Å; V44-K159 WeakPolarHBondContact O-CA 3.29Å; V44-K159 PolarHBondContact O-N 2.85Å; Q46-K159 VanDerWaalsContact O-CD 3.28Å; Q46-K159 WeakPolarHBondContact O-CD 3.09Å; Q46-K159 WeakPolarHBondContact O-CE 3.39Å; Q46-K159 PolarHBondContact O-NZ 3.45Å; P47-K159 CarbonylContact C-O 3.49Å; P47-K159 WeakPolarHBondContact CA-O 3.28Å; V48-K159 HydrophobicContact CG2-CD 4.48Å; V48-K159 WeakPolarHBondContact CG2-O 3.42Å; V48-K159 PolarHBondContact N-O 2.81Å; I52-K159 HydrophobicContact CD1-CB 4.28Å; I52-K159 HydrophobicContact CD1-CG 4.37Å; F151-K159 HydrophobicContact CE2-CB 4.2Å; G155-K159 VanDerWaalsContact O-CB 3.26Å; G155-K159 WeakPolarHBondContact O-CB 3.43Å; G155-K159 PolarHBondContact O-N 3.23Å; Q156-K159 PolarHBondContact O-N 3Å; H157-K159 VanDerWaalsContact C-N 3.27Å; H157-K159 PolarHBondContact O-N 3.23Å
160	S	96	Very high	95	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.014	9%	0.086	C	C	.	.			trans	-132.2	76	178.3	179.1	0	0	0	0	110.7	R50 Q156 H157 Y162 D163	R50-S160 WeakPolarHBondContact O-CB 3.07Å; R50-S160 PolarHBondContact O-OG 3.23Å; Q156-S160 PolarHBondContact O-N 3.32Å; H157-S160 CarbonylContact O-C 3.6Å; H157-S160 PolarHBondContact O-N 3.02Å; S160-Y162 PolarHBondContact O-N 2.82Å; S160-D163 PolarHBondContact O-N 3.48Å; S160-D163 VanDerWaalsContact O-N 3.11Å; S160-D163 WeakPolarHBondContact OG-CB 3.28Å
161	P	94.3	Very high	94.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-14.3	-172.4	26.4	-35.4	0	0	0	113.8	P47 H157 H216 F238	P47-P161 HydrophobicContact CB-CG 4Å; H157-P161 WeakPolarHBondContact O-CA 3.21Å; P161-H216 PolarHBondContact O-ND1 3.15Å; P161-F238 HydrophobicContact CG-CZ 4.05Å
162	Y	92.7	Very high	94.5	Very high	22 Å²	22	18.8 Å²	18.8	9%	0.086	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	14.4	178.8	-53.9	-62.2	0	0	0	114.1	P9 Y10 S160 G164 Y217 F238	P9-Y162 WeakPolarHBondContact CB-OH 3.23Å; Y10-Y162 HydrophobicContact CD1-CD1 4.43Å; Y10-Y162 AromaticContact CD1-CD2 3.56Å; Y10-Y162 HydrophobicContact CD1-CD2 3.56Å; Y10-Y162 AromaticContact CD1-CE2 3.99Å; Y10-Y162 HydrophobicContact CD1-CE2 3.99Å; Y10-Y162 AromaticContact CD1-CG 3.85Å; Y10-Y162 HydrophobicContact CD1-CG 3.85Å; Y10-Y162 AromaticContact CE1-CD1 3.75Å; Y10-Y162 HydrophobicContact CE1-CD1 3.75Å; Y10-Y162 AromaticContact CE1-CD2 3.65Å; Y10-Y162 HydrophobicContact CE1-CD2 3.65Å; Y10-Y162 HydrophobicContact CE1-CE1 4.36Å; Y10-Y162 HydrophobicContact CE1-CE2 4.26Å; Y10-Y162 AromaticContact CE1-CG 3.39Å; Y10-Y162 HydrophobicContact CE1-CG 3.39Å; Y10-Y162 HydrophobicContact CG-CD2 4.33Å; Y10-Y162 HydrophobicContact CG-CE2 4.3Å; Y10-Y162 AromaticContact CZ-CD1 3.87Å; S160-Y162 PolarHBondContact O-N 2.82Å; Y162-G164 PolarHBondContact O-N 3.38Å; Y162-Y217 WeakPolarHBondContact CA-OH 3.46Å; Y162-Y217 PolarHBondContact O-OH 3.38Å; Y162-F238 HydrophobicContact CE2-CZ 4.05Å; Y162-F238 WeakPolarHBondContact OH-CE2 3.08Å
163	D	93.1	Very high	94.3	Very high	12 Å²	12	20.9 Å²	20.9	6%	0.064	13%	0.13	C	C	.	.			trans	-79	99.1	165.2	-170.3	-27.9	0	0	0	111.2	P51 I52 S160 S165 R166 Y217	P51-D163 WeakPolarHBondContact CA-OD2 3.25Å; I52-D163 PolarHBondContact N-OD2 2.75Å; S160-D163 PolarHBondContact O-N 3.48Å; S160-D163 VanDerWaalsContact O-N 3.11Å; S160-D163 WeakPolarHBondContact OG-CB 3.28Å; D163-S165 PolarHBondContact O-N 3.41Å; D163-S165 PolarHBondContact OD1-N 3.41Å; D163-S165 VanDerWaalsContact OD1-N 3.09Å; D163-S165 PolarHBondContact OD1-OG 2.9Å; D163-R166 HydrophobicContact CB-CB 4.22Å; D163-R166 HydrophobicContact CB-CG 4.5Å; D163-R166 PolarHBondContact O-N 3.47Å; D163-R166 VanDerWaalsContact OD2-CD 3.31Å; D163-R166 WeakPolarHBondContact OD2-CD 3.33Å; D163-R166 IonicContact OD2-NE 3.88Å; D163-Y217 PolarHBondContact N-OH 3.07Å
164	G	89.7	Confident	94.2	Very high	25 Å²	25	19 Å²	19	26%	0.258	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-11	-171.9	0	0	0	0	0	114.4	Y162 Y217	Y162-G164 PolarHBondContact O-N 3.38Å; G164-Y217 WeakPolarHBondContact CA-OH 3.28Å; G164-Y217 PolarHBondContact N-OH 2.98Å
165	S	90.6	Very high	94.2	Very high	28 Å²	28	20.9 Å²	20.9	20%	0.196	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-4.9	176	71.3	0	0	0	0	113.3	K65 T66 D163	K65-S165 CarbonylContact C-O 3.55Å; K65-S165 WeakPolarHBondContact CA-O 3.41Å; T66-S165 PolarHBondContact N-O 3.3Å; D163-S165 PolarHBondContact O-N 3.41Å; D163-S165 PolarHBondContact OD1-N 3.41Å; D163-S165 VanDerWaalsContact OD1-N 3.09Å; D163-S165 PolarHBondContact OD1-OG 2.9Å
166	R	93.4	Very high	94.1	Very high	12 Å²	12	25.7 Å²	25.7	5%	0.045	16%	0.158	C	C	.	.	S	Bend	trans	-131.8	23	-170.4	-58.6	-171.1	165.8	-61.3	-2.6	113.7	I52 E61 T64 Q156 D163	I52-R166 PolarHBondContact O-NE 2.84Å; E61-R166 IonicContact OE1-CZ 3.84Å; E61-R166 IonicContact OE1-NH2 2.71Å; E61-R166 PolarHBondContact OE1-NH2 2.98Å; E61-R166 IonicContact OE2-NH2 3.38Å; E61-R166 PolarHBondContact OE2-NH2 3.38Å; T64-R166 VanDerWaalsContact CB-NH1 3.29Å; T64-R166 PolarHBondContact O-NH1 3.19Å; T64-R166 VanDerWaalsContact O-NH1 3.09Å; T64-R166 PolarHBondContact OG1-NH1 3.46Å; T64-R166 PolarHBondContact OG1-NH2 3.43Å; Q156-R166 VanDerWaalsContact OE1-CD 3.23Å; D163-R166 HydrophobicContact CB-CB 4.22Å; D163-R166 HydrophobicContact CB-CG 4.5Å; D163-R166 PolarHBondContact O-N 3.47Å; D163-R166 VanDerWaalsContact OD2-CD 3.31Å; D163-R166 WeakPolarHBondContact OD2-CD 3.33Å; D163-R166 IonicContact OD2-NE 3.88Å
167	L	94	Very high	93.9	Very high	13 Å²	13	27.4 Å²	27.4	7%	0.068	17%	0.17	C	C	.	.	S	Bend	trans	-96.5	-58.4	178.9	-172.7	160.7	0	0	0	112.2	H212 Y213 H216 Y217	L167-H212 HydrophobicContact CD2-CB 4.34Å; L167-Y213 HydrophobicContact CB-CD2 4.4Å; L167-Y213 HydrophobicContact CD1-CD2 4.11Å; L167-Y213 HydrophobicContact CD2-CD2 4.15Å; L167-Y213 HydrophobicContact CG-CD2 4.46Å; L167-H216 HydrophobicContact CD1-CB 3.64Å; L167-Y217 HydrophobicContact CD1-CD2 4.17Å; L167-Y217 HydrophobicContact CD1-CE2 3.67Å
168	V	94.8	Very high	93.9	Very high	5 Å²	5	28.2 Å²	28.2	3%	0.03	18%	0.175	C	C	.	.	S	Bend	trans	-74	150.8	-176.3	-63.7	0	0	0	0	111.3	T66 W68 V71 P170 D209 M210 Y213	T66-V168 HydrophobicContact CG2-CG2 3.59Å; T66-V168 WeakPolarHBondContact O-CG2 3.19Å; W68-V168 HydrophobicContact CB-CG1 4.33Å; V71-V168 HydrophobicContact CG2-CB 3.83Å; V71-V168 HydrophobicContact CG2-CG1 4.34Å; V71-V168 HydrophobicContact CG2-CG2 4.01Å; V168-P170 WeakPolarHBondContact O-CD 3.39Å; V168-D209 HydrophobicContact CG1-CB 4.44Å; V168-M210 HydrophobicContact CG1-CE 4.19Å; V168-Y213 HydrophobicContact CG1-CD2 4.16Å
169	F	92.5	Very high	93.9	Very high	42 Å²	42	30.9 Å²	30.9	18%	0.184	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-73.6	126.8	-177.8	-156.6	-117	0	0	0	110.6	L153 P171 L173 A174 D209	L153-F169 HydrophobicContact CD2-CE2 3.96Å; L153-F169 HydrophobicContact CD2-CZ 4.04Å; F169-P171 WeakPolarHBondContact O-CD 3.41Å; F169-L173 HydrophobicContact CE1-CB 3.98Å; F169-L173 HydrophobicContact CZ-CB 4.14Å; F169-A174 HydrophobicContact CD1-CB 3.65Å; F169-A174 HydrophobicContact CE1-CB 4.2Å; F169-D209 PolarHBondContact N-OD2 3.04Å
170	P	93.5	Very high	93.8	Very high	25 Å²	25	35.1 Å²	35.1	16%	0.162	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-59.6	125.6	-176.1	-25.9	34.6	0	0	0	112.1	T66 V168 G172 L173 A174	T66-P170 WeakPolarHBondContact OG1-CA 3.4Å; T66-P170 WeakPolarHBondContact OG1-CB 3.44Å; V168-P170 WeakPolarHBondContact O-CD 3.39Å; P170-G172 PolarHBondContact O-N 2.9Å; P170-G172 VanDerWaalsContact O-N 3.1Å; P170-L173 HydrophobicContact CB-CD1 4.41Å; P170-L173 HydrophobicContact CB-CG 4.46Å; P170-L173 HydrophobicContact CG-CD1 4.27Å; P170-L173 PolarHBondContact O-N 3.15Å; P170-A174 PolarHBondContact O-N 3.42Å
171	P	94	Very high	93.8	Very high	19 Å²	19	38.8 Å²	38.8	12%	0.123	23%	0.232	C	C	.	.	H	α-helix	trans	-55.5	-34.6	-175.4	-30.1	34.4	0	0	0	114.5	W70 V74 W75 F169 L173 A174 S175	W70-P171 HydrophobicContact CB-CG 4.28Å; V74-P171 HydrophobicContact CB-CB 4.25Å; V74-P171 HydrophobicContact CG1-CB 4.16Å; V74-P171 HydrophobicContact CG2-CB 4.07Å; V74-P171 HydrophobicContact CG2-CG 4.23Å; W75-P171 HydrophobicContact CZ2-CB 4.06Å; W75-P171 WeakPolarHBondContact CZ2-O 3.34Å; F169-P171 WeakPolarHBondContact O-CD 3.41Å; P171-L173 PolarHBondContact O-N 3.27Å; P171-A174 PolarHBondContact O-N 3.01Å; P171-S175 WeakPolarHBondContact O-CB 3.46Å; P171-S175 PolarHBondContact O-N 3.26Å
172	G	92.4	Very high	94	Very high	56 Å²	56	42.2 Å²	42.2	58%	0.577	25%	0.246	S	C	*	.	H	α-helix	trans	-59.4	-45.7	174.9	0	0	0	0	0	112.7	P170 S175	P170-G172 PolarHBondContact O-N 2.9Å; P170-G172 VanDerWaalsContact O-N 3.1Å; G172-S175 PolarHBondContact O-OG 3.38Å
173	L	91.3	Very high	94.2	Very high	95 Å²	95	45.6 Å²	45.6	50%	0.497	26%	0.264	S	S	.	.	H	α-helix	trans	-73.7	-40.5	176.5	-64.7	178.2	0	0	0	111.5	F169 P170 P171 S175 I176	F169-L173 HydrophobicContact CE1-CB 3.98Å; F169-L173 HydrophobicContact CZ-CB 4.14Å; P170-L173 HydrophobicContact CB-CD1 4.41Å; P170-L173 HydrophobicContact CB-CG 4.46Å; P170-L173 HydrophobicContact CG-CD1 4.27Å; P170-L173 PolarHBondContact O-N 3.15Å; P171-L173 PolarHBondContact O-N 3.27Å; L173-S175 PolarHBondContact O-N 3.17Å; L173-I176 PolarHBondContact O-N 3.39Å
174	A	94.6	Very high	94.3	Very high	4 Å²	4	48.2 Å²	48.2	3%	0.033	28%	0.283	C	S	.	.	H	α-helix	trans	-55.7	-37.9	175.6	0	0	0	0	0	111.6	W75 F169 P170 P171 I176 V177 V178	W75-A174 HydrophobicContact CZ2-CB 3.9Å; F169-A174 HydrophobicContact CD1-CB 3.65Å; F169-A174 HydrophobicContact CE1-CB 4.2Å; P170-A174 PolarHBondContact O-N 3.42Å; P171-A174 PolarHBondContact O-N 3.01Å; A174-I176 PolarHBondContact O-N 3.42Å; A174-I176 VanDerWaalsContact O-N 3.15Å; A174-V177 PolarHBondContact O-N 2.96Å; A174-V178 WeakPolarHBondContact O-CB 3.42Å; A174-V178 VanDerWaalsContact O-CG2 3.3Å; A174-V178 WeakPolarHBondContact O-CG2 3.31Å; A174-V178 PolarHBondContact O-N 3.37Å
175	S	95.9	Very high	94.7	Very high	44 Å²	44	48.9 Å²	48.9	31%	0.308	28%	0.28	S	S	.	.	H	α-helix	trans	-57	-31.5	-178.8	77.8	0	0	0	0	113.8	P171 G172 L173 S179	P171-S175 WeakPolarHBondContact O-CB 3.46Å; P171-S175 PolarHBondContact O-N 3.26Å; G172-S175 PolarHBondContact O-OG 3.38Å; L173-S175 PolarHBondContact O-N 3.17Å; S175-S179 WeakPolarHBondContact O-CB 3.27Å; S175-S179 PolarHBondContact O-N 3.02Å; S175-S179 PolarHBondContact O-OG 2.94Å
