A0A087Y2H9_POEFO Loading...

Galactose-3-O-sulfotransferase 4

AlphaFold DB , UniProt , Accession A0A087Y2H9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 443 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	45.9	Very low	45.3	Very low	242 Å²	242	158.5 Å²	158.5	100%	1.192	81%	0.807	S	S	*	*				0	102.6	0	-73.9	-168.6	-177.5	0	0	109
2	L	36.7	Very low	46.5	Very low	190 Å²	190	154.3 Å²	154.3	100%	0.995	80%	0.798	S	S	*	*			trans	-161.6	150.4	155.2	-136.6	74	0	0	0	109.1
3	R	41.4	Very low	47.4	Very low	215 Å²	215	150.1 Å²	150.1	81%	0.811	78%	0.783	S	S	*	*			trans	-92.3	155.3	-152	-93.9	179.5	167.5	-168.9	-2.1	114.8
4	W	44.5	Very low	48.5	Very low	196 Å²	196	151.4 Å²	151.4	74%	0.742	77%	0.773	S	S	*	*			trans	77.2	124.9	141.1	-79.5	40.6	0	0	0	120.1	V6	W4-V6 HydrophobicContact CE3-CG2 4.4Å; W4-V6 HydrophobicContact CZ3-CG2 4.37Å
5	L	41.2	Very low	49.2	Very low	176 Å²	176	150.7 Å²	150.7	92%	0.921	77%	0.768	S	S	*	*				-161.6	133.1	118.3	-100.6	153.6	0	0	0	111.1
6	V	47.9	Very low	50	Low	108 Å²	108	153.5 Å²	153.5	66%	0.655	77%	0.766	S	S	*	*			trans	-78.7	137.5	-176.8	170.7	0	0	0	0	109.9	W4	W4-V6 HydrophobicContact CE3-CG2 4.4Å; W4-V6 HydrophobicContact CZ3-CG2 4.37Å
7	C	39.1	Very low	51.1	Low	135 Å²	135	152.9 Å²	152.9	91%	0.912	76%	0.758	S	S	*	*			trans	-124.2	87	165.1	-126.1	0	0	0	0	109.2
8	G	43.9	Very low	52.3	Low	62 Å²	62	146 Å²	146	64%	0.639	73%	0.728	S	S	*	*			trans	-81.8	117.7	171.5	0	0	0	0	0	110.2	L10	G8-L10 PolarHBondContact O-N 3.2Å
9	R	50.6	Low	53.4	Low	252 Å²	252	144.1 Å²	144.1	95%	0.951	72%	0.72	S	S	*	*			trans	-64.7	114.8	172.5	-74	180	179.3	-173.9	-0.7	110	G11	R9-G11 PolarHBondContact O-N 3.4Å
10	L	48.3	Very low	54.5	Low	132 Å²	132	142.5 Å²	142.5	69%	0.691	71%	0.713	S	S	*	*			trans	-74.7	102.7	168	-83.4	152.2	0	0	0	109.2	G8 W14	G8-L10 PolarHBondContact O-N 3.2Å; L10-W14 HydrophobicContact CD2-CB 3.98Å; L10-W14 HydrophobicContact CD2-CD2 3.64Å; L10-W14 HydrophobicContact CD2-CE3 3.79Å; L10-W14 HydrophobicContact CD2-CG 3.73Å; L10-W14 HydrophobicContact CD2-CZ3 4.49Å
11	G	59.2	Low	55.5	Low	36 Å²	36	140.9 Å²	140.9	37%	0.371	71%	0.707	S	S	.	*			trans	-75.4	160.7	175.7	0	0	0	0	0	113.4	R9 V13 W14	R9-G11 PolarHBondContact O-N 3.4Å; G11-V13 PolarHBondContact O-N 2.96Å; G11-W14 PolarHBondContact O-N 3.5Å
12	P	58.9	Low	56.8	Low	107 Å²	107	136.3 Å²	136.3	70%	0.695	68%	0.681	S	S	*	*	H	α-helix	trans	-60	-13.9	-173.3	21	-31.7	0	0	0	115.2	W14	P12-W14 VanDerWaalsContact C-N 3.35Å
13	V	59.1	Low	58.7	Low	100 Å²	100	132.4 Å²	132.4	61%	0.606	66%	0.66	S	S	*	*	H	α-helix	trans	-70.3	-30.1	175.7	-175.4	0	0	0	0	112.1	G11 W16 K17	G11-V13 PolarHBondContact O-N 2.96Å; V13-W16 PolarHBondContact O-N 3.46Å; V13-K17 PolarHBondContact O-N 3.31Å
14	W	61.8	Low	60.3	Low	169 Å²	169	125 Å²	125	64%	0.64	64%	0.644	S	S	*	*	H	α-helix	trans	-73.1	-36.1	-179.6	-150.8	83.3	0	0	0	111.8	L10 G11 P12 W16 K17 A18	L10-W14 HydrophobicContact CD2-CB 3.98Å; L10-W14 HydrophobicContact CD2-CD2 3.64Å; L10-W14 HydrophobicContact CD2-CE3 3.79Å; L10-W14 HydrophobicContact CD2-CG 3.73Å; L10-W14 HydrophobicContact CD2-CZ3 4.49Å; G11-W14 PolarHBondContact O-N 3.5Å; P12-W14 VanDerWaalsContact C-N 3.35Å; W14-W16 VanDerWaalsContact C-N 3.33Å; W14-W16 PolarHBondContact O-N 3.34Å; W14-K17 PolarHBondContact O-N 2.95Å; W14-A18 WeakPolarHBondContact O-CB 3.39Å; W14-A18 PolarHBondContact O-N 3.41Å
15	M	60.2	Low	61.6	Low	141 Å²	141	120.5 Å²	120.5	70%	0.695	63%	0.634	S	S	*	*	H	α-helix	trans	-60.9	-40.7	173.9	-72.5	-84.8	-77.5	0	0	111.9	A18 L19	M15-A18 PolarHBondContact O-N 2.95Å; M15-L19 WeakPolarHBondContact O-CB 3.37Å; M15-L19 PolarHBondContact O-N 3.48Å
16	W	61.6	Low	62.9	Low	195 Å²	195	114.9 Å²	114.9	74%	0.739	61%	0.613	S	S	*	*	H	α-helix	trans	-69.5	-37.9	177.1	-86.4	56.7	0	0	0	112.8	V13 W14 L19 L20	V13-W16 PolarHBondContact O-N 3.46Å; W14-W16 VanDerWaalsContact C-N 3.33Å; W14-W16 PolarHBondContact O-N 3.34Å; W16-L19 PolarHBondContact O-N 2.94Å; W16-L20 WeakPolarHBondContact O-CG 3.37Å; W16-L20 PolarHBondContact O-N 3.03Å
17	K	69.1	Low	64	Low	144 Å²	144	116.1 Å²	116.1	63%	0.626	61%	0.61	S	S	*	*	H	α-helix	trans	-67	-38.6	174.4	-72	-174.9	177.6	-173.3	0	112.1	V13 W14 L21	V13-K17 PolarHBondContact O-N 3.31Å; W14-K17 PolarHBondContact O-N 2.95Å; K17-L21 WeakPolarHBondContact O-CB 3.44Å; K17-L21 PolarHBondContact O-N 3.43Å
18	A	72	Confident	65.4	Low	28 Å²	28	111.9 Å²	111.9	23%	0.231	59%	0.585	C	S	.	*	H	α-helix	trans	-65.1	-44	174.2	0	0	0	0	0	111.5	W14 M15 L20 L21 F22	W14-A18 WeakPolarHBondContact O-CB 3.39Å; W14-A18 PolarHBondContact O-N 3.41Å; M15-A18 PolarHBondContact O-N 2.95Å; A18-L20 PolarHBondContact O-N 3.46Å; A18-L21 WeakPolarHBondContact O-CB 3.37Å; A18-L21 PolarHBondContact O-N 2.97Å; A18-F22 WeakPolarHBondContact O-CD2 3.47Å; A18-F22 PolarHBondContact O-N 3.45Å
19	L	72.6	Confident	66.3	Low	110 Å²	110	111 Å²	111	58%	0.576	58%	0.575	S	S	*	*	H	α-helix	trans	-61.8	-43.2	178.2	-163.5	82.4	0	0	0	112.3	M15 W16 L21 F22 L23	M15-L19 WeakPolarHBondContact O-CB 3.37Å; M15-L19 PolarHBondContact O-N 3.48Å; W16-L19 PolarHBondContact O-N 2.94Å; L19-L21 VanDerWaalsContact C-N 3.33Å; L19-L21 PolarHBondContact O-N 3.34Å; L19-F22 PolarHBondContact O-N 3.5Å; L19-L23 HydrophobicContact CG-CD1 4.37Å; L19-L23 WeakPolarHBondContact O-CB 3.17Å; L19-L23 PolarHBondContact O-N 3.47Å
20	L	75.8	Confident	66.8	Low	111 Å²	111	105.4 Å²	105.4	58%	0.581	56%	0.56	S	S	*	*	H	α-helix	trans	-65.4	-36.7	176.2	-74.3	169.7	0	0	0	112.1	W16 A18 L23 A24	W16-L20 WeakPolarHBondContact O-CG 3.37Å; W16-L20 PolarHBondContact O-N 3.03Å; A18-L20 PolarHBondContact O-N 3.46Å; L20-L23 PolarHBondContact O-N 3.45Å; L20-A24 WeakPolarHBondContact O-CB 3.49Å; L20-A24 PolarHBondContact O-N 3.31Å
21	L	75.8	Confident	67.2	Low	109 Å²	109	103.4 Å²	103.4	57%	0.571	55%	0.55	S	S	*	.	H	α-helix	trans	-65.5	-43.5	174.7	-167	77.6	0	0	0	111.3	K17 A18 L19 A24 I25	K17-L21 WeakPolarHBondContact O-CB 3.44Å; K17-L21 PolarHBondContact O-N 3.43Å; A18-L21 WeakPolarHBondContact O-CB 3.37Å; A18-L21 PolarHBondContact O-N 2.97Å; L19-L21 VanDerWaalsContact C-N 3.33Å; L19-L21 PolarHBondContact O-N 3.34Å; L21-A24 PolarHBondContact O-N 2.96Å; L21-I25 HydrophobicContact CD2-CD1 4.48Å; L21-I25 HydrophobicContact CG-CD1 4.05Å; L21-I25 VanDerWaalsContact O-CG1 3.24Å; L21-I25 WeakPolarHBondContact O-CG1 3.47Å; L21-I25 PolarHBondContact O-N 2.86Å
22	F	73.9	Confident	67	Low	147 Å²	147	106.5 Å²	106.5	65%	0.645	56%	0.557	S	S	*	*	H	α-helix	trans	-65.5	-38.9	176.3	-80.7	-67.9	0	0	0	112.5	A18 L19 I25 A26	A18-F22 WeakPolarHBondContact O-CD2 3.47Å; A18-F22 PolarHBondContact O-N 3.45Å; L19-F22 PolarHBondContact O-N 3.5Å; F22-I25 PolarHBondContact O-N 2.86Å; F22-A26 WeakPolarHBondContact O-CB 3.36Å; F22-A26 PolarHBondContact O-N 3.43Å
23	L	75.3	Confident	66.6	Low	108 Å²	108	103.3 Å²	103.3	57%	0.565	54%	0.544	S	S	*	.	H	α-helix	trans	-64.7	-41.3	174	-81.3	162.1	0	0	0	112	L19 L20 A26 F27	L19-L23 HydrophobicContact CG-CD1 4.37Å; L19-L23 WeakPolarHBondContact O-CB 3.17Å; L19-L23 PolarHBondContact O-N 3.47Å; L20-L23 PolarHBondContact O-N 3.45Å; L23-A26 PolarHBondContact O-N 2.95Å; L23-F27 WeakPolarHBondContact O-CB 3.31Å; L23-F27 PolarHBondContact O-N 3.44Å
24	A	74.7	Confident	66.2	Low	58 Å²	58	104 Å²	104	48%	0.479	55%	0.548	S	S	.	.	H	α-helix	trans	-65.7	-40.1	176.4	0	0	0	0	0	112.3	L20 L21 F27 A28	L20-A24 WeakPolarHBondContact O-CB 3.49Å; L20-A24 PolarHBondContact O-N 3.31Å; L21-A24 PolarHBondContact O-N 2.96Å; A24-F27 PolarHBondContact O-N 2.95Å; A24-A28 VanDerWaalsContact O-CB 3.31Å; A24-A28 WeakPolarHBondContact O-CB 3.24Å; A24-A28 PolarHBondContact O-N 3.06Å
25	I	72.8	Confident	65.7	Low	103 Å²	103	101.1 Å²	101.1	53%	0.528	54%	0.544	S	S	.	.	H	α-helix	trans	-67.6	-40.7	176	-67.2	165.5	0	0	0	111	L21 F22 A28 G29	L21-I25 HydrophobicContact CD2-CD1 4.48Å; L21-I25 HydrophobicContact CG-CD1 4.05Å; L21-I25 VanDerWaalsContact O-CG1 3.24Å; L21-I25 WeakPolarHBondContact O-CG1 3.47Å; L21-I25 PolarHBondContact O-N 2.86Å; F22-I25 PolarHBondContact O-N 2.86Å; I25-A28 PolarHBondContact O-N 2.93Å; I25-G29 PolarHBondContact O-N 3.3Å
26	A	68.6	Low	65	Low	58 Å²	58	101.4 Å²	101.4	48%	0.479	54%	0.542	S	S	.	.	H	α-helix	trans	-64.4	-40.4	176.2	0	0	0	0	0	112	F22 L23 G29 Q30	F22-A26 WeakPolarHBondContact O-CB 3.36Å; F22-A26 PolarHBondContact O-N 3.43Å; L23-A26 PolarHBondContact O-N 2.95Å; A26-G29 PolarHBondContact O-N 2.91Å; A26-Q30 PolarHBondContact O-N 3.04Å
27	F	70.3	Confident	63.8	Low	133 Å²	133	98.8 Å²	98.8	58%	0.583	54%	0.542	S	S	*	.	H	α-helix	trans	-69.9	-39.8	177.4	-154.3	-99.3	0	0	0	111.9	L23 A24 G29 Q30 L31	L23-F27 WeakPolarHBondContact O-CB 3.31Å; L23-F27 PolarHBondContact O-N 3.44Å; A24-F27 PolarHBondContact O-N 2.95Å; F27-G29 VanDerWaalsContact C-N 3.33Å; F27-G29 PolarHBondContact O-N 2.93Å; F27-Q30 PolarHBondContact O-N 3.22Å; F27-L31 HydrophobicContact CD1-CD1 3.58Å; F27-L31 HydrophobicContact CE1-CD1 3.55Å; F27-L31 PolarHBondContact O-N 3.28Å
28	A	68.2	Low	62.4	Low	47 Å²	47	101 Å²	101	39%	0.388	55%	0.552	S	S	.	*	H	α-helix	trans	-64.2	-37.4	172.4	0	0	0	0	0	112.1	A24 I25 L31 L32	A24-A28 VanDerWaalsContact O-CB 3.31Å; A24-A28 WeakPolarHBondContact O-CB 3.24Å; A24-A28 PolarHBondContact O-N 3.06Å; I25-A28 PolarHBondContact O-N 2.93Å; A28-L31 PolarHBondContact O-N 3.29Å; A28-L32 WeakPolarHBondContact O-CB 3.47Å; A28-L32 PolarHBondContact O-N 3.26Å
29	G	63.5	Low	61	Low	43 Å²	43	103.8 Å²	103.8	44%	0.443	57%	0.57	S	S	.	*	H	α-helix	trans	-65.3	-38.5	173.5	0	0	0	0	0	113.3	I25 A26 F27 G33	I25-G29 PolarHBondContact O-N 3.3Å; A26-G29 PolarHBondContact O-N 2.91Å; F27-G29 VanDerWaalsContact C-N 3.33Å; F27-G29 PolarHBondContact O-N 2.93Å; G29-G33 PolarHBondContact O-N 3.43Å
30	Q	61.4	Low	59.6	Low	135 Å²	135	105.3 Å²	105.3	63%	0.631	58%	0.578	S	S	*	*	H	α-helix	trans	-67.6	-40.8	172.7	-79.5	-177.7	-22.1	0	0	112.1	A26 F27 G33 V34	A26-Q30 PolarHBondContact O-N 3.04Å; F27-Q30 PolarHBondContact O-N 3.22Å; Q30-G33 PolarHBondContact O-N 3.26Å; Q30-V34 WeakPolarHBondContact O-CB 3.43Å; Q30-V34 WeakPolarHBondContact O-CG2 3.12Å; Q30-V34 PolarHBondContact O-N 3.36Å
31	L	57.5	Low	57.8	Low	90 Å²	90	106.5 Å²	106.5	47%	0.471	59%	0.59	S	S	.	*	H	α-helix	trans	-66.2	-41.7	175.1	-96.8	139	0	0	0	112.4	F27 A28 V34 I35	F27-L31 HydrophobicContact CD1-CD1 3.58Å; F27-L31 HydrophobicContact CE1-CD1 3.55Å; F27-L31 PolarHBondContact O-N 3.28Å; A28-L31 PolarHBondContact O-N 3.29Å; L31-V34 PolarHBondContact O-N 3.17Å; L31-I35 WeakPolarHBondContact O-CB 3.48Å; L31-I35 WeakPolarHBondContact O-CD1 3.21Å; L31-I35 WeakPolarHBondContact O-CG1 3.3Å; L31-I35 PolarHBondContact O-N 3.49Å
32	L	54.7	Low	56	Low	100 Å²	100	108.5 Å²	108.5	52%	0.524	60%	0.596	S	S	.	*	H	α-helix	trans	-66.7	-37.9	173.6	-84.8	154.9	0	0	0	112.1	A28 V34 I35 F36	A28-L32 WeakPolarHBondContact O-CB 3.47Å; A28-L32 PolarHBondContact O-N 3.26Å; L32-V34 VanDerWaalsContact C-N 3.33Å; L32-V34 PolarHBondContact O-N 2.94Å; L32-I35 PolarHBondContact O-N 3.33Å; L32-F36 HydrophobicContact CD2-CD2 4.19Å; L32-F36 HydrophobicContact CD2-CE2 4.11Å; L32-F36 WeakPolarHBondContact O-CB 3.34Å; L32-F36 PolarHBondContact O-N 3.39Å
33	G	50.4	Low	54.3	Low	41 Å²	41	107 Å²	107	42%	0.423	60%	0.601	S	S	.	*	H	α-helix	trans	-64.3	-34.2	173.2	0	0	0	0	0	113.3	G29 Q30 N37	G29-G33 PolarHBondContact O-N 3.43Å; Q30-G33 PolarHBondContact O-N 3.26Å; G33-N37 VanDerWaalsContact O-CB 3.3Å; G33-N37 WeakPolarHBondContact O-CB 3.42Å; G33-N37 PolarHBondContact O-N 2.71Å; G33-N37 VanDerWaalsContact O-N 3.17Å
34	V	50.8	Low	52.6	Low	114 Å²	114	106.2 Å²	106.2	69%	0.691	61%	0.61	S	S	*	*	H	α-helix	trans	-75.8	-32.7	174.7	171.7	0	0	0	0	111.9	Q30 L31 L32	Q30-V34 WeakPolarHBondContact O-CB 3.43Å; Q30-V34 WeakPolarHBondContact O-CG2 3.12Å; Q30-V34 PolarHBondContact O-N 3.36Å; L31-V34 PolarHBondContact O-N 3.17Å; L32-V34 VanDerWaalsContact C-N 3.33Å; L32-V34 PolarHBondContact O-N 2.94Å
35	I	51.3	Low	51.2	Low	109 Å²	109	108 Å²	108	56%	0.559	63%	0.625	S	S	*	*	H	α-helix	trans	-79.1	-33.9	178.6	-64.9	163.5	0	0	0	111.7	L31 L32	L31-I35 WeakPolarHBondContact O-CB 3.48Å; L31-I35 WeakPolarHBondContact O-CD1 3.21Å; L31-I35 WeakPolarHBondContact O-CG1 3.3Å; L31-I35 PolarHBondContact O-N 3.49Å; L32-I35 PolarHBondContact O-N 3.33Å
36	F	44.4	Very low	50.1	Low	146 Å²	146	114.7 Å²	114.7	64%	0.64	64%	0.643	S	S	*	*	H	α-helix	trans	-89.1	-9.7	178	-88	-87.1	0	0	0	115.2	L32 K38 S39	L32-F36 HydrophobicContact CD2-CD2 4.19Å; L32-F36 HydrophobicContact CD2-CE2 4.11Å; L32-F36 WeakPolarHBondContact O-CB 3.34Å; L32-F36 PolarHBondContact O-N 3.39Å; F36-K38 PolarHBondContact O-N 3.37Å; F36-S39 PolarHBondContact O-OG 3.18Å
37	N	36.9	Very low	49.8	Very low	141 Å²	141	113.3 Å²	113.3	75%	0.754	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	8.5	167.9	-152.8	23.1	0	0	0	113.2	G33 S39	G33-N37 VanDerWaalsContact O-CB 3.3Å; G33-N37 WeakPolarHBondContact O-CB 3.42Å; G33-N37 PolarHBondContact O-N 2.71Å; G33-N37 VanDerWaalsContact O-N 3.17Å; N37-S39 PolarHBondContact O-N 2.96Å
38	K	40.7	Very low	49.7	Very low	191 Å²	191	109.2 Å²	109.2	83%	0.83	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	25	166.2	-126.5	176.8	-174.3	178.7	0	112.3	F36 N40	F36-K38 PolarHBondContact O-N 3.37Å; K38-N40 PolarHBondContact O-N 2.84Å
39	S	42.1	Very low	49.7	Very low	86 Å²	86	108.8 Å²	108.8	60%	0.601	60%	0.604	S	S	*	*	S	Bend	trans	-78.7	96.5	172.6	-59.7	0	0	0	0	109.4	F36 N37	F36-S39 PolarHBondContact O-OG 3.18Å; N37-S39 PolarHBondContact O-N 2.96Å
40	N	43.3	Very low	49.7	Very low	141 Å²	141	111.2 Å²	111.2	75%	0.754	61%	0.614	S	S	*	*			trans	59.3	61.5	149.3	-131	4.2	0	0	0	115.8	K38 Q42	K38-N40 PolarHBondContact O-N 2.84Å; N40-Q42 PolarHBondContact O-N 3.26Å
41	V	37.5	Very low	49.9	Very low	137 Å²	137	106.5 Å²	106.5	83%	0.83	60%	0.596	S	S	*	*			trans	-65.8	93.3	150.8	179.6	0	0	0	0	105.7
42	Q	37.2	Very low	50.1	Low	151 Å²	151	107.6 Å²	107.6	71%	0.706	61%	0.608	S	S	*	*			trans	-48.5	127.9	161	-75.8	-176	-26.1	0	0	106.4	N40 A44	N40-Q42 PolarHBondContact O-N 3.26Å; Q42-A44 PolarHBondContact O-N 2.88Å
43	P	38.2	Very low	50.8	Low	115 Å²	115	107.8 Å²	107.8	75%	0.747	61%	0.61	S	S	*	*			trans	-53.6	123.8	172	18.3	-24.5	0	0	0	106.2	A45	P43-A45 PolarHBondContact O-N 2.86Å
44	A	40.9	Very low	52	Low	91 Å²	91	106.2 Å²	106.2	75%	0.752	59%	0.593	S	S	*	*			trans	-41.2	116.5	177.5	0	0	0	0	0	107.2	Q42 R46	Q42-A44 PolarHBondContact O-N 2.88Å; A44-R46 PolarHBondContact O-N 2.91Å
45	A	43.6	Very low	53.5	Low	95 Å²	95	106.6 Å²	106.6	79%	0.785	59%	0.587	S	S	*	*			trans	-47.9	111.9	-174.3	0	0	0	0	0	107	P43 S47	P43-A45 PolarHBondContact O-N 2.86Å; A45-S47 PolarHBondContact O-N 3.26Å
46	R	50.8	Low	55.1	Low	244 Å²	244	102.8 Å²	102.8	92%	0.921	58%	0.575	S	S	*	*			trans	-54.7	113.2	178.6	-81.8	-178.2	174.2	170	-1.9	105.3	A44 I48	A44-R46 PolarHBondContact O-N 2.91Å; R46-I48 PolarHBondContact O-N 2.02Å
47	S	61.4	Low	57.1	Low	29 Å²	29	97.3 Å²	97.3	20%	0.203	55%	0.554	C	S	.	*			trans	-49.7	127.8	-179.5	174.2	0	0	0	0	107.7	A45 F49 S50	A45-S47 PolarHBondContact O-N 3.26Å; S47-F49 PolarHBondContact O-N 3.08Å; S47-F49 PolarHBondContact OG-N 3.45Å; S47-S50 PolarHBondContact O-N 3.47Å
48	I	69.9	Low	59.4	Low	48 Å²	48	95.6 Å²	95.6	25%	0.246	55%	0.553	C	S	.	*	G	3₁₀ helix	trans	-54.4	-27.1	178.9	-171.2	167.2	0	0	0	111.1	R46 S50 R333 L337 V340	R46-I48 PolarHBondContact O-N 2.02Å; I48-S50 PolarHBondContact O-N 3.32Å; I48-R333 PolarHBondContact O-NH2 3.11Å; I48-L337 HydrophobicContact CD1-CD2 4.35Å; I48-L337 HydrophobicContact CG1-CD2 4.39Å; I48-L337 HydrophobicContact CG2-CD2 4.18Å; I48-V340 HydrophobicContact CD1-CG2 3.68Å
49	F	67.4	Low	61.7	Low	37 Å²	37	88.7 Å²	88.7	16%	0.162	53%	0.525	C	S	.	.	G	3₁₀ helix	trans	-76.5	0.7	176.4	-60.6	-84.6	0	0	0	114.5	S47 L337 T382 S385 M389	S47-F49 PolarHBondContact O-N 3.08Å; S47-F49 PolarHBondContact OG-N 3.45Å; F49-L337 HydrophobicContact CD1-CD2 4.23Å; F49-L337 HydrophobicContact CE1-CD1 4.11Å; F49-L337 HydrophobicContact CE1-CD2 3.69Å; F49-L337 HydrophobicContact CZ-CD2 3.87Å; F49-T382 HydrophobicContact CE2-CG2 4.37Å; F49-S385 VanDerWaalsContact CZ-CB 3.44Å; F49-M389 HydrophobicContact CE1-SD 3.95Å; F49-M389 HydrophobicContact CZ-SD 4.33Å
50	S	62.7	Low	63.8	Low	95 Å²	95	87.2 Å²	87.2	66%	0.664	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-120.6	10.5	179.3	-53.4	0	0	0	0	112.8	S47 I48	S47-S50 PolarHBondContact O-N 3.47Å; I48-S50 PolarHBondContact O-N 3.32Å
51	S	65.3	Low	65.8	Low	36 Å²	36	87 Å²	87	25%	0.252	53%	0.533	S	S	.	.	S	Bend	trans	-66.7	150.3	174.3	-174.3	0	0	0	0	111.2	D53 A54	S51-D53 PolarHBondContact O-N 2.82Å; S51-D53 VanDerWaalsContact O-N 3.11Å; S51-D53 PolarHBondContact OG-N 3.24Å; S51-D53 PolarHBondContact OG-OD2 2.89Å; S51-A54 WeakPolarHBondContact O-CB 2.97Å; S51-A54 PolarHBondContact O-N 2.79Å
52	P	62	Low	68.3	Low	113 Å²	113	83.4 Å²	83.4	73%	0.734	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-49.8	-31.5	166.4	-27.7	35.5	0	0	0	113.7	A54 Q55	P52-A54 PolarHBondContact O-N 2.93Å; P52-A54 VanDerWaalsContact O-N 3.13Å; P52-Q55 PolarHBondContact O-N 3.33Å; P52-Q55 VanDerWaalsContact O-N 3.13Å
53	D	69.5	Low	70.9	Confident	104 Å²	104	86.6 Å²	86.6	56%	0.556	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-59.7	-22.7	175.3	-51.9	-48.8	0	0	0	113	S51 Q55 G56	S51-D53 PolarHBondContact O-N 2.82Å; S51-D53 VanDerWaalsContact O-N 3.11Å; S51-D53 PolarHBondContact OG-N 3.24Å; S51-D53 PolarHBondContact OG-OD2 2.89Å; D53-Q55 PolarHBondContact O-N 2.9Å; D53-G56 PolarHBondContact O-N 2.88Å
54	A	76.2	Confident	73.6	Confident	8 Å²	8	84.9 Å²	84.9	7%	0.066	51%	0.508	C	S	.	.	G	3₁₀ helix	trans	-66.7	-25.8	178.7	0	0	0	0	0	113	S51 P52 L258 D259	S51-A54 WeakPolarHBondContact O-CB 2.97Å; S51-A54 PolarHBondContact O-N 2.79Å; P52-A54 PolarHBondContact O-N 2.93Å; P52-A54 VanDerWaalsContact O-N 3.13Å; A54-L258 PolarHBondContact O-N 3.46Å; A54-L258 VanDerWaalsContact O-N 3.16Å; A54-D259 VanDerWaalsContact CA-CG 3.42Å; A54-D259 WeakPolarHBondContact CA-OD1 2.9Å; A54-D259 HydrophobicContact CB-CB 3.92Å; A54-D259 VanDerWaalsContact CB-CG 3.41Å; A54-D259 WeakPolarHBondContact CB-OD2 3.35Å; A54-D259 PolarHBondContact O-N 2.79Å
55	Q	82.8	Confident	76.3	Confident	121 Å²	121	83.5 Å²	83.5	57%	0.565	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-35.6	-178.7	-63.5	-65	-9.2	0	0	111.8	P52 D53 R251 L258	P52-Q55 PolarHBondContact O-N 3.33Å; P52-Q55 VanDerWaalsContact O-N 3.13Å; D53-Q55 PolarHBondContact O-N 2.9Å; Q55-R251 PolarHBondContact O-NH2 3.29Å; Q55-L258 PolarHBondContact O-N 3.03Å
56	G	84.6	Confident	78.9	Confident	30 Å²	30	81.2 Å²	81.2	31%	0.309	46%	0.462	S	S	.	.			trans	70.3	-167.1	-171.7	0	0	0	0	0	113.1	D53	D53-G56 PolarHBondContact O-N 2.88Å
57	P	86.3	Confident	81.2	Confident	30 Å²	30	70.5 Å²	70.5	20%	0.195	42%	0.422	C	S	.	.	S	Bend	trans	-61.2	152.7	-179.6	-25.5	37.8	0	0	0	113.1	L59 R251 E326 L329	P57-L59 PolarHBondContact O-N 2.9Å; P57-R251 PolarHBondContact O-NH2 3.16Å; P57-E326 HydrophobicContact CG-CG 4.07Å; P57-L329 HydrophobicContact CG-CD1 3.5Å; P57-L329 VanDerWaalsContact CG-CD1 3.5Å
58	S	85.1	Confident	82.9	Confident	106 Å²	106	69.1 Å²	69.1	74%	0.741	41%	0.412	S	S	*	.			trans	-53.9	136.4	178.2	-177.9	0	0	0	0	111.9	G60	S58-G60 VanDerWaalsContact C-N 3.34Å; S58-G60 PolarHBondContact OG-N 3.47Å
59	L	89.3	Confident	84.3	Confident	45 Å²	45	66.8 Å²	66.8	24%	0.236	40%	0.401	C	S	.	.			trans	-94	6.2	176.3	-64.5	170.6	0	0	0	112.3	P57 R251 H252 W256	P57-L59 PolarHBondContact O-N 2.9Å; L59-R251 VanDerWaalsContact CD2-CZ 3.47Å; L59-R251 VanDerWaalsContact CD2-NH1 3.3Å; L59-H252 WeakPolarHBondContact CD2-ND1 3.41Å; L59-W256 WeakPolarHBondContact CD1-O 3.32Å
60	G	85.6	Confident	85.8	Confident	55 Å²	55	65 Å²	65	57%	0.567	39%	0.393	S	S	*	.			trans	68	-159	-170.3	0	0	0	0	0	112.4	S58 C62	S58-G60 VanDerWaalsContact C-N 3.34Å; S58-G60 PolarHBondContact OG-N 3.47Å; G60-C62 PolarHBondContact O-N 3.23Å
61	S	85.3	Confident	87.5	Confident	137 Å²	137	60.5 Å²	60.5	96%	0.958	36%	0.361	S	S	*	.	S	Bend	trans	-84.7	95	178.8	-59.7	0	0	0	0	110.7
62	C	91	Very high	89.1	Confident	61 Å²	61	58.9 Å²	58.9	41%	0.412	35%	0.349	S	S	.	.			trans	-149.6	168.1	169.7	71.9	0	0	0	0	112.2	G60 C255	G60-C62 PolarHBondContact O-N 3.23Å; C62-C255 HydrophobicContact CB-CB 4.13Å; C62-C255 WeakPolarHBondContact CB-SG 3.44Å; C62-C255 WeakPolarHBondContact SG-CB 3.48Å; C62-C255 CovalentContact SG-SG 2.02Å; C62-C255 PolarHBondContact SG-SG 2.98Å
63	R	91.1	Very high	90.9	Very high	219 Å²	219	53.5 Å²	53.5	83%	0.826	32%	0.315	S	S	*	.			trans	-111.7	136.9	-179.4	-67.8	-175.2	-179.9	-176.8	0.3	110	H65 C255	R63-H65 PolarHBondContact O-N 2.91Å; R63-C255 WeakPolarHBondContact O-CB 3.35Å
64	P	95.5	Very high	92.2	Very high	78 Å²	78	48.6 Å²	48.6	51%	0.506	29%	0.288	S	S	.	.			trans	-54.5	126	176	-25.9	34.2	0	0	0	111.8
65	H	97.1	Very high	93.1	Very high	63 Å²	63	50.1 Å²	50.1	29%	0.292	29%	0.294	S	S	.	.			trans	-74.7	130.7	173.7	-76.4	-84.4	0	0	0	110	R63 A253 L254 W256	R63-H65 PolarHBondContact O-N 2.91Å; H65-A253 PolarHBondContact CD2-O 3.24Å; H65-L254 HydrophobicContact CB-CD2 3.96Å; H65-L254 PolarHBondContact N-O 3.05Å; H65-W256 PolarHBondContact O-NE1 3.27Å
66	T	97.8	Very high	93.8	Very high	46 Å²	46	44.4 Å²	44.4	28%	0.282	27%	0.267	S	S	.	.			trans	-115.8	-28	177.6	54.1	0	0	0	0	112.5	I68 F88 L94 H127	T66-I68 PolarHBondContact O-N 3.39Å; T66-F88 HydrophobicContact CG2-CE1 4.48Å; T66-L94 HydrophobicContact CG2-CD1 4.09Å; T66-L94 HydrophobicContact CG2-CD2 4.21Å; T66-H127 CarbonylContact O-C 3.54Å; T66-H127 WeakPolarHBondContact O-CB 3.44Å
67	H	98.5	Very high	94.3	Very high	19 Å²	19	45 Å²	45	9%	0.088	27%	0.269	C	S	.	.			trans	-83.3	104.1	172.2	-61.4	154.5	0	0	0	110.4	E125 H127 D147 T148 F149	H67-E125 IonicContact CE1-OE1 2.77Å; H67-E125 PolarHBondContact CE1-OE1 3.44Å; H67-E125 IonicContact NE2-OE1 2.8Å; H67-E125 PolarHBondContact NE2-OE1 2.9Å; H67-H127 CarbonylContact C-O 3.57Å; H67-H127 VanDerWaalsContact CA-O 3.27Å; H67-H127 WeakPolarHBondContact CA-O 3.47Å; H67-H127 AromaticContact CD2-CD2 3.72Å; H67-H127 AromaticContact NE2-CD2 3.61Å; H67-D147 IonicContact CE1-OD1 2.64Å; H67-D147 IonicContact CE1-OD2 2.91Å; H67-D147 IonicContact CG-OD1 3.71Å; H67-D147 IonicContact CG-OD2 3.27Å; H67-D147 VanDerWaalsContact ND1-CG 3.27Å; H67-D147 IonicContact ND1-OD1 3.66Å; H67-D147 PolarHBondContact ND1-OD1 3.06Å; H67-D147 IonicContact ND1-OD2 2.78Å; H67-D147 PolarHBondContact ND1-OD2 3.19Å; H67-T148 CarbonylContact O-C 3.54Å; H67-T148 WeakPolarHBondContact O-CA 3.21Å; H67-F149 PolarHBondContact O-N 3.36Å
68	I	98.8	Very high	94.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	127.2	-168.6	-61.5	173.1	0	0	0	110.3	T66 L85 H127 I128 M129 M144 F151 L254 W256	T66-I68 PolarHBondContact O-N 3.39Å; I68-L85 HydrophobicContact CD1-CD2 4.35Å; I68-L85 HydrophobicContact CG2-CD2 4.14Å; I68-H127 PolarHBondContact N-O 3.27Å; I68-I128 HydrophobicContact CB-CG1 4.4Å; I68-I128 WeakPolarHBondContact O-CA 3.33Å; I68-M129 PolarHBondContact O-N 2.92Å; I68-M144 VanDerWaalsContact O-CE 3.31Å; I68-M144 WeakPolarHBondContact O-CE 3.48Å; I68-F151 HydrophobicContact CG2-CD1 4.08Å; I68-F151 HydrophobicContact CG2-CE1 3.51Å; I68-L254 HydrophobicContact CD1-CD1 4.05Å; I68-L254 HydrophobicContact CD1-CD2 3.93Å; I68-L254 HydrophobicContact CG1-CD2 4.08Å; I68-W256 HydrophobicContact CD1-CH2 3.82Å; I68-W256 HydrophobicContact CD1-CZ2 3.18Å
69	M	98.8	Very high	95.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	114.1	166.1	-173.2	-79.5	-178.1	0	0	109.1	L71 M129 M133 F135 V140 T148 F149 Y150 F151 F234	M69-L71 HydrophobicContact CE-CB 3.9Å; M69-L71 HydrophobicContact CE-CD1 4.24Å; M69-L71 HydrophobicContact SD-CB 4.15Å; M69-L71 PolarHBondContact SD-N 3.14Å; M69-M129 WeakPolarHBondContact CA-O 3.4Å; M69-M133 HydrophobicContact CE-CE 3.85Å; M69-M133 HydrophobicContact CE-SD 3.75Å; M69-F135 HydrophobicContact CE-CD2 3.48Å; M69-F135 VanDerWaalsContact CE-CD2 3.48Å; M69-F135 HydrophobicContact CE-CE2 3.45Å; M69-F135 VanDerWaalsContact CE-CE2 3.45Å; M69-F135 HydrophobicContact SD-CE2 4.28Å; M69-V140 HydrophobicContact CE-CG2 4.3Å; M69-V140 HydrophobicContact CG-CG1 3.88Å; M69-T148 HydrophobicContact CB-CG2 3.62Å; M69-T148 VanDerWaalsContact N-CG2 3.35Å; M69-F149 PolarHBondContact N-O 2.97Å; M69-Y150 HydrophobicContact CB-CD1 3.69Å; M69-Y150 HydrophobicContact CB-CD2 4.49Å; M69-Y150 HydrophobicContact CB-CE1 3.73Å; M69-Y150 HydrophobicContact CB-CG 4.08Å; M69-Y150 HydrophobicContact CG-CD1 3.78Å; M69-Y150 HydrophobicContact CG-CE1 3.68Å; M69-Y150 WeakPolarHBondContact O-CA 3.38Å; M69-Y150 HydrophobicContact SD-CD1 3.6Å; M69-Y150 VanDerWaalsContact SD-CD1 3.6Å; M69-Y150 HydrophobicContact SD-CE1 3.98Å; M69-F151 PolarHBondContact O-N 3.47Å; M69-F234 HydrophobicContact SD-CE1 4.13Å
70	F	98.9	Very high	95.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	110.6	172.3	173.5	-131.8	0	0	0	109.4	K72 V81 L82 L85 M129 G130 F151 I153	F70-K72 HydrophobicContact CD1-CB 4.11Å; F70-K72 HydrophobicContact CE1-CB 3.82Å; F70-K72 HydrophobicContact CE1-CG 3.85Å; F70-K72 HydrophobicContact CZ-CB 4.35Å; F70-K72 HydrophobicContact CZ-CG 4.37Å; F70-K72 PolarHBondContact O-N 3.32Å; F70-V81 HydrophobicContact CD1-CG1 4.05Å; F70-V81 HydrophobicContact CD2-CG1 4.19Å; F70-V81 HydrophobicContact CE1-CB 3.78Å; F70-V81 HydrophobicContact CE1-CG1 3.67Å; F70-V81 HydrophobicContact CE2-CB 4.39Å; F70-V81 HydrophobicContact CE2-CG1 3.84Å; F70-V81 HydrophobicContact CG-CG1 4.3Å; F70-V81 HydrophobicContact CZ-CB 3.67Å; F70-V81 HydrophobicContact CZ-CG1 3.56Å; F70-V81 HydrophobicContact CZ-CG2 4.3Å; F70-L82 HydrophobicContact CE1-CB 4.4Å; F70-L85 HydrophobicContact CB-CD1 3.4Å; F70-L85 HydrophobicContact CD1-CD1 3.73Å; F70-L85 HydrophobicContact CG-CD1 3.79Å; F70-M129 PolarHBondContact N-O 3.38Å; F70-G130 WeakPolarHBondContact O-CA 3.45Å; F70-F151 WeakPolarHBondContact CA-O 3.36Å; F70-F151 HydrophobicContact CB-CD1 4.31Å; F70-F151 HydrophobicContact CB-CE1 3.67Å; F70-F151 HydrophobicContact CB-CE2 4.42Å; F70-F151 HydrophobicContact CB-CZ 3.74Å; F70-F151 HydrophobicContact CD2-CD1 4.45Å; F70-F151 AromaticContact CD2-CD2 3.74Å; F70-F151 HydrophobicContact CD2-CD2 3.74Å; F70-F151 HydrophobicContact CD2-CE1 4.09Å; F70-F151 AromaticContact CD2-CE2 3.32Å; F70-F151 HydrophobicContact CD2-CE2 3.32Å; F70-F151 HydrophobicContact CD2-CG 4.3Å; F70-F151 AromaticContact CD2-CZ 3.53Å; F70-F151 HydrophobicContact CD2-CZ 3.53Å; F70-F151 HydrophobicContact CE2-CD2 4.22Å; F70-F151 AromaticContact CE2-CE2 3.77Å; F70-F151 HydrophobicContact CE2-CE2 3.77Å; F70-F151 HydrophobicContact CE2-CZ 4.32Å; F70-F151 HydrophobicContact CG-CE1 4.17Å; F70-F151 HydrophobicContact CG-CE2 4.02Å; F70-F151 AromaticContact CG-CZ 3.73Å; F70-F151 HydrophobicContact CG-CZ 3.73Å; F70-I153 HydrophobicContact CE2-CB 4.35Å; F70-I153 HydrophobicContact CE2-CG2 3.84Å; F70-I153 HydrophobicContact CZ-CG2 3.75Å
71	L	98.9	Very high	96.3	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	100.7	169.1	179.8	61.6	0	0	0	108.8	M69 T73 M133 F135 F151 S152 F210 F234	M69-L71 HydrophobicContact CE-CB 3.9Å; M69-L71 HydrophobicContact CE-CD1 4.24Å; M69-L71 HydrophobicContact SD-CB 4.15Å; M69-L71 PolarHBondContact SD-N 3.14Å; L71-T73 PolarHBondContact O-N 2.95Å; L71-T73 VanDerWaalsContact O-N 3.15Å; L71-M133 HydrophobicContact CD1-CG 3.85Å; L71-M133 HydrophobicContact CD1-SD 4.47Å; L71-F135 HydrophobicContact CD1-CB 3.84Å; L71-F135 HydrophobicContact CD1-CD2 4.24Å; L71-F135 HydrophobicContact CD1-CG 4.38Å; L71-F135 HydrophobicContact CD2-CB 3.83Å; L71-F135 HydrophobicContact CD2-CD2 4.42Å; L71-F135 HydrophobicContact CD2-CG 4.1Å; L71-F135 HydrophobicContact CG-CB 4.49Å; L71-F151 PolarHBondContact N-O 3.05Å; L71-S152 PolarHBondContact O-OG 2.8Å; L71-F210 HydrophobicContact CD2-CD1 3.35Å; L71-F210 HydrophobicContact CD2-CE1 3.65Å; L71-F210 HydrophobicContact CD2-CG 4.03Å; L71-F234 HydrophobicContact CB-CE1 3.54Å; L71-F234 HydrophobicContact CB-CZ 3.86Å; L71-F234 HydrophobicContact CD2-CE1 4.16Å; L71-F234 HydrophobicContact CD2-CE2 4.38Å; L71-F234 HydrophobicContact CD2-CZ 3.62Å; L71-F234 HydrophobicContact CG-CZ 4.38Å
72	K	98.4	Very high	96.9	Very high	1 Å²	1	28.5 Å²	28.5	0%	0.004	15%	0.149	C	C	.	.			trans	-77	100.2	178.5	-169.2	-166.3	-178.3	-149.2	0	111.5	F70 S78 S79 L82 G130 H132 E393	F70-K72 HydrophobicContact CD1-CB 4.11Å; F70-K72 HydrophobicContact CE1-CB 3.82Å; F70-K72 HydrophobicContact CE1-CG 3.85Å; F70-K72 HydrophobicContact CZ-CB 4.35Å; F70-K72 HydrophobicContact CZ-CG 4.37Å; F70-K72 PolarHBondContact O-N 3.32Å; K72-S78 WeakPolarHBondContact CE-OG 3.35Å; K72-S78 VanDerWaalsContact CG-CB 3.46Å; K72-S78 VanDerWaalsContact CG-OG 3.27Å; K72-S78 WeakPolarHBondContact CG-OG 3.47Å; K72-S79 PolarHBondContact NZ-OG 3.48Å; K72-L82 HydrophobicContact CD-CD2 3.99Å; K72-G130 VanDerWaalsContact CB-O 3.25Å; K72-G130 WeakPolarHBondContact CB-O 3.36Å; K72-H132 WeakPolarHBondContact CE-NE2 3.36Å; K72-H132 PolarHBondContact NZ-CD2 3.37Å; K72-H132 PolarHBondContact NZ-NE2 2.84Å; K72-H132 PolarHBondContact O-ND1 3.23Å; K72-E393 IonicContact NZ-OE1 3.12Å; K72-E393 PolarHBondContact NZ-OE1 3.26Å; K72-E393 IonicContact NZ-OE2 2.72Å; K72-E393 PolarHBondContact NZ-OE2 3.27Å
73	T	98.5	Very high	97.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.131	C	C	.	.			trans	-78.3	155.5	173.3	59.1	0	0	0	0	112.1	L71 T76 S78 I153 L206 D209 F210	L71-T73 PolarHBondContact O-N 2.95Å; L71-T73 VanDerWaalsContact O-N 3.15Å; T73-T76 PolarHBondContact O-OG1 3.13Å; T73-T76 WeakPolarHBondContact OG1-CB 3.46Å; T73-T76 VanDerWaalsContact OG1-CG2 3.23Å; T73-T76 WeakPolarHBondContact OG1-CG2 3.47Å; T73-T76 PolarHBondContact OG1-OG1 2.87Å; T73-S78 VanDerWaalsContact O-CB 3.31Å; T73-S78 WeakPolarHBondContact O-CB 3.49Å; T73-S78 PolarHBondContact O-OG 3.13Å; T73-I153 WeakPolarHBondContact CG2-O 3.5Å; T73-I153 PolarHBondContact OG1-O 3.07Å; T73-L206 HydrophobicContact CG2-CD2 4.06Å; T73-D209 VanDerWaalsContact CA-OD2 3.25Å; T73-D209 WeakPolarHBondContact CA-OD2 3.49Å; T73-D209 HydrophobicContact CG2-CB 4.05Å; T73-F210 HydrophobicContact CG2-CE2 4.4Å
74	H	97.8	Very high	97.6	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	136.8	-177.1	-71.8	91	0	0	0	112.3	T76 Y106 H132 Y168 L205 D209	H74-T76 VanDerWaalsContact C-N 3.29Å; H74-T76 PolarHBondContact O-N 3.11Å; H74-Y106 AromaticContact CE1-CE1 3.91Å; H74-Y106 AromaticContact CE1-CE2 3.48Å; H74-Y106 VanDerWaalsContact CE1-CE2 3.48Å; H74-Y106 WeakPolarHBondContact CE1-CE2 3.38Å; H74-Y106 AromaticContact CE1-CZ 3.39Å; H74-H132 AromaticContact CD2-CE1 3.36Å; H74-H132 PolarHBondContact CD2-CE1 3.4Å; H74-H132 AromaticContact CD2-ND1 3.87Å; H74-H132 AromaticContact CD2-NE2 3.67Å; H74-H132 AromaticContact CE1-CE1 3.76Å; H74-H132 AromaticContact CE1-ND1 3.49Å; H74-H132 PolarHBondContact CE1-ND1 3.44Å; H74-H132 AromaticContact CG-CE1 3.76Å; H74-H132 AromaticContact ND1-CE1 3.97Å; H74-H132 AromaticContact ND1-ND1 3.96Å; H74-H132 AromaticContact NE2-CD2 3.85Å; H74-H132 AromaticContact NE2-CE1 3.39Å; H74-H132 PolarHBondContact NE2-CE1 3.29Å; H74-H132 AromaticContact NE2-CG 3.72Å; H74-H132 AromaticContact NE2-ND1 3.43Å; H74-H132 PolarHBondContact NE2-ND1 3.15Å; H74-H132 AromaticContact NE2-NE2 3.68Å; H74-Y168 PolarHBondContact CD2-OH 2.74Å; H74-L205 HydrophobicContact CB-CD1 4.44Å; H74-L205 HydrophobicContact CB-CD2 3.65Å; H74-L205 HydrophobicContact CB-CG 4.06Å; H74-D209 IonicContact CE1-OD1 2.69Å; H74-D209 PolarHBondContact CE1-OD1 3.41Å; H74-D209 IonicContact CG-OD2 3.39Å; H74-D209 PolarHBondContact N-OD2 2.87Å; H74-D209 IonicContact ND1-OD1 2.83Å; H74-D209 PolarHBondContact ND1-OD1 2.83Å; H74-D209 IonicContact ND1-OD2 3.43Å; H74-D209 PolarHBondContact ND1-OD2 2.87Å; H74-D209 VanDerWaalsContact ND1-OD2 3.14Å
75	K	95.8	Very high	97.8	Very high	41 Å²	41	11.7 Å²	11.7	18%	0.178	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	25.6	171.6	-43.6	-49.3	-57.8	178.7	0	115.5	R155 L160 S163 Y167 Y168	K75-R155 VanDerWaalsContact O-CD 3.3Å; K75-R155 WeakPolarHBondContact O-CD 3.34Å; K75-R155 PolarHBondContact O-NH1 3.42Å; K75-L160 HydrophobicContact CB-CG 4.41Å; K75-S163 WeakPolarHBondContact CE-OG 3.4Å; K75-Y167 HydrophobicContact CD-CG 4.44Å; K75-Y168 HydrophobicContact CD-CE2 3.86Å; K75-Y168 HydrophobicContact CG-CE2 4.17Å
76	T	96.9	Very high	97.8	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.054	C	C	.	.	S	Bend	trans	-113.2	29.4	-178	52	0	0	0	0	113.1	T73 H74 S78 I153 R155 L160 L206 S240	T73-T76 PolarHBondContact O-OG1 3.13Å; T73-T76 WeakPolarHBondContact OG1-CB 3.46Å; T73-T76 VanDerWaalsContact OG1-CG2 3.23Å; T73-T76 WeakPolarHBondContact OG1-CG2 3.47Å; T73-T76 PolarHBondContact OG1-OG1 2.87Å; H74-T76 VanDerWaalsContact C-N 3.29Å; H74-T76 PolarHBondContact O-N 3.11Å; T76-S78 PolarHBondContact O-N 2.96Å; T76-S78 WeakPolarHBondContact OG1-CB 3.19Å; T76-I153 VanDerWaalsContact O-CD1 3.26Å; T76-I153 WeakPolarHBondContact O-CD1 3.43Å; T76-I153 WeakPolarHBondContact OG1-CG2 3.29Å; T76-R155 HydrophobicContact CG2-CB 3.78Å; T76-L160 HydrophobicContact CG2-CD1 4.05Å; T76-L206 HydrophobicContact CG2-CD2 3.76Å; T76-S240 VanDerWaalsContact C-OG 3.28Å; T76-S240 WeakPolarHBondContact CA-OG 3.47Å; T76-S240 PolarHBondContact O-OG 2.86Å
77	A	95.4	Very high	97.8	Very high	43 Å²	43	7 Å²	7	36%	0.355	4%	0.042	S	C	.	.	S	Bend	trans	56.5	18.2	-171.4	0	0	0	0	0	114.7	S79 T80 F243	A77-S79 VanDerWaalsContact C-N 3.3Å; A77-S79 PolarHBondContact O-N 2.83Å; A77-T80 VanDerWaalsContact O-CB 3.29Å; A77-T80 WeakPolarHBondContact O-CB 3.46Å; A77-T80 PolarHBondContact O-N 3.07Å; A77-F243 HydrophobicContact CB-CD2 4Å; A77-F243 HydrophobicContact CB-CE2 3.67Å
78	S	96.9	Very high	97.8	Very high	4 Å²	4	6.1 Å²	6.1	3%	0.028	4%	0.038	C	C	.	.	H	α-helix	trans	-67.1	-21.2	-174	63.5	0	0	0	0	114.9	K72 T73 T76 T80 V81 L82	K72-S78 WeakPolarHBondContact CE-OG 3.35Å; K72-S78 VanDerWaalsContact CG-CB 3.46Å; K72-S78 VanDerWaalsContact CG-OG 3.27Å; K72-S78 WeakPolarHBondContact CG-OG 3.47Å; T73-S78 VanDerWaalsContact O-CB 3.31Å; T73-S78 WeakPolarHBondContact O-CB 3.49Å; T73-S78 PolarHBondContact O-OG 3.13Å; T76-S78 PolarHBondContact O-N 2.96Å; T76-S78 WeakPolarHBondContact OG1-CB 3.19Å; S78-T80 VanDerWaalsContact C-N 3.28Å; S78-T80 PolarHBondContact O-N 3.31Å; S78-V81 PolarHBondContact O-N 2.81Å; S78-L82 WeakPolarHBondContact O-CB 3.05Å; S78-L82 PolarHBondContact O-N 3.18Å
79	S	95.8	Very high	97.7	Very high	18 Å²	18	6.1 Å²	6.1	13%	0.126	4%	0.038	C	C	.	.	H	α-helix	trans	-65.7	-29.8	169.9	-68.4	0	0	0	0	112.9	K72 A77 N83 N267 E393	K72-S79 PolarHBondContact NZ-OG 3.48Å; A77-S79 VanDerWaalsContact C-N 3.3Å; A77-S79 PolarHBondContact O-N 2.83Å; S79-N83 WeakPolarHBondContact O-CB 3.44Å; S79-N83 PolarHBondContact O-N 3.31Å; S79-N267 WeakPolarHBondContact CB-ND2 3.41Å; S79-N267 PolarHBondContact OG-ND2 3.1Å; S79-E393 PolarHBondContact OG-OE2 3.44Å
80	T	97.1	Very high	97.6	Very high	4 Å²	4	7 Å²	7	3%	0.025	4%	0.042	C	C	.	.	H	α-helix	trans	-68.2	-45.8	174.5	-58.2	0	0	0	0	110.3	A77 S78 L82 N83 M84 F243 F263 L266	A77-T80 VanDerWaalsContact O-CB 3.29Å; A77-T80 WeakPolarHBondContact O-CB 3.46Å; A77-T80 PolarHBondContact O-N 3.07Å; S78-T80 VanDerWaalsContact C-N 3.28Å; S78-T80 PolarHBondContact O-N 3.31Å; T80-L82 VanDerWaalsContact C-N 3.35Å; T80-L82 PolarHBondContact O-N 2.97Å; T80-N83 PolarHBondContact O-N 2.93Å; T80-M84 PolarHBondContact O-N 3.36Å; T80-M84 VanDerWaalsContact O-N 3.12Å; T80-F243 HydrophobicContact CG2-CE1 4.06Å; T80-F243 HydrophobicContact CG2-CZ 3.76Å; T80-F263 HydrophobicContact CG2-CB 3.66Å; T80-F263 HydrophobicContact CG2-CD2 3.47Å; T80-F263 VanDerWaalsContact CG2-CD2 3.47Å; T80-F263 HydrophobicContact CG2-CE2 4.36Å; T80-F263 HydrophobicContact CG2-CG 3.78Å; T80-L266 PolarHBondContact OG1-N 3.11Å