176	I	95.1	Very high	94.8	Very high	103 Å²	103	49.4 Å²	49.4	53%	0.528	28%	0.284	S	S	.	.	H	α-helix	trans	-65.6	-51.7	177	-59	172.5	0	0	0	109	L173 A174 S179 L180	L173-I176 PolarHBondContact O-N 3.39Å; A174-I176 PolarHBondContact O-N 3.42Å; A174-I176 VanDerWaalsContact O-N 3.15Å; I176-S179 PolarHBondContact O-N 3.01Å; I176-L180 HydrophobicContact CG2-CD1 4.25Å; I176-L180 VanDerWaalsContact O-CG 3.26Å; I176-L180 WeakPolarHBondContact O-CG 3.47Å; I176-L180 PolarHBondContact O-N 3.36Å
177	V	93.5	Very high	94.8	Very high	58 Å²	58	57.6 Å²	57.6	35%	0.352	32%	0.319	S	S	.	.	H	α-helix	trans	-66.2	-45.1	-179	-178.9	0	0	0	0	110.9	A174 S179 L180 F181	A174-V177 PolarHBondContact O-N 2.96Å; V177-S179 VanDerWaalsContact C-N 3.34Å; V177-S179 PolarHBondContact O-N 3.41Å; V177-L180 WeakPolarHBondContact O-CB 3.45Å; V177-L180 PolarHBondContact O-N 3.17Å; V177-F181 HydrophobicContact CG1-CD2 3.77Å; V177-F181 HydrophobicContact CG1-CE2 3.53Å; V177-F181 VanDerWaalsContact O-CD2 3.25Å; V177-F181 WeakPolarHBondContact O-CD2 3.24Å; V177-F181 PolarHBondContact O-N 3.37Å
178	V	96.7	Very high	94.8	Very high	22 Å²	22	62 Å²	62	13%	0.133	35%	0.347	C	S	.	.	H	α-helix	trans	-58.7	-44.9	176.3	170.2	0	0	0	0	111.1	W75 A174 F181 Y182 F198 L202	W75-V178 HydrophobicContact CH2-CB 4.38Å; W75-V178 HydrophobicContact CH2-CG1 4.38Å; W75-V178 HydrophobicContact CH2-CG2 4.3Å; W75-V178 HydrophobicContact CZ3-CB 4.46Å; W75-V178 HydrophobicContact CZ3-CG1 3.98Å; W75-V178 HydrophobicContact CZ3-CG2 4.48Å; A174-V178 WeakPolarHBondContact O-CB 3.42Å; A174-V178 VanDerWaalsContact O-CG2 3.3Å; A174-V178 WeakPolarHBondContact O-CG2 3.31Å; A174-V178 PolarHBondContact O-N 3.37Å; V178-F181 PolarHBondContact O-N 2.83Å; V178-Y182 WeakPolarHBondContact O-CB 3.15Å; V178-Y182 PolarHBondContact O-N 3.45Å; V178-F198 HydrophobicContact CG1-CE2 3.73Å; V178-F198 HydrophobicContact CG1-CZ 3.55Å; V178-L202 HydrophobicContact CG1-CD1 4Å; V178-L202 HydrophobicContact CG2-CD1 4.11Å
179	S	96.7	Very high	94.7	Very high	58 Å²	58	65 Å²	65	41%	0.406	36%	0.363	S	S	.	.	H	α-helix	trans	-65.3	-39.7	177.7	-60.7	0	0	0	0	112.1	S175 I176 V177 Y182 M183	S175-S179 WeakPolarHBondContact O-CB 3.27Å; S175-S179 PolarHBondContact O-N 3.02Å; S175-S179 PolarHBondContact O-OG 2.94Å; I176-S179 PolarHBondContact O-N 3.01Å; V177-S179 VanDerWaalsContact C-N 3.34Å; V177-S179 PolarHBondContact O-N 3.41Å; S179-Y182 PolarHBondContact O-N 3.39Å; S179-M183 WeakPolarHBondContact O-CB 3.35Å; S179-M183 VanDerWaalsContact O-CG 3.29Å; S179-M183 WeakPolarHBondContact O-CG 3.44Å; S179-M183 PolarHBondContact O-N 3.49Å
180	L	96.1	Very high	94.7	Very high	93 Å²	93	65.8 Å²	65.8	49%	0.487	37%	0.372	S	S	.	.	H	α-helix	trans	-61.2	-43.9	175.4	-71.9	169.4	0	0	0	111.6	I176 V177 M183 S184	I176-L180 HydrophobicContact CG2-CD1 4.25Å; I176-L180 VanDerWaalsContact O-CG 3.26Å; I176-L180 WeakPolarHBondContact O-CG 3.47Å; I176-L180 PolarHBondContact O-N 3.36Å; V177-L180 WeakPolarHBondContact O-CB 3.45Å; V177-L180 PolarHBondContact O-N 3.17Å; L180-M183 HydrophobicContact CD2-CE 3.91Å; L180-S184 WeakPolarHBondContact O-CB 3.47Å; L180-S184 PolarHBondContact O-N 3.5Å; L180-S184 PolarHBondContact O-OG 2.66Å
181	F	95.4	Very high	94.6	Very high	78 Å²	78	70.8 Å²	70.8	34%	0.342	39%	0.393	S	S	.	.	H	α-helix	trans	-64.4	-45.4	175.2	-81.1	-65.2	0	0	0	112.2	I126 V177 V178 S184 L185	I126-F181 HydrophobicContact CD1-CD1 4.4Å; I126-F181 HydrophobicContact CD1-CE1 3.82Å; I126-F181 HydrophobicContact CD1-CZ 4.07Å; I126-F181 HydrophobicContact CG1-CE1 4.48Å; I126-F181 HydrophobicContact CG1-CZ 4.44Å; I126-F181 HydrophobicContact CG2-CE2 4.23Å; I126-F181 HydrophobicContact CG2-CZ 3.83Å; V177-F181 HydrophobicContact CG1-CD2 3.77Å; V177-F181 HydrophobicContact CG1-CE2 3.53Å; V177-F181 VanDerWaalsContact O-CD2 3.25Å; V177-F181 WeakPolarHBondContact O-CD2 3.24Å; V177-F181 PolarHBondContact O-N 3.37Å; V178-F181 PolarHBondContact O-N 2.83Å; F181-S184 PolarHBondContact O-N 3.34Å; F181-L185 WeakPolarHBondContact O-CG 3.25Å; F181-L185 PolarHBondContact O-N 3.1Å
182	Y	97.4	Very high	94.7	Very high	73 Å²	73	70.9 Å²	70.9	29%	0.286	39%	0.394	S	S	.	.	H	α-helix	trans	-57.1	-52.6	176.9	179.2	-115.2	0	0	0	111.8	V178 S179 S184 L185 C186 T195 F198	V178-Y182 WeakPolarHBondContact O-CB 3.15Å; V178-Y182 PolarHBondContact O-N 3.45Å; S179-Y182 PolarHBondContact O-N 3.39Å; Y182-S184 VanDerWaalsContact C-N 3.29Å; Y182-S184 PolarHBondContact O-N 2.96Å; Y182-L185 PolarHBondContact O-N 3.44Å; Y182-C186 WeakPolarHBondContact CE2-SG 3.44Å; Y182-C186 PolarHBondContact O-N 3.27Å; Y182-C186 PolarHBondContact O-SG 2.88Å; Y182-T195 HydrophobicContact CE2-CG2 4.17Å; Y182-F198 HydrophobicContact CD2-CB 4.15Å; Y182-F198 AromaticContact CD2-CD1 3.52Å; Y182-F198 HydrophobicContact CD2-CD1 3.52Å; Y182-F198 HydrophobicContact CD2-CD2 4.03Å; Y182-F198 AromaticContact CD2-CE1 3.85Å; Y182-F198 HydrophobicContact CD2-CE1 3.85Å; Y182-F198 HydrophobicContact CD2-CE2 4.33Å; Y182-F198 AromaticContact CD2-CG 3.61Å; Y182-F198 HydrophobicContact CD2-CG 3.61Å; Y182-F198 HydrophobicContact CD2-CZ 4.23Å; Y182-F198 HydrophobicContact CE2-CD1 4.14Å; Y182-F198 HydrophobicContact CG-CD1 4.4Å; Y182-F198 HydrophobicContact CG-CD2 4.41Å; Y182-F198 HydrophobicContact CG-CE1 4.37Å; Y182-F198 HydrophobicContact CG-CE2 4.39Å; Y182-F198 HydrophobicContact CG-CG 4.41Å; Y182-F198 HydrophobicContact CG-CZ 4.36Å
183	M	96.9	Very high	94.8	Very high	93 Å²	93	69 Å²	69	46%	0.458	37%	0.37	S	S	.	.	H	α-helix	trans	-61.4	-37.6	179.2	-70.4	-172	-56.1	0	0	112.3	S179 L180 K187	S179-M183 WeakPolarHBondContact O-CB 3.35Å; S179-M183 VanDerWaalsContact O-CG 3.29Å; S179-M183 WeakPolarHBondContact O-CG 3.44Å; S179-M183 PolarHBondContact O-N 3.49Å; L180-M183 HydrophobicContact CD2-CE 3.91Å; M183-K187 WeakPolarHBondContact O-CB 3.25Å; M183-K187 VanDerWaalsContact O-CG 3.29Å; M183-K187 WeakPolarHBondContact O-CG 3.5Å; M183-K187 PolarHBondContact O-N 3.17Å
184	S	96.6	Very high	95.1	Very high	67 Å²	67	64.5 Å²	64.5	47%	0.469	35%	0.347	S	S	.	.	H	α-helix	trans	-65.6	-42.6	178.4	-59.9	0	0	0	0	111.3	L180 F181 Y182 K187 T188	L180-S184 WeakPolarHBondContact O-CB 3.47Å; L180-S184 PolarHBondContact O-N 3.5Å; L180-S184 PolarHBondContact O-OG 2.66Å; F181-S184 PolarHBondContact O-N 3.34Å; Y182-S184 VanDerWaalsContact C-N 3.29Å; Y182-S184 PolarHBondContact O-N 2.96Å; S184-K187 PolarHBondContact O-N 3.14Å; S184-T188 WeakPolarHBondContact O-CB 3.3Å; S184-T188 VanDerWaalsContact O-CG2 3.28Å; S184-T188 WeakPolarHBondContact O-CG2 3.33Å; S184-T188 PolarHBondContact O-N 3.44Å; S184-T188 PolarHBondContact O-OG1 2.65Å
185	L	96.5	Very high	95.2	Very high	39 Å²	39	64.5 Å²	64.5	20%	0.204	35%	0.346	C	S	.	.	H	α-helix	trans	-65.9	-45.4	176.5	-72.1	168.3	0	0	0	111.8	F181 Y182 K187 T188 L189 V197 F198	F181-L185 WeakPolarHBondContact O-CG 3.25Å; F181-L185 PolarHBondContact O-N 3.1Å; Y182-L185 PolarHBondContact O-N 3.44Å; L185-K187 PolarHBondContact O-N 3.11Å; L185-T188 WeakPolarHBondContact CA-OG1 3.32Å; L185-T188 PolarHBondContact O-N 2.97Å; L185-T188 VanDerWaalsContact O-N 3.17Å; L185-T188 PolarHBondContact O-OG1 2.98Å; L185-L189 HydrophobicContact CD2-CD1 4.1Å; L185-L189 WeakPolarHBondContact O-CB 3.44Å; L185-L189 PolarHBondContact O-N 2.89Å; L185-V197 HydrophobicContact CD1-CG1 4.34Å; L185-V197 HydrophobicContact CD2-CG1 4.19Å; L185-F198 HydrophobicContact CD1-CB 3.66Å; L185-F198 HydrophobicContact CD1-CD2 4.41Å
186	C	93.1	Very high	95.4	Very high	39 Å²	39	62.4 Å²	62.4	26%	0.264	33%	0.332	S	S	.	.	H	α-helix	trans	-69	-20.6	179	-66	0	0	0	0	113.8	Y182	Y182-C186 WeakPolarHBondContact CE2-SG 3.44Å; Y182-C186 PolarHBondContact O-N 3.27Å; Y182-C186 PolarHBondContact O-SG 2.88Å
187	K	94.6	Very high	95.5	Very high	183 Å²	183	58.1 Å²	58.1	80%	0.796	31%	0.31	S	S	*	.	H	α-helix	trans	-84.2	-21.2	172.6	-77	-176.3	179.3	-175.1	0	113.9	M183 S184 L185	M183-K187 WeakPolarHBondContact O-CB 3.25Å; M183-K187 VanDerWaalsContact O-CG 3.29Å; M183-K187 WeakPolarHBondContact O-CG 3.5Å; M183-K187 PolarHBondContact O-N 3.17Å; S184-K187 PolarHBondContact O-N 3.14Å; L185-K187 PolarHBondContact O-N 3.11Å
188	T	94	Very high	95.8	Very high	107 Å²	107	56.1 Å²	56.1	66%	0.656	30%	0.297	S	S	*	.	H	α-helix	trans	-105	-27.3	-174.3	50.6	0	0	0	0	112.8	S184 L185	S184-T188 WeakPolarHBondContact O-CB 3.3Å; S184-T188 VanDerWaalsContact O-CG2 3.28Å; S184-T188 WeakPolarHBondContact O-CG2 3.33Å; S184-T188 PolarHBondContact O-N 3.44Å; S184-T188 PolarHBondContact O-OG1 2.65Å; L185-T188 WeakPolarHBondContact CA-OG1 3.32Å; L185-T188 PolarHBondContact O-N 2.97Å; L185-T188 VanDerWaalsContact O-N 3.17Å; L185-T188 PolarHBondContact O-OG1 2.98Å
189	L	92.6	Very high	95.8	Very high	67 Å²	67	55 Å²	55	35%	0.351	29%	0.29	S	S	.	.	S	Bend	trans	-122	154.8	-178.6	-60.5	174.1	0	0	0	110.1	L185 E191 V197	L185-L189 HydrophobicContact CD2-CD1 4.1Å; L185-L189 WeakPolarHBondContact O-CB 3.44Å; L185-L189 PolarHBondContact O-N 2.89Å; L189-E191 PolarHBondContact O-N 2.98Å; L189-V197 HydrophobicContact CD1-CG2 4.44Å
190	P	92.1	Very high	95.9	Very high	58 Å²	58	52.3 Å²	52.3	38%	0.377	27%	0.271	S	S	.	.			trans	-52.3	137.9	167.8	-24.5	34	0	0	0	110.5	I97 T192 L193 G194	I97-P190 HydrophobicContact CG1-CG 4.26Å; P190-T192 VanDerWaalsContact C-N 3.34Å; P190-T192 PolarHBondContact O-N 3.44Å; P190-T192 VanDerWaalsContact O-N 3.13Å; P190-L193 HydrophobicContact CB-CD1 4.34Å; P190-L193 HydrophobicContact CG-CD2 4.49Å; P190-L193 WeakPolarHBondContact O-CA 3.41Å; P190-L193 WeakPolarHBondContact O-CB 3.44Å; P190-L193 PolarHBondContact O-N 3.41Å; P190-G194 PolarHBondContact O-N 3.49Å
191	E	92.1	Very high	96.1	Very high	130 Å²	130	48.5 Å²	48.5	61%	0.607	26%	0.255	S	S	*	.	H	α-helix	trans	-48.4	-49.4	-165.9	-176.1	-178.2	172.6	0	0	113.9	L189 L193 G194 T195	L189-E191 PolarHBondContact O-N 2.98Å; E191-L193 VanDerWaalsContact C-N 3.31Å; E191-L193 PolarHBondContact O-N 3.07Å; E191-G194 PolarHBondContact O-N 3.37Å; E191-T195 VanDerWaalsContact O-CB 3.27Å; E191-T195 WeakPolarHBondContact O-CB 3.25Å; E191-T195 PolarHBondContact O-N 2.87Å; E191-T195 PolarHBondContact O-OG1 3.03Å
192	T	94.6	Very high	96.2	Very high	22 Å²	22	45.1 Å²	45.1	14%	0.135	24%	0.24	C	C	.	.	H	α-helix	trans	-64.3	-35.4	-179.8	-48.2	0	0	0	0	112.5	T89 L90 P190 S196	T89-T192 HydrophobicContact CG2-CG2 3.98Å; L90-T192 HydrophobicContact CD1-CG2 4.27Å; L90-T192 HydrophobicContact CD2-CG2 3.86Å; L90-T192 HydrophobicContact CG-CG2 3.71Å; P190-T192 VanDerWaalsContact C-N 3.34Å; P190-T192 PolarHBondContact O-N 3.44Å; P190-T192 VanDerWaalsContact O-N 3.13Å; T192-S196 WeakPolarHBondContact O-CB 3.43Å; T192-S196 PolarHBondContact O-N 3.13Å; T192-S196 PolarHBondContact O-OG 3.37Å
193	L	95.4	Very high	96.3	Very high	17 Å²	17	42.5 Å²	42.5	9%	0.089	23%	0.232	C	C	.	.	H	α-helix	trans	-75.2	-47.3	179.8	-79.8	66	0	0	0	110.6	T95 I97 I107 L115 P190 E191 T195 S196 V197	T95-L193 HydrophobicContact CG2-CD1 4.12Å; I97-L193 HydrophobicContact CD1-CD2 3.5Å; I97-L193 VanDerWaalsContact CD1-CD2 3.5Å; I97-L193 HydrophobicContact CG1-CD2 4.09Å; I107-L193 HydrophobicContact CG1-CD1 4.42Å; I107-L193 HydrophobicContact CG2-CD1 4.34Å; L115-L193 HydrophobicContact CD1-CB 4.14Å; L115-L193 HydrophobicContact CD1-CG 3.87Å; P190-L193 HydrophobicContact CB-CD1 4.34Å; P190-L193 HydrophobicContact CG-CD2 4.49Å; P190-L193 WeakPolarHBondContact O-CA 3.41Å; P190-L193 WeakPolarHBondContact O-CB 3.44Å; P190-L193 PolarHBondContact O-N 3.41Å; E191-L193 VanDerWaalsContact C-N 3.31Å; E191-L193 PolarHBondContact O-N 3.07Å; L193-T195 VanDerWaalsContact C-N 3.32Å; L193-T195 PolarHBondContact O-N 3.37Å; L193-S196 WeakPolarHBondContact O-CB 3.37Å; L193-S196 PolarHBondContact O-N 2.91Å; L193-S196 VanDerWaalsContact O-N 3.13Å; L193-V197 WeakPolarHBondContact O-CG2 3.41Å; L193-V197 PolarHBondContact O-N 3.12Å
194	G	96.9	Very high	96.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58.3	-44.8	175.2	0	0	0	0	0	111.7	P190 E191 S196 V197 F198	P190-G194 PolarHBondContact O-N 3.49Å; E191-G194 PolarHBondContact O-N 3.37Å; G194-S196 PolarHBondContact O-N 2.81Å; G194-V197 PolarHBondContact O-N 2.87Å; G194-F198 WeakPolarHBondContact O-CB 3.25Å; G194-F198 PolarHBondContact O-N 3.24Å
195	T	97.8	Very high	96.5	Very high	4 Å²	4	35.5 Å²	35.5	3%	0.025	19%	0.191	C	C	.	.	H	α-helix	trans	-63.7	-39	174.9	-53.4	0	0	0	0	111.7	L82 C86 Y182 E191 L193 V197 F198 V199	L82-T195 HydrophobicContact CB-CG2 4.3Å; L82-T195 HydrophobicContact CD1-CG2 4.42Å; L82-T195 HydrophobicContact CD2-CG2 4.34Å; C86-T195 WeakPolarHBondContact SG-CG2 3.38Å; Y182-T195 HydrophobicContact CE2-CG2 4.17Å; E191-T195 VanDerWaalsContact O-CB 3.27Å; E191-T195 WeakPolarHBondContact O-CB 3.25Å; E191-T195 PolarHBondContact O-N 2.87Å; E191-T195 PolarHBondContact O-OG1 3.03Å; L193-T195 VanDerWaalsContact C-N 3.32Å; L193-T195 PolarHBondContact O-N 3.37Å; T195-V197 PolarHBondContact O-N 3.04Å; T195-F198 WeakPolarHBondContact O-CB 3.38Å; T195-F198 PolarHBondContact O-N 2.8Å; T195-V199 HydrophobicContact CG2-CG2 4.23Å; T195-V199 WeakPolarHBondContact O-CB 3.36Å; T195-V199 WeakPolarHBondContact O-CG2 3.42Å; T195-V199 PolarHBondContact O-N 3.37Å
196	S	98.1	Very high	96.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.3	-43.2	177.2	-61.4	0	0	0	0	112.4	C86 T192 L193 G194 G200	C86-S196 WeakPolarHBondContact CB-OG 3.25Å; T192-S196 WeakPolarHBondContact O-CB 3.43Å; T192-S196 PolarHBondContact O-N 3.13Å; T192-S196 PolarHBondContact O-OG 3.37Å; L193-S196 WeakPolarHBondContact O-CB 3.37Å; L193-S196 PolarHBondContact O-N 2.91Å; L193-S196 VanDerWaalsContact O-N 3.13Å; G194-S196 PolarHBondContact O-N 2.81Å; S196-G200 PolarHBondContact O-N 3.35Å
197	V	98.5	Very high	96.8	Very high	12 Å²	12	34.2 Å²	34.2	7%	0.073	18%	0.183	C	C	.	.	H	α-helix	trans	-65.9	-45.1	174.5	176.7	0	0	0	0	110.5	L115 G119 L122 L185 L189 L193 G194 T195 V199 G200 G201	L115-V197 HydrophobicContact CB-CG2 4.05Å; L115-V197 HydrophobicContact CD2-CG2 3.96Å; G119-V197 VanDerWaalsContact CA-O 3.25Å; G119-V197 WeakPolarHBondContact CA-O 3.38Å; L122-V197 HydrophobicContact CD1-CG1 4.05Å; L185-V197 HydrophobicContact CD1-CG1 4.34Å; L185-V197 HydrophobicContact CD2-CG1 4.19Å; L189-V197 HydrophobicContact CD1-CG2 4.44Å; L193-V197 WeakPolarHBondContact O-CG2 3.41Å; L193-V197 PolarHBondContact O-N 3.12Å; G194-V197 PolarHBondContact O-N 2.87Å; T195-V197 PolarHBondContact O-N 3.04Å; V197-V199 VanDerWaalsContact C-N 3.34Å; V197-V199 PolarHBondContact O-N 3.31Å; V197-G200 PolarHBondContact O-N 3.01Å; V197-G201 PolarHBondContact O-N 3.2Å
198	F	98.6	Very high	97	Very high	16 Å²	16	26.2 Å²	26.2	7%	0.07	15%	0.148	C	C	.	.	H	α-helix	trans	-56.3	-46.9	178	169.1	-104.5	0	0	0	112.2	L82 V178 Y182 L185 G194 T195 G200 G201 L202	L82-F198 HydrophobicContact CD1-CD1 4.11Å; L82-F198 HydrophobicContact CD1-CE1 3.8Å; V178-F198 HydrophobicContact CG1-CE2 3.73Å; V178-F198 HydrophobicContact CG1-CZ 3.55Å; Y182-F198 HydrophobicContact CD2-CB 4.15Å; Y182-F198 AromaticContact CD2-CD1 3.52Å; Y182-F198 HydrophobicContact CD2-CD1 3.52Å; Y182-F198 HydrophobicContact CD2-CD2 4.03Å; Y182-F198 AromaticContact CD2-CE1 3.85Å; Y182-F198 HydrophobicContact CD2-CE1 3.85Å; Y182-F198 HydrophobicContact CD2-CE2 4.33Å; Y182-F198 AromaticContact CD2-CG 3.61Å; Y182-F198 HydrophobicContact CD2-CG 3.61Å; Y182-F198 HydrophobicContact CD2-CZ 4.23Å; Y182-F198 HydrophobicContact CE2-CD1 4.14Å; Y182-F198 HydrophobicContact CG-CD1 4.4Å; Y182-F198 HydrophobicContact CG-CD2 4.41Å; Y182-F198 HydrophobicContact CG-CE1 4.37Å; Y182-F198 HydrophobicContact CG-CE2 4.39Å; Y182-F198 HydrophobicContact CG-CG 4.41Å; Y182-F198 HydrophobicContact CG-CZ 4.36Å; L185-F198 HydrophobicContact CD1-CB 3.66Å; L185-F198 HydrophobicContact CD1-CD2 4.41Å; G194-F198 WeakPolarHBondContact O-CB 3.25Å; G194-F198 PolarHBondContact O-N 3.24Å; T195-F198 WeakPolarHBondContact O-CB 3.38Å; T195-F198 PolarHBondContact O-N 2.8Å; F198-G200 VanDerWaalsContact C-N 3.31Å; F198-G200 PolarHBondContact O-N 3.17Å; F198-G201 PolarHBondContact O-N 3.34Å; F198-G201 VanDerWaalsContact O-N 3.14Å; F198-L202 HydrophobicContact CE1-CD2 4.1Å; F198-L202 HydrophobicContact CZ-CB 4.4Å; F198-L202 HydrophobicContact CZ-CD2 4.08Å; F198-L202 WeakPolarHBondContact O-CB 3.47Å; F198-L202 PolarHBondContact O-N 3.46Å
199	V	98.5	Very high	97.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.6	-39.9	-178.8	171.4	0	0	0	0	111.6	V79 L82 F116 T195 V197 L202 C203	V79-V199 HydrophobicContact CG1-CG1 4.03Å; V79-V199 WeakPolarHBondContact O-CG1 3.26Å; L82-V199 HydrophobicContact CB-CG2 3.27Å; L82-V199 HydrophobicContact CD1-CG2 4.05Å; L82-V199 HydrophobicContact CG-CG2 4.32Å; F116-V199 HydrophobicContact CD2-CG1 4.02Å; F116-V199 HydrophobicContact CE2-CG1 3.89Å; T195-V199 HydrophobicContact CG2-CG2 4.23Å; T195-V199 WeakPolarHBondContact O-CB 3.36Å; T195-V199 WeakPolarHBondContact O-CG2 3.42Å; T195-V199 PolarHBondContact O-N 3.37Å; V197-V199 VanDerWaalsContact C-N 3.34Å; V197-V199 PolarHBondContact O-N 3.31Å; V199-L202 PolarHBondContact O-N 3.34Å; V199-C203 WeakPolarHBondContact O-CB 3.19Å; V199-C203 PolarHBondContact O-N 3.45Å
200	G	98.7	Very high	97.5	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.5	-46	172.1	0	0	0	0	0	112.8	F116 S196 V197 F198 C203 G204	F116-G200 VanDerWaalsContact O-CA 3.25Å; F116-G200 WeakPolarHBondContact O-CA 3.44Å; S196-G200 PolarHBondContact O-N 3.35Å; V197-G200 PolarHBondContact O-N 3.01Å; F198-G200 VanDerWaalsContact C-N 3.31Å; F198-G200 PolarHBondContact O-N 3.17Å; G200-C203 PolarHBondContact O-N 2.98Å; G200-G204 PolarHBondContact O-N 3.49Å
201	G	98.7	Very high	97.7	Very high	14 Å²	14	18.9 Å²	18.9	14%	0.144	10%	0.101	C	C	.	.	H	α-helix	trans	-65.3	-41.5	177.3	0	0	0	0	0	113.3	G119 V197 F198 C203 G204 Y205	G119-G201 VanDerWaalsContact C-N 3.33Å; G119-G201 VanDerWaalsContact O-CA 3.25Å; G119-G201 WeakPolarHBondContact O-CA 3.45Å; V197-G201 PolarHBondContact O-N 3.2Å; F198-G201 PolarHBondContact O-N 3.34Å; F198-G201 VanDerWaalsContact O-N 3.14Å; G201-C203 VanDerWaalsContact C-N 3.32Å; G201-C203 PolarHBondContact O-N 3.39Å; G201-G204 PolarHBondContact O-N 3.23Å; G201-Y205 PolarHBondContact O-N 3.4Å
202	L	98.8	Very high	98	Very high	6 Å²	6	12.9 Å²	12.9	3%	0.031	7%	0.073	C	C	.	.	H	α-helix	trans	-63.4	-39.3	175.7	-178.3	64.3	0	0	0	111.4	W75 I78 V79 V178 F198 V199 Y205 V206	W75-L202 HydrophobicContact CB-CD1 4.4Å; W75-L202 HydrophobicContact CD2-CD1 4.11Å; W75-L202 HydrophobicContact CE3-CD1 3.81Å; W75-L202 HydrophobicContact CE3-CD2 4.26Å; W75-L202 HydrophobicContact CG-CD1 4.35Å; I78-L202 HydrophobicContact CB-CD2 4.22Å; I78-L202 HydrophobicContact CG2-CD2 3.76Å; V79-L202 HydrophobicContact CG2-CB 4.15Å; V79-L202 HydrophobicContact CG2-CD2 3.76Å; V79-L202 HydrophobicContact CG2-CG 3.76Å; V178-L202 HydrophobicContact CG1-CD1 4Å; V178-L202 HydrophobicContact CG2-CD1 4.11Å; F198-L202 HydrophobicContact CE1-CD2 4.1Å; F198-L202 HydrophobicContact CZ-CB 4.4Å; F198-L202 HydrophobicContact CZ-CD2 4.08Å; F198-L202 WeakPolarHBondContact O-CB 3.47Å; F198-L202 PolarHBondContact O-N 3.46Å; V199-L202 PolarHBondContact O-N 3.34Å; L202-Y205 HydrophobicContact CD1-CD1 4.03Å; L202-Y205 WeakPolarHBondContact O-CB 3.41Å; L202-Y205 PolarHBondContact O-N 3.33Å; L202-V206 WeakPolarHBondContact O-CG2 3.32Å; L202-V206 PolarHBondContact O-N 3.37Å; L202-V206 VanDerWaalsContact O-N 3.08Å
203	C	98.8	Very high	98.1	Very high	18 Å²	18	14.1 Å²	14.1	12%	0.122	8%	0.075	C	C	.	.	H	α-helix	trans	-65.4	-42.4	174	-163.4	0	0	0	0	111.6	V79 F116 W120 V199 G200 G201 Y205 V206 V207	V79-C203 HydrophobicContact CG1-CB 3.9Å; V79-C203 HydrophobicContact CG2-CB 4.17Å; F116-C203 HydrophobicContact CE2-CB 4.12Å; F116-C203 HydrophobicContact CZ-CB 3.68Å; W120-C203 HydrophobicContact CE3-CB 3.99Å; W120-C203 HydrophobicContact CZ3-CB 3.9Å; W120-C203 WeakPolarHBondContact CZ3-SG 3.47Å; V199-C203 WeakPolarHBondContact O-CB 3.19Å; V199-C203 PolarHBondContact O-N 3.45Å; G200-C203 PolarHBondContact O-N 2.98Å; G201-C203 VanDerWaalsContact C-N 3.32Å; G201-C203 PolarHBondContact O-N 3.39Å; C203-Y205 VanDerWaalsContact C-N 3.31Å; C203-Y205 PolarHBondContact O-N 3.35Å; C203-V206 PolarHBondContact O-N 3.35Å; C203-V207 PolarHBondContact O-N 3.22Å