81	V	98.4	Very high	97.5	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-61.4	-43.4	174.6	-179	0	0	0	0	110.9	F70 S78 N83 M84 L85 F151 I153 F243 M247	F70-V81 HydrophobicContact CD1-CG1 4.05Å; F70-V81 HydrophobicContact CD2-CG1 4.19Å; F70-V81 HydrophobicContact CE1-CB 3.78Å; F70-V81 HydrophobicContact CE1-CG1 3.67Å; F70-V81 HydrophobicContact CE2-CB 4.39Å; F70-V81 HydrophobicContact CE2-CG1 3.84Å; F70-V81 HydrophobicContact CG-CG1 4.3Å; F70-V81 HydrophobicContact CZ-CB 3.67Å; F70-V81 HydrophobicContact CZ-CG1 3.56Å; F70-V81 HydrophobicContact CZ-CG2 4.3Å; S78-V81 PolarHBondContact O-N 2.81Å; V81-N83 PolarHBondContact O-N 3.01Å; V81-M84 HydrophobicContact CG1-CE 4.13Å; V81-M84 WeakPolarHBondContact O-CB 3.29Å; V81-M84 PolarHBondContact O-N 2.9Å; V81-L85 WeakPolarHBondContact O-CG 3.41Å; V81-L85 PolarHBondContact O-N 2.96Å; V81-F151 HydrophobicContact CG1-CE2 3.73Å; V81-F151 HydrophobicContact CG1-CZ 3.87Å; V81-I153 HydrophobicContact CG2-CD1 4.19Å; V81-F243 HydrophobicContact CG2-CE2 3.97Å; V81-F243 HydrophobicContact CG2-CZ 3.76Å; V81-M247 HydrophobicContact CG2-CE 4.06Å
82	L	98.3	Very high	97.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-64.4	-38.8	177.9	-176.9	59.6	0	0	0	112.6	F70 K72 S78 T80 M84 L85 Y86 E393	F70-L82 HydrophobicContact CE1-CB 4.4Å; K72-L82 HydrophobicContact CD-CD2 3.99Å; S78-L82 WeakPolarHBondContact O-CB 3.05Å; S78-L82 PolarHBondContact O-N 3.18Å; T80-L82 VanDerWaalsContact C-N 3.35Å; T80-L82 PolarHBondContact O-N 2.97Å; L82-M84 VanDerWaalsContact C-N 3.31Å; L82-M84 PolarHBondContact O-N 2.72Å; L82-L85 PolarHBondContact O-N 2.85Å; L82-Y86 HydrophobicContact CD1-CD1 3.95Å; L82-Y86 HydrophobicContact CD1-CE1 3.58Å; L82-Y86 HydrophobicContact CD1-CE2 4.37Å; L82-Y86 HydrophobicContact CD2-CE2 4.11Å; L82-Y86 HydrophobicContact CG-CD1 4.38Å; L82-Y86 HydrophobicContact CG-CD2 4.26Å; L82-Y86 HydrophobicContact CG-CE1 4.05Å; L82-Y86 HydrophobicContact CG-CE2 3.91Å; L82-Y86 HydrophobicContact CG-CG 4.5Å; L82-Y86 WeakPolarHBondContact O-CB 3.37Å; L82-Y86 PolarHBondContact O-N 2.89Å; L82-E393 HydrophobicContact CD2-CG 3.74Å; L82-E393 WeakPolarHBondContact CD2-OE1 3.47Å
83	N	98.1	Very high	97.2	Very high	5 Å²	5	20.8 Å²	20.8	3%	0.027	12%	0.12	C	C	.	.	H	α-helix	trans	-59.7	-43.3	173.8	174.2	-82	0	0	0	111.4	S79 T80 V81 L85 Y86 R87 L266 R388 M389 R391	S79-N83 WeakPolarHBondContact O-CB 3.44Å; S79-N83 PolarHBondContact O-N 3.31Å; T80-N83 PolarHBondContact O-N 2.93Å; V81-N83 PolarHBondContact O-N 3.01Å; N83-L85 PolarHBondContact O-N 3.45Å; N83-Y86 PolarHBondContact O-N 3.29Å; N83-R87 WeakPolarHBondContact O-CB 3.05Å; N83-R87 VanDerWaalsContact O-CG 3.25Å; N83-R87 WeakPolarHBondContact O-CG 3.41Å; N83-R87 PolarHBondContact O-N 3.39Å; N83-R87 WeakPolarHBondContact OD1-CD 3.33Å; N83-L266 HydrophobicContact CB-CD1 3.47Å; N83-L266 VanDerWaalsContact CB-CD1 3.47Å; N83-R388 PolarHBondContact ND2-O 3.25Å; N83-M389 PolarHBondContact OD1-O 2.9Å; N83-R391 PolarHBondContact ND2-O 3.29Å
84	M	98.1	Very high	97.2	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-58.9	-45.2	175.2	-178.7	-162.5	73.2	0	0	111.8	T80 V81 L82 R87 F88 M247 L250 W256 S260 V261	T80-M84 PolarHBondContact O-N 3.36Å; T80-M84 VanDerWaalsContact O-N 3.12Å; V81-M84 HydrophobicContact CG1-CE 4.13Å; V81-M84 WeakPolarHBondContact O-CB 3.29Å; V81-M84 PolarHBondContact O-N 2.9Å; L82-M84 VanDerWaalsContact C-N 3.31Å; L82-M84 PolarHBondContact O-N 2.72Å; M84-R87 WeakPolarHBondContact O-CB 3.45Å; M84-R87 PolarHBondContact O-N 3.43Å; M84-F88 PolarHBondContact O-N 2.92Å; M84-M247 HydrophobicContact CE-SD 4.49Å; M84-M247 HydrophobicContact SD-SD 3.8Å; M84-L250 HydrophobicContact CE-CD2 3.29Å; M84-L250 HydrophobicContact CE-CG 4.48Å; M84-L250 HydrophobicContact SD-CD2 4.35Å; M84-W256 HydrophobicContact CE-CZ3 4.12Å; M84-W256 HydrophobicContact CG-CZ3 4.44Å; M84-S260 WeakPolarHBondContact CG-O 3.33Å; M84-V261 HydrophobicContact SD-CB 3.97Å; M84-V261 HydrophobicContact SD-CG1 3.93Å
85	L	98.6	Very high	97.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64.3	-42.3	175.4	-63.5	177	0	0	0	112.7	I68 F70 V81 L82 N83 R87 F88 G89 I128 F151 W256	I68-L85 HydrophobicContact CD1-CD2 4.35Å; I68-L85 HydrophobicContact CG2-CD2 4.14Å; F70-L85 HydrophobicContact CB-CD1 3.4Å; F70-L85 HydrophobicContact CD1-CD1 3.73Å; F70-L85 HydrophobicContact CG-CD1 3.79Å; V81-L85 WeakPolarHBondContact O-CG 3.41Å; V81-L85 PolarHBondContact O-N 2.96Å; L82-L85 PolarHBondContact O-N 2.85Å; N83-L85 PolarHBondContact O-N 3.45Å; L85-R87 VanDerWaalsContact C-N 3.31Å; L85-R87 PolarHBondContact O-N 3.23Å; L85-F88 PolarHBondContact O-N 3.41Å; L85-G89 PolarHBondContact O-N 3.21Å; L85-I128 HydrophobicContact CB-CG2 4.12Å; L85-I128 HydrophobicContact CD1-CG2 4.47Å; L85-I128 WeakPolarHBondContact O-CD1 3.44Å; L85-F151 HydrophobicContact CD1-CE1 4.31Å; L85-F151 HydrophobicContact CD1-CZ 4.03Å; L85-F151 HydrophobicContact CD2-CE1 4.31Å; L85-F151 HydrophobicContact CD2-CZ 4.14Å; L85-F151 HydrophobicContact CG-CZ 4.49Å; L85-W256 HydrophobicContact CD2-CH2 3.47Å; L85-W256 VanDerWaalsContact CD2-CH2 3.47Å; L85-W256 HydrophobicContact CD2-CZ2 4.44Å; L85-W256 HydrophobicContact CD2-CZ3 3.94Å
86	Y	98.4	Very high	97.3	Very high	1 Å²	1	25.5 Å²	25.5	0%	0.004	14%	0.138	C	C	.	.	H	α-helix	trans	-61.7	-39.8	175.8	-76.1	-11.7	0	0	0	112.5	L82 N83 D90 F96 L98 N131 Y396 K397 L400	L82-Y86 HydrophobicContact CD1-CD1 3.95Å; L82-Y86 HydrophobicContact CD1-CE1 3.58Å; L82-Y86 HydrophobicContact CD1-CE2 4.37Å; L82-Y86 HydrophobicContact CD2-CE2 4.11Å; L82-Y86 HydrophobicContact CG-CD1 4.38Å; L82-Y86 HydrophobicContact CG-CD2 4.26Å; L82-Y86 HydrophobicContact CG-CE1 4.05Å; L82-Y86 HydrophobicContact CG-CE2 3.91Å; L82-Y86 HydrophobicContact CG-CG 4.5Å; L82-Y86 WeakPolarHBondContact O-CB 3.37Å; L82-Y86 PolarHBondContact O-N 2.89Å; N83-Y86 PolarHBondContact O-N 3.29Å; Y86-D90 WeakPolarHBondContact O-CB 3.14Å; Y86-D90 PolarHBondContact O-N 3.46Å; Y86-F96 AromaticContact CD1-CD1 3.9Å; Y86-F96 HydrophobicContact CD1-CD1 3.9Å; Y86-F96 AromaticContact CD1-CE1 3.61Å; Y86-F96 HydrophobicContact CD1-CE1 3.61Å; Y86-F96 HydrophobicContact CD1-CZ 4.32Å; Y86-F96 HydrophobicContact CE1-CD1 4.12Å; Y86-F96 HydrophobicContact CE1-CE1 4.29Å; Y86-L98 HydrophobicContact CE1-CD2 4.49Å; Y86-N131 VanDerWaalsContact OH-CG 3.29Å; Y86-N131 PolarHBondContact OH-ND2 2.62Å; Y86-N131 PolarHBondContact OH-OD1 3.34Å; Y86-Y396 HydrophobicContact CD2-CD1 4.18Å; Y86-Y396 HydrophobicContact CD2-CD2 4.42Å; Y86-Y396 AromaticContact CD2-CG 3.89Å; Y86-Y396 HydrophobicContact CD2-CG 3.89Å; Y86-K397 HydrophobicContact CE2-CB 4.25Å; Y86-L400 HydrophobicContact CD1-CD1 3.37Å; Y86-L400 HydrophobicContact CD2-CD1 3.94Å; Y86-L400 HydrophobicContact CE1-CD1 3.7Å; Y86-L400 HydrophobicContact CE2-CD1 4.24Å; Y86-L400 HydrophobicContact CG-CD1 3.48Å; Y86-L400 VanDerWaalsContact CG-CD1 3.48Å
87	R	97.5	Very high	97.4	Very high	8 Å²	8	25.6 Å²	25.6	3%	0.03	14%	0.138	C	C	.	.	H	α-helix	trans	-62.3	-54.8	175.8	-76	169.3	54.2	-149.1	-13.1	111.6	N83 M84 L85 G89 D90 E91 D259 V262 R388 Y396	N83-R87 WeakPolarHBondContact O-CB 3.05Å; N83-R87 VanDerWaalsContact O-CG 3.25Å; N83-R87 WeakPolarHBondContact O-CG 3.41Å; N83-R87 PolarHBondContact O-N 3.39Å; N83-R87 WeakPolarHBondContact OD1-CD 3.33Å; M84-R87 WeakPolarHBondContact O-CB 3.45Å; M84-R87 PolarHBondContact O-N 3.43Å; L85-R87 VanDerWaalsContact C-N 3.31Å; L85-R87 PolarHBondContact O-N 3.23Å; R87-G89 VanDerWaalsContact C-N 3.32Å; R87-G89 PolarHBondContact O-N 2.99Å; R87-D90 PolarHBondContact O-N 3.08Å; R87-E91 WeakPolarHBondContact O-CB 3.43Å; R87-E91 WeakPolarHBondContact O-CG 3.46Å; R87-E91 PolarHBondContact O-N 2.67Å; R87-D259 PolarHBondContact NH2-O 2.87Å; R87-D259 VanDerWaalsContact NH2-O 3.16Å; R87-V262 PolarHBondContact NH1-O 2.91Å; R87-R388 HydrophobicContact CG-CB 4.03Å; R87-Y396 WeakPolarHBondContact CA-OH 3.3Å; R87-Y396 HydrophobicContact CG-CE1 3.81Å
88	F	97.6	Very high	97.5	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.009	12%	0.121	C	C	.	.	H	α-helix	trans	-55.8	-49.2	179.9	-178.2	-91	0	0	0	111	T66 M84 L85 E91 H92 L94 W256	T66-F88 HydrophobicContact CG2-CE1 4.48Å; M84-F88 PolarHBondContact O-N 2.92Å; L85-F88 PolarHBondContact O-N 3.41Å; F88-E91 PolarHBondContact O-N 2.84Å; F88-H92 AromaticContact CD2-CE1 3.68Å; F88-H92 AromaticContact CD2-ND1 3.83Å; F88-H92 AromaticContact CE2-CE1 3.41Å; F88-H92 VanDerWaalsContact CE2-CE1 3.41Å; F88-H92 WeakPolarHBondContact CE2-CE1 3.29Å; F88-H92 AromaticContact CE2-ND1 3.78Å; F88-H92 AromaticContact CE2-NE2 3.98Å; F88-H92 AromaticContact CZ-CE1 3.84Å; F88-H92 AromaticContact CZ-ND1 3.92Å; F88-H92 PolarHBondContact O-N 3.13Å; F88-H92 VanDerWaalsContact O-N 3.07Å; F88-H92 PolarHBondContact O-ND1 3.04Å; F88-L94 HydrophobicContact CD1-CD1 4.07Å; F88-L94 HydrophobicContact CE1-CD1 3.96Å; F88-W256 HydrophobicContact CB-CE3 4.31Å; F88-W256 HydrophobicContact CB-CH2 3.43Å; F88-W256 VanDerWaalsContact CB-CH2 3.43Å; F88-W256 HydrophobicContact CB-CZ2 3.94Å; F88-W256 HydrophobicContact CB-CZ3 3.66Å; F88-W256 HydrophobicContact CD1-CD2 4.47Å; F88-W256 AromaticContact CD1-CE2 3.64Å; F88-W256 AromaticContact CD1-CH2 3.54Å; F88-W256 HydrophobicContact CD1-CH2 3.54Å; F88-W256 AromaticContact CD1-CZ2 3.09Å; F88-W256 HydrophobicContact CD1-CZ2 3.09Å; F88-W256 HydrophobicContact CD1-CZ3 4.39Å; F88-W256 AromaticContact CD2-CD2 3.72Å; F88-W256 HydrophobicContact CD2-CD2 3.72Å; F88-W256 AromaticContact CD2-CE2 3.68Å; F88-W256 AromaticContact CD2-CE3 3.95Å; F88-W256 HydrophobicContact CD2-CE3 3.95Å; F88-W256 HydrophobicContact CD2-CG 4.23Å; F88-W256 HydrophobicContact CD2-CH2 4.07Å; F88-W256 AromaticContact CD2-CZ2 3.85Å; F88-W256 HydrophobicContact CD2-CZ2 3.85Å; F88-W256 HydrophobicContact CD2-CZ3 4.13Å; F88-W256 AromaticContact CE1-CE2 3.57Å; F88-W256 HydrophobicContact CE1-CH2 4.3Å; F88-W256 AromaticContact CE1-CZ2 3.41Å; F88-W256 HydrophobicContact CE1-CZ2 3.41Å; F88-W256 VanDerWaalsContact CE1-CZ2 3.41Å; F88-W256 AromaticContact CE1-NE1 3.59Å; F88-W256 AromaticContact CE2-CD1 3.75Å; F88-W256 AromaticContact CE2-CD2 3.82Å; F88-W256 HydrophobicContact CE2-CD2 3.82Å; F88-W256 AromaticContact CE2-CE2 3.62Å; F88-W256 HydrophobicContact CE2-CE3 4.5Å; F88-W256 AromaticContact CE2-CG 3.91Å; F88-W256 HydrophobicContact CE2-CG 3.91Å; F88-W256 HydrophobicContact CE2-CZ2 4.12Å; F88-W256 AromaticContact CE2-NE1 3.6Å; F88-W256 HydrophobicContact CG-CD2 4.06Å; F88-W256 AromaticContact CG-CE2 3.68Å; F88-W256 HydrophobicContact CG-CE3 4.11Å; F88-W256 AromaticContact CG-CH2 3.39Å; F88-W256 HydrophobicContact CG-CH2 3.39Å; F88-W256 AromaticContact CG-CZ2 3.33Å; F88-W256 HydrophobicContact CG-CZ2 3.33Å; F88-W256 AromaticContact CG-CZ3 3.8Å; F88-W256 HydrophobicContact CG-CZ3 3.8Å; F88-W256 AromaticContact CZ-CD1 3.78Å; F88-W256 HydrophobicContact CZ-CD2 4.24Å; F88-W256 AromaticContact CZ-CE2 3.56Å; F88-W256 HydrophobicContact CZ-CG 4.36Å; F88-W256 AromaticContact CZ-CZ2 3.92Å; F88-W256 HydrophobicContact CZ-CZ2 3.92Å; F88-W256 AromaticContact CZ-NE1 3.28Å; F88-W256 VanDerWaalsContact CZ-NE1 3.28Å
89	G	98	Very high	97.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-67.6	-36.8	179.2	0	0	0	0	0	114	L85 R87 H92 S93 L94	L85-G89 PolarHBondContact O-N 3.21Å; R87-G89 VanDerWaalsContact C-N 3.32Å; R87-G89 PolarHBondContact O-N 2.99Å; G89-H92 CarbonylContact O-C 3.59Å; G89-H92 PolarHBondContact O-N 3.32Å; G89-S93 PolarHBondContact O-N 3.46Å; G89-L94 PolarHBondContact O-N 2.92Å
90	D	97.3	Very high	97.4	Very high	17 Å²	17	28.1 Å²	28.1	9%	0.091	14%	0.144	C	C	.	.	H	α-helix	trans	-65.6	-37.7	175.5	-173.3	30.4	0	0	0	111.9	Y86 R87 R388 Y396 L400 K403	Y86-D90 WeakPolarHBondContact O-CB 3.14Å; Y86-D90 PolarHBondContact O-N 3.46Å; R87-D90 PolarHBondContact O-N 3.08Å; D90-R388 IonicContact OD1-NH2 2.72Å; D90-R388 IonicContact OD2-CZ 2.72Å; D90-R388 IonicContact OD2-NE 3.81Å; D90-R388 PolarHBondContact OD2-NE 3.15Å; D90-R388 IonicContact OD2-NH2 3.95Å; D90-R388 PolarHBondContact OD2-NH2 2.98Å; D90-Y396 HydrophobicContact CB-CE2 4.46Å; D90-Y396 PolarHBondContact OD2-OH 2.87Å; D90-L400 HydrophobicContact CB-CD2 3.99Å; D90-K403 IonicContact OD1-NZ 3.87Å; D90-K403 PolarHBondContact OD1-NZ 2.92Å; D90-K403 IonicContact OD2-NZ 2.79Å; D90-K403 PolarHBondContact OD2-NZ 3.21Å
91	E	95.1	Very high	97.2	Very high	78 Å²	78	29.6 Å²	29.6	36%	0.364	16%	0.16	S	C	.	.	H	α-helix	trans	-70.3	-32.6	177.5	-73.3	166	-172.5	0	0	112.4	R87 F88	R87-E91 WeakPolarHBondContact O-CB 3.43Å; R87-E91 WeakPolarHBondContact O-CG 3.46Å; R87-E91 PolarHBondContact O-N 2.67Å; F88-E91 PolarHBondContact O-N 2.84Å
92	H	95.9	Very high	97	Very high	98 Å²	98	34 Å²	34	45%	0.454	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	10.9	-179.9	-63.6	81.1	0	0	0	113.4	F88 G89 L94	F88-H92 AromaticContact CD2-CE1 3.68Å; F88-H92 AromaticContact CD2-ND1 3.83Å; F88-H92 AromaticContact CE2-CE1 3.41Å; F88-H92 VanDerWaalsContact CE2-CE1 3.41Å; F88-H92 WeakPolarHBondContact CE2-CE1 3.29Å; F88-H92 AromaticContact CE2-ND1 3.78Å; F88-H92 AromaticContact CE2-NE2 3.98Å; F88-H92 AromaticContact CZ-CE1 3.84Å; F88-H92 AromaticContact CZ-ND1 3.92Å; F88-H92 PolarHBondContact O-N 3.13Å; F88-H92 VanDerWaalsContact O-N 3.07Å; F88-H92 PolarHBondContact O-ND1 3.04Å; G89-H92 CarbonylContact O-C 3.59Å; G89-H92 PolarHBondContact O-N 3.32Å; H92-L94 HydrophobicContact CB-CD1 4.41Å; H92-L94 HydrophobicContact CB-CD2 4.26Å; H92-L94 HydrophobicContact CB-CG 3.92Å; H92-L94 PolarHBondContact O-N 3.14Å
93	S	96.7	Very high	96.9	Very high	116 Å²	116	37.4 Å²	37.4	81%	0.811	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	35.3	-178.7	-56.6	0	0	0	0	114.1	G89	G89-S93 PolarHBondContact O-N 3.46Å
94	L	97.8	Very high	96.9	Very high	23 Å²	23	37.1 Å²	37.1	12%	0.12	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-76.6	149.8	179.5	-59	-174.7	0	0	0	111.8	T66 F88 G89 H92 F96 H127 I128	T66-L94 HydrophobicContact CG2-CD1 4.09Å; T66-L94 HydrophobicContact CG2-CD2 4.21Å; F88-L94 HydrophobicContact CD1-CD1 4.07Å; F88-L94 HydrophobicContact CE1-CD1 3.96Å; G89-L94 PolarHBondContact O-N 2.92Å; H92-L94 HydrophobicContact CB-CD1 4.41Å; H92-L94 HydrophobicContact CB-CD2 4.26Å; H92-L94 HydrophobicContact CB-CG 3.92Å; H92-L94 PolarHBondContact O-N 3.14Å; L94-F96 WeakPolarHBondContact O-CD2 3.21Å; L94-F96 WeakPolarHBondContact O-CE2 3.3Å; L94-H127 HydrophobicContact CB-CB 3.89Å; L94-H127 HydrophobicContact CD1-CB 4.26Å; L94-H127 HydrophobicContact CD2-CB 4.42Å; L94-H127 HydrophobicContact CG-CB 4.42Å; L94-I128 HydrophobicContact CD1-CD1 3.96Å; L94-I128 HydrophobicContact CD1-CG1 4.31Å
95	R	97.9	Very high	96.7	Very high	113 Å²	113	38 Å²	38	43%	0.426	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-85.8	130.4	176.4	-161.5	173.3	-64.1	179.5	2	111.4	E125 F126 H127 I128 Q404	R95-E125 WeakPolarHBondContact CD-O 3.46Å; R95-F126 HydrophobicContact CG-CD1 3.95Å; R95-F126 HydrophobicContact CG-CE1 4.27Å; R95-H127 WeakPolarHBondContact CB-ND1 3.33Å; R95-H127 PolarHBondContact N-ND1 3.37Å; R95-H127 WeakPolarHBondContact O-CA 3.31Å; R95-H127 WeakPolarHBondContact O-CB 3.32Å; R95-H127 PolarHBondContact O-N 3.03Å; R95-I128 PolarHBondContact O-N 3.47Å; R95-Q404 VanDerWaalsContact CG-CD 3.42Å; R95-Q404 HydrophobicContact CG-CG 4.22Å; R95-Q404 VanDerWaalsContact CG-OE1 3.27Å
96	F	98.4	Very high	96.6	Very high	5 Å²	5	38.9 Å²	38.9	2%	0.022	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-101.1	138.7	179.8	-64.6	-91.7	0	0	0	111.7	Y86 L94 L98 F126 I128 L400 Q404	Y86-F96 AromaticContact CD1-CD1 3.9Å; Y86-F96 HydrophobicContact CD1-CD1 3.9Å; Y86-F96 AromaticContact CD1-CE1 3.61Å; Y86-F96 HydrophobicContact CD1-CE1 3.61Å; Y86-F96 HydrophobicContact CD1-CZ 4.32Å; Y86-F96 HydrophobicContact CE1-CD1 4.12Å; Y86-F96 HydrophobicContact CE1-CE1 4.29Å; L94-F96 WeakPolarHBondContact O-CD2 3.21Å; L94-F96 WeakPolarHBondContact O-CE2 3.3Å; F96-L98 HydrophobicContact CB-CD1 4.3Å; F96-L98 HydrophobicContact CB-CD2 3.67Å; F96-L98 HydrophobicContact CB-CG 3.63Å; F96-L98 HydrophobicContact CG-CD2 4.41Å; F96-L98 PolarHBondContact O-N 2.97Å; F96-F126 WeakPolarHBondContact O-CD1 3.43Å; F96-I128 CarbonylContact C-O 3.55Å; F96-I128 WeakPolarHBondContact CA-O 3.42Å; F96-I128 HydrophobicContact CD1-CB 3.67Å; F96-I128 HydrophobicContact CD1-CG2 3.86Å; F96-I128 HydrophobicContact CE1-CB 3.8Å; F96-I128 HydrophobicContact CE1-CD1 3.93Å; F96-I128 HydrophobicContact CE1-CG1 4.38Å; F96-I128 HydrophobicContact CE1-CG2 3.89Å; F96-I128 HydrophobicContact CZ-CD1 4.44Å; F96-L400 HydrophobicContact CD1-CD1 4.21Å; F96-L400 HydrophobicContact CD2-CD1 3.99Å; F96-L400 HydrophobicContact CD2-CD2 4.19Å; F96-L400 HydrophobicContact CD2-CG 4.47Å; F96-L400 HydrophobicContact CE1-CD1 4.1Å; F96-L400 HydrophobicContact CE2-CD1 3.85Å; F96-L400 HydrophobicContact CE2-CD2 3.68Å; F96-L400 HydrophobicContact CE2-CG 4.31Å; F96-L400 HydrophobicContact CG-CD1 4.15Å; F96-L400 HydrophobicContact CZ-CD1 3.89Å; F96-L400 HydrophobicContact CZ-CD2 4.2Å; F96-Q404 PolarHBondContact O-NE2 3.13Å
97	A	98.2	Very high	96.6	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.008	22%	0.218	C	C	.	.			trans	-77.7	74.5	167.2	0	0	0	0	0	109.8	V115 F126 I128 M129 V143 M144	A97-V115 HydrophobicContact CB-CG1 3.94Å; A97-V115 HydrophobicContact CB-CG2 4.2Å; A97-F126 HydrophobicContact CB-CB 4.08Å; A97-F126 HydrophobicContact CB-CD1 4.08Å; A97-F126 HydrophobicContact CB-CG 4.04Å; A97-I128 PolarHBondContact N-O 3.13Å; A97-M129 HydrophobicContact CB-CB 3.89Å; A97-M129 HydrophobicContact CB-CG 3.94Å; A97-M129 HydrophobicContact CB-SD 4.46Å; A97-V143 HydrophobicContact CB-CG1 3.84Å; A97-M144 HydrophobicContact CB-SD 4.49Å
98	L	98.3	Very high	96.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.243	C	C	.	.			trans	-80	147.7	-175.3	-63.4	175.7	0	0	0	112.4	Y86 F96 V115 K116 K397 L400 D401 F405	Y86-L98 HydrophobicContact CE1-CD2 4.49Å; F96-L98 HydrophobicContact CB-CD1 4.3Å; F96-L98 HydrophobicContact CB-CD2 3.67Å; F96-L98 HydrophobicContact CB-CG 3.63Å; F96-L98 HydrophobicContact CG-CD2 4.41Å; F96-L98 PolarHBondContact O-N 2.97Å; L98-V115 CarbonylContact O-C 3.4Å; L98-V115 WeakPolarHBondContact O-CA 3.45Å; L98-K116 PolarHBondContact O-N 3.28Å; L98-K397 HydrophobicContact CD2-CG 4.27Å; L98-L400 HydrophobicContact CD1-CB 3.96Å; L98-D401 HydrophobicContact CD1-CB 4.1Å; L98-F405 HydrophobicContact CD1-CE2 4.38Å
99	P	97.4	Very high	96.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-72.8	156.5	173.6	29.1	-33.7	0	0	0	112.7	G101 Q103 L104 N131	P99-G101 VanDerWaalsContact C-N 3.25Å; P99-G101 PolarHBondContact O-N 3.14Å; P99-Q103 VanDerWaalsContact CB-C 3.41Å; P99-Q103 WeakPolarHBondContact CB-O 3.39Å; P99-L104 HydrophobicContact CB-CD2 3.8Å; P99-L104 HydrophobicContact CB-CG 4Å; P99-N131 VanDerWaalsContact CD-CG 3.46Å; P99-N131 HydrophobicContact CG-CB 4.13Å
100	L	92.3	Very high	96.6	Very high	118 Å²	118	48.8 Å²	48.8	62%	0.618	26%	0.263	S	S	*	.	S	Bend	trans	-61.3	-33.8	167.6	-67.4	170	0	0	0	112.7	R114 K116	L100-R114 PolarHBondContact N-O 3.46Å; L100-K116 HydrophobicContact CD2-CB 3.89Å; L100-K116 HydrophobicContact CD2-CG 3.97Å; L100-K116 HydrophobicContact CG-CB 4.5Å
101	G	92.8	Very high	96.7	Very high	35 Å²	35	50.8 Å²	50.8	36%	0.361	27%	0.274	S	S	.	.	S	Bend	trans	-108	-119.7	174.6	0	0	0	0	0	111.4	P99 K397	P99-G101 VanDerWaalsContact C-N 3.25Å; P99-G101 PolarHBondContact O-N 3.14Å; G101-K397 WeakPolarHBondContact O-CE 3.48Å; G101-K397 PolarHBondContact O-NZ 3.2Å
102	Y	93.5	Very high	96.8	Very high	92 Å²	92	47.1 Å²	47.1	36%	0.361	26%	0.256	S	S	.	.	S	Bend	trans	-114.6	-12.9	173.6	-64.1	-73.7	0	0	0	113.5	I394 K397 D398	Y102-I394 HydrophobicContact CD1-CB 4.43Å; Y102-I394 HydrophobicContact CD1-CG1 4.29Å; Y102-I394 HydrophobicContact CD1-CG2 4.04Å; Y102-I394 HydrophobicContact CE1-CB 4.33Å; Y102-I394 HydrophobicContact CE1-CG2 3.5Å; Y102-K397 HydrophobicContact CD1-CD 3.67Å; Y102-K397 HydrophobicContact CE1-CD 3.97Å; Y102-D398 WeakPolarHBondContact CE1-OD1 3.34Å; Y102-D398 PolarHBondContact OH-OD2 3.07Å
103	Q	96.7	Very high	96.9	Very high	72 Å²	72	48.9 Å²	48.9	34%	0.336	26%	0.264	S	S	.	.	S	Bend	trans	-131.6	152	179.5	-56.7	-174.1	-48.8	0	0	109.6	P99 G105 H132	P99-Q103 VanDerWaalsContact CB-C 3.41Å; P99-Q103 WeakPolarHBondContact CB-O 3.39Å; Q103-G105 PolarHBondContact O-N 3.29Å; Q103-H132 HydrophobicContact CB-CB 4.33Å; Q103-H132 HydrophobicContact CG-CB 3.97Å
104	L	97.8	Very high	96.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.246	C	C	.	.	S	Bend	trans	-84.7	57.5	-179.3	-70.2	164.2	0	0	0	110.7	P99 F110 V115 M129 N131 H132 M133	P99-L104 HydrophobicContact CB-CD2 3.8Å; P99-L104 HydrophobicContact CB-CG 4Å; L104-F110 HydrophobicContact CB-CD2 3.79Å; L104-F110 HydrophobicContact CB-CE2 3.84Å; L104-F110 HydrophobicContact CD1-CE2 4.43Å; L104-F110 HydrophobicContact CD2-CE2 4.1Å; L104-F110 HydrophobicContact CG-CE2 4.35Å; L104-V115 HydrophobicContact CD2-CG2 3.77Å; L104-M129 HydrophobicContact CD1-CE 3.71Å; L104-M129 HydrophobicContact CD1-CG 4.16Å; L104-N131 HydrophobicContact CD1-CB 3.86Å; L104-N131 HydrophobicContact CG-CB 4.06Å; L104-H132 PolarHBondContact N-O 3.1Å; L104-M133 HydrophobicContact CB-CB 3.93Å; L104-M133 HydrophobicContact CD1-CE 3.67Å
105	G	95.3	Very high	96.9	Very high	18 Å²	18	47.9 Å²	47.9	19%	0.186	24%	0.242	C	C	.	.	S	Bend	trans	80.4	11.9	174.5	0	0	0	0	0	116.5	Q103 L108	Q103-G105 PolarHBondContact O-N 3.29Å; G105-L108 PolarHBondContact O-N 2.86Å
106	Y	96.6	Very high	96.8	Very high	20 Å²	20	43.7 Å²	43.7	8%	0.078	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	139.8	176.5	-169.9	-88.2	0	0	0	111.7	H74 R134 H200 Y201 F208	H74-Y106 AromaticContact CE1-CE1 3.91Å; H74-Y106 AromaticContact CE1-CE2 3.48Å; H74-Y106 VanDerWaalsContact CE1-CE2 3.48Å; H74-Y106 WeakPolarHBondContact CE1-CE2 3.38Å; H74-Y106 AromaticContact CE1-CZ 3.39Å; Y106-R134 HydrophobicContact CD2-CB 4.19Å; Y106-R134 HydrophobicContact CE2-CB 4.45Å; Y106-H200 AromaticContact CE1-CE1 3.99Å; Y106-H200 AromaticContact CE1-NE2 3.26Å; Y106-H200 VanDerWaalsContact CE1-NE2 3.26Å; Y106-H200 WeakPolarHBondContact CE1-NE2 3.3Å; Y106-H200 AromaticContact CZ-CD2 3.86Å; Y106-H200 AromaticContact CZ-NE2 3.45Å; Y106-H200 PolarHBondContact OH-CD2 2.88Å; Y106-H200 PolarHBondContact OH-NE2 3.4Å; Y106-Y201 AromaticContact CE1-CE1 3.98Å; Y106-Y201 HydrophobicContact CE1-CE1 3.98Å; Y106-Y201 AromaticContact CE1-CZ 3.92Å; Y106-Y201 WeakPolarHBondContact CE1-OH 3.46Å; Y106-F208 AromaticContact CE2-CD1 3.99Å; Y106-F208 HydrophobicContact CE2-CD1 3.99Å; Y106-F208 AromaticContact CE2-CE1 3.68Å; Y106-F208 HydrophobicContact CE2-CE1 3.68Å; Y106-F208 AromaticContact CZ-CD1 3.96Å; Y106-F208 AromaticContact CZ-CE1 3.6Å; Y106-F208 WeakPolarHBondContact OH-CD1 3.41Å; Y106-F208 WeakPolarHBondContact OH-CE1 3.31Å
107	P	96.6	Very high	96.6	Very high	47 Å²	47	44.9 Å²	44.9	31%	0.305	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	cis	-94.4	6.3	10.7	38.2	-37.7	0	0	0	115.4	R134 F208	P107-R134 VanDerWaalsContact O-CD 3.25Å; P107-R134 WeakPolarHBondContact O-CD 3.37Å; P107-F208 HydrophobicContact CB-CE1 3.98Å; P107-F208 HydrophobicContact CB-CZ 3.94Å; P107-F208 WeakPolarHBondContact O-CZ 3.47Å
108	L	97.8	Very high	96.5	Very high	107 Å²	107	46.5 Å²	46.5	56%	0.56	25%	0.247	S	C	*	.	S	Bend	trans	-71.6	152.4	175.7	-62.6	176.9	0	0	0	110	G105 F110 R134	G105-L108 PolarHBondContact O-N 2.86Å; L108-F110 PolarHBondContact O-N 3.2Å; L108-R134 WeakPolarHBondContact O-CB 3.35Å
109	P	98.5	Very high	96.4	Very high	64 Å²	64	56.3 Å²	56.3	42%	0.416	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-48.7	137.9	171.1	-26.6	35.2	0	0	0	111.1
110	F	98.7	Very high	96.2	Very high	1 Å²	1	57.3 Å²	57.3	0%	0.004	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-55	142.6	-178.6	174.3	-106.1	0	0	0	110.7	L104 L108 R114 V115 M129 M133 R134 N136 E139 V140 V143	L104-F110 HydrophobicContact CB-CD2 3.79Å; L104-F110 HydrophobicContact CB-CE2 3.84Å; L104-F110 HydrophobicContact CD1-CE2 4.43Å; L104-F110 HydrophobicContact CD2-CE2 4.1Å; L104-F110 HydrophobicContact CG-CE2 4.35Å; L108-F110 PolarHBondContact O-N 3.2Å; F110-R114 HydrophobicContact CE2-CB 4.13Å; F110-V115 HydrophobicContact CE2-CG2 4.11Å; F110-V115 HydrophobicContact CZ-CG2 3.84Å; F110-M129 HydrophobicContact CD1-CE 4.22Å; F110-M129 HydrophobicContact CD2-CE 4.16Å; F110-M129 HydrophobicContact CE1-CE 3.56Å; F110-M129 HydrophobicContact CE2-CE 3.49Å; F110-M129 VanDerWaalsContact CE2-CE 3.49Å; F110-M129 HydrophobicContact CG-CE 4.49Å; F110-M129 HydrophobicContact CZ-CE 3.16Å; F110-M133 HydrophobicContact CB-CB 4.22Å; F110-M133 HydrophobicContact CB-CG 4.46Å; F110-M133 HydrophobicContact CB-SD 4.15Å; F110-M133 HydrophobicContact CD1-SD 4.48Å; F110-M133 HydrophobicContact CD2-CB 4.27Å; F110-M133 HydrophobicContact CD2-SD 4.35Å; F110-M133 HydrophobicContact CG-SD 4.04Å; F110-R134 WeakPolarHBondContact CB-O 3.37Å; F110-R134 PolarHBondContact N-O 3.44Å; F110-N136 HydrophobicContact CB-CB 4.1Å; F110-N136 WeakPolarHBondContact O-CB 3.33Å; F110-N136 PolarHBondContact O-ND2 3.42Å; F110-N136 VanDerWaalsContact O-ND2 3.09Å; F110-E139 HydrophobicContact CD1-CB 3.64Å; F110-E139 HydrophobicContact CE1-CB 3.92Å; F110-E139 WeakPolarHBondContact O-CB 3.37Å; F110-E139 WeakPolarHBondContact O-CG 3.5Å; F110-V140 HydrophobicContact CD1-CG2 3.6Å; F110-V140 HydrophobicContact CE1-CG2 3.91Å; F110-V140 HydrophobicContact CG-CG2 4.48Å; F110-V143 HydrophobicContact CE1-CG2 4.38Å; F110-V143 HydrophobicContact CZ-CG2 4.21Å
111	N	98.3	Very high	96.3	Very high	59 Å²	59	55.3 Å²	55.3	32%	0.316	29%	0.288	S	S	.	.			trans	-135.4	137.6	173.7	-177.5	-78.2	0	0	0	108.7	H113 R114 E139	N111-H113 PolarHBondContact O-N 2.73Å; N111-H113 VanDerWaalsContact O-N 3.1Å; N111-H113 WeakPolarHBondContact OD1-CB 3.32Å; N111-H113 PolarHBondContact OD1-N 3.35Å; N111-H113 PolarHBondContact OD1-ND1 2.81Å; N111-R114 HydrophobicContact CB-CG 4.31Å; N111-R114 VanDerWaalsContact O-CB 3.24Å; N111-R114 WeakPolarHBondContact O-CB 3.27Å; N111-R114 VanDerWaalsContact O-CG 3.25Å; N111-R114 WeakPolarHBondContact O-CG 3.3Å; N111-R114 PolarHBondContact O-N 2.73Å; N111-E139 WeakPolarHBondContact CA-OE2 3.46Å; N111-E139 PolarHBondContact ND2-OE2 2.93Å
112	A	98.1	Very high	96	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-57	-31.3	-173.8	0	0	0	0	0	113.4	R114 V115 Y118 E139 K142 V143	A112-R114 PolarHBondContact O-N 3.44Å; A112-V115 WeakPolarHBondContact O-CB 3.42Å; A112-V115 PolarHBondContact O-N 2.72Å; A112-Y118 HydrophobicContact CB-CD1 4.05Å; A112-Y118 HydrophobicContact CB-CD2 4.43Å; A112-Y118 HydrophobicContact CB-CE1 3.56Å; A112-Y118 HydrophobicContact CB-CE2 4Å; A112-Y118 HydrophobicContact CB-CG 4.45Å; A112-E139 PolarHBondContact N-OE2 2.81Å; A112-K142 HydrophobicContact CB-CB 4.13Å; A112-K142 HydrophobicContact CB-CD 4.48Å; A112-V143 HydrophobicContact CB-CG2 3.68Å
113	H	96.8	Very high	95.9	Very high	135 Å²	135	63.7 Å²	63.7	63%	0.625	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-67.4	-7.2	177	-59.6	87.6	0	0	0	113.9	N111	N111-H113 PolarHBondContact O-N 2.73Å; N111-H113 VanDerWaalsContact O-N 3.1Å; N111-H113 WeakPolarHBondContact OD1-CB 3.32Å; N111-H113 PolarHBondContact OD1-N 3.35Å; N111-H113 PolarHBondContact OD1-ND1 2.81Å
114	R	97.4	Very high	95.6	Very high	114 Å²	114	62 Å²	62	43%	0.43	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-77.1	-13.5	171.6	-57.3	-59.7	-173.8	-175.9	-0.5	112.6	L100 F110 N111 A112	L100-R114 PolarHBondContact N-O 3.46Å; F110-R114 HydrophobicContact CE2-CB 4.13Å; N111-R114 HydrophobicContact CB-CG 4.31Å; N111-R114 VanDerWaalsContact O-CB 3.24Å; N111-R114 WeakPolarHBondContact O-CB 3.27Å; N111-R114 VanDerWaalsContact O-CG 3.25Å; N111-R114 WeakPolarHBondContact O-CG 3.3Å; N111-R114 PolarHBondContact O-N 2.73Å; A112-R114 PolarHBondContact O-N 3.44Å
115	V	98.1	Very high	95.5	Very high	4 Å²	4	67.1 Å²	67.1	2%	0.024	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-82.7	123.6	174.7	177.1	0	0	0	0	109.6	A97 L98 L104 F110 A112 G117 Y118 F126 M129 V143	A97-V115 HydrophobicContact CB-CG1 3.94Å; A97-V115 HydrophobicContact CB-CG2 4.2Å; L98-V115 CarbonylContact O-C 3.4Å; L98-V115 WeakPolarHBondContact O-CA 3.45Å; L104-V115 HydrophobicContact CD2-CG2 3.77Å; F110-V115 HydrophobicContact CE2-CG2 4.11Å; F110-V115 HydrophobicContact CZ-CG2 3.84Å; A112-V115 WeakPolarHBondContact O-CB 3.42Å; A112-V115 PolarHBondContact O-N 2.72Å; V115-G117 PolarHBondContact O-N 3Å; V115-Y118 VanDerWaalsContact O-CB 3.3Å; V115-Y118 WeakPolarHBondContact O-CB 3.41Å; V115-Y118 PolarHBondContact O-N 2.87Å; V115-F126 HydrophobicContact CG1-CE1 4.09Å; V115-F126 HydrophobicContact CG1-CE2 4.1Å; V115-F126 HydrophobicContact CG1-CZ 3.75Å; V115-M129 HydrophobicContact CG2-CE 4.2Å; V115-V143 HydrophobicContact CG1-CG1 4.42Å; V115-V143 HydrophobicContact CG2-CG1 4.12Å; V115-V143 HydrophobicContact CG2-CG2 4.11Å
116	K	96.2	Very high	95.6	Very high	25 Å²	25	66.4 Å²	66.4	11%	0.109	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	130.6	177.4	-176.2	173.5	173.2	-177.4	0	109.8	L98 L100 Y118 D401 F405	L98-K116 PolarHBondContact O-N 3.28Å; L100-K116 HydrophobicContact CD2-CB 3.89Å; L100-K116 HydrophobicContact CD2-CG 3.97Å; L100-K116 HydrophobicContact CG-CB 4.5Å; K116-Y118 VanDerWaalsContact C-N 3.26Å; K116-Y118 PolarHBondContact O-N 3.4Å; K116-D401 WeakPolarHBondContact CD-OD1 3.25Å; K116-D401 WeakPolarHBondContact CE-OD1 3.33Å; K116-D401 IonicContact NZ-OD1 3.59Å; K116-D401 PolarHBondContact NZ-OD1 2.97Å; K116-D401 IonicContact NZ-OD2 3.64Å; K116-D401 PolarHBondContact NZ-OD2 3.4Å; K116-F405 HydrophobicContact CB-CE2 4.16Å; K116-F405 HydrophobicContact CB-CZ 4.19Å; K116-F405 HydrophobicContact CD-CD2 3.75Å; K116-F405 HydrophobicContact CD-CE2 3.82Å; K116-F405 HydrophobicContact CD-CG 4.23Å; K116-F405 HydrophobicContact CD-CZ 4.37Å; K116-F405 HydrophobicContact CG-CD2 4.25Å; K116-F405 HydrophobicContact CG-CE1 4.36Å; K116-F405 HydrophobicContact CG-CE2 3.92Å; K116-F405 HydrophobicContact CG-CZ 3.97Å; K116-F405 WeakPolarHBondContact O-CZ 3.19Å
117	G	93.6	Very high	95.7	Very high	31 Å²	31	67.2 Å²	67.2	32%	0.32	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	2.7	-179	0	0	0	0	0	114.8	V115 R119 I124	V115-G117 PolarHBondContact O-N 3Å; G117-R119 PolarHBondContact O-N 2.95Å; G117-I124 WeakPolarHBondContact O-CD1 3.17Å
118	Y	96.3	Very high	95.8	Very high	34 Å²	34	65 Å²	65	13%	0.133	32%	0.32	C	S	.	.			trans	-61.3	131.6	172.6	177.7	-105.2	0	0	0	111.1	A112 V115 K116 G120 P121 V143	A112-Y118 HydrophobicContact CB-CD1 4.05Å; A112-Y118 HydrophobicContact CB-CD2 4.43Å; A112-Y118 HydrophobicContact CB-CE1 3.56Å; A112-Y118 HydrophobicContact CB-CE2 4Å; A112-Y118 HydrophobicContact CB-CG 4.45Å; V115-Y118 VanDerWaalsContact O-CB 3.3Å; V115-Y118 WeakPolarHBondContact O-CB 3.41Å; V115-Y118 PolarHBondContact O-N 2.87Å; K116-Y118 VanDerWaalsContact C-N 3.26Å; K116-Y118 PolarHBondContact O-N 3.4Å; Y118-G120 VanDerWaalsContact CE2-C 3.46Å; Y118-G120 WeakPolarHBondContact CE2-O 3.48Å; Y118-G120 VanDerWaalsContact CZ-C 3.47Å; Y118-G120 WeakPolarHBondContact OH-CA 3.27Å; Y118-P121 VanDerWaalsContact OH-CD 3.3Å; Y118-P121 WeakPolarHBondContact OH-CD 3.43Å; Y118-V143 HydrophobicContact CD2-CG2 4.11Å; Y118-V143 HydrophobicContact CE2-CG2 4.11Å
119	R	95.1	Very high	95.9	Very high	206 Å²	206	60 Å²	60	78%	0.777	29%	0.293	S	S	*	.			trans	-127.6	18.8	-176.2	-68.8	179.6	-177.8	-175	-0.7	113.1	G117 A123	G117-R119 PolarHBondContact O-N 2.95Å; R119-A123 HydrophobicContact CB-CB 3.86Å
120	G	94.9	Very high	95.9	Very high	21 Å²	21	57 Å²	57	22%	0.216	27%	0.274	C	S	.	.	S	Bend	trans	108.2	168.4	-173.6	0	0	0	0	0	113	Y118 R122 A123	Y118-G120 VanDerWaalsContact CE2-C 3.46Å; Y118-G120 WeakPolarHBondContact CE2-O 3.48Å; Y118-G120 VanDerWaalsContact CZ-C 3.47Å; Y118-G120 WeakPolarHBondContact OH-CA 3.27Å; G120-R122 PolarHBondContact O-N 2.93Å; G120-A123 WeakPolarHBondContact O-CB 3.41Å; G120-A123 PolarHBondContact O-N 3.4Å
121	P	92.6	Very high	95.8	Very high	77 Å²	77	57.1 Å²	57.1	50%	0.5	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	134.3	-176.3	-21.8	33.5	0	0	0	111.7	Y118 A123 K142	Y118-P121 VanDerWaalsContact OH-CD 3.3Å; Y118-P121 WeakPolarHBondContact OH-CD 3.43Å; P121-A123 PolarHBondContact O-N 3.5Å; P121-K142 WeakPolarHBondContact CA-O 3.46Å; P121-K142 HydrophobicContact CG-CB 4.26Å; P121-K142 HydrophobicContact CG-CG 4.31Å
122	R	86.9	Confident	95.8	Very high	244 Å²	244	55.3 Å²	55.3	92%	0.921	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	6.4	178.8	-53.4	174.3	-70.4	-165.1	-1.4	115.2	G120 I124	G120-R122 PolarHBondContact O-N 2.93Å; R122-I124 VanDerWaalsContact C-N 3.3Å
123	A	91.4	Very high	95.8	Very high	58 Å²	58	55.3 Å²	55.3	48%	0.479	26%	0.264	S	S	.	.	S	Bend	trans	-71.2	-30.1	176.5	0	0	0	0	0	112.2	R119 G120 P121	R119-A123 HydrophobicContact CB-CB 3.86Å; G120-A123 WeakPolarHBondContact O-CB 3.41Å; G120-A123 PolarHBondContact O-N 3.4Å; P121-A123 PolarHBondContact O-N 3.5Å
124	I	91.4	Very high	95.9	Very high	37 Å²	37	50.8 Å²	50.8	19%	0.19	24%	0.242	C	C	.	.	S	Bend	trans	-141.2	132.8	176.3	-66.5	-177.7	0	0	0	108	G117 R122 F126	G117-I124 WeakPolarHBondContact O-CD1 3.17Å; R122-I124 VanDerWaalsContact C-N 3.3Å; I124-F126 HydrophobicContact CB-CE2 4.03Å; I124-F126 HydrophobicContact CB-CZ 4.28Å; I124-F126 HydrophobicContact CG2-CD1 4.47Å; I124-F126 HydrophobicContact CG2-CD2 4.2Å; I124-F126 HydrophobicContact CG2-CE1 4.1Å; I124-F126 HydrophobicContact CG2-CE2 3.79Å; I124-F126 HydrophobicContact CG2-CZ 3.75Å
125	E	95.2	Very high	96	Very high	107 Å²	107	45.8 Å²	45.8	50%	0.5	22%	0.223	S	C	.	.			trans	-81.5	122.9	171.8	-174.2	168.4	-148.7	0	0	110.9	H67 R95 P145	H67-E125 IonicContact CE1-OE1 2.77Å; H67-E125 PolarHBondContact CE1-OE1 3.44Å; H67-E125 IonicContact NE2-OE1 2.8Å; H67-E125 PolarHBondContact NE2-OE1 2.9Å; R95-E125 WeakPolarHBondContact CD-O 3.46Å; E125-P145 HydrophobicContact CG-CG 4.27Å
126	F	97.9	Very high	96	Very high	3 Å²	3	48 Å²	48	1%	0.013	24%	0.235	C	C	.	.			trans	-110.7	140.4	171.4	-65	-78.7	0	0	0	109.2	R95 F96 A97 V115 I124 V143 M144 P145	R95-F126 HydrophobicContact CG-CD1 3.95Å; R95-F126 HydrophobicContact CG-CE1 4.27Å; F96-F126 WeakPolarHBondContact O-CD1 3.43Å; A97-F126 HydrophobicContact CB-CB 4.08Å; A97-F126 HydrophobicContact CB-CD1 4.08Å; A97-F126 HydrophobicContact CB-CG 4.04Å; V115-F126 HydrophobicContact CG1-CE1 4.09Å; V115-F126 HydrophobicContact CG1-CE2 4.1Å; V115-F126 HydrophobicContact CG1-CZ 3.75Å; I124-F126 HydrophobicContact CB-CE2 4.03Å; I124-F126 HydrophobicContact CB-CZ 4.28Å; I124-F126 HydrophobicContact CG2-CD1 4.47Å; I124-F126 HydrophobicContact CG2-CD2 4.2Å; I124-F126 HydrophobicContact CG2-CE1 4.1Å; I124-F126 HydrophobicContact CG2-CE2 3.79Å; I124-F126 HydrophobicContact CG2-CZ 3.75Å; F126-V143 HydrophobicContact CB-CG1 4.37Å; F126-V143 HydrophobicContact CD2-CG1 3.62Å; F126-V143 HydrophobicContact CE2-CG1 4.19Å; F126-V143 HydrophobicContact CG-CG1 4.18Å; F126-M144 HydrophobicContact CB-SD 4.23Å; F126-P145 VanDerWaalsContact O-CD 3.24Å; F126-P145 WeakPolarHBondContact O-CD 3.13Å