204	G	98.6	Very high	98.2	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.01	9%	0.088	C	C	.	.	H	α-helix	trans	-54.5	-45	171.1	0	0	0	0	0	112.5	W123 G200 G201 V207 Y208	W123-G204 PolarHBondContact NE1-O 3.46Å; G200-G204 PolarHBondContact O-N 3.49Å; G201-G204 PolarHBondContact O-N 3.23Å; G204-V207 PolarHBondContact O-N 3.25Å; G204-Y208 WeakPolarHBondContact O-CB 3.42Å; G204-Y208 PolarHBondContact O-N 3.4Å
205	Y	98.6	Very high	98.2	Very high	12 Å²	12	17.9 Å²	17.9	5%	0.047	9%	0.089	C	C	.	.	H	α-helix	trans	-58.8	-47.5	174.8	161.7	-114.4	0	0	0	113.2	V71 W75 W123 G201 L202 C203 V207 Y208 D209	V71-Y205 HydrophobicContact CG1-CE1 4.3Å; W75-Y205 AromaticContact CD1-CE1 3.61Å; W75-Y205 HydrophobicContact CD2-CE1 4.47Å; W75-Y205 HydrophobicContact CG-CE1 4.21Å; W75-Y205 AromaticContact NE1-CE1 3.56Å; W123-Y205 AromaticContact CH2-CD2 3.48Å; W123-Y205 HydrophobicContact CH2-CD2 3.48Å; W123-Y205 VanDerWaalsContact CH2-CD2 3.48Å; W123-Y205 AromaticContact CH2-CG 3.95Å; W123-Y205 HydrophobicContact CH2-CG 3.95Å; W123-Y205 AromaticContact CZ2-CD2 3.65Å; W123-Y205 HydrophobicContact CZ2-CD2 3.65Å; W123-Y205 HydrophobicContact CZ2-CG 4.16Å; W123-Y205 HydrophobicContact CZ3-CD2 4.25Å; W123-Y205 HydrophobicContact CZ3-CG 4.31Å; G201-Y205 PolarHBondContact O-N 3.4Å; L202-Y205 HydrophobicContact CD1-CD1 4.03Å; L202-Y205 WeakPolarHBondContact O-CB 3.41Å; L202-Y205 PolarHBondContact O-N 3.33Å; C203-Y205 VanDerWaalsContact C-N 3.31Å; C203-Y205 PolarHBondContact O-N 3.35Å; Y205-V207 VanDerWaalsContact C-N 3.3Å; Y205-V207 PolarHBondContact O-N 3.35Å; Y205-Y208 HydrophobicContact CD2-CD1 4.15Å; Y205-Y208 HydrophobicContact CE2-CD1 4.48Å; Y205-Y208 WeakPolarHBondContact O-CB 3.26Å; Y205-Y208 PolarHBondContact O-N 3.34Å; Y205-D209 HydrophobicContact CE2-CB 4.4Å; Y205-D209 VanDerWaalsContact CE2-OD2 3.28Å; Y205-D209 WeakPolarHBondContact CE2-OD2 3.32Å; Y205-D209 PolarHBondContact O-N 2.98Å; Y205-D209 PolarHBondContact OH-OD2 3.13Å
206	V	98.7	Very high	98	Very high	5 Å²	5	18.2 Å²	18.2	3%	0.03	9%	0.09	C	C	.	.	H	α-helix	trans	-59.2	-45.8	177.1	175.3	0	0	0	0	110.2	V71 P72 W75 L76 L202 C203 Y208 D209 M210	V71-V206 HydrophobicContact CG1-CG1 4.37Å; V71-V206 HydrophobicContact CG1-CG2 4.34Å; P72-V206 HydrophobicContact CB-CG1 4.31Å; W75-V206 HydrophobicContact CB-CG2 3.38Å; W75-V206 HydrophobicContact CG-CG2 4.15Å; L76-V206 HydrophobicContact CD2-CB 4.48Å; L76-V206 HydrophobicContact CD2-CG1 3.94Å; L76-V206 HydrophobicContact CG-CG1 4.23Å; L202-V206 WeakPolarHBondContact O-CG2 3.32Å; L202-V206 PolarHBondContact O-N 3.37Å; L202-V206 VanDerWaalsContact O-N 3.08Å; C203-V206 PolarHBondContact O-N 3.35Å; V206-Y208 VanDerWaalsContact C-N 3.34Å; V206-Y208 PolarHBondContact O-N 3.37Å; V206-D209 PolarHBondContact O-N 3.2Å; V206-M210 HydrophobicContact CG1-CG 4.4Å; V206-M210 VanDerWaalsContact O-CG 3.25Å; V206-M210 WeakPolarHBondContact O-CG 3.38Å; V206-M210 PolarHBondContact O-N 3.09Å
207	V	98.6	Very high	97.8	Very high	46 Å²	46	21.6 Å²	21.6	28%	0.279	10%	0.104	S	C	.	.	H	α-helix	trans	-65.1	-38.8	178.7	172	0	0	0	0	112	W120 C203 G204 Y205 M210 I211	W120-V207 HydrophobicContact CH2-CB 4.01Å; W120-V207 HydrophobicContact CH2-CG1 4.41Å; W120-V207 HydrophobicContact CH2-CG2 3.4Å; W120-V207 VanDerWaalsContact CH2-CG2 3.4Å; W120-V207 HydrophobicContact CZ2-CB 3.79Å; W120-V207 HydrophobicContact CZ2-CG1 3.89Å; W120-V207 HydrophobicContact CZ2-CG2 3.72Å; W120-V207 HydrophobicContact CZ3-CG2 4.37Å; C203-V207 PolarHBondContact O-N 3.22Å; G204-V207 PolarHBondContact O-N 3.25Å; Y205-V207 VanDerWaalsContact C-N 3.3Å; Y205-V207 PolarHBondContact O-N 3.35Å; V207-M210 PolarHBondContact O-N 3.39Å; V207-I211 HydrophobicContact CG1-CD1 3.6Å; V207-I211 HydrophobicContact CG1-CG1 4.11Å; V207-I211 WeakPolarHBondContact O-CB 3.41Å; V207-I211 VanDerWaalsContact O-CG1 3.31Å; V207-I211 WeakPolarHBondContact O-CG1 3.35Å; V207-I211 PolarHBondContact O-N 3.11Å
208	Y	98.5	Very high	97.5	Very high	15 Å²	15	21.6 Å²	21.6	6%	0.059	11%	0.106	C	C	.	.	H	α-helix	trans	-55.5	-53.9	172.6	155	-94.7	0	0	0	112.1	W123 E127 G204 Y205 V206 M210 I211 H212 I247 T248	W123-Y208 AromaticContact CZ2-CD1 3.63Å; W123-Y208 HydrophobicContact CZ2-CD1 3.63Å; W123-Y208 HydrophobicContact CZ2-CE1 4.31Å; W123-Y208 AromaticContact CZ2-CG 3.82Å; W123-Y208 HydrophobicContact CZ2-CG 3.82Å; W123-Y208 VanDerWaalsContact NE1-CB 3.29Å; W123-Y208 AromaticContact NE1-CG 3.95Å; E127-Y208 HydrophobicContact CB-CD2 4.47Å; E127-Y208 HydrophobicContact CG-CD2 3.48Å; E127-Y208 VanDerWaalsContact CG-CD2 3.48Å; E127-Y208 HydrophobicContact CG-CE2 3.56Å; E127-Y208 HydrophobicContact CG-CG 4.32Å; E127-Y208 WeakPolarHBondContact OE2-CD2 3.27Å; G204-Y208 WeakPolarHBondContact O-CB 3.42Å; G204-Y208 PolarHBondContact O-N 3.4Å; Y205-Y208 HydrophobicContact CD2-CD1 4.15Å; Y205-Y208 HydrophobicContact CE2-CD1 4.48Å; Y205-Y208 WeakPolarHBondContact O-CB 3.26Å; Y205-Y208 PolarHBondContact O-N 3.34Å; V206-Y208 VanDerWaalsContact C-N 3.34Å; V206-Y208 PolarHBondContact O-N 3.37Å; Y208-M210 VanDerWaalsContact C-N 3.26Å; Y208-M210 PolarHBondContact O-N 2.95Å; Y208-I211 PolarHBondContact O-N 2.97Å; Y208-H212 VanDerWaalsContact O-CB 3.31Å; Y208-H212 WeakPolarHBondContact O-CB 3.25Å; Y208-H212 PolarHBondContact O-N 3.07Å; Y208-I247 HydrophobicContact CD2-CB 3.94Å; Y208-I247 HydrophobicContact CD2-CG1 4.45Å; Y208-I247 HydrophobicContact CD2-CG2 4.18Å; Y208-I247 HydrophobicContact CE2-CB 3.68Å; Y208-I247 HydrophobicContact CE2-CG1 3.69Å; Y208-I247 HydrophobicContact CE2-CG2 4.04Å; Y208-T248 VanDerWaalsContact CA-CG2 3.48Å; Y208-T248 HydrophobicContact CD2-CG2 4.12Å; Y208-T248 HydrophobicContact CG-CG2 4.42Å
209	D	97.5	Very high	97.3	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.016	14%	0.135	C	C	.	.	H	α-helix	trans	-64.5	-35.4	-176.9	-105.1	-1.9	0	0	0	110.9	V71 V168 F169 Y205 V206 Y213	V71-D209 HydrophobicContact CG1-CB 3.98Å; V71-D209 HydrophobicContact CG2-CB 4.39Å; V168-D209 HydrophobicContact CG1-CB 4.44Å; F169-D209 PolarHBondContact N-OD2 3.04Å; Y205-D209 HydrophobicContact CE2-CB 4.4Å; Y205-D209 VanDerWaalsContact CE2-OD2 3.28Å; Y205-D209 WeakPolarHBondContact CE2-OD2 3.32Å; Y205-D209 PolarHBondContact O-N 2.98Å; Y205-D209 PolarHBondContact OH-OD2 3.13Å; V206-D209 PolarHBondContact O-N 3.2Å; D209-Y213 WeakPolarHBondContact O-CB 3.48Å; D209-Y213 PolarHBondContact O-N 3.43Å
210	M	98.2	Very high	97.1	Very high	41 Å²	41	25.9 Å²	25.9	20%	0.202	14%	0.138	C	C	.	.	H	α-helix	trans	-71.7	-40.6	177	-64.4	-53.5	87	0	0	112.7	W68 V71 P72 V168 V206 V207 Y208 Y214	W68-M210 HydrophobicContact CE3-SD 3.72Å; W68-M210 HydrophobicContact CZ3-SD 4.28Å; W68-M210 WeakPolarHBondContact O-CE 3.27Å; V71-M210 HydrophobicContact CB-CE 3.73Å; V71-M210 HydrophobicContact CG1-CE 4.08Å; V71-M210 HydrophobicContact CG2-CE 4.13Å; P72-M210 HydrophobicContact CG-SD 4Å; V168-M210 HydrophobicContact CG1-CE 4.19Å; V206-M210 HydrophobicContact CG1-CG 4.4Å; V206-M210 VanDerWaalsContact O-CG 3.25Å; V206-M210 WeakPolarHBondContact O-CG 3.38Å; V206-M210 PolarHBondContact O-N 3.09Å; V207-M210 PolarHBondContact O-N 3.39Å; Y208-M210 VanDerWaalsContact C-N 3.26Å; Y208-M210 PolarHBondContact O-N 2.95Å; M210-Y214 VanDerWaalsContact O-CB 3.25Å; M210-Y214 WeakPolarHBondContact O-CB 3.49Å; M210-Y214 PolarHBondContact O-N 3.36Å
211	I	98.3	Very high	96.9	Very high	34 Å²	34	34.2 Å²	34.2	17%	0.174	17%	0.174	C	C	.	.	H	α-helix	trans	-61.5	-51.4	172.6	-74.6	174.4	0	0	0	108.6	V207 Y208 Y213 Y214 L215 L226 I247 T248	V207-I211 HydrophobicContact CG1-CD1 3.6Å; V207-I211 HydrophobicContact CG1-CG1 4.11Å; V207-I211 WeakPolarHBondContact O-CB 3.41Å; V207-I211 VanDerWaalsContact O-CG1 3.31Å; V207-I211 WeakPolarHBondContact O-CG1 3.35Å; V207-I211 PolarHBondContact O-N 3.11Å; Y208-I211 PolarHBondContact O-N 2.97Å; I211-Y213 VanDerWaalsContact C-N 3.34Å; I211-Y213 PolarHBondContact O-N 2.88Å; I211-Y214 CarbonylContact O-C 3.57Å; I211-Y214 WeakPolarHBondContact O-CA 3.26Å; I211-Y214 WeakPolarHBondContact O-CB 3.38Å; I211-Y214 PolarHBondContact O-N 2.81Å; I211-L215 HydrophobicContact CG2-CD1 4.21Å; I211-L215 HydrophobicContact CG2-CD2 4.3Å; I211-L215 HydrophobicContact CG2-CG 4.07Å; I211-L215 WeakPolarHBondContact O-CG 3.49Å; I211-L215 PolarHBondContact O-N 3Å; I211-L226 HydrophobicContact CG2-CD2 4.36Å; I211-I247 HydrophobicContact CG2-CG2 4.46Å; I211-T248 HydrophobicContact CD1-CG2 4.1Å
212	H	97.9	Very high	96.7	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.019	19%	0.194	C	C	.	.	H	α-helix	trans	-53.6	-51.1	-179.6	-169.8	-165.3	0	0	0	111.5	H157 L167 Y208 Y214 L215 H216 H233 I247	H157-H212 AromaticContact CD2-CE1 3.85Å; H157-H212 AromaticContact CE1-NE2 3.8Å; H157-H212 AromaticContact NE2-CE1 3.34Å; H157-H212 PolarHBondContact NE2-CE1 3.19Å; H157-H212 VanDerWaalsContact NE2-CE1 3.34Å; H157-H212 AromaticContact NE2-NE2 3.11Å; H157-H212 PolarHBondContact NE2-NE2 2.88Å; H157-H212 VanDerWaalsContact NE2-NE2 3.11Å; L167-H212 HydrophobicContact CD2-CB 4.34Å; Y208-H212 VanDerWaalsContact O-CB 3.31Å; Y208-H212 WeakPolarHBondContact O-CB 3.25Å; Y208-H212 PolarHBondContact O-N 3.07Å; H212-Y214 VanDerWaalsContact C-N 3.32Å; H212-Y214 PolarHBondContact O-N 3.38Å; H212-L215 PolarHBondContact O-N 3.19Å; H212-L215 VanDerWaalsContact O-N 3.17Å; H212-H216 AromaticContact CD2-CD2 3.77Å; H212-H216 AromaticContact CD2-NE2 3.85Å; H212-H216 AromaticContact NE2-CD2 3.87Å; H212-H216 AromaticContact NE2-NE2 3.53Å; H212-H216 PolarHBondContact O-CD2 3.03Å; H212-H216 PolarHBondContact O-N 3.14Å; H212-H233 AromaticContact CD2-CD2 3.95Å; H212-H233 AromaticContact CD2-CE1 3.97Å; H212-H233 AromaticContact CD2-NE2 3.31Å; H212-H233 PolarHBondContact CD2-NE2 3.04Å; H212-H233 VanDerWaalsContact CD2-NE2 3.31Å; H212-H233 AromaticContact NE2-CE1 3.56Å; H212-H233 AromaticContact NE2-NE2 3.04Å; H212-H233 PolarHBondContact NE2-NE2 3.41Å; H212-I247 HydrophobicContact CB-CG2 3.74Å
213	Y	97.2	Very high	96.4	Very high	49 Å²	49	44 Å²	44	19%	0.192	23%	0.229	C	C	.	.	H	α-helix	trans	-58.9	-43.1	175.6	-173.3	-90.8	0	0	0	112.3	W68 L167 V168 D209 I211 L215 H216 Y217	W68-Y213 HydrophobicContact CB-CD1 3.79Å; W68-Y213 HydrophobicContact CB-CD2 3.66Å; W68-Y213 HydrophobicContact CB-CE1 3.86Å; W68-Y213 HydrophobicContact CB-CE2 3.72Å; W68-Y213 HydrophobicContact CB-CG 3.7Å; W68-Y213 AromaticContact CD1-CE1 3.58Å; W68-Y213 AromaticContact CD1-CZ 3.47Å; W68-Y213 VanDerWaalsContact CD1-CZ 3.47Å; W68-Y213 HydrophobicContact CD2-CE1 4.48Å; W68-Y213 AromaticContact CG-CD1 4Å; W68-Y213 HydrophobicContact CG-CD1 4Å; W68-Y213 AromaticContact CG-CE1 3.71Å; W68-Y213 HydrophobicContact CG-CE1 3.71Å; W68-Y213 HydrophobicContact CG-CE2 4.24Å; W68-Y213 HydrophobicContact CG-CG 4.4Å; W68-Y213 AromaticContact CG-CZ 3.83Å; L167-Y213 HydrophobicContact CB-CD2 4.4Å; L167-Y213 HydrophobicContact CD1-CD2 4.11Å; L167-Y213 HydrophobicContact CD2-CD2 4.15Å; L167-Y213 HydrophobicContact CG-CD2 4.46Å; V168-Y213 HydrophobicContact CG1-CD2 4.16Å; D209-Y213 WeakPolarHBondContact O-CB 3.48Å; D209-Y213 PolarHBondContact O-N 3.43Å; I211-Y213 VanDerWaalsContact C-N 3.34Å; I211-Y213 PolarHBondContact O-N 2.88Å; Y213-L215 VanDerWaalsContact C-N 3.34Å; Y213-L215 PolarHBondContact O-N 2.91Å; Y213-H216 PolarHBondContact O-N 3.23Å; Y213-Y217 HydrophobicContact CD1-CD2 4.2Å; Y213-Y217 AromaticContact CD2-CD2 3.81Å; Y213-Y217 HydrophobicContact CD2-CD2 3.81Å; Y213-Y217 HydrophobicContact CD2-CE2 4.06Å; Y213-Y217 AromaticContact CE1-CD2 3.91Å; Y213-Y217 HydrophobicContact CE1-CD2 3.91Å; Y213-Y217 HydrophobicContact CE1-CG 4.19Å; Y213-Y217 AromaticContact CE2-CD2 3.51Å; Y213-Y217 HydrophobicContact CE2-CD2 3.51Å; Y213-Y217 AromaticContact CE2-CE2 3.67Å; Y213-Y217 HydrophobicContact CE2-CE2 3.67Å; Y213-Y217 HydrophobicContact CE2-CG 4.38Å; Y213-Y217 HydrophobicContact CG-CD2 4.15Å; Y213-Y217 AromaticContact CZ-CD2 3.56Å; Y213-Y217 AromaticContact CZ-CG 3.98Å; Y213-Y217 WeakPolarHBondContact O-CD2 3.44Å; Y213-Y217 PolarHBondContact O-N 3.06Å
214	Y	97.1	Very high	96.3	Very high	93 Å²	93	44.9 Å²	44.9	37%	0.365	24%	0.235	S	C	.	.	H	α-helix	trans	-66.6	-30.7	177.9	-173.5	-107.3	0	0	0	113.2	M210 I211 H212 H216 G218 P220 L226	M210-Y214 VanDerWaalsContact O-CB 3.25Å; M210-Y214 WeakPolarHBondContact O-CB 3.49Å; M210-Y214 PolarHBondContact O-N 3.36Å; I211-Y214 CarbonylContact O-C 3.57Å; I211-Y214 WeakPolarHBondContact O-CA 3.26Å; I211-Y214 WeakPolarHBondContact O-CB 3.38Å; I211-Y214 PolarHBondContact O-N 2.81Å; H212-Y214 VanDerWaalsContact C-N 3.32Å; H212-Y214 PolarHBondContact O-N 3.38Å; Y214-H216 VanDerWaalsContact C-N 3.3Å; Y214-H216 PolarHBondContact O-N 3.44Å; Y214-G218 WeakPolarHBondContact O-CA 3.42Å; Y214-G218 PolarHBondContact O-N 3.14Å; Y214-P220 HydrophobicContact CE1-CB 4.03Å; Y214-L226 HydrophobicContact CD1-CD1 4.16Å; Y214-L226 HydrophobicContact CE1-CD1 3.88Å
215	L	96.4	Very high	96.2	Very high	2 Å²	2	51 Å²	51	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-65.3	-35.6	174.6	-61.4	-171.1	0	0	0	111.3	I211 H212 Y213 L226 L229 K230 H233 I247	I211-L215 HydrophobicContact CG2-CD1 4.21Å; I211-L215 HydrophobicContact CG2-CD2 4.3Å; I211-L215 HydrophobicContact CG2-CG 4.07Å; I211-L215 WeakPolarHBondContact O-CG 3.49Å; I211-L215 PolarHBondContact O-N 3Å; H212-L215 PolarHBondContact O-N 3.19Å; H212-L215 VanDerWaalsContact O-N 3.17Å; Y213-L215 VanDerWaalsContact C-N 3.34Å; Y213-L215 PolarHBondContact O-N 2.91Å; L215-L226 HydrophobicContact CD2-CD2 4.48Å; L215-L229 HydrophobicContact CD1-CB 4.12Å; L215-L229 HydrophobicContact CD2-CB 3.99Å; L215-K230 HydrophobicContact CD2-CB 4.03Å; L215-K230 WeakPolarHBondContact O-CD 3.21Å; L215-K230 WeakPolarHBondContact O-CE 3.33Å; L215-K230 WeakPolarHBondContact O-CG 3.32Å; L215-H233 HydrophobicContact CD1-CB 3.83Å; L215-I247 HydrophobicContact CD1-CG2 4.15Å
216	H	94.7	Very high	96.1	Very high	12 Å²	12	53 Å²	53	6%	0.056	27%	0.27	C	S	.	.	H	α-helix	trans	-77	-47.6	176.3	-77.1	-97.3	0	0	0	113	H157 P161 L167 H212 Y213 Y214 H233 H237	H157-H216 AromaticContact CE1-CD2 3.98Å; H157-H216 AromaticContact CE1-CE1 3.35Å; H157-H216 PolarHBondContact CE1-CE1 2.99Å; H157-H216 AromaticContact CE1-ND1 3.98Å; H157-H216 AromaticContact CE1-NE2 3.33Å; H157-H216 PolarHBondContact CE1-NE2 2.77Å; H157-H216 VanDerWaalsContact CE1-NE2 3.33Å; H157-H216 AromaticContact NE2-CE1 3.69Å; H157-H216 AromaticContact NE2-NE2 3.4Å; H157-H216 PolarHBondContact NE2-NE2 3.4Å; P161-H216 PolarHBondContact O-ND1 3.15Å; L167-H216 HydrophobicContact CD1-CB 3.64Å; H212-H216 AromaticContact CD2-CD2 3.77Å; H212-H216 AromaticContact CD2-NE2 3.85Å; H212-H216 AromaticContact NE2-CD2 3.87Å; H212-H216 AromaticContact NE2-NE2 3.53Å; H212-H216 PolarHBondContact O-CD2 3.03Å; H212-H216 PolarHBondContact O-N 3.14Å; Y213-H216 PolarHBondContact O-N 3.23Å; Y214-H216 VanDerWaalsContact C-N 3.3Å; Y214-H216 PolarHBondContact O-N 3.44Å; H216-H233 AromaticContact CD2-CD2 3.77Å; H216-H233 AromaticContact CD2-NE2 3.7Å; H216-H233 AromaticContact CE1-NE2 3.86Å; H216-H233 AromaticContact NE2-CD2 3.24Å; H216-H233 PolarHBondContact NE2-CD2 2.85Å; H216-H233 AromaticContact NE2-NE2 2.87Å; H216-H233 PolarHBondContact NE2-NE2 3.45Å; H216-H237 AromaticContact CE1-CD2 3.65Å; H216-H237 AromaticContact CE1-NE2 3.35Å; H216-H237 PolarHBondContact CE1-NE2 3.05Å; H216-H237 VanDerWaalsContact CE1-NE2 3.35Å; H216-H237 AromaticContact NE2-CD2 3.84Å; H216-H237 AromaticContact NE2-NE2 3.35Å; H216-H237 PolarHBondContact NE2-NE2 3.01Å
217	Y	93.1	Very high	96	Very high	71 Å²	71	57.2 Å²	57.2	28%	0.278	29%	0.286	S	S	.	.	H	α-helix	trans	-106.7	-18.5	-167.9	-67	-78.4	0	0	0	115.1	Y162 D163 G164 L167 Y213	Y162-Y217 WeakPolarHBondContact CA-OH 3.46Å; Y162-Y217 PolarHBondContact O-OH 3.38Å; D163-Y217 PolarHBondContact N-OH 3.07Å; G164-Y217 WeakPolarHBondContact CA-OH 3.28Å; G164-Y217 PolarHBondContact N-OH 2.98Å; L167-Y217 HydrophobicContact CD1-CD2 4.17Å; L167-Y217 HydrophobicContact CD1-CE2 3.67Å; Y213-Y217 HydrophobicContact CD1-CD2 4.2Å; Y213-Y217 AromaticContact CD2-CD2 3.81Å; Y213-Y217 HydrophobicContact CD2-CD2 3.81Å; Y213-Y217 HydrophobicContact CD2-CE2 4.06Å; Y213-Y217 AromaticContact CE1-CD2 3.91Å; Y213-Y217 HydrophobicContact CE1-CD2 3.91Å; Y213-Y217 HydrophobicContact CE1-CG 4.19Å; Y213-Y217 AromaticContact CE2-CD2 3.51Å; Y213-Y217 HydrophobicContact CE2-CD2 3.51Å; Y213-Y217 AromaticContact CE2-CE2 3.67Å; Y213-Y217 HydrophobicContact CE2-CE2 3.67Å; Y213-Y217 HydrophobicContact CE2-CG 4.38Å; Y213-Y217 HydrophobicContact CG-CD2 4.15Å; Y213-Y217 AromaticContact CZ-CD2 3.56Å; Y213-Y217 AromaticContact CZ-CG 3.98Å; Y213-Y217 WeakPolarHBondContact O-CD2 3.44Å; Y213-Y217 PolarHBondContact O-N 3.06Å
218	G	92.8	Very high	95.8	Very high	12 Å²	12	58.2 Å²	58.2	12%	0.124	30%	0.295	C	S	.	.			trans	-80.1	163.2	179.8	0	0	0	0	0	113	Y214 P220 K230	Y214-G218 WeakPolarHBondContact O-CA 3.42Å; Y214-G218 PolarHBondContact O-N 3.14Å; G218-P220 VanDerWaalsContact C-CD 3.49Å; G218-P220 WeakPolarHBondContact O-CD 3.49Å; G218-K230 PolarHBondContact O-NZ 3.49Å
219	S	94.4	Very high	95.8	Very high	97 Å²	97	57.8 Å²	57.8	68%	0.678	29%	0.294	S	S	*	.			trans	-115.6	79.5	169.8	-168.3	0	0	0	0	109.4
220	P	94.4	Very high	95.7	Very high	8 Å²	8	59.7 Å²	59.7	5%	0.052	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-63.1	140.9	177.6	25.6	-33.4	0	0	0	110.5	Y214 G218 R222 L226 Y227 K230	Y214-P220 HydrophobicContact CE1-CB 4.03Å; G218-P220 VanDerWaalsContact C-CD 3.49Å; G218-P220 WeakPolarHBondContact O-CD 3.49Å; P220-R222 PolarHBondContact O-N 3.2Å; P220-L226 HydrophobicContact CB-CB 3.8Å; P220-Y227 HydrophobicContact CG-CD2 4.39Å; P220-Y227 WeakPolarHBondContact O-CD2 3.16Å; P220-K230 HydrophobicContact CG-CB 3.98Å; P220-K230 HydrophobicContact CG-CD 3.75Å; P220-K230 HydrophobicContact CG-CG 4.48Å
221	K	94.5	Very high	95.6	Very high	175 Å²	175	59.9 Å²	59.9	76%	0.761	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-58.2	130.1	179.7	-175.3	179.9	178.5	-178.9	0	110.7	G223 S224 Y227	K221-G223 PolarHBondContact O-N 3.37Å; K221-S224 WeakPolarHBondContact O-CB 3.14Å; K221-S224 PolarHBondContact O-N 3.35Å; K221-S224 PolarHBondContact O-OG 2.77Å; K221-Y227 VanDerWaalsContact O-CB 3.24Å; K221-Y227 WeakPolarHBondContact O-CB 3.32Å
222	R	93.3	Very high	95.5	Very high	152 Å²	152	59.6 Å²	59.6	57%	0.574	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	136.7	175	-68.5	-173.4	-176.9	-173.6	-0.9	111.2	P220 S224 Y227	P220-R222 PolarHBondContact O-N 3.2Å; R222-S224 PolarHBondContact O-N 2.66Å; R222-Y227 HydrophobicContact CB-CE2 4.48Å; R222-Y227 HydrophobicContact CG-CD2 4.17Å; R222-Y227 HydrophobicContact CG-CE2 3.76Å
223	G	93.6	Very high	95.5	Very high	73 Å²	73	59.6 Å²	59.6	75%	0.753	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	-1.3	-176.4	0	0	0	0	0	115.2	K221	K221-G223 PolarHBondContact O-N 3.37Å
224	S	96.4	Very high	95.4	Very high	37 Å²	37	58.5 Å²	58.5	26%	0.259	31%	0.306	S	S	.	.	S	Bend	trans	-77.8	160.7	170.4	70.8	0	0	0	0	111.8	K221 R222 L226 Y227 S228	K221-S224 WeakPolarHBondContact O-CB 3.14Å; K221-S224 PolarHBondContact O-N 3.35Å; K221-S224 PolarHBondContact O-OG 2.77Å; R222-S224 PolarHBondContact O-N 2.66Å; S224-L226 VanDerWaalsContact C-N 3.33Å; S224-L226 PolarHBondContact O-N 2.71Å; S224-Y227 WeakPolarHBondContact O-CB 3.35Å; S224-Y227 PolarHBondContact O-N 2.79Å; S224-Y227 WeakPolarHBondContact OG-CB 3.42Å; S224-Y227 PolarHBondContact OG-N 3.38Å; S224-Y227 VanDerWaalsContact OG-N 3.14Å; S224-S228 PolarHBondContact O-N 3.42Å; S224-S228 VanDerWaalsContact O-N 3.11Å; S224-S228 PolarHBondContact O-OG 2.84Å
225	Y	95.9	Very high	95.3	Very high	129 Å²	129	56.6 Å²	56.6	51%	0.506	30%	0.299	S	S	.	.	H	α-helix	trans	-57	-44.8	172.1	177.1	-109.3	0	0	0	112.1	Y227 S228 L229 T248 T249	Y225-Y227 VanDerWaalsContact C-N 3.28Å; Y225-Y227 PolarHBondContact O-N 3Å; Y225-S228 WeakPolarHBondContact O-CB 3.3Å; Y225-S228 PolarHBondContact O-N 3.47Å; Y225-S228 VanDerWaalsContact O-N 3.11Å; Y225-L229 HydrophobicContact CD1-CD1 3.84Å; Y225-L229 HydrophobicContact CD1-CG 4.36Å; Y225-L229 HydrophobicContact CE1-CD1 3.25Å; Y225-L229 HydrophobicContact CE1-CG 3.93Å; Y225-L229 HydrophobicContact CE2-CD1 4.42Å; Y225-L229 HydrophobicContact CE2-CD2 4.43Å; Y225-L229 HydrophobicContact CE2-CG 4.25Å; Y225-L229 PolarHBondContact O-N 3.26Å; Y225-T248 PolarHBondContact OH-O 3.35Å; Y225-T249 VanDerWaalsContact OH-CA 3.27Å; Y225-T249 WeakPolarHBondContact OH-CA 3.38Å; Y225-T249 WeakPolarHBondContact OH-CB 3.45Å; Y225-T249 PolarHBondContact OH-OG1 2.85Å