127	H	98.6	Very high	96.1	Very high	37 Å²	37	50.6 Å²	50.6	17%	0.171	25%	0.246	C	C	.	.			trans	-101.1	-45.2	-175.7	-57.5	82.6	0	0	0	111.6	T66 H67 I68 L94 R95 M144	T66-H127 CarbonylContact O-C 3.54Å; T66-H127 WeakPolarHBondContact O-CB 3.44Å; H67-H127 CarbonylContact C-O 3.57Å; H67-H127 VanDerWaalsContact CA-O 3.27Å; H67-H127 WeakPolarHBondContact CA-O 3.47Å; H67-H127 AromaticContact CD2-CD2 3.72Å; H67-H127 AromaticContact NE2-CD2 3.61Å; I68-H127 PolarHBondContact N-O 3.27Å; L94-H127 HydrophobicContact CB-CB 3.89Å; L94-H127 HydrophobicContact CD1-CB 4.26Å; L94-H127 HydrophobicContact CD2-CB 4.42Å; L94-H127 HydrophobicContact CG-CB 4.42Å; R95-H127 WeakPolarHBondContact CB-ND1 3.33Å; R95-H127 PolarHBondContact N-ND1 3.37Å; R95-H127 WeakPolarHBondContact O-CA 3.31Å; R95-H127 WeakPolarHBondContact O-CB 3.32Å; R95-H127 PolarHBondContact O-N 3.03Å; H127-M144 WeakPolarHBondContact O-CE 3.41Å
128	I	98.8	Very high	96.3	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	128.7	-175.9	-59.9	-178.3	0	0	0	110.7	I68 L85 L94 R95 F96 A97	I68-I128 HydrophobicContact CB-CG1 4.4Å; I68-I128 WeakPolarHBondContact O-CA 3.33Å; L85-I128 HydrophobicContact CB-CG2 4.12Å; L85-I128 HydrophobicContact CD1-CG2 4.47Å; L85-I128 WeakPolarHBondContact O-CD1 3.44Å; L94-I128 HydrophobicContact CD1-CD1 3.96Å; L94-I128 HydrophobicContact CD1-CG1 4.31Å; R95-I128 PolarHBondContact O-N 3.47Å; F96-I128 CarbonylContact C-O 3.55Å; F96-I128 WeakPolarHBondContact CA-O 3.42Å; F96-I128 HydrophobicContact CD1-CB 3.67Å; F96-I128 HydrophobicContact CD1-CG2 3.86Å; F96-I128 HydrophobicContact CE1-CB 3.8Å; F96-I128 HydrophobicContact CE1-CD1 3.93Å; F96-I128 HydrophobicContact CE1-CG1 4.38Å; F96-I128 HydrophobicContact CE1-CG2 3.89Å; F96-I128 HydrophobicContact CZ-CD1 4.44Å; A97-I128 PolarHBondContact N-O 3.13Å
129	M	98.7	Very high	96.4	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	119.4	171.6	-174.5	-179.9	-159.8	0	0	109.6	I68 M69 F70 A97 L104 F110 V115 M133 V140 M144	I68-M129 PolarHBondContact O-N 2.92Å; M69-M129 WeakPolarHBondContact CA-O 3.4Å; F70-M129 PolarHBondContact N-O 3.38Å; A97-M129 HydrophobicContact CB-CB 3.89Å; A97-M129 HydrophobicContact CB-CG 3.94Å; A97-M129 HydrophobicContact CB-SD 4.46Å; L104-M129 HydrophobicContact CD1-CE 3.71Å; L104-M129 HydrophobicContact CD1-CG 4.16Å; F110-M129 HydrophobicContact CD1-CE 4.22Å; F110-M129 HydrophobicContact CD2-CE 4.16Å; F110-M129 HydrophobicContact CE1-CE 3.56Å; F110-M129 HydrophobicContact CE2-CE 3.49Å; F110-M129 VanDerWaalsContact CE2-CE 3.49Å; F110-M129 HydrophobicContact CG-CE 4.49Å; F110-M129 HydrophobicContact CZ-CE 3.16Å; V115-M129 HydrophobicContact CG2-CE 4.2Å; M129-M133 HydrophobicContact CE-CE 3.57Å; M129-M133 HydrophobicContact CE-SD 4.24Å; M129-M133 HydrophobicContact CG-CE 3.81Å; M129-M133 HydrophobicContact SD-CE 3.91Å; M129-V140 HydrophobicContact CE-CG2 4.38Å; M129-V140 HydrophobicContact SD-CG1 3.96Å; M129-V140 HydrophobicContact SD-CG2 4.37Å; M129-M144 HydrophobicContact CB-CE 4.18Å; M129-M144 HydrophobicContact CB-CG 4.22Å; M129-M144 HydrophobicContact CB-SD 3.54Å; M129-M144 VanDerWaalsContact CB-SD 3.54Å; M129-M144 HydrophobicContact CG-SD 4.49Å; M129-M144 HydrophobicContact SD-CG 3.9Å; M129-M144 HydrophobicContact SD-SD 4.2Å
130	G	98	Very high	96.6	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.01	22%	0.223	C	C	.	.			trans	-153.3	0.1	-175.5	0	0	0	0	0	116.4	F70 K72	F70-G130 WeakPolarHBondContact O-CA 3.45Å; K72-G130 VanDerWaalsContact CB-O 3.25Å; K72-G130 WeakPolarHBondContact CB-O 3.36Å
131	N	98.3	Very high	96.7	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.021	23%	0.232	C	C	.	.	S	Bend	trans	-69.3	154.7	175.9	-66.8	85.1	0	0	0	111.3	Y86 P99 L104 M133	Y86-N131 VanDerWaalsContact OH-CG 3.29Å; Y86-N131 PolarHBondContact OH-ND2 2.62Å; Y86-N131 PolarHBondContact OH-OD1 3.34Å; P99-N131 VanDerWaalsContact CD-CG 3.46Å; P99-N131 HydrophobicContact CG-CB 4.13Å; L104-N131 HydrophobicContact CD1-CB 3.86Å; L104-N131 HydrophobicContact CG-CB 4.06Å; N131-M133 PolarHBondContact O-N 2.62Å
132	H	97.5	Very high	97	Very high	21 Å²	21	48.1 Å²	48.1	10%	0.097	23%	0.226	C	C	.	.			trans	-52.9	129.6	179.1	-84.9	-54.6	0	0	0	112.5	K72 H74 Q103 L104	K72-H132 WeakPolarHBondContact CE-NE2 3.36Å; K72-H132 PolarHBondContact NZ-CD2 3.37Å; K72-H132 PolarHBondContact NZ-NE2 2.84Å; K72-H132 PolarHBondContact O-ND1 3.23Å; H74-H132 AromaticContact CD2-CE1 3.36Å; H74-H132 PolarHBondContact CD2-CE1 3.4Å; H74-H132 AromaticContact CD2-ND1 3.87Å; H74-H132 AromaticContact CD2-NE2 3.67Å; H74-H132 AromaticContact CE1-CE1 3.76Å; H74-H132 AromaticContact CE1-ND1 3.49Å; H74-H132 PolarHBondContact CE1-ND1 3.44Å; H74-H132 AromaticContact CG-CE1 3.76Å; H74-H132 AromaticContact ND1-CE1 3.97Å; H74-H132 AromaticContact ND1-ND1 3.96Å; H74-H132 AromaticContact NE2-CD2 3.85Å; H74-H132 AromaticContact NE2-CE1 3.39Å; H74-H132 PolarHBondContact NE2-CE1 3.29Å; H74-H132 AromaticContact NE2-CG 3.72Å; H74-H132 AromaticContact NE2-ND1 3.43Å; H74-H132 PolarHBondContact NE2-ND1 3.15Å; H74-H132 AromaticContact NE2-NE2 3.68Å; Q103-H132 HydrophobicContact CB-CB 4.33Å; Q103-H132 HydrophobicContact CG-CB 3.97Å; L104-H132 PolarHBondContact N-O 3.1Å
133	M	98.2	Very high	97.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.184	C	C	.	.			trans	-147.9	162.9	176.3	76	-178.6	77.3	0	0	109	M69 L71 L104 F110 M129 N131 F135 V140	M69-M133 HydrophobicContact CE-CE 3.85Å; M69-M133 HydrophobicContact CE-SD 3.75Å; L71-M133 HydrophobicContact CD1-CG 3.85Å; L71-M133 HydrophobicContact CD1-SD 4.47Å; L104-M133 HydrophobicContact CB-CB 3.93Å; L104-M133 HydrophobicContact CD1-CE 3.67Å; F110-M133 HydrophobicContact CB-CB 4.22Å; F110-M133 HydrophobicContact CB-CG 4.46Å; F110-M133 HydrophobicContact CB-SD 4.15Å; F110-M133 HydrophobicContact CD1-SD 4.48Å; F110-M133 HydrophobicContact CD2-CB 4.27Å; F110-M133 HydrophobicContact CD2-SD 4.35Å; F110-M133 HydrophobicContact CG-SD 4.04Å; M129-M133 HydrophobicContact CE-CE 3.57Å; M129-M133 HydrophobicContact CE-SD 4.24Å; M129-M133 HydrophobicContact CG-CE 3.81Å; M129-M133 HydrophobicContact SD-CE 3.91Å; N131-M133 PolarHBondContact O-N 2.62Å; M133-F135 HydrophobicContact SD-CD2 4.45Å; M133-V140 HydrophobicContact SD-CG2 4.05Å
134	R	98.7	Very high	97.8	Very high	41 Å²	41	34.5 Å²	34.5	16%	0.155	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-94.5	118.5	159.9	177.2	170.8	-172.8	-158.5	-0.6	107.1	Y106 P107 L108 F110 N136 F208 L212	Y106-R134 HydrophobicContact CD2-CB 4.19Å; Y106-R134 HydrophobicContact CE2-CB 4.45Å; P107-R134 VanDerWaalsContact O-CD 3.25Å; P107-R134 WeakPolarHBondContact O-CD 3.37Å; L108-R134 WeakPolarHBondContact O-CB 3.35Å; F110-R134 WeakPolarHBondContact CB-O 3.37Å; F110-R134 PolarHBondContact N-O 3.44Å; R134-N136 PolarHBondContact O-N 3.33Å; R134-F208 WeakPolarHBondContact CG-O 3.46Å; R134-F208 VanDerWaalsContact CZ-CE2 3.49Å; R134-L212 PolarHBondContact NH2-O 3.04Å
135	F	98.8	Very high	98.1	Very high	9 Å²	9	34.1 Å²	34.1	4%	0.039	16%	0.163	C	C	.	.			trans	-59	139.1	-166.2	-173.1	-118.6	0	0	0	112.9	M69 L71 M133 K137 V140 Y150 D209 G211 M229 T233 F234	M69-F135 HydrophobicContact CE-CD2 3.48Å; M69-F135 VanDerWaalsContact CE-CD2 3.48Å; M69-F135 HydrophobicContact CE-CE2 3.45Å; M69-F135 VanDerWaalsContact CE-CE2 3.45Å; M69-F135 HydrophobicContact SD-CE2 4.28Å; L71-F135 HydrophobicContact CD1-CB 3.84Å; L71-F135 HydrophobicContact CD1-CD2 4.24Å; L71-F135 HydrophobicContact CD1-CG 4.38Å; L71-F135 HydrophobicContact CD2-CB 3.83Å; L71-F135 HydrophobicContact CD2-CD2 4.42Å; L71-F135 HydrophobicContact CD2-CG 4.1Å; L71-F135 HydrophobicContact CG-CB 4.49Å; M133-F135 HydrophobicContact SD-CD2 4.45Å; F135-K137 HydrophobicContact CE1-CB 3.79Å; F135-K137 HydrophobicContact CE1-CG 4.45Å; F135-K137 HydrophobicContact CZ-CB 3.73Å; F135-K137 HydrophobicContact CZ-CG 4.07Å; F135-V140 HydrophobicContact CD2-CG2 4.26Å; F135-V140 HydrophobicContact CE2-CG2 3.99Å; F135-Y150 HydrophobicContact CE2-CE1 4.34Å; F135-Y150 HydrophobicContact CZ-CE1 4.45Å; F135-D209 WeakPolarHBondContact CB-O 2.94Å; F135-D209 PolarHBondContact N-O 3.25Å; F135-G211 VanDerWaalsContact O-CA 3.26Å; F135-G211 WeakPolarHBondContact O-CA 3.49Å; F135-M229 HydrophobicContact CE1-SD 4.38Å; F135-T233 HydrophobicContact CE1-CG2 3.88Å; F135-T233 HydrophobicContact CZ-CG2 3.61Å; F135-F234 HydrophobicContact CD1-CE2 4.3Å; F135-F234 HydrophobicContact CD1-CZ 4.1Å; F135-F234 HydrophobicContact CD2-CZ 4.2Å; F135-F234 AromaticContact CE1-CE2 3.98Å; F135-F234 HydrophobicContact CE1-CE2 3.98Å; F135-F234 AromaticContact CE1-CZ 3.87Å; F135-F234 HydrophobicContact CE1-CZ 3.87Å; F135-F234 AromaticContact CE2-CZ 3.98Å; F135-F234 HydrophobicContact CE2-CZ 3.98Å; F135-F234 HydrophobicContact CG-CZ 4.26Å; F135-F234 HydrophobicContact CZ-CE2 4.27Å; F135-F234 AromaticContact CZ-CZ 3.82Å; F135-F234 HydrophobicContact CZ-CZ 3.82Å
136	N	98.7	Very high	98.2	Very high	50 Å²	50	34.5 Å²	34.5	27%	0.267	18%	0.184	S	C	.	.			trans	-148.3	98	171.5	-179.3	-5.6	0	0	0	108.1	F110 R134 L138 E139 V140	F110-N136 HydrophobicContact CB-CB 4.1Å; F110-N136 WeakPolarHBondContact O-CB 3.33Å; F110-N136 PolarHBondContact O-ND2 3.42Å; F110-N136 VanDerWaalsContact O-ND2 3.09Å; R134-N136 PolarHBondContact O-N 3.33Å; N136-L138 VanDerWaalsContact C-N 3.33Å; N136-L138 PolarHBondContact O-N 3.5Å; N136-E139 HydrophobicContact CB-CB 4.25Å; N136-E139 HydrophobicContact CB-CG 4.48Å; N136-E139 WeakPolarHBondContact ND2-CG 3.29Å; N136-E139 PolarHBondContact O-N 2.8Å; N136-E139 VanDerWaalsContact O-N 3.11Å; N136-V140 WeakPolarHBondContact O-CG2 3.41Å; N136-V140 PolarHBondContact O-N 2.76Å
137	K	97.9	Very high	98.1	Very high	80 Å²	80	38.8 Å²	38.8	35%	0.348	21%	0.208	S	C	.	.	H	α-helix	trans	-53.6	-47.9	-171.6	-169.5	-176.9	-174.4	-114.2	0	112.7	F135 E139 V140 E141 T233	F135-K137 HydrophobicContact CE1-CB 3.79Å; F135-K137 HydrophobicContact CE1-CG 4.45Å; F135-K137 HydrophobicContact CZ-CB 3.73Å; F135-K137 HydrophobicContact CZ-CG 4.07Å; K137-E139 PolarHBondContact O-N 3.5Å; K137-V140 PolarHBondContact O-N 3.44Å; K137-V140 VanDerWaalsContact O-N 3.08Å; K137-E141 WeakPolarHBondContact CE-OE1 3.02Å; K137-E141 HydrophobicContact CG-CG 4.38Å; K137-E141 IonicContact NZ-OE1 3.75Å; K137-E141 PolarHBondContact NZ-OE1 3.2Å; K137-E141 WeakPolarHBondContact O-CG 3.13Å; K137-E141 PolarHBondContact O-N 3.07Å; K137-T233 HydrophobicContact CD-CG2 4.06Å; K137-T233 HydrophobicContact CG-CG2 4.31Å
138	L	98.1	Very high	98.1	Very high	120 Å²	120	37.1 Å²	37.1	63%	0.628	20%	0.2	S	C	*	.	H	α-helix	trans	-62.5	-31.1	-176.8	-63.1	177.9	0	0	0	112.7	N136 K142	N136-L138 VanDerWaalsContact C-N 3.33Å; N136-L138 PolarHBondContact O-N 3.5Å; L138-K142 WeakPolarHBondContact O-CG 3.39Å
139	E	98.6	Very high	98.1	Very high	23 Å²	23	37.7 Å²	37.7	11%	0.107	20%	0.202	C	C	.	.	H	α-helix	trans	-81.6	-32.7	176.1	-70.9	-68.6	129.4	0	0	111.9	F110 N111 A112 N136 K137 K142	F110-E139 HydrophobicContact CD1-CB 3.64Å; F110-E139 HydrophobicContact CE1-CB 3.92Å; F110-E139 WeakPolarHBondContact O-CB 3.37Å; F110-E139 WeakPolarHBondContact O-CG 3.5Å; N111-E139 WeakPolarHBondContact CA-OE2 3.46Å; N111-E139 PolarHBondContact ND2-OE2 2.93Å; A112-E139 PolarHBondContact N-OE2 2.81Å; N136-E139 HydrophobicContact CB-CB 4.25Å; N136-E139 HydrophobicContact CB-CG 4.48Å; N136-E139 WeakPolarHBondContact ND2-CG 3.29Å; N136-E139 PolarHBondContact O-N 2.8Å; N136-E139 VanDerWaalsContact O-N 3.11Å; K137-E139 PolarHBondContact O-N 3.5Å; E139-K142 WeakPolarHBondContact O-CB 3.13Å; E139-K142 PolarHBondContact O-N 2.81Å; E139-K142 WeakPolarHBondContact OE1-CE 3.16Å; E139-K142 IonicContact OE1-NZ 2.67Å; E139-K142 PolarHBondContact OE1-NZ 3.38Å
140	V	98.5	Very high	98.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-67	-40.9	174.7	176	0	0	0	0	111.2	M69 F110 M129 M133 F135 N136 K137 K142 V143 M144 Y150	M69-V140 HydrophobicContact CE-CG2 4.3Å; M69-V140 HydrophobicContact CG-CG1 3.88Å; F110-V140 HydrophobicContact CD1-CG2 3.6Å; F110-V140 HydrophobicContact CE1-CG2 3.91Å; F110-V140 HydrophobicContact CG-CG2 4.48Å; M129-V140 HydrophobicContact CE-CG2 4.38Å; M129-V140 HydrophobicContact SD-CG1 3.96Å; M129-V140 HydrophobicContact SD-CG2 4.37Å; M133-V140 HydrophobicContact SD-CG2 4.05Å; F135-V140 HydrophobicContact CD2-CG2 4.26Å; F135-V140 HydrophobicContact CE2-CG2 3.99Å; N136-V140 WeakPolarHBondContact O-CG2 3.41Å; N136-V140 PolarHBondContact O-N 2.76Å; K137-V140 PolarHBondContact O-N 3.44Å; K137-V140 VanDerWaalsContact O-N 3.08Å; V140-K142 PolarHBondContact O-N 3Å; V140-K142 VanDerWaalsContact O-N 3.15Å; V140-V143 PolarHBondContact O-N 3.33Å; V140-M144 HydrophobicContact CG1-CB 4.32Å; V140-M144 HydrophobicContact CG1-CG 3.85Å; V140-M144 PolarHBondContact O-N 2.88Å; V140-Y150 HydrophobicContact CG1-CE1 3.75Å; V140-Y150 WeakPolarHBondContact CG1-OH 3.24Å
141	E	97.9	Very high	98.1	Very high	90 Å²	90	38.6 Å²	38.6	42%	0.421	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-16.4	177.1	-72.9	173	161.8	0	0	113.3	K137 V143	K137-E141 WeakPolarHBondContact CE-OE1 3.02Å; K137-E141 HydrophobicContact CG-CG 4.38Å; K137-E141 IonicContact NZ-OE1 3.75Å; K137-E141 PolarHBondContact NZ-OE1 3.2Å; K137-E141 WeakPolarHBondContact O-CG 3.13Å; K137-E141 PolarHBondContact O-N 3.07Å; E141-V143 VanDerWaalsContact C-N 3.35Å
142	K	98.3	Very high	98.1	Very high	83 Å²	83	38.4 Å²	38.4	36%	0.361	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-24	170.7	-65.5	173.2	-173.4	-177.6	0	112.7	A112 P121 L138 E139 V140	A112-K142 HydrophobicContact CB-CB 4.13Å; A112-K142 HydrophobicContact CB-CD 4.48Å; P121-K142 WeakPolarHBondContact CA-O 3.46Å; P121-K142 HydrophobicContact CG-CB 4.26Å; P121-K142 HydrophobicContact CG-CG 4.31Å; L138-K142 WeakPolarHBondContact O-CG 3.39Å; E139-K142 WeakPolarHBondContact O-CB 3.13Å; E139-K142 PolarHBondContact O-N 2.81Å; E139-K142 WeakPolarHBondContact OE1-CE 3.16Å; E139-K142 IonicContact OE1-NZ 2.67Å; E139-K142 PolarHBondContact OE1-NZ 3.38Å; V140-K142 PolarHBondContact O-N 3Å; V140-K142 VanDerWaalsContact O-N 3.15Å
143	V	98.4	Very high	98.2	Very high	7 Å²	7	37.4 Å²	37.4	4%	0.042	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-45.5	-175.6	-179.9	0	0	0	0	111	A97 F110 A112 V115 Y118 F126 V140 E141	A97-V143 HydrophobicContact CB-CG1 3.84Å; F110-V143 HydrophobicContact CE1-CG2 4.38Å; F110-V143 HydrophobicContact CZ-CG2 4.21Å; A112-V143 HydrophobicContact CB-CG2 3.68Å; V115-V143 HydrophobicContact CG1-CG1 4.42Å; V115-V143 HydrophobicContact CG2-CG1 4.12Å; V115-V143 HydrophobicContact CG2-CG2 4.11Å; Y118-V143 HydrophobicContact CD2-CG2 4.11Å; Y118-V143 HydrophobicContact CE2-CG2 4.11Å; F126-V143 HydrophobicContact CB-CG1 4.37Å; F126-V143 HydrophobicContact CD2-CG1 3.62Å; F126-V143 HydrophobicContact CE2-CG1 4.19Å; F126-V143 HydrophobicContact CG-CG1 4.18Å; V140-V143 PolarHBondContact O-N 3.33Å; E141-V143 VanDerWaalsContact C-N 3.35Å
144	M	98.2	Very high	98.2	Very high	9 Å²	9	37.4 Å²	37.4	4%	0.044	20%	0.2	C	C	.	.	S	Bend	trans	-95.4	140.1	-170.5	-62.8	-57.2	-64.3	0	0	111.5	I68 A97 F126 H127 M129 V140 T148	I68-M144 VanDerWaalsContact O-CE 3.31Å; I68-M144 WeakPolarHBondContact O-CE 3.48Å; A97-M144 HydrophobicContact CB-SD 4.49Å; F126-M144 HydrophobicContact CB-SD 4.23Å; H127-M144 WeakPolarHBondContact O-CE 3.41Å; M129-M144 HydrophobicContact CB-CE 4.18Å; M129-M144 HydrophobicContact CB-CG 4.22Å; M129-M144 HydrophobicContact CB-SD 3.54Å; M129-M144 VanDerWaalsContact CB-SD 3.54Å; M129-M144 HydrophobicContact CG-SD 4.49Å; M129-M144 HydrophobicContact SD-CG 3.9Å; M129-M144 HydrophobicContact SD-SD 4.2Å; V140-M144 HydrophobicContact CG1-CB 4.32Å; V140-M144 HydrophobicContact CG1-CG 3.85Å; V140-M144 PolarHBondContact O-N 2.88Å; M144-T148 HydrophobicContact CB-CG2 4.23Å; M144-T148 HydrophobicContact CE-CG2 3.93Å
145	P	97.1	Very high	98.2	Very high	30 Å²	30	38.1 Å²	38.1	20%	0.195	20%	0.203	C	C	.	.			trans	-56.7	156.9	174.4	-28.5	37.8	0	0	0	114.2	E125 F126 D147 T148	E125-P145 HydrophobicContact CG-CG 4.27Å; F126-P145 VanDerWaalsContact O-CD 3.24Å; F126-P145 WeakPolarHBondContact O-CD 3.13Å; P145-D147 VanDerWaalsContact C-N 3.28Å; P145-D147 VanDerWaalsContact CB-OD1 3.25Å; P145-D147 WeakPolarHBondContact CB-OD1 3.44Å; P145-D147 PolarHBondContact O-N 3Å; P145-T148 WeakPolarHBondContact O-CB 3.37Å; P145-T148 PolarHBondContact O-N 2.93Å; P145-T148 VanDerWaalsContact O-N 3.15Å; P145-T148 PolarHBondContact O-OG1 3.3Å
146	A	95.9	Very high	98.2	Very high	114 Å²	114	38.8 Å²	38.8	94%	0.942	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-26.5	-175	0	0	0	0	0	114.2	T148	A146-T148 PolarHBondContact O-N 3.48Å
147	D	96.2	Very high	98.2	Very high	93 Å²	93	36.5 Å²	36.5	50%	0.497	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	3.2	178.2	67.1	-41.3	0	0	0	113.5	H67 P145 F149	H67-D147 IonicContact CE1-OD1 2.64Å; H67-D147 IonicContact CE1-OD2 2.91Å; H67-D147 IonicContact CG-OD1 3.71Å; H67-D147 IonicContact CG-OD2 3.27Å; H67-D147 VanDerWaalsContact ND1-CG 3.27Å; H67-D147 IonicContact ND1-OD1 3.66Å; H67-D147 PolarHBondContact ND1-OD1 3.06Å; H67-D147 IonicContact ND1-OD2 2.78Å; H67-D147 PolarHBondContact ND1-OD2 3.19Å; P145-D147 VanDerWaalsContact C-N 3.28Å; P145-D147 VanDerWaalsContact CB-OD1 3.25Å; P145-D147 WeakPolarHBondContact CB-OD1 3.44Å; P145-D147 PolarHBondContact O-N 3Å; D147-F149 PolarHBondContact O-N 3.46Å
148	T	98.5	Very high	98.2	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.018	18%	0.179	C	C	.	.			trans	-52.9	132.7	-177.7	-66	0	0	0	0	112.5	H67 M69 M144 P145 A146 Y150	H67-T148 CarbonylContact O-C 3.54Å; H67-T148 WeakPolarHBondContact O-CA 3.21Å; M69-T148 HydrophobicContact CB-CG2 3.62Å; M69-T148 VanDerWaalsContact N-CG2 3.35Å; M144-T148 HydrophobicContact CB-CG2 4.23Å; M144-T148 HydrophobicContact CE-CG2 3.93Å; P145-T148 WeakPolarHBondContact O-CB 3.37Å; P145-T148 PolarHBondContact O-N 2.93Å; P145-T148 VanDerWaalsContact O-N 3.15Å; P145-T148 PolarHBondContact O-OG1 3.3Å; A146-T148 PolarHBondContact O-N 3.48Å; T148-Y150 HydrophobicContact CG2-CD2 3.88Å; T148-Y150 HydrophobicContact CG2-CE2 3.6Å; T148-Y150 WeakPolarHBondContact O-CD2 3.4Å; T148-Y150 PolarHBondContact O-N 3.37Å
149	F	98.6	Very high	98.1	Very high	13 Å²	13	28.1 Å²	28.1	6%	0.057	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	110.3	171.2	-170.6	-85.5	0	0	0	110	H67 M69 D147 F151 K235 L236 A253 L254	H67-F149 PolarHBondContact O-N 3.36Å; M69-F149 PolarHBondContact N-O 2.97Å; D147-F149 PolarHBondContact O-N 3.46Å; F149-F151 HydrophobicContact CD1-CB 4.28Å; F149-F151 HydrophobicContact CD1-CD1 4.05Å; F149-F151 HydrophobicContact CE1-CB 3.81Å; F149-F151 HydrophobicContact CE1-CD1 4.21Å; F149-F151 HydrophobicContact CE1-CG 4.28Å; F149-K235 HydrophobicContact CD2-CB 4.29Å; F149-K235 HydrophobicContact CD2-CD 3.46Å; F149-K235 VanDerWaalsContact CD2-CD 3.46Å; F149-K235 HydrophobicContact CD2-CG 4.49Å; F149-K235 HydrophobicContact CE1-CB 4.42Å; F149-K235 HydrophobicContact CE2-CB 3.68Å; F149-K235 HydrophobicContact CE2-CD 3.6Å; F149-K235 HydrophobicContact CE2-CG 4.28Å; F149-K235 HydrophobicContact CG-CD 4.19Å; F149-K235 HydrophobicContact CZ-CB 3.74Å; F149-K235 HydrophobicContact CZ-CD 4.44Å; F149-L236 HydrophobicContact CE1-CB 4.27Å; F149-L236 HydrophobicContact CZ-CB 4.07Å; F149-A253 HydrophobicContact CE1-CB 4.36Å; F149-A253 HydrophobicContact CE2-CB 4.1Å; F149-A253 HydrophobicContact CZ-CB 3.61Å; F149-L254 HydrophobicContact CB-CD2 4.17Å; F149-L254 HydrophobicContact CD1-CD2 3.5Å; F149-L254 VanDerWaalsContact CD1-CD2 3.5Å; F149-L254 HydrophobicContact CE1-CD2 3.98Å; F149-L254 HydrophobicContact CG-CD2 3.81Å
150	Y	98.9	Very high	98	Very high	20 Å²	20	27.2 Å²	27.2	8%	0.078	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	127	178.5	-74.6	-105.7	0	0	0	110.5	M69 F135 V140 T148 T233 F234 K235	M69-Y150 HydrophobicContact CB-CD1 3.69Å; M69-Y150 HydrophobicContact CB-CD2 4.49Å; M69-Y150 HydrophobicContact CB-CE1 3.73Å; M69-Y150 HydrophobicContact CB-CG 4.08Å; M69-Y150 HydrophobicContact CG-CD1 3.78Å; M69-Y150 HydrophobicContact CG-CE1 3.68Å; M69-Y150 WeakPolarHBondContact O-CA 3.38Å; M69-Y150 HydrophobicContact SD-CD1 3.6Å; M69-Y150 VanDerWaalsContact SD-CD1 3.6Å; M69-Y150 HydrophobicContact SD-CE1 3.98Å; F135-Y150 HydrophobicContact CE2-CE1 4.34Å; F135-Y150 HydrophobicContact CZ-CE1 4.45Å; V140-Y150 HydrophobicContact CG1-CE1 3.75Å; V140-Y150 WeakPolarHBondContact CG1-OH 3.24Å; T148-Y150 HydrophobicContact CG2-CD2 3.88Å; T148-Y150 HydrophobicContact CG2-CE2 3.6Å; T148-Y150 WeakPolarHBondContact O-CD2 3.4Å; T148-Y150 PolarHBondContact O-N 3.37Å; Y150-T233 WeakPolarHBondContact CB-O 3.29Å; Y150-T233 HydrophobicContact CD1-CG2 4.17Å; Y150-F234 HydrophobicContact CD1-CE1 4.48Å; Y150-F234 CarbonylContact O-C 3.28Å; Y150-F234 WeakPolarHBondContact O-CA 3.49Å; Y150-K235 PolarHBondContact O-N 3.43Å
151	F	98.9	Very high	98	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	164.6	171.8	78.4	-78.3	0	0	0	112.1	I68 M69 F70 L71 V81 L85 F149 L236 L238 L250	I68-F151 HydrophobicContact CG2-CD1 4.08Å; I68-F151 HydrophobicContact CG2-CE1 3.51Å; M69-F151 PolarHBondContact O-N 3.47Å; F70-F151 WeakPolarHBondContact CA-O 3.36Å; F70-F151 HydrophobicContact CB-CD1 4.31Å; F70-F151 HydrophobicContact CB-CE1 3.67Å; F70-F151 HydrophobicContact CB-CE2 4.42Å; F70-F151 HydrophobicContact CB-CZ 3.74Å; F70-F151 HydrophobicContact CD2-CD1 4.45Å; F70-F151 AromaticContact CD2-CD2 3.74Å; F70-F151 HydrophobicContact CD2-CD2 3.74Å; F70-F151 HydrophobicContact CD2-CE1 4.09Å; F70-F151 AromaticContact CD2-CE2 3.32Å; F70-F151 HydrophobicContact CD2-CE2 3.32Å; F70-F151 HydrophobicContact CD2-CG 4.3Å; F70-F151 AromaticContact CD2-CZ 3.53Å; F70-F151 HydrophobicContact CD2-CZ 3.53Å; F70-F151 HydrophobicContact CE2-CD2 4.22Å; F70-F151 AromaticContact CE2-CE2 3.77Å; F70-F151 HydrophobicContact CE2-CE2 3.77Å; F70-F151 HydrophobicContact CE2-CZ 4.32Å; F70-F151 HydrophobicContact CG-CE1 4.17Å; F70-F151 HydrophobicContact CG-CE2 4.02Å; F70-F151 AromaticContact CG-CZ 3.73Å; F70-F151 HydrophobicContact CG-CZ 3.73Å; L71-F151 PolarHBondContact N-O 3.05Å; V81-F151 HydrophobicContact CG1-CE2 3.73Å; V81-F151 HydrophobicContact CG1-CZ 3.87Å; L85-F151 HydrophobicContact CD1-CE1 4.31Å; L85-F151 HydrophobicContact CD1-CZ 4.03Å; L85-F151 HydrophobicContact CD2-CE1 4.31Å; L85-F151 HydrophobicContact CD2-CZ 4.14Å; L85-F151 HydrophobicContact CG-CZ 4.49Å; F149-F151 HydrophobicContact CD1-CB 4.28Å; F149-F151 HydrophobicContact CD1-CD1 4.05Å; F149-F151 HydrophobicContact CE1-CB 3.81Å; F149-F151 HydrophobicContact CE1-CD1 4.21Å; F149-F151 HydrophobicContact CE1-CG 4.28Å; F151-L236 WeakPolarHBondContact CA-O 3.36Å; F151-L236 HydrophobicContact CB-CB 4.09Å; F151-L236 VanDerWaalsContact CB-O 3.25Å; F151-L236 WeakPolarHBondContact CB-O 3.02Å; F151-L238 HydrophobicContact CD2-CD1 3.92Å; F151-L238 HydrophobicContact CD2-CG 4.25Å; F151-L238 HydrophobicContact CE2-CD1 3.82Å; F151-L250 HydrophobicContact CD1-CD1 4.23Å; F151-L250 HydrophobicContact CD2-CD1 3.75Å; F151-L250 HydrophobicContact CE1-CD1 4.19Å; F151-L250 HydrophobicContact CE2-CD1 3.72Å; F151-L250 HydrophobicContact CE2-CD2 3.78Å; F151-L250 HydrophobicContact CE2-CG 4.43Å; F151-L250 HydrophobicContact CG-CD1 4Å; F151-L250 HydrophobicContact CZ-CD1 3.94Å; F151-L250 HydrophobicContact CZ-CD2 3.97Å
152	S	98.9	Very high	97.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	177.3	179.3	-170.7	0	0	0	0	110.2	L71 L236 L238	L71-S152 PolarHBondContact O-OG 2.8Å; S152-L236 PolarHBondContact N-O 3.39Å; S152-L236 VanDerWaalsContact N-O 3.11Å; S152-L238 WeakPolarHBondContact O-CG 3.43Å; S152-L238 PolarHBondContact O-N 2.93Å
153	I	98.8	Very high	97.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	142	175.4	-175.3	160.6	0	0	0	109.9	F70 T73 T76 V81 L238 F243	F70-I153 HydrophobicContact CE2-CB 4.35Å; F70-I153 HydrophobicContact CE2-CG2 3.84Å; F70-I153 HydrophobicContact CZ-CG2 3.75Å; T73-I153 WeakPolarHBondContact CG2-O 3.5Å; T73-I153 PolarHBondContact OG1-O 3.07Å; T76-I153 VanDerWaalsContact O-CD1 3.26Å; T76-I153 WeakPolarHBondContact O-CD1 3.43Å; T76-I153 WeakPolarHBondContact OG1-CG2 3.29Å; V81-I153 HydrophobicContact CG2-CD1 4.19Å; I153-L238 CarbonylContact C-O 3.59Å; I153-L238 WeakPolarHBondContact CA-O 3.38Å; I153-L238 HydrophobicContact CB-CB 3.89Å; I153-L238 HydrophobicContact CB-CD1 4.47Å; I153-L238 HydrophobicContact CD1-CB 4.02Å; I153-L238 HydrophobicContact CD1-CD1 4.48Å; I153-L238 HydrophobicContact CG1-CB 3.78Å; I153-F243 HydrophobicContact CD1-CD2 4.1Å; I153-F243 HydrophobicContact CD1-CE2 3.85Å
154	I	98.7	Very high	97.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	174.2	177.1	62.4	164.2	0	0	0	110.9	L206 F210 I237 L238 V239 S240 Y304 F307	I154-L206 HydrophobicContact CB-CD1 4.06Å; I154-L206 HydrophobicContact CG2-CD1 4.21Å; I154-L206 HydrophobicContact CG2-CD2 4.46Å; I154-F210 HydrophobicContact CG2-CE2 4.08Å; I154-F210 HydrophobicContact CG2-CZ 4.25Å; I154-I237 HydrophobicContact CB-CG2 4.43Å; I154-I237 HydrophobicContact CD1-CG2 4.06Å; I154-I237 HydrophobicContact CG1-CG2 3.82Å; I154-I237 HydrophobicContact CG2-CG2 3.88Å; I154-L238 WeakPolarHBondContact CG1-O 3.37Å; I154-L238 PolarHBondContact N-O 3.38Å; I154-V239 HydrophobicContact CD1-CG2 4.5Å; I154-V239 HydrophobicContact CG1-CG2 4.27Å; I154-S240 WeakPolarHBondContact O-CB 3.47Å; I154-S240 PolarHBondContact O-N 2.86Å; I154-S240 PolarHBondContact O-OG 3.38Å; I154-Y304 HydrophobicContact CD1-CD2 4.13Å; I154-F307 HydrophobicContact CD1-CB 3.53Å
155	R	98.4	Very high	97.5	Very high	57 Å²	57	21.4 Å²	21.4	22%	0.215	13%	0.13	C	C	.	.			trans	-152.7	154.5	179	-173.6	173.4	-175.1	-177.1	0.6	109.7	K75 T76 A159 E241 Y304	K75-R155 VanDerWaalsContact O-CD 3.3Å; K75-R155 WeakPolarHBondContact O-CD 3.34Å; K75-R155 PolarHBondContact O-NH1 3.42Å; T76-R155 HydrophobicContact CG2-CB 3.78Å; R155-A159 HydrophobicContact CG-CB 4.39Å; R155-E241 WeakPolarHBondContact CA-OE2 3.18Å; R155-Y304 VanDerWaalsContact C-CD2 3.42Å
156	D	98.4	Very high	97.3	Very high	23 Å²	23	20 Å²	20	12%	0.123	12%	0.12	C	C	.	.			trans	-49.3	128.4	169.9	168.5	-92.9	0	0	0	110.3	V158 A159 L160 E241 Y304	D156-V158 PolarHBondContact O-N 3.19Å; D156-V158 WeakPolarHBondContact OD1-CA 3.31Å; D156-V158 WeakPolarHBondContact OD1-CB 3.43Å; D156-V158 PolarHBondContact OD1-N 2.92Å; D156-A159 HydrophobicContact CB-CB 4.31Å; D156-A159 PolarHBondContact O-N 3.2Å; D156-A159 PolarHBondContact OD1-N 3.28Å; D156-L160 WeakPolarHBondContact O-CB 3.5Å; D156-L160 PolarHBondContact O-N 3.18Å; D156-E241 WeakPolarHBondContact CA-OE1 3.47Å; D156-E241 WeakPolarHBondContact CB-OE1 3.32Å; D156-E241 PolarHBondContact N-OE1 2.9Å; D156-Y304 VanDerWaalsContact CA-CE2 3.47Å; D156-Y304 HydrophobicContact CB-CD2 4.45Å; D156-Y304 HydrophobicContact CB-CE1 4.18Å; D156-Y304 HydrophobicContact CB-CE2 3.93Å
157	P	98	Very high	97.1	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.006	8%	0.084	C	C	.	.	H	α-helix	trans	-65.4	-23.6	-173.4	25	-35.9	0	0	0	113.5	A161 N297 D300 W301	P157-A161 WeakPolarHBondContact O-CB 3.33Å; P157-A161 PolarHBondContact O-N 3.38Å; P157-N297 HydrophobicContact CB-CB 4.23Å; P157-D300 HydrophobicContact CB-CB 3.91Å; P157-W301 HydrophobicContact CG-CB 4.09Å; P157-W301 HydrophobicContact CG-CE3 3.75Å
158	V	98.1	Very high	97	Very high	2 Å²	2	13.2 Å²	13.2	1%	0.012	6%	0.064	C	C	.	.	H	α-helix	trans	-74.1	-48.2	176	-178.4	0	0	0	0	109.8	D156 L160 A161 E162 L285 R290 L293 R294	D156-V158 PolarHBondContact O-N 3.19Å; D156-V158 WeakPolarHBondContact OD1-CA 3.31Å; D156-V158 WeakPolarHBondContact OD1-CB 3.43Å; D156-V158 PolarHBondContact OD1-N 2.92Å; V158-L160 VanDerWaalsContact C-N 3.27Å; V158-L160 PolarHBondContact O-N 3.39Å; V158-A161 PolarHBondContact O-N 3.3Å; V158-E162 PolarHBondContact O-N 3.45Å; V158-L285 HydrophobicContact CG1-CD1 3.99Å; V158-R290 HydrophobicContact CG1-CB 4.16Å; V158-R290 HydrophobicContact CG1-CG 3.9Å; V158-R290 HydrophobicContact CG2-CB 4.44Å; V158-R290 WeakPolarHBondContact CG2-O 3.49Å; V158-L293 HydrophobicContact CG1-CD1 4.24Å; V158-L293 HydrophobicContact CG2-CB 4.37Å; V158-R294 HydrophobicContact CG2-CG 3.71Å
159	A	96.6	Very high	96.7	Very high	23 Å²	23	13.7 Å²	13.7	19%	0.19	7%	0.065	C	C	.	.	H	α-helix	trans	-63.4	-34.9	175.1	0	0	0	0	0	112.2	R155 D156 S163	R155-A159 HydrophobicContact CG-CB 4.39Å; D156-A159 HydrophobicContact CB-CB 4.31Å; D156-A159 PolarHBondContact O-N 3.2Å; D156-A159 PolarHBondContact OD1-N 3.28Å; A159-S163 WeakPolarHBondContact O-CB 3.07Å; A159-S163 PolarHBondContact O-N 2.83Å; A159-S163 VanDerWaalsContact O-N 3.09Å
160	L	97.2	Very high	96.4	Very high	4 Å²	4	17.8 Å²	17.8	2%	0.021	9%	0.085	C	C	.	.	H	α-helix	trans	-65.6	-48.4	172.5	-173.5	153.3	0	0	0	111.1	K75 T76 D156 V158 E162 S163 S164 L205 L206	K75-L160 HydrophobicContact CB-CG 4.41Å; T76-L160 HydrophobicContact CG2-CD1 4.05Å; D156-L160 WeakPolarHBondContact O-CB 3.5Å; D156-L160 PolarHBondContact O-N 3.18Å; V158-L160 VanDerWaalsContact C-N 3.27Å; V158-L160 PolarHBondContact O-N 3.39Å; L160-E162 VanDerWaalsContact C-N 3.32Å; L160-E162 PolarHBondContact O-N 3.16Å; L160-S163 PolarHBondContact O-N 3.45Å; L160-S164 VanDerWaalsContact O-CB 3.29Å; L160-S164 WeakPolarHBondContact O-CB 3.21Å; L160-S164 PolarHBondContact O-N 3.48Å; L160-L205 HydrophobicContact CD2-CB 3.98Å; L160-L205 HydrophobicContact CD2-CD2 4.11Å; L160-L206 HydrophobicContact CD1-CD1 4.05Å; L160-L206 HydrophobicContact CD1-CD2 3.55Å; L160-L206 HydrophobicContact CD1-CG 3.56Å
161	A	97.4	Very high	96.1	Very high	10 Å²	10	19.5 Å²	19.5	8%	0.083	10%	0.097	C	C	.	.	H	α-helix	trans	-59.4	-42	177.9	0	0	0	0	0	111.7	P157 V158 S164 F165 L293	P157-A161 WeakPolarHBondContact O-CB 3.33Å; P157-A161 PolarHBondContact O-N 3.38Å; V158-A161 PolarHBondContact O-N 3.3Å; A161-S164 PolarHBondContact O-N 2.91Å; A161-F165 VanDerWaalsContact O-CB 3.3Å; A161-F165 WeakPolarHBondContact O-CB 3.25Å; A161-F165 PolarHBondContact O-N 3.38Å; A161-L293 HydrophobicContact CB-CD1 4.34Å; A161-L293 HydrophobicContact CB-CD2 4.46Å
162	E	95.9	Very high	96	Very high	50 Å²	50	19.5 Å²	19.5	23%	0.234	10%	0.097	C	C	.	.	H	α-helix	trans	-60.6	-47.1	174.4	-172	-148.8	97.6	0	0	111.9	V158 L160 S164 A166 L181 R269 L283	V158-E162 PolarHBondContact O-N 3.45Å; L160-E162 VanDerWaalsContact C-N 3.32Å; L160-E162 PolarHBondContact O-N 3.16Å; E162-S164 VanDerWaalsContact C-N 3.34Å; E162-S164 PolarHBondContact O-N 3.27Å; E162-A166 VanDerWaalsContact O-CB 3.31Å; E162-A166 WeakPolarHBondContact O-CB 3.22Å; E162-A166 PolarHBondContact O-N 2.78Å; E162-L181 HydrophobicContact CB-CD2 3.77Å; E162-L181 HydrophobicContact CG-CD2 3.84Å; E162-R269 IonicContact OE1-CZ 3.03Å; E162-R269 IonicContact OE1-NH1 3.41Å; E162-R269 PolarHBondContact OE1-NH1 3.39Å; E162-R269 VanDerWaalsContact OE1-NH1 3.12Å; E162-R269 IonicContact OE1-NH2 3.23Å; E162-R269 PolarHBondContact OE1-NH2 3.29Å; E162-L283 HydrophobicContact CG-CB 4.3Å; E162-L283 HydrophobicContact CG-CD1 4.41Å; E162-L283 HydrophobicContact CG-CD2 4.25Å
163	S	94.4	Very high	95.9	Very high	7 Å²	7	20.8 Å²	20.8	5%	0.049	11%	0.106	C	C	.	.	H	α-helix	trans	-66.4	-36.7	178.4	-167.4	0	0	0	0	112.5	K75 A159 L160 Y167	K75-S163 WeakPolarHBondContact CE-OG 3.4Å; A159-S163 WeakPolarHBondContact O-CB 3.07Å; A159-S163 PolarHBondContact O-N 2.83Å; A159-S163 VanDerWaalsContact O-N 3.09Å; L160-S163 PolarHBondContact O-N 3.45Å; S163-Y167 VanDerWaalsContact O-CB 3.24Å; S163-Y167 WeakPolarHBondContact O-CB 3.42Å; S163-Y167 PolarHBondContact O-N 3.37Å; S163-Y167 VanDerWaalsContact O-N 3.11Å
164	S	96.1	Very high	95.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-67.5	-50	177	-169.8	0	0	0	0	111	L160 A161 E162 A166 Y167 Y168 Y201	L160-S164 VanDerWaalsContact O-CB 3.29Å; L160-S164 WeakPolarHBondContact O-CB 3.21Å; L160-S164 PolarHBondContact O-N 3.48Å; A161-S164 PolarHBondContact O-N 2.91Å; E162-S164 VanDerWaalsContact C-N 3.34Å; E162-S164 PolarHBondContact O-N 3.27Å; S164-A166 VanDerWaalsContact C-N 3.35Å; S164-A166 PolarHBondContact O-N 2.96Å; S164-Y167 PolarHBondContact O-N 3.36Å; S164-Y168 WeakPolarHBondContact O-CB 3.16Å; S164-Y168 WeakPolarHBondContact O-CD2 3.37Å; S164-Y168 PolarHBondContact O-N 3.01Å; S164-Y168 WeakPolarHBondContact OG-CD2 3.41Å; S164-Y201 PolarHBondContact OG-O 3.27Å
165	F	96.1	Very high	95.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-57.1	-48.5	176.7	-175.5	-81.9	0	0	0	111.5	A161 Y167 K169 F175 A178 L181 F184 P281 L283 L366	A161-F165 VanDerWaalsContact O-CB 3.3Å; A161-F165 WeakPolarHBondContact O-CB 3.25Å; A161-F165 PolarHBondContact O-N 3.38Å; F165-Y167 VanDerWaalsContact C-N 3.34Å; F165-Y167 PolarHBondContact O-N 3.21Å; F165-K169 HydrophobicContact CE1-CD 3.89Å; F165-K169 HydrophobicContact CZ-CD 3.97Å; F165-K169 WeakPolarHBondContact O-CA 3.5Å; F165-K169 WeakPolarHBondContact O-CB 3.4Å; F165-K169 PolarHBondContact O-N 3.48Å; F165-F175 HydrophobicContact CB-CD1 4.41Å; F165-F175 HydrophobicContact CB-CE1 4.27Å; F165-F175 HydrophobicContact CB-CE2 4.41Å; F165-F175 HydrophobicContact CB-CG 4.49Å; F165-F175 HydrophobicContact CB-CZ 4.23Å; F165-F175 HydrophobicContact CD2-CB 4Å; F165-F175 AromaticContact CD2-CD1 3.4Å; F165-F175 HydrophobicContact CD2-CD1 3.4Å; F165-F175 AromaticContact CD2-CE1 3.88Å; F165-F175 HydrophobicContact CD2-CE1 3.88Å; F165-F175 AromaticContact CD2-CG 3.77Å; F165-F175 HydrophobicContact CD2-CG 3.77Å; F165-F175 HydrophobicContact CE2-CB 4.15Å; F165-F175 HydrophobicContact CE2-CD1 4.05Å; F165-F175 HydrophobicContact CE2-CG 4.37Å; F165-F175 HydrophobicContact CG-CD1 4.27Å; F165-F175 HydrophobicContact CG-CG 4.35Å; F165-A178 HydrophobicContact CE2-CB 4.19Å; F165-L181 HydrophobicContact CB-CD1 3.76Å; F165-L181 HydrophobicContact CD1-CB 4.17Å; F165-L181 HydrophobicContact CD2-CB 4.37Å; F165-L181 HydrophobicContact CD2-CD1 3.74Å; F165-L181 HydrophobicContact CE1-CB 4.32Å; F165-L181 HydrophobicContact CE2-CD1 4.48Å; F165-L181 HydrophobicContact CG-CB 4.2Å; F165-L181 HydrophobicContact CG-CD1 3.79Å; F165-L181 HydrophobicContact CZ-CB 4.49Å; F165-F184 HydrophobicContact CE2-CB 4.14Å; F165-P281 HydrophobicContact CE1-CB 4.38Å; F165-L283 HydrophobicContact CD1-CD2 3.73Å; F165-L283 HydrophobicContact CE1-CD2 4.33Å; F165-L366 HydrophobicContact CD1-CD1 4.49Å; F165-L366 HydrophobicContact CE1-CD1 4.27Å
166	A	92.7	Very high	95.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.1	-42.3	-179.7	0	0	0	0	0	112.5	E162 S164 L283 L366 V367	E162-A166 VanDerWaalsContact O-CB 3.31Å; E162-A166 WeakPolarHBondContact O-CB 3.22Å; E162-A166 PolarHBondContact O-N 2.78Å; S164-A166 VanDerWaalsContact C-N 3.35Å; S164-A166 PolarHBondContact O-N 2.96Å; A166-L283 HydrophobicContact CB-CD1 4.05Å; A166-L283 HydrophobicContact CB-CD2 4.22Å; A166-L366 PolarHBondContact O-N 3.1Å; A166-V367 HydrophobicContact CB-CG1 3.89Å; A166-V367 HydrophobicContact CB-CG2 4.36Å