226	L	96.7	Very high	95.3	Very high	56 Å²	56	56.5 Å²	56.5	29%	0.293	30%	0.299	S	S	.	.	H	α-helix	trans	-65.1	-29.7	177.4	-70.3	173.9	0	0	0	113	I211 Y214 L215 P220 S224 L229 K230	I211-L226 HydrophobicContact CG2-CD2 4.36Å; Y214-L226 HydrophobicContact CD1-CD1 4.16Å; Y214-L226 HydrophobicContact CE1-CD1 3.88Å; L215-L226 HydrophobicContact CD2-CD2 4.48Å; P220-L226 HydrophobicContact CB-CB 3.8Å; S224-L226 VanDerWaalsContact C-N 3.33Å; S224-L226 PolarHBondContact O-N 2.71Å; L226-L229 HydrophobicContact CD2-CD1 4.26Å; L226-K230 WeakPolarHBondContact O-CB 2.95Å; L226-K230 PolarHBondContact O-N 2.88Å
227	Y	96.1	Very high	95.4	Very high	93 Å²	93	56 Å²	56	37%	0.365	30%	0.296	S	S	.	.	H	α-helix	trans	-67.6	-41.7	173	178.4	-90.8	0	0	0	111.2	P220 K221 R222 S224 Y225 K230 A231	P220-Y227 HydrophobicContact CG-CD2 4.39Å; P220-Y227 WeakPolarHBondContact O-CD2 3.16Å; K221-Y227 VanDerWaalsContact O-CB 3.24Å; K221-Y227 WeakPolarHBondContact O-CB 3.32Å; R222-Y227 HydrophobicContact CB-CE2 4.48Å; R222-Y227 HydrophobicContact CG-CD2 4.17Å; R222-Y227 HydrophobicContact CG-CE2 3.76Å; S224-Y227 WeakPolarHBondContact O-CB 3.35Å; S224-Y227 PolarHBondContact O-N 2.79Å; S224-Y227 WeakPolarHBondContact OG-CB 3.42Å; S224-Y227 PolarHBondContact OG-N 3.38Å; S224-Y227 VanDerWaalsContact OG-N 3.14Å; Y225-Y227 VanDerWaalsContact C-N 3.28Å; Y225-Y227 PolarHBondContact O-N 3Å; Y227-K230 PolarHBondContact O-N 2.79Å; Y227-A231 PolarHBondContact O-N 3.06Å
228	S	95.6	Very high	95.4	Very high	67 Å²	67	54.3 Å²	54.3	47%	0.469	29%	0.29	S	S	.	.	H	α-helix	trans	-64.8	-44	176	-50	0	0	0	0	111.1	S224 Y225 K230 A231 Y232	S224-S228 PolarHBondContact O-N 3.42Å; S224-S228 VanDerWaalsContact O-N 3.11Å; S224-S228 PolarHBondContact O-OG 2.84Å; Y225-S228 WeakPolarHBondContact O-CB 3.3Å; Y225-S228 PolarHBondContact O-N 3.47Å; Y225-S228 VanDerWaalsContact O-N 3.11Å; S228-K230 VanDerWaalsContact C-N 3.34Å; S228-K230 PolarHBondContact O-N 3.39Å; S228-A231 PolarHBondContact O-N 2.97Å; S228-Y232 WeakPolarHBondContact O-CB 3.18Å; S228-Y232 PolarHBondContact O-N 2.92Å
229	L	97.2	Very high	95.4	Very high	5 Å²	5	58.5 Å²	58.5	3%	0.026	31%	0.307	C	S	.	.	H	α-helix	trans	-61.6	-39.6	172.9	-73.6	-179.5	0	0	0	112.5	L215 Y225 L226 Y232 H233 T248 T250	L215-L229 HydrophobicContact CD1-CB 4.12Å; L215-L229 HydrophobicContact CD2-CB 3.99Å; Y225-L229 HydrophobicContact CD1-CD1 3.84Å; Y225-L229 HydrophobicContact CD1-CG 4.36Å; Y225-L229 HydrophobicContact CE1-CD1 3.25Å; Y225-L229 HydrophobicContact CE1-CG 3.93Å; Y225-L229 HydrophobicContact CE2-CD1 4.42Å; Y225-L229 HydrophobicContact CE2-CD2 4.43Å; Y225-L229 HydrophobicContact CE2-CG 4.25Å; Y225-L229 PolarHBondContact O-N 3.26Å; L226-L229 HydrophobicContact CD2-CD1 4.26Å; L229-Y232 PolarHBondContact O-N 3.11Å; L229-H233 VanDerWaalsContact O-CB 3.3Å; L229-H233 WeakPolarHBondContact O-CB 3.49Å; L229-H233 PolarHBondContact O-N 3.08Å; L229-T248 WeakPolarHBondContact CD1-O 3.35Å; L229-T250 HydrophobicContact CD2-CG2 4.17Å
230	K	96.6	Very high	95.4	Very high	44 Å²	44	56.1 Å²	56.1	19%	0.191	29%	0.285	C	S	.	.	H	α-helix	trans	-61.2	-48.4	175.9	176.2	167.7	-174.5	168.9	0	110.9	L215 G218 P220 L226 Y227 S228 Y232 H233 V234	L215-K230 HydrophobicContact CD2-CB 4.03Å; L215-K230 WeakPolarHBondContact O-CD 3.21Å; L215-K230 WeakPolarHBondContact O-CE 3.33Å; L215-K230 WeakPolarHBondContact O-CG 3.32Å; G218-K230 PolarHBondContact O-NZ 3.49Å; P220-K230 HydrophobicContact CG-CB 3.98Å; P220-K230 HydrophobicContact CG-CD 3.75Å; P220-K230 HydrophobicContact CG-CG 4.48Å; L226-K230 WeakPolarHBondContact O-CB 2.95Å; L226-K230 PolarHBondContact O-N 2.88Å; Y227-K230 PolarHBondContact O-N 2.79Å; S228-K230 VanDerWaalsContact C-N 3.34Å; S228-K230 PolarHBondContact O-N 3.39Å; K230-Y232 VanDerWaalsContact C-N 3.34Å; K230-Y232 PolarHBondContact O-N 3.04Å; K230-H233 PolarHBondContact O-N 2.94Å; K230-V234 HydrophobicContact CG-CG2 4.42Å; K230-V234 WeakPolarHBondContact O-CB 3.48Å; K230-V234 VanDerWaalsContact O-CG2 3.25Å; K230-V234 WeakPolarHBondContact O-CG2 3.08Å; K230-V234 PolarHBondContact O-N 2.89Å
231	A	95.2	Very high	95.3	Very high	45 Å²	45	57.8 Å²	57.8	37%	0.372	29%	0.292	S	S	.	.	H	α-helix	trans	-60.5	-45.4	177.4	0	0	0	0	0	111.4	Y227 S228 H233 V234 K235	Y227-A231 PolarHBondContact O-N 3.06Å; S228-A231 PolarHBondContact O-N 2.97Å; A231-H233 PolarHBondContact O-N 3.09Å; A231-V234 PolarHBondContact O-N 3.06Å; A231-K235 WeakPolarHBondContact O-CG 3.44Å; A231-K235 PolarHBondContact O-N 3.38Å
232	Y	96.8	Very high	95.3	Very high	28 Å²	28	60 Å²	60	11%	0.11	30%	0.295	C	S	.	.	H	α-helix	trans	-60.1	-45.8	177.7	-170.2	-99.8	0	0	0	112.4	S228 L229 K230 K235 H236 G244 T250 D253 V259 I260	S228-Y232 WeakPolarHBondContact O-CB 3.18Å; S228-Y232 PolarHBondContact O-N 2.92Å; L229-Y232 PolarHBondContact O-N 3.11Å; K230-Y232 VanDerWaalsContact C-N 3.34Å; K230-Y232 PolarHBondContact O-N 3.04Å; Y232-K235 WeakPolarHBondContact O-CB 3.48Å; Y232-K235 PolarHBondContact O-N 2.98Å; Y232-H236 PolarHBondContact O-N 2.81Å; Y232-G244 WeakPolarHBondContact OH-CA 3.13Å; Y232-T250 HydrophobicContact CD1-CG2 3.82Å; Y232-T250 HydrophobicContact CD2-CG2 4.3Å; Y232-T250 HydrophobicContact CE1-CG2 3.59Å; Y232-T250 HydrophobicContact CE2-CG2 4.11Å; Y232-T250 HydrophobicContact CG-CG2 4.16Å; Y232-D253 PolarHBondContact OH-OD2 3.34Å; Y232-V259 HydrophobicContact CE2-CG1 4.43Å; Y232-V259 WeakPolarHBondContact OH-CA 3.26Å; Y232-I260 HydrophobicContact CD1-CD1 4.33Å; Y232-I260 HydrophobicContact CD2-CB 3.99Å; Y232-I260 HydrophobicContact CD2-CD1 4.14Å; Y232-I260 HydrophobicContact CD2-CG1 4.37Å; Y232-I260 HydrophobicContact CE1-CD1 4.27Å; Y232-I260 HydrophobicContact CE2-CB 3.51Å; Y232-I260 HydrophobicContact CE2-CD1 4.07Å; Y232-I260 HydrophobicContact CE2-CG1 3.86Å; Y232-I260 HydrophobicContact CG-CD1 4.28Å; Y232-I260 VanDerWaalsContact O-CD1 3.23Å; Y232-I260 WeakPolarHBondContact O-CD1 3.21Å; Y232-I260 PolarHBondContact OH-N 2.93Å
233	H	97	Very high	95.5	Very high	4 Å²	4	54 Å²	54	2%	0.019	28%	0.277	C	S	.	.	H	α-helix	trans	-69.9	-35.2	178.6	-171.2	50.6	0	0	0	113.2	H212 L215 H216 L229 K230 A231 H236 H237 I247	H212-H233 AromaticContact CD2-CD2 3.95Å; H212-H233 AromaticContact CD2-CE1 3.97Å; H212-H233 AromaticContact CD2-NE2 3.31Å; H212-H233 PolarHBondContact CD2-NE2 3.04Å; H212-H233 VanDerWaalsContact CD2-NE2 3.31Å; H212-H233 AromaticContact NE2-CE1 3.56Å; H212-H233 AromaticContact NE2-NE2 3.04Å; H212-H233 PolarHBondContact NE2-NE2 3.41Å; L215-H233 HydrophobicContact CD1-CB 3.83Å; H216-H233 AromaticContact CD2-CD2 3.77Å; H216-H233 AromaticContact CD2-NE2 3.7Å; H216-H233 AromaticContact CE1-NE2 3.86Å; H216-H233 AromaticContact NE2-CD2 3.24Å; H216-H233 PolarHBondContact NE2-CD2 2.85Å; H216-H233 AromaticContact NE2-NE2 2.87Å; H216-H233 PolarHBondContact NE2-NE2 3.45Å; L229-H233 VanDerWaalsContact O-CB 3.3Å; L229-H233 WeakPolarHBondContact O-CB 3.49Å; L229-H233 PolarHBondContact O-N 3.08Å; K230-H233 PolarHBondContact O-N 2.94Å; A231-H233 PolarHBondContact O-N 3.09Å; H233-H236 AromaticContact CE1-CD2 3.99Å; H233-H236 AromaticContact ND1-CD2 3.98Å; H233-H236 WeakPolarHBondContact O-CB 3.33Å; H233-H236 PolarHBondContact O-N 3.06Å; H233-H237 AromaticContact CD2-CD2 3.87Å; H233-H237 AromaticContact CD2-NE2 3.94Å; H233-H237 AromaticContact CE1-CD2 3.52Å; H233-H237 AromaticContact CE1-NE2 3.2Å; H233-H237 PolarHBondContact CE1-NE2 2.83Å; H233-H237 AromaticContact NE2-CD2 3.37Å; H233-H237 PolarHBondContact NE2-CD2 3.36Å; H233-H237 AromaticContact NE2-NE2 3.01Å; H233-H237 PolarHBondContact NE2-NE2 3.21Å; H233-H237 PolarHBondContact O-CD2 3.08Å; H233-H237 PolarHBondContact O-N 2.96Å; H233-H237 VanDerWaalsContact O-N 3.12Å; H233-I247 WeakPolarHBondContact CE1-CD1 3.47Å; H233-I247 WeakPolarHBondContact ND1-CD1 3.37Å
234	V	95.3	Very high	95.6	Very high	26 Å²	26	50.6 Å²	50.6	16%	0.158	24%	0.241	C	C	.	.	H	α-helix	trans	-61.9	-47	171	169	0	0	0	0	109.9	P9 L12 K230 A231 H236 H237 F238	P9-V234 HydrophobicContact CB-CG1 4.49Å; P9-V234 HydrophobicContact CG-CG2 4.47Å; L12-V234 HydrophobicContact CD1-CG1 4.32Å; K230-V234 HydrophobicContact CG-CG2 4.42Å; K230-V234 WeakPolarHBondContact O-CB 3.48Å; K230-V234 VanDerWaalsContact O-CG2 3.25Å; K230-V234 WeakPolarHBondContact O-CG2 3.08Å; K230-V234 PolarHBondContact O-N 2.89Å; A231-V234 PolarHBondContact O-N 3.06Å; V234-H236 VanDerWaalsContact C-N 3.26Å; V234-H236 PolarHBondContact O-N 2.7Å; V234-H237 PolarHBondContact O-N 3.17Å; V234-F238 HydrophobicContact CG1-CD2 3.76Å; V234-F238 HydrophobicContact CG1-CE2 4.13Å; V234-F238 VanDerWaalsContact O-CD2 3.25Å; V234-F238 WeakPolarHBondContact O-CD2 3.28Å; V234-F238 PolarHBondContact O-N 2.83Å; V234-F238 VanDerWaalsContact O-N 3.07Å
235	K	95.6	Very high	95.7	Very high	53 Å²	53	49.2 Å²	49.2	23%	0.23	23%	0.231	C	C	.	.	H	α-helix	trans	-57.1	-39.5	174.6	-71.8	-173.7	173.8	-168	0	112.2	A231 Y232 H237 F238 E239 H240 I260	A231-K235 WeakPolarHBondContact O-CG 3.44Å; A231-K235 PolarHBondContact O-N 3.38Å; Y232-K235 WeakPolarHBondContact O-CB 3.48Å; Y232-K235 PolarHBondContact O-N 2.98Å; K235-H237 VanDerWaalsContact C-N 3.34Å; K235-H237 PolarHBondContact O-N 2.71Å; K235-F238 PolarHBondContact O-N 2.79Å; K235-E239 WeakPolarHBondContact O-CA 3.45Å; K235-E239 WeakPolarHBondContact O-CB 3.39Å; K235-E239 PolarHBondContact O-N 3.22Å; K235-H240 PolarHBondContact O-N 3.02Å; K235-I260 HydrophobicContact CB-CD1 3.96Å; K235-I260 HydrophobicContact CB-CG2 4.15Å; K235-I260 HydrophobicContact CD-CG2 3.92Å
236	H	96.8	Very high	95.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-56.2	-45.6	173.4	170.9	71.2	0	0	0	112.4	H131 H136 H158 Y232 H233 V234 H240 Q241 S243 G244 I260	H131-H236 AromaticContact CE1-CD2 3.96Å; H131-H236 AromaticContact CE1-NE2 3.49Å; H131-H236 PolarHBondContact CE1-NE2 3.14Å; H131-H236 AromaticContact NE2-CE1 3.93Å; H131-H236 AromaticContact NE2-NE2 3.29Å; H131-H236 PolarHBondContact NE2-NE2 3.42Å; H136-H236 AromaticContact CD2-CE1 3.86Å; H136-H236 AromaticContact CD2-NE2 3.97Å; H136-H236 AromaticContact CE1-CE1 3.5Å; H136-H236 PolarHBondContact CE1-CE1 3.14Å; H136-H236 VanDerWaalsContact CE1-CE1 3.5Å; H136-H236 AromaticContact CE1-NE2 3.52Å; H136-H236 AromaticContact NE2-CE1 3.1Å; H136-H236 PolarHBondContact NE2-CE1 3.35Å; H136-H236 AromaticContact NE2-NE2 2.95Å; H136-H236 PolarHBondContact NE2-NE2 3.38Å; H158-H236 AromaticContact CE1-CD2 3.63Å; H158-H236 AromaticContact CE1-NE2 3.23Å; H158-H236 PolarHBondContact CE1-NE2 2.94Å; H158-H236 AromaticContact NE2-CD2 3.98Å; H158-H236 AromaticContact NE2-NE2 3.33Å; H158-H236 PolarHBondContact NE2-NE2 3.49Å; Y232-H236 PolarHBondContact O-N 2.81Å; H233-H236 AromaticContact CE1-CD2 3.99Å; H233-H236 AromaticContact ND1-CD2 3.98Å; H233-H236 WeakPolarHBondContact O-CB 3.33Å; H233-H236 PolarHBondContact O-N 3.06Å; V234-H236 VanDerWaalsContact C-N 3.26Å; V234-H236 PolarHBondContact O-N 2.7Å; H236-H240 CarbonylContact O-C 3.21Å; H236-Q241 PolarHBondContact CE1-O 2.72Å; H236-Q241 VanDerWaalsContact O-CA 3.24Å; H236-Q241 WeakPolarHBondContact O-CA 3.31Å; H236-Q241 VanDerWaalsContact O-CG 3.29Å; H236-Q241 WeakPolarHBondContact O-CG 3.38Å; H236-Q241 PolarHBondContact O-N 2.8Å; H236-S243 PolarHBondContact ND1-O 2.78Å; H236-G244 PolarHBondContact ND1-O 2.87Å; H236-I260 HydrophobicContact CB-CD1 3.98Å
237	H	95.7	Very high	95.9	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-66.9	-43.5	179.7	-85.9	-73.6	0	0	0	114.1	H157 H158 H216 H233 V234 K235 Q241	H157-H237 AromaticContact CD2-CE1 3.49Å; H157-H237 PolarHBondContact CD2-CE1 3.37Å; H157-H237 VanDerWaalsContact CD2-CE1 3.49Å; H157-H237 AromaticContact CD2-NE2 3.91Å; H157-H237 AromaticContact CE1-CE1 3.99Å; H157-H237 AromaticContact NE2-CE1 3.23Å; H157-H237 PolarHBondContact NE2-CE1 3.48Å; H157-H237 AromaticContact NE2-NE2 3.22Å; H157-H237 PolarHBondContact NE2-NE2 3.37Å; H158-H237 AromaticContact CD2-CE1 3.95Å; H158-H237 AromaticContact CE1-CE1 3.68Å; H158-H237 AromaticContact CE1-ND1 3.46Å; H158-H237 PolarHBondContact CE1-ND1 3.33Å; H158-H237 AromaticContact CG-ND1 3.81Å; H158-H237 AromaticContact ND1-CE1 3.85Å; H158-H237 AromaticContact ND1-ND1 3.34Å; H158-H237 PolarHBondContact ND1-ND1 3.17Å; H158-H237 AromaticContact NE2-CE1 3.74Å; H158-H237 AromaticContact NE2-ND1 3.96Å; H216-H237 AromaticContact CE1-CD2 3.65Å; H216-H237 AromaticContact CE1-NE2 3.35Å; H216-H237 PolarHBondContact CE1-NE2 3.05Å; H216-H237 VanDerWaalsContact CE1-NE2 3.35Å; H216-H237 AromaticContact NE2-CD2 3.84Å; H216-H237 AromaticContact NE2-NE2 3.35Å; H216-H237 PolarHBondContact NE2-NE2 3.01Å; H233-H237 AromaticContact CD2-CD2 3.87Å; H233-H237 AromaticContact CD2-NE2 3.94Å; H233-H237 AromaticContact CE1-CD2 3.52Å; H233-H237 AromaticContact CE1-NE2 3.2Å; H233-H237 PolarHBondContact CE1-NE2 2.83Å; H233-H237 AromaticContact NE2-CD2 3.37Å; H233-H237 PolarHBondContact NE2-CD2 3.36Å; H233-H237 AromaticContact NE2-NE2 3.01Å; H233-H237 PolarHBondContact NE2-NE2 3.21Å; H233-H237 PolarHBondContact O-CD2 3.08Å; H233-H237 PolarHBondContact O-N 2.96Å; H233-H237 VanDerWaalsContact O-N 3.12Å; V234-H237 PolarHBondContact O-N 3.17Å; K235-H237 VanDerWaalsContact C-N 3.34Å; K235-H237 PolarHBondContact O-N 2.71Å; H237-Q241 PolarHBondContact O-NE2 3.41Å; H237-Q241 VanDerWaalsContact O-NE2 3.13Å
238	F	93.6	Very high	96	Very high	35 Å²	35	37 Å²	37	15%	0.154	18%	0.183	C	C	.	.	H	α-helix	trans	-104.8	-23.1	-164.3	-66.1	-83	0	0	0	114.5	L12 P47 P161 Y162 V234 K235	L12-F238 HydrophobicContact CB-CD1 3.39Å; L12-F238 HydrophobicContact CB-CE1 3.59Å; L12-F238 HydrophobicContact CB-CG 3.92Å; L12-F238 HydrophobicContact CB-CZ 4.28Å; L12-F238 HydrophobicContact CD1-CB 4.16Å; L12-F238 HydrophobicContact CD1-CD1 4.27Å; L12-F238 HydrophobicContact CD1-CD2 4.02Å; L12-F238 HydrophobicContact CD1-CG 3.9Å; L12-F238 HydrophobicContact CG-CD1 4.47Å; P47-F238 HydrophobicContact CB-CD1 4.08Å; P47-F238 HydrophobicContact CB-CE1 3.52Å; P47-F238 HydrophobicContact CB-CZ 4.18Å; P47-F238 HydrophobicContact CG-CD1 3.72Å; P47-F238 HydrophobicContact CG-CE1 3.67Å; P47-F238 HydrophobicContact CG-CZ 4.41Å; P161-F238 HydrophobicContact CG-CZ 4.05Å; Y162-F238 HydrophobicContact CE2-CZ 4.05Å; Y162-F238 WeakPolarHBondContact OH-CE2 3.08Å; V234-F238 HydrophobicContact CG1-CD2 3.76Å; V234-F238 HydrophobicContact CG1-CE2 4.13Å; V234-F238 VanDerWaalsContact O-CD2 3.25Å; V234-F238 WeakPolarHBondContact O-CD2 3.28Å; V234-F238 PolarHBondContact O-N 2.83Å; V234-F238 VanDerWaalsContact O-N 3.07Å; K235-F238 PolarHBondContact O-N 2.79Å
239	E	92.9	Very high	96.1	Very high	100 Å²	100	35.5 Å²	35.5	47%	0.467	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.2	-45.1	-171.1	-65.8	165.7	-160.3	0	0	112.3	K235	K235-E239 WeakPolarHBondContact O-CA 3.45Å; K235-E239 WeakPolarHBondContact O-CB 3.39Å; K235-E239 PolarHBondContact O-N 3.22Å
240	H	93.8	Very high	96.1	Very high	47 Å²	47	36.9 Å²	36.9	22%	0.218	18%	0.179	C	C	.	.			trans	-128	57.8	-165.9	-62.7	-72.9	0	0	0	113.4	K235 H236 R242 S243 I260	K235-H240 PolarHBondContact O-N 3.02Å; H236-H240 CarbonylContact O-C 3.21Å; H240-R242 PolarHBondContact O-N 3.26Å; H240-S243 CarbonylContact O-C 3.48Å; H240-S243 PolarHBondContact O-N 2.94Å; H240-I260 HydrophobicContact CB-CD1 4.23Å; H240-I260 HydrophobicContact CB-CG1 4Å; H240-I260 HydrophobicContact CB-CG2 4.27Å; H240-I260 VanDerWaalsContact CD2-CG2 3.43Å; H240-I260 WeakPolarHBondContact CD2-CG2 3.42Å
241	Q	92.4	Very high	96.2	Very high	44 Å²	44	39.7 Å²	39.7	21%	0.206	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-17	-175.3	-65.2	153.8	-6.7	0	0	114.9	H45 H136 H236 H237	H45-Q241 VanDerWaalsContact CB-CD 3.45Å; H45-Q241 PolarHBondContact CD2-OE1 3.21Å; H45-Q241 PolarHBondContact O-NE2 2.84Å; H136-Q241 PolarHBondContact CE1-O 3.23Å; H136-Q241 PolarHBondContact ND1-O 3.27Å; H236-Q241 PolarHBondContact CE1-O 2.72Å; H236-Q241 VanDerWaalsContact O-CA 3.24Å; H236-Q241 WeakPolarHBondContact O-CA 3.31Å; H236-Q241 VanDerWaalsContact O-CG 3.29Å; H236-Q241 WeakPolarHBondContact O-CG 3.38Å; H236-Q241 PolarHBondContact O-N 2.8Å; H237-Q241 PolarHBondContact O-NE2 3.41Å; H237-Q241 VanDerWaalsContact O-NE2 3.13Å
242	R	94.4	Very high	96.3	Very high	220 Å²	220	39.4 Å²	39.4	83%	0.83	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.2	13.8	177.4	-57	-169.5	72.1	-170.8	0.5	113.4	H240 F245	H240-R242 PolarHBondContact O-N 3.26Å; R242-F245 WeakPolarHBondContact O-CE2 3.2Å; R242-F245 WeakPolarHBondContact O-CZ 3.35Å
243	S	97.1	Very high	96.4	Very high	28 Å²	28	38.1 Å²	38.1	20%	0.196	18%	0.176	C	C	.	.	S	Bend	trans	-145.6	164.3	179.5	-58.8	0	0	0	0	109.4	H236 H240 T258	H236-S243 PolarHBondContact ND1-O 2.78Å; H240-S243 CarbonylContact O-C 3.48Å; H240-S243 PolarHBondContact O-N 2.94Å; S243-T258 CarbonylContact C-O 3.57Å; S243-T258 WeakPolarHBondContact CA-O 3.25Å; S243-T258 VanDerWaalsContact CB-O 3.32Å; S243-T258 WeakPolarHBondContact CB-O 3.17Å
244	G	97.4	Very high	96.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.198	C	C	.	.			trans	70	52.2	-179.1	0	0	0	0	0	113.7	Y232 H236 G246 D253 T258	Y232-G244 WeakPolarHBondContact OH-CA 3.13Å; H236-G244 PolarHBondContact ND1-O 2.87Å; G244-G246 VanDerWaalsContact C-N 3.34Å; G244-D253 WeakPolarHBondContact CA-OD2 3.28Å; G244-T258 PolarHBondContact N-O 3.11Å
245	F	98.3	Very high	96.5	Very high	9 Å²	9	45.4 Å²	45.4	4%	0.039	22%	0.215	C	C	.	.			trans	-82.1	-15.2	179	-56.8	-69.9	0	0	0	112.5	Y128 H131 R132 H136 R242 D253 T258	Y128-F245 HydrophobicContact CD2-CB 3.85Å; Y128-F245 HydrophobicContact CE2-CB 3.81Å; Y128-F245 HydrophobicContact CE2-CD2 4.14Å; Y128-F245 HydrophobicContact CE2-CG 4.45Å; H131-F245 HydrophobicContact CB-CB 4.38Å; H131-F245 PolarHBondContact ND1-O 3.09Å; R132-F245 HydrophobicContact CB-CB 4.15Å; R132-F245 HydrophobicContact CB-CD1 3.92Å; R132-F245 HydrophobicContact CB-CD2 3.9Å; R132-F245 HydrophobicContact CB-CE1 4.28Å; R132-F245 HydrophobicContact CB-CE2 4.27Å; R132-F245 HydrophobicContact CB-CG 3.71Å; R132-F245 HydrophobicContact CB-CZ 4.43Å; R132-F245 HydrophobicContact CG-CD1 4.31Å; R132-F245 HydrophobicContact CG-CD2 3.81Å; R132-F245 HydrophobicContact CG-CE1 4.22Å; R132-F245 HydrophobicContact CG-CE2 3.72Å; R132-F245 HydrophobicContact CG-CG 4.1Å; R132-F245 HydrophobicContact CG-CZ 3.92Å; H136-F245 HydrophobicContact CB-CE1 3.9Å; H136-F245 AromaticContact CD2-CD1 3.93Å; H136-F245 AromaticContact CD2-CE1 3.8Å; H136-F245 AromaticContact CG-CE1 3.81Å; R242-F245 WeakPolarHBondContact O-CE2 3.2Å; R242-F245 WeakPolarHBondContact O-CZ 3.35Å; F245-D253 PolarHBondContact N-OD1 3.12Å; F245-D253 PolarHBondContact N-OD2 3.11Å; F245-T258 HydrophobicContact CD2-CG2 3.9Å; F245-T258 HydrophobicContact CE2-CG2 3.61Å
246	G	97.9	Very high	96.6	Very high	3 Å²	3	46.8 Å²	46.8	3%	0.031	22%	0.221	C	C	.	.			trans	-78	121.9	173.7	0	0	0	0	0	112.4	G244 T249 D253	G244-G246 VanDerWaalsContact C-N 3.34Å; G246-T249 WeakPolarHBondContact CA-O 3.36Å; G246-D253 PolarHBondContact N-OD2 2.91Å; G246-D253 VanDerWaalsContact N-OD2 3.09Å
247	I	98	Very high	96.7	Very high	1 Å²	1	54 Å²	54	1%	0.005	26%	0.26	C	S	.	.	S	Bend	trans	-98.9	-47.9	178.3	-56.9	-56.3	0	0	0	111.1	E127 Y208 I211 H212 L215 H233	E127-I247 WeakPolarHBondContact OE1-CA 3.41Å; E127-I247 WeakPolarHBondContact OE1-CB 3.42Å; E127-I247 PolarHBondContact OE1-N 2.7Å; Y208-I247 HydrophobicContact CD2-CB 3.94Å; Y208-I247 HydrophobicContact CD2-CG1 4.45Å; Y208-I247 HydrophobicContact CD2-CG2 4.18Å; Y208-I247 HydrophobicContact CE2-CB 3.68Å; Y208-I247 HydrophobicContact CE2-CG1 3.69Å; Y208-I247 HydrophobicContact CE2-CG2 4.04Å; I211-I247 HydrophobicContact CG2-CG2 4.46Å; H212-I247 HydrophobicContact CB-CG2 3.74Å; L215-I247 HydrophobicContact CD1-CG2 4.15Å; H233-I247 WeakPolarHBondContact CE1-CD1 3.47Å; H233-I247 WeakPolarHBondContact ND1-CD1 3.37Å
248	T	97.9	Very high	96.8	Very high	18 Å²	18	54.3 Å²	54.3	11%	0.11	26%	0.261	C	S	.	.	S	Bend	trans	-75.7	-31	176.4	56.2	0	0	0	0	112	E127 Y208 I211 Y225 L229	E127-T248 VanDerWaalsContact CD-OG1 3.3Å; E127-T248 PolarHBondContact OE1-N 3.29Å; E127-T248 PolarHBondContact OE1-OG1 3.27Å; E127-T248 WeakPolarHBondContact OE2-CB 3.22Å; E127-T248 WeakPolarHBondContact OE2-CG2 3.02Å; E127-T248 PolarHBondContact OE2-OG1 3Å; Y208-T248 VanDerWaalsContact CA-CG2 3.48Å; Y208-T248 HydrophobicContact CD2-CG2 4.12Å; Y208-T248 HydrophobicContact CG-CG2 4.42Å; I211-T248 HydrophobicContact CD1-CG2 4.1Å; Y225-T248 PolarHBondContact OH-O 3.35Å; L229-T248 WeakPolarHBondContact CD1-O 3.35Å