167	Y	92	Very high	95.4	Very high	47 Å²	47	29.4 Å²	29.4	18%	0.184	14%	0.14	C	C	.	.	H	α-helix	trans	-80.9	-42.6	-175.2	-174.6	-90.2	0	0	0	112.7	K75 S163 S164 F165 G365 I369	K75-Y167 HydrophobicContact CD-CG 4.44Å; S163-Y167 VanDerWaalsContact O-CB 3.24Å; S163-Y167 WeakPolarHBondContact O-CB 3.42Å; S163-Y167 PolarHBondContact O-N 3.37Å; S163-Y167 VanDerWaalsContact O-N 3.11Å; S164-Y167 PolarHBondContact O-N 3.36Å; F165-Y167 VanDerWaalsContact C-N 3.34Å; F165-Y167 PolarHBondContact O-N 3.21Å; Y167-G365 WeakPolarHBondContact O-CA 3.39Å; Y167-G365 PolarHBondContact O-N 3.43Å; Y167-I369 HydrophobicContact CD2-CD1 3.9Å; Y167-I369 HydrophobicContact CE2-CD1 3.55Å
168	Y	94.8	Very high	95.2	Very high	18 Å²	18	29.5 Å²	29.5	7%	0.071	14%	0.14	C	C	.	.	H	α-helix	trans	-97.5	10.9	-175.6	-61.1	-70.1	0	0	0	113.7	H74 K75 S164 E170 V171 A172 Y201	H74-Y168 PolarHBondContact CD2-OH 2.74Å; K75-Y168 HydrophobicContact CD-CE2 3.86Å; K75-Y168 HydrophobicContact CG-CE2 4.17Å; S164-Y168 WeakPolarHBondContact O-CB 3.16Å; S164-Y168 WeakPolarHBondContact O-CD2 3.37Å; S164-Y168 PolarHBondContact O-N 3.01Å; S164-Y168 WeakPolarHBondContact OG-CD2 3.41Å; Y168-E170 PolarHBondContact O-N 3.22Å; Y168-E170 VanDerWaalsContact O-N 3.13Å; Y168-V171 PolarHBondContact O-N 2.91Å; Y168-A172 PolarHBondContact O-N 2.94Å; Y168-Y201 HydrophobicContact CD1-CD1 4.37Å; Y168-Y201 AromaticContact CD1-CD2 3.75Å; Y168-Y201 HydrophobicContact CD1-CD2 3.75Å; Y168-Y201 HydrophobicContact CD1-CE1 4.37Å; Y168-Y201 AromaticContact CD1-CE2 3.77Å; Y168-Y201 HydrophobicContact CD1-CE2 3.77Å; Y168-Y201 HydrophobicContact CD1-CG 4.08Å; Y168-Y201 AromaticContact CD2-CD1 3.89Å; Y168-Y201 HydrophobicContact CD2-CD1 3.89Å; Y168-Y201 HydrophobicContact CD2-CD2 4.26Å; Y168-Y201 HydrophobicContact CD2-CE1 4.5Å; Y168-Y201 AromaticContact CD2-CG 3.76Å; Y168-Y201 HydrophobicContact CD2-CG 3.76Å; Y168-Y201 HydrophobicContact CE1-CD1 4.05Å; Y168-Y201 HydrophobicContact CE1-CD2 4.05Å; Y168-Y201 AromaticContact CE1-CE1 3.71Å; Y168-Y201 HydrophobicContact CE1-CE1 3.71Å; Y168-Y201 AromaticContact CE1-CE2 3.73Å; Y168-Y201 HydrophobicContact CE1-CE2 3.73Å; Y168-Y201 HydrophobicContact CE1-CG 4.21Å; Y168-Y201 AromaticContact CE1-CZ 3.54Å; Y168-Y201 AromaticContact CE2-CD1 3.55Å; Y168-Y201 HydrophobicContact CE2-CD1 3.55Å; Y168-Y201 AromaticContact CE2-CE1 3.88Å; Y168-Y201 HydrophobicContact CE2-CE1 3.88Å; Y168-Y201 AromaticContact CE2-CG 3.93Å; Y168-Y201 HydrophobicContact CE2-CG 3.93Å; Y168-Y201 HydrophobicContact CG-CD1 4.29Å; Y168-Y201 AromaticContact CG-CD2 3.87Å; Y168-Y201 HydrophobicContact CG-CD2 3.87Å; Y168-Y201 HydrophobicContact CG-CE2 4.35Å; Y168-Y201 AromaticContact CG-CG 3.85Å; Y168-Y201 HydrophobicContact CG-CG 3.85Å; Y168-Y201 AromaticContact CZ-CD1 3.64Å; Y168-Y201 AromaticContact CZ-CE1 3.44Å; Y168-Y201 VanDerWaalsContact CZ-CE1 3.44Å; Y168-Y201 AromaticContact CZ-CZ 3.8Å
169	K	92.8	Very high	94.9	Very high	12 Å²	12	37.7 Å²	37.7	5%	0.052	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.8	-50.3	-178.7	178.2	65.8	178.4	-179.9	0	113.4	F165 V171 F175 R176 A178 L366	F165-K169 HydrophobicContact CE1-CD 3.89Å; F165-K169 HydrophobicContact CZ-CD 3.97Å; F165-K169 WeakPolarHBondContact O-CA 3.5Å; F165-K169 WeakPolarHBondContact O-CB 3.4Å; F165-K169 PolarHBondContact O-N 3.48Å; K169-V171 VanDerWaalsContact C-N 3.33Å; K169-F175 HydrophobicContact CD-CB 4.43Å; K169-F175 WeakPolarHBondContact CD-O 3.49Å; K169-F175 WeakPolarHBondContact CE-O 3.12Å; K169-F175 PolarHBondContact NZ-O 3.48Å; K169-R176 VanDerWaalsContact O-CA 3.26Å; K169-R176 WeakPolarHBondContact O-CA 3.43Å; K169-R176 WeakPolarHBondContact O-CB 3.43Å; K169-R176 PolarHBondContact O-N 2.88Å; K169-A178 PolarHBondContact NZ-O 3.22Å; K169-L366 HydrophobicContact CB-CD1 3.66Å; K169-L366 HydrophobicContact CB-CD2 4.29Å; K169-L366 HydrophobicContact CB-CG 3.62Å; K169-L366 HydrophobicContact CD-CD1 3.91Å; K169-L366 HydrophobicContact CG-CD1 3.57Å; K169-L366 HydrophobicContact CG-CD2 3.88Å; K169-L366 HydrophobicContact CG-CG 3.67Å
170	E	91.6	Very high	94.8	Very high	100 Å²	100	36.9 Å²	36.9	47%	0.467	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-8.9	-175.4	-60.6	-50.9	136.7	0	0	113	Y168 R176	Y168-E170 PolarHBondContact O-N 3.22Å; Y168-E170 VanDerWaalsContact O-N 3.13Å; E170-R176 VanDerWaalsContact O-CZ 3.3Å; E170-R176 PolarHBondContact O-NE 2.62Å; E170-R176 VanDerWaalsContact O-NE 3.12Å; E170-R176 PolarHBondContact O-NH2 3.38Å
171	V	92.7	Very high	94.7	Very high	56 Å²	56	36.7 Å²	36.7	34%	0.339	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-35	-170.4	179.2	0	0	0	0	112.7	Y168 K169 P173 N198	Y168-V171 PolarHBondContact O-N 2.91Å; K169-V171 VanDerWaalsContact C-N 3.33Å; V171-P173 WeakPolarHBondContact O-CD 3.33Å; V171-N198 HydrophobicContact CG1-CB 4.25Å; V171-N198 VanDerWaalsContact CG1-ND2 3.32Å; V171-N198 WeakPolarHBondContact CG1-ND2 3.47Å; V171-N198 PolarHBondContact O-ND2 3.42Å
172	A	96.8	Very high	94.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-91.3	115.4	177.1	0	0	0	0	0	109.9	Y168 A174 F175 R176	Y168-A172 PolarHBondContact O-N 2.94Å; A172-A174 PolarHBondContact O-N 2.81Å; A172-A174 VanDerWaalsContact O-N 3.16Å; A172-F175 HydrophobicContact CB-CB 4.28Å; A172-F175 HydrophobicContact CB-CD2 3.64Å; A172-F175 HydrophobicContact CB-CE2 4.33Å; A172-F175 HydrophobicContact CB-CG 4.12Å; A172-F175 PolarHBondContact O-N 3.41Å; A172-R176 PolarHBondContact O-N 3.45Å
173	P	97.2	Very high	94.6	Very high	27 Å²	27	37.3 Å²	37.3	18%	0.175	17%	0.172	C	C	.	.	H	α-helix	trans	-50.5	-39.2	179.3	-30.7	34.9	0	0	0	114.5	V171 F175 R176 K177 L196 R197 N199	V171-P173 WeakPolarHBondContact O-CD 3.33Å; P173-F175 PolarHBondContact O-N 3.33Å; P173-R176 PolarHBondContact O-N 3.17Å; P173-K177 VanDerWaalsContact O-CG 3.26Å; P173-K177 WeakPolarHBondContact O-CG 3.47Å; P173-K177 PolarHBondContact O-N 2.82Å; P173-K177 VanDerWaalsContact O-N 3.14Å; P173-L196 HydrophobicContact CB-CD1 3.92Å; P173-L196 HydrophobicContact CG-CB 4.26Å; P173-L196 HydrophobicContact CG-CD1 4.4Å; P173-R197 WeakPolarHBondContact CD-O 3.26Å; P173-N199 WeakPolarHBondContact CB-OD1 3.45Å; P173-N199 WeakPolarHBondContact CD-OD1 3.33Å
174	A	97.2	Very high	94.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.7	-45.2	177.3	0	0	0	0	0	112	A172 F184 F191 Y192 N199 A202	A172-A174 PolarHBondContact O-N 2.81Å; A172-A174 VanDerWaalsContact O-N 3.16Å; A174-F184 HydrophobicContact CB-CE2 4.21Å; A174-F191 WeakPolarHBondContact CA-O 3.44Å; A174-F191 HydrophobicContact CB-CB 4.41Å; A174-F191 WeakPolarHBondContact O-CB 3.44Å; A174-Y192 HydrophobicContact CB-CD2 4.24Å; A174-N199 PolarHBondContact N-OD1 3.35Å; A174-A202 HydrophobicContact CB-CB 3.96Å
175	F	96.1	Very high	94.9	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.009	17%	0.171	C	C	.	.	H	α-helix	trans	-72.6	-39.8	178	-62	-28.4	0	0	0	112.3	F165 K169 A172 P173 K177 A178 F184 Y201 A202	F165-F175 HydrophobicContact CB-CD1 4.41Å; F165-F175 HydrophobicContact CB-CE1 4.27Å; F165-F175 HydrophobicContact CB-CE2 4.41Å; F165-F175 HydrophobicContact CB-CG 4.49Å; F165-F175 HydrophobicContact CB-CZ 4.23Å; F165-F175 HydrophobicContact CD2-CB 4Å; F165-F175 AromaticContact CD2-CD1 3.4Å; F165-F175 HydrophobicContact CD2-CD1 3.4Å; F165-F175 AromaticContact CD2-CE1 3.88Å; F165-F175 HydrophobicContact CD2-CE1 3.88Å; F165-F175 AromaticContact CD2-CG 3.77Å; F165-F175 HydrophobicContact CD2-CG 3.77Å; F165-F175 HydrophobicContact CE2-CB 4.15Å; F165-F175 HydrophobicContact CE2-CD1 4.05Å; F165-F175 HydrophobicContact CE2-CG 4.37Å; F165-F175 HydrophobicContact CG-CD1 4.27Å; F165-F175 HydrophobicContact CG-CG 4.35Å; K169-F175 HydrophobicContact CD-CB 4.43Å; K169-F175 WeakPolarHBondContact CD-O 3.49Å; K169-F175 WeakPolarHBondContact CE-O 3.12Å; K169-F175 PolarHBondContact NZ-O 3.48Å; A172-F175 HydrophobicContact CB-CB 4.28Å; A172-F175 HydrophobicContact CB-CD2 3.64Å; A172-F175 HydrophobicContact CB-CE2 4.33Å; A172-F175 HydrophobicContact CB-CG 4.12Å; A172-F175 PolarHBondContact O-N 3.41Å; P173-F175 PolarHBondContact O-N 3.33Å; F175-K177 VanDerWaalsContact C-N 3.27Å; F175-K177 PolarHBondContact O-N 3.3Å; F175-A178 PolarHBondContact O-N 2.03Å; F175-F184 HydrophobicContact CD1-CD2 4.39Å; F175-F184 HydrophobicContact CD1-CE2 4.33Å; F175-F184 HydrophobicContact CD1-CZ 4.42Å; F175-F184 HydrophobicContact CE1-CD1 4.32Å; F175-F184 AromaticContact CE1-CE1 3.98Å; F175-F184 HydrophobicContact CE1-CE1 3.98Å; F175-F184 HydrophobicContact CE1-CE2 4.37Å; F175-F184 HydrophobicContact CE1-CZ 4.01Å; F175-Y201 WeakPolarHBondContact CZ-O 3.4Å; F175-A202 HydrophobicContact CD1-CB 3.91Å; F175-A202 HydrophobicContact CE1-CB 3.34Å; F175-A202 HydrophobicContact CE2-CB 4.13Å; F175-A202 HydrophobicContact CZ-CB 3.5Å
176	R	94.8	Very high	94.9	Very high	137 Å²	137	40.7 Å²	40.7	52%	0.517	19%	0.189	S	C	.	.	H	α-helix	trans	-59.3	-39.5	-179.6	-163.6	-171	-62.4	156.7	-0.7	112	K169 E170 A172 P173	K169-R176 VanDerWaalsContact O-CA 3.26Å; K169-R176 WeakPolarHBondContact O-CA 3.43Å; K169-R176 WeakPolarHBondContact O-CB 3.43Å; K169-R176 PolarHBondContact O-N 2.88Å; E170-R176 VanDerWaalsContact O-CZ 3.3Å; E170-R176 PolarHBondContact O-NE 2.62Å; E170-R176 VanDerWaalsContact O-NE 3.12Å; E170-R176 PolarHBondContact O-NH2 3.38Å; A172-R176 PolarHBondContact O-N 3.45Å; P173-R176 PolarHBondContact O-N 3.17Å
177	K	94.8	Very high	95.2	Very high	122 Å²	122	44.3 Å²	44.3	53%	0.53	21%	0.209	S	C	.	.	H	α-helix	trans	-70.6	-33.5	-178.7	-71.2	172.9	-178.1	-177.4	0	114	P173 F175 F191	P173-K177 VanDerWaalsContact O-CG 3.26Å; P173-K177 WeakPolarHBondContact O-CG 3.47Å; P173-K177 PolarHBondContact O-N 2.82Å; P173-K177 VanDerWaalsContact O-N 3.14Å; F175-K177 VanDerWaalsContact C-N 3.27Å; F175-K177 PolarHBondContact O-N 3.3Å; K177-F191 HydrophobicContact CB-CD1 3.75Å; K177-F191 HydrophobicContact CB-CE1 4.43Å
178	A	94.6	Very high	95.4	Very high	2 Å²	2	42.9 Å²	42.9	2%	0.017	21%	0.205	C	C	.	.	S	Bend	trans	-72.4	149	176.8	0	0	0	0	0	110.5	F165 K169 F175 F184 F191	F165-A178 HydrophobicContact CE2-CB 4.19Å; K169-A178 PolarHBondContact NZ-O 3.22Å; F175-A178 PolarHBondContact O-N 2.03Å; A178-F184 HydrophobicContact CB-CB 3.88Å; A178-F191 HydrophobicContact CB-CD1 4.14Å; A178-F191 HydrophobicContact CB-CD2 4.35Å; A178-F191 HydrophobicContact CB-CE1 4.03Å; A178-F191 HydrophobicContact CB-CE2 4.27Å; A178-F191 HydrophobicContact CB-CG 4.29Å; A178-F191 HydrophobicContact CB-CZ 4.1Å
179	K	92.3	Very high	95.5	Very high	174 Å²	174	49.9 Å²	49.9	76%	0.757	24%	0.236	S	C	*	.	S	Bend	trans	-80.7	-32.5	174.2	-61.5	176.6	-179.8	176.5	0	112.1	E183	K179-E183 WeakPolarHBondContact CA-OE2 3.32Å; K179-E183 WeakPolarHBondContact CB-OE2 3.11Å; K179-E183 WeakPolarHBondContact CG-OE2 3.25Å; K179-E183 PolarHBondContact N-OE2 3.44Å
180	G	93.8	Very high	95.7	Very high	7 Å²	7	55.9 Å²	55.9	7%	0.072	26%	0.262	C	S	.	.	S	Bend	trans	-150.2	171.9	179.7	0	0	0	0	0	112.1	G182 F184	G180-G182 VanDerWaalsContact C-N 3.35Å; G180-F184 PolarHBondContact O-N 3.5Å
181	L	95.1	Very high	96	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-69.4	-36	179.9	-178.9	61	0	0	0	111.3	E162 F165 F184 A185 N282 L283 L285 L293	E162-L181 HydrophobicContact CB-CD2 3.77Å; E162-L181 HydrophobicContact CG-CD2 3.84Å; F165-L181 HydrophobicContact CB-CD1 3.76Å; F165-L181 HydrophobicContact CD1-CB 4.17Å; F165-L181 HydrophobicContact CD2-CB 4.37Å; F165-L181 HydrophobicContact CD2-CD1 3.74Å; F165-L181 HydrophobicContact CE1-CB 4.32Å; F165-L181 HydrophobicContact CE2-CD1 4.48Å; F165-L181 HydrophobicContact CG-CB 4.2Å; F165-L181 HydrophobicContact CG-CD1 3.79Å; F165-L181 HydrophobicContact CZ-CB 4.49Å; L181-F184 HydrophobicContact CD1-CD1 4.37Å; L181-F184 PolarHBondContact O-N 2.92Å; L181-A185 WeakPolarHBondContact O-CB 3.49Å; L181-A185 PolarHBondContact O-N 3.2Å; L181-N282 PolarHBondContact N-O 2.81Å; L181-L283 HydrophobicContact CB-CD2 4.2Å; L181-L283 HydrophobicContact CD2-CD2 4.28Å; L181-L285 HydrophobicContact CD2-CD1 3.66Å; L181-L285 HydrophobicContact CD2-CD2 4.35Å; L181-L285 HydrophobicContact CD2-CG 4.05Å; L181-L285 HydrophobicContact CG-CD1 4.22Å; L181-L285 HydrophobicContact CG-CD2 4.05Å; L181-L285 HydrophobicContact CG-CG 4.29Å; L181-L293 HydrophobicContact CD1-CD1 4.46Å
182	G	95.8	Very high	96.3	Very high	6 Å²	6	50 Å²	50	6%	0.062	23%	0.23	C	C	.	.	H	α-helix	trans	-58.9	-48	174.5	0	0	0	0	0	112.7	G180 F184 A185 D186 Q289	G180-G182 VanDerWaalsContact C-N 3.35Å; G182-F184 VanDerWaalsContact C-N 3.32Å; G182-F184 PolarHBondContact O-N 3.45Å; G182-A185 WeakPolarHBondContact O-CB 3.31Å; G182-A185 PolarHBondContact O-N 2.67Å; G182-D186 PolarHBondContact O-N 2.99Å; G182-Q289 PolarHBondContact O-NE2 3.3Å
183	E	95.9	Very high	96.3	Very high	67 Å²	67	51.7 Å²	51.7	31%	0.313	24%	0.239	S	C	.	.	H	α-helix	trans	-60.8	-41.4	176.4	-173.7	-171	-173.3	0	0	111.8	K179 A185 D186 D187 F191	K179-E183 WeakPolarHBondContact CA-OE2 3.32Å; K179-E183 WeakPolarHBondContact CB-OE2 3.11Å; K179-E183 WeakPolarHBondContact CG-OE2 3.25Å; K179-E183 PolarHBondContact N-OE2 3.44Å; E183-A185 VanDerWaalsContact C-N 3.33Å; E183-D186 PolarHBondContact O-N 3.49Å; E183-D187 PolarHBondContact O-N 2.74Å; E183-F191 HydrophobicContact CG-CE2 4.2Å; E183-F191 HydrophobicContact CG-CZ 3.84Å
184	F	97.6	Very high	96.3	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.009	25%	0.253	C	S	.	.	H	α-helix	trans	-63.4	-39.4	174.3	177	-96.3	0	0	0	112	F165 A174 F175 A178 G180 L181 G182 D186 D187 P188 F191 A202 L293 W296	F165-F184 HydrophobicContact CE2-CB 4.14Å; A174-F184 HydrophobicContact CB-CE2 4.21Å; F175-F184 HydrophobicContact CD1-CD2 4.39Å; F175-F184 HydrophobicContact CD1-CE2 4.33Å; F175-F184 HydrophobicContact CD1-CZ 4.42Å; F175-F184 HydrophobicContact CE1-CD1 4.32Å; F175-F184 AromaticContact CE1-CE1 3.98Å; F175-F184 HydrophobicContact CE1-CE1 3.98Å; F175-F184 HydrophobicContact CE1-CE2 4.37Å; F175-F184 HydrophobicContact CE1-CZ 4.01Å; A178-F184 HydrophobicContact CB-CB 3.88Å; G180-F184 PolarHBondContact O-N 3.5Å; L181-F184 HydrophobicContact CD1-CD1 4.37Å; L181-F184 PolarHBondContact O-N 2.92Å; G182-F184 VanDerWaalsContact C-N 3.32Å; G182-F184 PolarHBondContact O-N 3.45Å; F184-D186 VanDerWaalsContact C-N 3.35Å; F184-D187 CarbonylContact O-C 3.42Å; F184-P188 HydrophobicContact CD2-CB 4.46Å; F184-P188 HydrophobicContact CE1-CB 4.03Å; F184-P188 HydrophobicContact CE2-CB 3.96Å; F184-P188 HydrophobicContact CZ-CB 3.72Å; F184-P188 WeakPolarHBondContact O-CA 3.4Å; F184-P188 WeakPolarHBondContact O-CB 3.49Å; F184-P188 VanDerWaalsContact O-CD 3.26Å; F184-P188 WeakPolarHBondContact O-CD 3.44Å; F184-F191 HydrophobicContact CD2-CB 4.02Å; F184-F191 AromaticContact CD2-CD2 3.9Å; F184-F191 HydrophobicContact CD2-CD2 3.9Å; F184-F191 HydrophobicContact CD2-CG 4.24Å; F184-F191 HydrophobicContact CE2-CB 4.18Å; F184-A202 HydrophobicContact CZ-CB 4.05Å; F184-L293 HydrophobicContact CD1-CD2 4.28Å; F184-L293 HydrophobicContact CE1-CD2 4.33Å; F184-W296 AromaticContact CZ-NE1 3.78Å
185	A	97.9	Very high	96.3	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.008	29%	0.291	C	S	.	.	H	α-helix	trans	-67.7	-33.7	179.3	0	0	0	0	0	112.7	L181 G182 E183 L285 Q289 K292 L293	L181-A185 WeakPolarHBondContact O-CB 3.49Å; L181-A185 PolarHBondContact O-N 3.2Å; G182-A185 WeakPolarHBondContact O-CB 3.31Å; G182-A185 PolarHBondContact O-N 2.67Å; E183-A185 VanDerWaalsContact C-N 3.33Å; A185-L285 HydrophobicContact CB-CD2 3.98Å; A185-Q289 HydrophobicContact CB-CB 3.91Å; A185-Q289 HydrophobicContact CB-CG 4.24Å; A185-K292 VanDerWaalsContact O-CB 3.29Å; A185-K292 WeakPolarHBondContact O-CB 3.31Å; A185-K292 WeakPolarHBondContact O-CD 3.25Å; A185-L293 HydrophobicContact CB-CD1 4.12Å; A185-L293 HydrophobicContact CB-CD2 3.86Å; A185-L293 HydrophobicContact CB-CG 3.67Å
186	D	97.7	Very high	96.3	Very high	74 Å²	74	66.9 Å²	66.9	40%	0.396	31%	0.307	S	S	.	.	H	α-helix	trans	-69.7	-36.8	-179.8	-75.5	-41.4	0	0	0	113	G182 E183 F184 Q289 K292	G182-D186 PolarHBondContact O-N 2.99Å; E183-D186 PolarHBondContact O-N 3.49Å; F184-D186 VanDerWaalsContact C-N 3.35Å; D186-Q289 WeakPolarHBondContact OD1-CG 3.49Å; D186-Q289 PolarHBondContact OD2-NE2 2.93Å; D186-K292 IonicContact OD1-NZ 2.73Å; D186-K292 PolarHBondContact OD1-NZ 3.24Å
187	D	96.9	Very high	96.3	Very high	77 Å²	77	69.3 Å²	69.3	41%	0.412	32%	0.316	S	S	.	.			trans	-148.1	78.5	174.8	-173.5	-1.3	0	0	0	112	E183 F184 K189 K190 F191	E183-D187 PolarHBondContact O-N 2.74Å; F184-D187 CarbonylContact O-C 3.42Å; D187-K189 PolarHBondContact O-N 2.81Å; D187-K189 PolarHBondContact OD1-N 2.84Å; D187-K190 HydrophobicContact CB-CB 4.31Å; D187-K190 WeakPolarHBondContact O-CB 3.29Å; D187-K190 PolarHBondContact O-N 3.19Å; D187-K190 PolarHBondContact OD1-N 3.35Å; D187-K190 WeakPolarHBondContact OD2-CB 3.27Å; D187-F191 WeakPolarHBondContact O-CD2 3.49Å; D187-F191 WeakPolarHBondContact O-CE2 2.98Å