249	T	97.9	Very high	97	Very high	34 Å²	34	55.1 Å²	55.1	21%	0.209	27%	0.269	C	S	.	.			trans	-159.3	145.5	179.6	-177.6	0	0	0	0	111.8	Y225 G246 F251	Y225-T249 VanDerWaalsContact OH-CA 3.27Å; Y225-T249 WeakPolarHBondContact OH-CA 3.38Å; Y225-T249 WeakPolarHBondContact OH-CB 3.45Å; Y225-T249 PolarHBondContact OH-OG1 2.85Å; G246-T249 WeakPolarHBondContact CA-O 3.36Å; T249-F251 HydrophobicContact CG2-CB 3.92Å; T249-F251 PolarHBondContact O-N 2.97Å; T249-F251 WeakPolarHBondContact OG1-CB 3.36Å; T249-F251 PolarHBondContact OG1-N 3.34Å
250	T	97.5	Very high	97.1	Very high	35 Å²	35	50.5 Å²	50.5	22%	0.215	25%	0.248	C	C	.	.	S	Bend	trans	-78.1	-2	172.6	64.4	0	0	0	0	112.8	L229 Y232 W252 D253 H254	L229-T250 HydrophobicContact CD2-CG2 4.17Å; Y232-T250 HydrophobicContact CD1-CG2 3.82Å; Y232-T250 HydrophobicContact CD2-CG2 4.3Å; Y232-T250 HydrophobicContact CE1-CG2 3.59Å; Y232-T250 HydrophobicContact CE2-CG2 4.11Å; Y232-T250 HydrophobicContact CG-CG2 4.16Å; T250-W252 VanDerWaalsContact C-N 3.29Å; T250-W252 PolarHBondContact O-N 2.99Å; T250-W252 VanDerWaalsContact O-N 3.15Å; T250-D253 WeakPolarHBondContact O-CB 3.41Å; T250-D253 PolarHBondContact O-N 2.87Å; T250-H254 PolarHBondContact O-CD2 3.4Å
251	F	97.9	Very high	96.9	Very high	103 Å²	103	51.7 Å²	51.7	45%	0.452	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-46.9	-173.5	174.5	-96.2	0	0	0	113.3	F121 T249 P255	F121-F251 HydrophobicContact CE2-CE1 4.33Å; F121-F251 HydrophobicContact CZ-CE1 4.29Å; T249-F251 HydrophobicContact CG2-CB 3.92Å; T249-F251 PolarHBondContact O-N 2.97Å; T249-F251 WeakPolarHBondContact OG1-CB 3.36Å; T249-F251 PolarHBondContact OG1-N 3.34Å; F251-P255 WeakPolarHBondContact O-CD 3.48Å
252	W	98.5	Very high	96.2	Very high	39 Å²	39	57.4 Å²	57.4	15%	0.148	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-18.7	-178.7	-64.8	112.6	0	0	0	113.6	F121 T124 F125 Y128 T250 H254 P255 F256	F121-W252 HydrophobicContact CE1-CH2 4.32Å; F121-W252 AromaticContact CE1-CZ2 3.96Å; F121-W252 HydrophobicContact CE1-CZ2 3.96Å; F121-W252 HydrophobicContact CE2-CZ2 4.08Å; F121-W252 AromaticContact CZ-CH2 3.95Å; F121-W252 HydrophobicContact CZ-CH2 3.95Å; F121-W252 AromaticContact CZ-CZ2 3.51Å; F121-W252 HydrophobicContact CZ-CZ2 3.51Å; T124-W252 PolarHBondContact OG1-NE1 3.14Å; F125-W252 HydrophobicContact CB-CD2 4.38Å; F125-W252 HydrophobicContact CB-CH2 4.35Å; F125-W252 HydrophobicContact CB-CZ2 3.65Å; F125-W252 AromaticContact CD2-CD2 3.67Å; F125-W252 HydrophobicContact CD2-CD2 3.67Å; F125-W252 AromaticContact CD2-CE2 3.77Å; F125-W252 AromaticContact CD2-CE3 3.69Å; F125-W252 HydrophobicContact CD2-CE3 3.69Å; F125-W252 HydrophobicContact CD2-CG 4.33Å; F125-W252 AromaticContact CD2-CH2 3.88Å; F125-W252 HydrophobicContact CD2-CH2 3.88Å; F125-W252 AromaticContact CD2-CZ2 3.89Å; F125-W252 HydrophobicContact CD2-CZ2 3.89Å; F125-W252 AromaticContact CD2-CZ3 3.79Å; F125-W252 HydrophobicContact CD2-CZ3 3.79Å; F125-W252 HydrophobicContact CE2-CE3 4.19Å; F125-W252 HydrophobicContact CE2-CZ3 4.21Å; F125-W252 HydrophobicContact CG-CH2 4.33Å; F125-W252 HydrophobicContact CG-CZ2 4.09Å; Y128-W252 HydrophobicContact CD1-CB 4.09Å; Y128-W252 HydrophobicContact CD2-CB 3.52Å; Y128-W252 HydrophobicContact CE2-CB 4.1Å; Y128-W252 HydrophobicContact CG-CB 3.51Å; Y128-W252 HydrophobicContact CG-CG 4.31Å; T250-W252 VanDerWaalsContact C-N 3.29Å; T250-W252 PolarHBondContact O-N 2.99Å; T250-W252 VanDerWaalsContact O-N 3.15Å; W252-H254 VanDerWaalsContact C-N 3.28Å; W252-H254 PolarHBondContact O-N 2.91Å; W252-P255 HydrophobicContact CE3-CG 4.17Å; W252-P255 WeakPolarHBondContact O-CD 3.23Å; W252-F256 AromaticContact CE3-CE2 3.86Å; W252-F256 HydrophobicContact CE3-CE2 3.86Å; W252-F256 HydrophobicContact CZ3-CE2 4.48Å; W252-F256 WeakPolarHBondContact O-CD2 3.5Å
253	D	98.4	Very high	94.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-32.6	174.1	-75.3	-52.6	0	0	0	112.1	Y128 Y232 G244 F245 G246 T250 N257 T258 V259	Y128-D253 WeakPolarHBondContact CE2-OD1 3.44Å; Y232-D253 PolarHBondContact OH-OD2 3.34Å; G244-D253 WeakPolarHBondContact CA-OD2 3.28Å; F245-D253 PolarHBondContact N-OD1 3.12Å; F245-D253 PolarHBondContact N-OD2 3.11Å; G246-D253 PolarHBondContact N-OD2 2.91Å; G246-D253 VanDerWaalsContact N-OD2 3.09Å; T250-D253 WeakPolarHBondContact O-CB 3.41Å; T250-D253 PolarHBondContact O-N 2.87Å; D253-N257 PolarHBondContact O-N 3.35Å; D253-N257 VanDerWaalsContact O-N 3.1Å; D253-T258 WeakPolarHBondContact CA-OG1 3.36Å; D253-T258 PolarHBondContact O-N 3.08Å; D253-T258 PolarHBondContact OD1-OG1 2.97Å; D253-V259 VanDerWaalsContact C-CG2 3.49Å; D253-V259 HydrophobicContact CB-CB 4.49Å; D253-V259 HydrophobicContact CB-CG2 3.85Å
254	H	97.5	Very high	94.4	Very high	104 Å²	104	58.3 Å²	58.3	48%	0.481	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-59.7	-179.4	-64.5	-82.5	0	0	0	114.3	T250 W252 F256 N257 V259	T250-H254 PolarHBondContact O-CD2 3.4Å; W252-H254 VanDerWaalsContact C-N 3.28Å; W252-H254 PolarHBondContact O-N 2.91Å; H254-F256 PolarHBondContact O-N 2.75Å; H254-F256 VanDerWaalsContact O-N 3.13Å; H254-N257 PolarHBondContact O-N 3.23Å; H254-V259 HydrophobicContact CB-CG2 4.26Å; H254-V259 WeakPolarHBondContact ND1-CG2 3.37Å
255	P	97.8	Very high	94.2	Very high	79 Å²	79	61.3 Å²	61.3	51%	0.513	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-19.4	-177.4	27.4	-36	0	0	0	113.1	F251 W252	F251-P255 WeakPolarHBondContact O-CD 3.48Å; W252-P255 HydrophobicContact CE3-CG 4.17Å; W252-P255 WeakPolarHBondContact O-CD 3.23Å
256	F	97.8	Very high	94	Very high	83 Å²	83	64.2 Å²	64.2	36%	0.364	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	7	-179.2	-67.4	-60.3	0	0	0	114.5	F125 Y128 W252 H254 T258	F125-F256 HydrophobicContact CD2-CE2 4.49Å; F125-F256 AromaticContact CE2-CE2 3.8Å; F125-F256 HydrophobicContact CE2-CE2 3.8Å; F125-F256 AromaticContact CE2-CZ 3.92Å; F125-F256 HydrophobicContact CE2-CZ 3.92Å; Y128-F256 HydrophobicContact CD1-CD2 4.07Å; Y128-F256 HydrophobicContact CD1-CE2 4.29Å; Y128-F256 HydrophobicContact CE1-CB 4.26Å; Y128-F256 AromaticContact CE1-CD2 3.36Å; Y128-F256 HydrophobicContact CE1-CD2 3.36Å; Y128-F256 AromaticContact CE1-CE2 3.93Å; Y128-F256 HydrophobicContact CE1-CE2 3.93Å; Y128-F256 AromaticContact CE1-CG 3.96Å; Y128-F256 HydrophobicContact CE1-CG 3.96Å; Y128-F256 AromaticContact CZ-CD2 3.66Å; Y128-F256 WeakPolarHBondContact OH-CB 3.34Å; W252-F256 AromaticContact CE3-CE2 3.86Å; W252-F256 HydrophobicContact CE3-CE2 3.86Å; W252-F256 HydrophobicContact CZ3-CE2 4.48Å; W252-F256 WeakPolarHBondContact O-CD2 3.5Å; H254-F256 PolarHBondContact O-N 2.75Å; H254-F256 VanDerWaalsContact O-N 3.13Å; F256-T258 VanDerWaalsContact C-N 3.32Å; F256-T258 PolarHBondContact O-N 3.4Å
257	N	97.2	Very high	93.8	Very high	152 Å²	152	67.8 Å²	67.8	81%	0.813	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	45.6	179.1	-62.8	-41	0	0	0	113.3	D253 H254	D253-N257 PolarHBondContact O-N 3.35Å; D253-N257 VanDerWaalsContact O-N 3.1Å; H254-N257 PolarHBondContact O-N 3.23Å
258	T	97.9	Very high	93.5	Very high	6 Å²	6	72 Å²	72	4%	0.037	37%	0.374	C	S	.	.			trans	-118.6	21.1	174.9	56.7	0	0	0	0	112.1	Y128 S243 G244 F245 D253 F256	Y128-T258 WeakPolarHBondContact CE2-OG1 3.14Å; Y128-T258 PolarHBondContact OH-OG1 2.75Å; S243-T258 CarbonylContact C-O 3.57Å; S243-T258 WeakPolarHBondContact CA-O 3.25Å; S243-T258 VanDerWaalsContact CB-O 3.32Å; S243-T258 WeakPolarHBondContact CB-O 3.17Å; G244-T258 PolarHBondContact N-O 3.11Å; F245-T258 HydrophobicContact CD2-CG2 3.9Å; F245-T258 HydrophobicContact CE2-CG2 3.61Å; D253-T258 WeakPolarHBondContact CA-OG1 3.36Å; D253-T258 PolarHBondContact O-N 3.08Å; D253-T258 PolarHBondContact OD1-OG1 2.97Å; F256-T258 VanDerWaalsContact C-N 3.32Å; F256-T258 PolarHBondContact O-N 3.4Å
259	V	97.7	Very high	93.2	Very high	53 Å²	53	75.6 Å²	75.6	32%	0.321	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-68.4	135.6	176.1	-174.9	0	0	0	0	109.9	Y232 D253 H254	Y232-V259 HydrophobicContact CE2-CG1 4.43Å; Y232-V259 WeakPolarHBondContact OH-CA 3.26Å; D253-V259 VanDerWaalsContact C-CG2 3.49Å; D253-V259 HydrophobicContact CB-CB 4.49Å; D253-V259 HydrophobicContact CB-CG2 3.85Å; H254-V259 HydrophobicContact CB-CG2 4.26Å; H254-V259 WeakPolarHBondContact ND1-CG2 3.37Å
260	I	96.4	Very high	92.9	Very high	2 Å²	2	78.6 Å²	78.6	1%	0.01	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-70.7	127.5	170.2	-63	173.5	0	0	0	108.7	Y232 K235 H236 H240	Y232-I260 HydrophobicContact CD1-CD1 4.33Å; Y232-I260 HydrophobicContact CD2-CB 3.99Å; Y232-I260 HydrophobicContact CD2-CD1 4.14Å; Y232-I260 HydrophobicContact CD2-CG1 4.37Å; Y232-I260 HydrophobicContact CE1-CD1 4.27Å; Y232-I260 HydrophobicContact CE2-CB 3.51Å; Y232-I260 HydrophobicContact CE2-CD1 4.07Å; Y232-I260 HydrophobicContact CE2-CG1 3.86Å; Y232-I260 HydrophobicContact CG-CD1 4.28Å; Y232-I260 VanDerWaalsContact O-CD1 3.23Å; Y232-I260 WeakPolarHBondContact O-CD1 3.21Å; Y232-I260 PolarHBondContact OH-N 2.93Å; K235-I260 HydrophobicContact CB-CD1 3.96Å; K235-I260 HydrophobicContact CB-CG2 4.15Å; K235-I260 HydrophobicContact CD-CG2 3.92Å; H236-I260 HydrophobicContact CB-CD1 3.98Å; H240-I260 HydrophobicContact CB-CD1 4.23Å; H240-I260 HydrophobicContact CB-CG1 4Å; H240-I260 HydrophobicContact CB-CG2 4.27Å; H240-I260 VanDerWaalsContact CD2-CG2 3.43Å; H240-I260 WeakPolarHBondContact CD2-CG2 3.42Å
261	P	89.4	Confident	92.5	Very high	72 Å²	72	81.9 Å²	81.9	47%	0.468	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-56.7	139.5	178.5	-24.2	34.1	0	0	0	112.8	E263	P261-E263 PolarHBondContact O-N 3.16Å
262	D	77.9	Confident	92	Very high	164 Å²	164	80.2 Å²	80.2	88%	0.877	42%	0.417	S	S	*	.			trans	-73.5	105.9	165.1	-65.1	-37.6	0	0	0	107.3
263	E	58.1	Low	91.5	Very high	208 Å²	208	83.9 Å²	83.9	97%	0.972	44%	0.441	S	S	*	.			trans	-80.9	0	167.1	-66.9	-169.7	163.4	0	0	111.2	P261	P261-E263 PolarHBondContact O-N 3.16Å

Retrieved 263 of 263 residues in 227.2 ms (Link to these results)

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