188	P	97.3	Very high	96.4	Very high	16 Å²	16	65.2 Å²	65.2	10%	0.104	30%	0.3	C	S	.	.	H	α-helix	trans	-67.4	-25.9	-177.4	24.4	-33.3	0	0	0	112.6	F184 K190 F191 Y192 W296	F184-P188 HydrophobicContact CD2-CB 4.46Å; F184-P188 HydrophobicContact CE1-CB 4.03Å; F184-P188 HydrophobicContact CE2-CB 3.96Å; F184-P188 HydrophobicContact CZ-CB 3.72Å; F184-P188 WeakPolarHBondContact O-CA 3.4Å; F184-P188 WeakPolarHBondContact O-CB 3.49Å; F184-P188 VanDerWaalsContact O-CD 3.26Å; F184-P188 WeakPolarHBondContact O-CD 3.44Å; P188-K190 VanDerWaalsContact C-N 3.32Å; P188-K190 PolarHBondContact O-N 2.89Å; P188-F191 PolarHBondContact O-N 2.83Å; P188-F191 VanDerWaalsContact O-N 3.15Å; P188-Y192 VanDerWaalsContact O-CB 3.24Å; P188-Y192 WeakPolarHBondContact O-CB 3.13Å; P188-Y192 PolarHBondContact O-N 3.11Å; P188-W296 HydrophobicContact CB-CD2 3.55Å; P188-W296 HydrophobicContact CB-CE3 3.87Å; P188-W296 HydrophobicContact CB-CG 3.94Å; P188-W296 HydrophobicContact CB-CH2 4.25Å; P188-W296 HydrophobicContact CB-CZ2 3.96Å; P188-W296 HydrophobicContact CB-CZ3 4.21Å; P188-W296 HydrophobicContact CG-CB 4.11Å; P188-W296 HydrophobicContact CG-CD2 3.46Å; P188-W296 VanDerWaalsContact CG-CD2 3.46Å; P188-W296 HydrophobicContact CG-CE3 3.45Å; P188-W296 VanDerWaalsContact CG-CE3 3.45Å; P188-W296 HydrophobicContact CG-CG 3.75Å; P188-W296 HydrophobicContact CG-CZ3 4.05Å
189	K	96.7	Very high	96.5	Very high	165 Å²	165	65.1 Å²	65.1	72%	0.717	30%	0.299	S	S	*	.	H	α-helix	trans	-67.5	-32.2	-179.4	-69.1	-180	-178.8	175.8	0	112.1	D187 F191 W296	D187-K189 PolarHBondContact O-N 2.81Å; D187-K189 PolarHBondContact OD1-N 2.84Å; K189-F191 PolarHBondContact O-N 3.1Å; K189-W296 HydrophobicContact CG-CH2 4.36Å; K189-W296 HydrophobicContact CG-CZ3 3.75Å
190	K	97.8	Very high	96.8	Very high	139 Å²	139	57.7 Å²	57.7	60%	0.604	27%	0.267	S	S	*	.	H	α-helix	trans	-57.4	-31.8	172.1	-179.6	-179.5	177.7	-174.2	0	113.2	D187 P188	D187-K190 HydrophobicContact CB-CB 4.31Å; D187-K190 WeakPolarHBondContact O-CB 3.29Å; D187-K190 PolarHBondContact O-N 3.19Å; D187-K190 PolarHBondContact OD1-N 3.35Å; D187-K190 WeakPolarHBondContact OD2-CB 3.27Å; P188-K190 VanDerWaalsContact C-N 3.32Å; P188-K190 PolarHBondContact O-N 2.89Å
191	F	97.6	Very high	97	Very high	11 Å²	11	58.3 Å²	58.3	5%	0.048	27%	0.267	C	S	.	.	H	α-helix	trans	-102.9	-31.3	-174	-55.9	-72.8	0	0	0	113.4	A174 K177 A178 E183 F184 D187 P188 K189	A174-F191 WeakPolarHBondContact CA-O 3.44Å; A174-F191 HydrophobicContact CB-CB 4.41Å; A174-F191 WeakPolarHBondContact O-CB 3.44Å; K177-F191 HydrophobicContact CB-CD1 3.75Å; K177-F191 HydrophobicContact CB-CE1 4.43Å; A178-F191 HydrophobicContact CB-CD1 4.14Å; A178-F191 HydrophobicContact CB-CD2 4.35Å; A178-F191 HydrophobicContact CB-CE1 4.03Å; A178-F191 HydrophobicContact CB-CE2 4.27Å; A178-F191 HydrophobicContact CB-CG 4.29Å; A178-F191 HydrophobicContact CB-CZ 4.1Å; E183-F191 HydrophobicContact CG-CE2 4.2Å; E183-F191 HydrophobicContact CG-CZ 3.84Å; F184-F191 HydrophobicContact CD2-CB 4.02Å; F184-F191 AromaticContact CD2-CD2 3.9Å; F184-F191 HydrophobicContact CD2-CD2 3.9Å; F184-F191 HydrophobicContact CD2-CG 4.24Å; F184-F191 HydrophobicContact CE2-CB 4.18Å; D187-F191 WeakPolarHBondContact O-CD2 3.49Å; D187-F191 WeakPolarHBondContact O-CE2 2.98Å; P188-F191 PolarHBondContact O-N 2.83Å; P188-F191 VanDerWaalsContact O-N 3.15Å; K189-F191 PolarHBondContact O-N 3.1Å
192	Y	98.2	Very high	97.1	Very high	22 Å²	22	58.5 Å²	58.5	9%	0.086	27%	0.269	C	S	.	.			trans	-86.6	120.5	-171.3	-172	-92.3	0	0	0	113	A174 P188 P194 N199 A202 R203 N214 N215 W296	A174-Y192 HydrophobicContact CB-CD2 4.24Å; P188-Y192 VanDerWaalsContact O-CB 3.24Å; P188-Y192 WeakPolarHBondContact O-CB 3.13Å; P188-Y192 PolarHBondContact O-N 3.11Å; Y192-P194 HydrophobicContact CE1-CB 3.97Å; Y192-N199 HydrophobicContact CD2-CB 4.35Å; Y192-N199 HydrophobicContact CE2-CB 4.02Å; Y192-N199 WeakPolarHBondContact CE2-O 3.33Å; Y192-A202 HydrophobicContact CD2-CB 3.98Å; Y192-A202 HydrophobicContact CE2-CB 4.16Å; Y192-R203 HydrophobicContact CD2-CB 4.23Å; Y192-R203 HydrophobicContact CE2-CB 3.57Å; Y192-N214 PolarHBondContact OH-ND2 2.97Å; Y192-N215 VanDerWaalsContact CE1-OD1 3.24Å; Y192-N215 WeakPolarHBondContact CE1-OD1 3.13Å; Y192-N215 VanDerWaalsContact CZ-OD1 3.29Å; Y192-N215 PolarHBondContact OH-OD1 2.89Å; Y192-W296 AromaticContact CD1-CH2 3.82Å; Y192-W296 HydrophobicContact CD1-CH2 3.82Å; Y192-W296 AromaticContact CD1-CZ2 3.89Å; Y192-W296 HydrophobicContact CD1-CZ2 3.89Å; Y192-W296 AromaticContact CD2-CZ2 3.8Å; Y192-W296 HydrophobicContact CD2-CZ2 3.8Å; Y192-W296 HydrophobicContact CE1-CZ2 4.5Å; Y192-W296 HydrophobicContact CE2-CZ2 4.39Å; Y192-W296 AromaticContact CG-CH2 3.8Å; Y192-W296 HydrophobicContact CG-CH2 3.8Å; Y192-W296 AromaticContact CG-CZ2 3.5Å; Y192-W296 HydrophobicContact CG-CZ2 3.5Å
193	D	97.6	Very high	97.3	Very high	34 Å²	34	60.2 Å²	60.2	18%	0.182	27%	0.273	C	S	.	.			trans	-121.1	117.6	168	-177.4	-22.2	0	0	0	109	R195 L196 N199	D193-R195 PolarHBondContact O-N 2.94Å; D193-R195 WeakPolarHBondContact OD1-CB 3.37Å; D193-R195 IonicContact OD1-CZ 3.73Å; D193-R195 PolarHBondContact OD1-N 2.66Å; D193-R195 IonicContact OD1-NE 3.34Å; D193-R195 PolarHBondContact OD1-NE 2.89Å; D193-R195 IonicContact OD1-NH2 3.81Å; D193-R195 IonicContact OD2-CZ 2.84Å; D193-R195 IonicContact OD2-NE 3.29Å; D193-R195 PolarHBondContact OD2-NE 3.11Å; D193-R195 IonicContact OD2-NH2 3.51Å; D193-R195 PolarHBondContact OD2-NH2 2.85Å; D193-L196 HydrophobicContact CB-CD1 3.82Å; D193-L196 HydrophobicContact CB-CG 3.87Å; D193-L196 PolarHBondContact O-N 3.24Å; D193-N199 PolarHBondContact N-ND2 3.13Å; D193-N199 WeakPolarHBondContact O-CB 3.01Å; D193-N199 PolarHBondContact O-ND2 2.79Å
194	P	96.7	Very high	97.4	Very high	73 Å²	73	57.1 Å²	57.1	47%	0.474	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-19.2	-176.4	26.9	-35.6	0	0	0	114	Y192 L196 N215	Y192-P194 HydrophobicContact CE1-CB 3.97Å; P194-L196 VanDerWaalsContact C-N 3.35Å; P194-N215 HydrophobicContact CB-CB 4.43Å; P194-N215 WeakPolarHBondContact CB-OD1 3.42Å
195	R	96.3	Very high	97.5	Very high	211 Å²	211	57.1 Å²	57.1	80%	0.796	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-19.2	-178.3	-57.6	168.4	-63.8	178	4.5	112.4	D193	D193-R195 PolarHBondContact O-N 2.94Å; D193-R195 WeakPolarHBondContact OD1-CB 3.37Å; D193-R195 IonicContact OD1-CZ 3.73Å; D193-R195 PolarHBondContact OD1-N 2.66Å; D193-R195 IonicContact OD1-NE 3.34Å; D193-R195 PolarHBondContact OD1-NE 2.89Å; D193-R195 IonicContact OD1-NH2 3.81Å; D193-R195 IonicContact OD2-CZ 2.84Å; D193-R195 IonicContact OD2-NE 3.29Å; D193-R195 PolarHBondContact OD2-NE 3.11Å; D193-R195 IonicContact OD2-NH2 3.51Å; D193-R195 PolarHBondContact OD2-NH2 2.85Å
196	L	96.6	Very high	97.5	Very high	65 Å²	65	57.1 Å²	57.1	34%	0.34	26%	0.259	S	S	.	.	S	Bend	trans	-79.5	132.3	-177.3	-63.2	179.8	0	0	0	110.8	P173 D193 P194 N199	P173-L196 HydrophobicContact CB-CD1 3.92Å; P173-L196 HydrophobicContact CG-CB 4.26Å; P173-L196 HydrophobicContact CG-CD1 4.4Å; D193-L196 HydrophobicContact CB-CD1 3.82Å; D193-L196 HydrophobicContact CB-CG 3.87Å; D193-L196 PolarHBondContact O-N 3.24Å; P194-L196 VanDerWaalsContact C-N 3.35Å; L196-N199 WeakPolarHBondContact O-CB 3.41Å; L196-N199 PolarHBondContact O-N 2.91Å
197	R	95.4	Very high	97.5	Very high	188 Å²	188	54 Å²	54	71%	0.709	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	142.1	174.7	-174.8	178.1	174.1	-177.1	1.8	110.8	P173 N199	P173-R197 WeakPolarHBondContact CD-O 3.26Å; R197-N199 PolarHBondContact O-N 2.94Å
198	N	96.5	Very high	97.6	Very high	36 Å²	36	50.9 Å²	50.9	19%	0.193	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	-3.6	-179.1	-52.9	-29.9	0	0	0	116.2	V171 H200 Y201	V171-N198 HydrophobicContact CG1-CB 4.25Å; V171-N198 VanDerWaalsContact CG1-ND2 3.32Å; V171-N198 WeakPolarHBondContact CG1-ND2 3.47Å; V171-N198 PolarHBondContact O-ND2 3.42Å; N198-H200 PolarHBondContact O-N 3.28Å; N198-Y201 HydrophobicContact CB-CD2 4.06Å; N198-Y201 HydrophobicContact CB-CE2 4.08Å; N198-Y201 WeakPolarHBondContact O-CD2 3.42Å; N198-Y201 PolarHBondContact O-N 3.16Å
199	N	97.1	Very high	97.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-67.2	-20.1	179.4	-90.5	1.6	0	0	0	113.6	P173 A174 Y192 D193 L196 R197 Y201 A202	P173-N199 WeakPolarHBondContact CB-OD1 3.45Å; P173-N199 WeakPolarHBondContact CD-OD1 3.33Å; A174-N199 PolarHBondContact N-OD1 3.35Å; Y192-N199 HydrophobicContact CD2-CB 4.35Å; Y192-N199 HydrophobicContact CE2-CB 4.02Å; Y192-N199 WeakPolarHBondContact CE2-O 3.33Å; D193-N199 PolarHBondContact N-ND2 3.13Å; D193-N199 WeakPolarHBondContact O-CB 3.01Å; D193-N199 PolarHBondContact O-ND2 2.79Å; L196-N199 WeakPolarHBondContact O-CB 3.41Å; L196-N199 PolarHBondContact O-N 2.91Å; R197-N199 PolarHBondContact O-N 2.94Å; N199-Y201 PolarHBondContact O-N 2.84Å; N199-A202 WeakPolarHBondContact O-CB 3.37Å; N199-A202 PolarHBondContact O-N 2.84Å
200	H	97.8	Very high	97.8	Very high	18 Å²	18	42.4 Å²	42.4	8%	0.083	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-53.9	-25.1	174.6	61.3	-95.6	0	0	0	113.9	Y106 N198 A202 R203 F208	Y106-H200 AromaticContact CE1-CE1 3.99Å; Y106-H200 AromaticContact CE1-NE2 3.26Å; Y106-H200 VanDerWaalsContact CE1-NE2 3.26Å; Y106-H200 WeakPolarHBondContact CE1-NE2 3.3Å; Y106-H200 AromaticContact CZ-CD2 3.86Å; Y106-H200 AromaticContact CZ-NE2 3.45Å; Y106-H200 PolarHBondContact OH-CD2 2.88Å; Y106-H200 PolarHBondContact OH-NE2 3.4Å; N198-H200 PolarHBondContact O-N 3.28Å; H200-A202 PolarHBondContact O-N 3.47Å; H200-A202 VanDerWaalsContact O-N 3.12Å; H200-R203 PolarHBondContact O-N 2.89Å; H200-F208 HydrophobicContact CB-CD1 4.21Å; H200-F208 HydrophobicContact CB-CD2 4Å; H200-F208 HydrophobicContact CB-CE1 4.13Å; H200-F208 HydrophobicContact CB-CE2 3.9Å; H200-F208 HydrophobicContact CB-CG 4.15Å; H200-F208 HydrophobicContact CB-CZ 3.97Å; H200-F208 AromaticContact CD2-CD1 3.82Å; H200-F208 AromaticContact CD2-CE1 3.6Å; H200-F208 AromaticContact CG-CE1 3.75Å; H200-F208 AromaticContact CG-CZ 3.84Å
201	Y	98.3	Very high	97.8	Very high	20 Å²	20	37 Å²	37	8%	0.078	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-62.4	-16.4	173.3	-64.9	-55.5	0	0	0	114.2	Y106 S164 Y168 F175 N198 N199 L205	Y106-Y201 AromaticContact CE1-CE1 3.98Å; Y106-Y201 HydrophobicContact CE1-CE1 3.98Å; Y106-Y201 AromaticContact CE1-CZ 3.92Å; Y106-Y201 WeakPolarHBondContact CE1-OH 3.46Å; S164-Y201 PolarHBondContact OG-O 3.27Å; Y168-Y201 HydrophobicContact CD1-CD1 4.37Å; Y168-Y201 AromaticContact CD1-CD2 3.75Å; Y168-Y201 HydrophobicContact CD1-CD2 3.75Å; Y168-Y201 HydrophobicContact CD1-CE1 4.37Å; Y168-Y201 AromaticContact CD1-CE2 3.77Å; Y168-Y201 HydrophobicContact CD1-CE2 3.77Å; Y168-Y201 HydrophobicContact CD1-CG 4.08Å; Y168-Y201 AromaticContact CD2-CD1 3.89Å; Y168-Y201 HydrophobicContact CD2-CD1 3.89Å; Y168-Y201 HydrophobicContact CD2-CD2 4.26Å; Y168-Y201 HydrophobicContact CD2-CE1 4.5Å; Y168-Y201 AromaticContact CD2-CG 3.76Å; Y168-Y201 HydrophobicContact CD2-CG 3.76Å; Y168-Y201 HydrophobicContact CE1-CD1 4.05Å; Y168-Y201 HydrophobicContact CE1-CD2 4.05Å; Y168-Y201 AromaticContact CE1-CE1 3.71Å; Y168-Y201 HydrophobicContact CE1-CE1 3.71Å; Y168-Y201 AromaticContact CE1-CE2 3.73Å; Y168-Y201 HydrophobicContact CE1-CE2 3.73Å; Y168-Y201 HydrophobicContact CE1-CG 4.21Å; Y168-Y201 AromaticContact CE1-CZ 3.54Å; Y168-Y201 AromaticContact CE2-CD1 3.55Å; Y168-Y201 HydrophobicContact CE2-CD1 3.55Å; Y168-Y201 AromaticContact CE2-CE1 3.88Å; Y168-Y201 HydrophobicContact CE2-CE1 3.88Å; Y168-Y201 AromaticContact CE2-CG 3.93Å; Y168-Y201 HydrophobicContact CE2-CG 3.93Å; Y168-Y201 HydrophobicContact CG-CD1 4.29Å; Y168-Y201 AromaticContact CG-CD2 3.87Å; Y168-Y201 HydrophobicContact CG-CD2 3.87Å; Y168-Y201 HydrophobicContact CG-CE2 4.35Å; Y168-Y201 AromaticContact CG-CG 3.85Å; Y168-Y201 HydrophobicContact CG-CG 3.85Å; Y168-Y201 AromaticContact CZ-CD1 3.64Å; Y168-Y201 AromaticContact CZ-CE1 3.44Å; Y168-Y201 VanDerWaalsContact CZ-CE1 3.44Å; Y168-Y201 AromaticContact CZ-CZ 3.8Å; F175-Y201 WeakPolarHBondContact CZ-O 3.4Å; N198-Y201 HydrophobicContact CB-CD2 4.06Å; N198-Y201 HydrophobicContact CB-CE2 4.08Å; N198-Y201 WeakPolarHBondContact O-CD2 3.42Å; N198-Y201 PolarHBondContact O-N 3.16Å; N199-Y201 PolarHBondContact O-N 2.84Å; Y201-L205 HydrophobicContact CD1-CD1 3.95Å; Y201-L205 HydrophobicContact CD1-CD2 4.09Å
202	A	98.3	Very high	97.9	Very high	4 Å²	4	38.3 Å²	38.3	3%	0.033	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-101.2	-2.5	-173.7	0	0	0	0	0	114.9	A174 F175 F184 Y192 N199 H200 W296	A174-A202 HydrophobicContact CB-CB 3.96Å; F175-A202 HydrophobicContact CD1-CB 3.91Å; F175-A202 HydrophobicContact CE1-CB 3.34Å; F175-A202 HydrophobicContact CE2-CB 4.13Å; F175-A202 HydrophobicContact CZ-CB 3.5Å; F184-A202 HydrophobicContact CZ-CB 4.05Å; Y192-A202 HydrophobicContact CD2-CB 3.98Å; Y192-A202 HydrophobicContact CE2-CB 4.16Å; N199-A202 WeakPolarHBondContact O-CB 3.37Å; N199-A202 PolarHBondContact O-N 2.84Å; H200-A202 PolarHBondContact O-N 3.47Å; H200-A202 VanDerWaalsContact O-N 3.12Å; A202-W296 PolarHBondContact O-NE1 3.1Å
203	R	98.6	Very high	97.9	Very high	41 Å²	41	41.1 Å²	41.1	16%	0.155	19%	0.194	C	C	.	.	S	Bend	trans	-153.4	125.9	-177.3	-172.1	-177.1	-174.5	-163.9	-10.8	111.8	Y192 H200 L205 N214 N215 W296 N297	Y192-R203 HydrophobicContact CD2-CB 4.23Å; Y192-R203 HydrophobicContact CE2-CB 3.57Å; H200-R203 PolarHBondContact O-N 2.89Å; R203-L205 VanDerWaalsContact C-N 3.35Å; R203-L205 PolarHBondContact O-N 2.87Å; R203-N214 WeakPolarHBondContact O-CB 3.33Å; R203-N214 PolarHBondContact O-ND2 3.12Å; R203-N215 PolarHBondContact NH1-O 3.31Å; R203-W296 HydrophobicContact CB-CZ2 3.84Å; R203-W296 VanDerWaalsContact CD-CZ2 3.48Å; R203-W296 HydrophobicContact CG-CD2 4.33Å; R203-W296 HydrophobicContact CG-CH2 4.43Å; R203-W296 HydrophobicContact CG-CZ2 3.75Å; R203-N297 WeakPolarHBondContact CA-OD1 3.43Å
204	N	98.8	Very high	97.9	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.016	19%	0.186	C	C	.	.			trans	45	55.1	176.4	-63.6	-53.3	0	0	0	112.3	W207 F208 N214 N297 A298 F299 D300	N204-W207 HydrophobicContact CB-CB 3.9Å; N204-W207 WeakPolarHBondContact O-CB 3.46Å; N204-W207 PolarHBondContact O-N 3.47Å; N204-F208 WeakPolarHBondContact O-CB 3.2Å; N204-F208 PolarHBondContact O-N 3.29Å; N204-N214 HydrophobicContact CB-CB 3.97Å; N204-N214 PolarHBondContact ND2-O 2.86Å; N204-N214 VanDerWaalsContact ND2-O 3.07Å; N204-N214 WeakPolarHBondContact O-CB 3.32Å; N204-N297 PolarHBondContact N-OD1 2.78Å; N204-N297 WeakPolarHBondContact OD1-CA 3.45Å; N204-N297 PolarHBondContact OD1-O 3.15Å; N204-A298 PolarHBondContact OD1-N 2.82Å; N204-F299 HydrophobicContact CB-CB 4.41Å; N204-F299 PolarHBondContact OD1-N 2.85Å; N204-F299 VanDerWaalsContact OD1-N 3.16Å; N204-D300 VanDerWaalsContact C-OD1 3.24Å; N204-D300 VanDerWaalsContact C-OD2 3.25Å; N204-D300 VanDerWaalsContact CA-CG 3.48Å; N204-D300 WeakPolarHBondContact CA-OD1 3.48Å; N204-D300 WeakPolarHBondContact CA-OD2 3.44Å; N204-D300 PolarHBondContact OD1-N 2.88Å
205	L	98.7	Very high	98	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-71.4	-34.6	-171.1	-178	55.1	0	0	0	112	H74 L160 Y201 R203 F208 D209 D300	H74-L205 HydrophobicContact CB-CD1 4.44Å; H74-L205 HydrophobicContact CB-CD2 3.65Å; H74-L205 HydrophobicContact CB-CG 4.06Å; L160-L205 HydrophobicContact CD2-CB 3.98Å; L160-L205 HydrophobicContact CD2-CD2 4.11Å; Y201-L205 HydrophobicContact CD1-CD1 3.95Å; Y201-L205 HydrophobicContact CD1-CD2 4.09Å; R203-L205 VanDerWaalsContact C-N 3.35Å; R203-L205 PolarHBondContact O-N 2.87Å; L205-F208 WeakPolarHBondContact O-CB 3.36Å; L205-F208 PolarHBondContact O-N 2.88Å; L205-D209 VanDerWaalsContact O-CG 3.3Å; L205-D209 PolarHBondContact O-N 3.02Å; L205-D300 PolarHBondContact N-OD2 3.08Å
206	L	98.7	Very high	98	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.7	-49	173	-63	173.9	0	0	0	110	T73 T76 I154 L160 F208 D209 F210 D300	T73-L206 HydrophobicContact CG2-CD2 4.06Å; T76-L206 HydrophobicContact CG2-CD2 3.76Å; I154-L206 HydrophobicContact CB-CD1 4.06Å; I154-L206 HydrophobicContact CG2-CD1 4.21Å; I154-L206 HydrophobicContact CG2-CD2 4.46Å; L160-L206 HydrophobicContact CD1-CD1 4.05Å; L160-L206 HydrophobicContact CD1-CD2 3.55Å; L160-L206 HydrophobicContact CD1-CG 3.56Å; L206-F208 PolarHBondContact O-N 3.48Å; L206-D209 PolarHBondContact O-N 3.45Å; L206-D209 VanDerWaalsContact O-N 3.1Å; L206-F210 WeakPolarHBondContact O-CD2 3.43Å; L206-F210 PolarHBondContact O-N 3.22Å; L206-D300 HydrophobicContact CB-CB 4.44Å; L206-D300 WeakPolarHBondContact CB-OD1 3.22Å; L206-D300 HydrophobicContact CD1-CB 4.32Å; L206-D300 PolarHBondContact N-OD1 3.49Å; L206-D300 PolarHBondContact N-OD2 3.27Å
207	W	98.8	Very high	98	Very high	9 Å²	9	32.7 Å²	32.7	3%	0.034	16%	0.164	C	C	.	.	H	α-helix	trans	-54.6	-42.6	176.4	-162.4	-103.4	0	0	0	111.7	N204 F210 L212 D213 F299 D300 L303	N204-W207 HydrophobicContact CB-CB 3.9Å; N204-W207 WeakPolarHBondContact O-CB 3.46Å; N204-W207 PolarHBondContact O-N 3.47Å; W207-F210 PolarHBondContact O-N 2.89Å; W207-L212 VanDerWaalsContact CD1-CB 3.4Å; W207-L212 HydrophobicContact CD2-CB 4Å; W207-L212 HydrophobicContact CD2-CD1 3.56Å; W207-L212 HydrophobicContact CD2-CG 4.42Å; W207-L212 VanDerWaalsContact CE2-CD1 3.44Å; W207-L212 HydrophobicContact CE3-CD1 3.81Å; W207-L212 HydrophobicContact CG-CB 3.88Å; W207-L212 HydrophobicContact CG-CD1 4.21Å; W207-L212 HydrophobicContact CH2-CD1 3.77Å; W207-L212 HydrophobicContact CZ2-CB 4.3Å; W207-L212 HydrophobicContact CZ2-CD1 3.55Å; W207-L212 HydrophobicContact CZ2-CG 4.42Å; W207-L212 HydrophobicContact CZ3-CD1 3.92Å; W207-L212 WeakPolarHBondContact O-CB 3.27Å; W207-L212 PolarHBondContact O-N 2.93Å; W207-L212 VanDerWaalsContact O-N 3.08Å; W207-D213 PolarHBondContact NE1-O 3.2Å; W207-F299 HydrophobicContact CB-CB 4.08Å; W207-F299 HydrophobicContact CD2-CB 3.54Å; W207-F299 AromaticContact CD2-CD1 3.99Å; W207-F299 HydrophobicContact CD2-CD1 3.99Å; W207-F299 HydrophobicContact CD2-CD2 4.41Å; W207-F299 AromaticContact CD2-CG 3.76Å; W207-F299 HydrophobicContact CD2-CG 3.76Å; W207-F299 AromaticContact CE2-CD1 3.68Å; W207-F299 AromaticContact CE2-CG 3.72Å; W207-F299 HydrophobicContact CE3-CB 3.63Å; W207-F299 HydrophobicContact CE3-CD1 4.07Å; W207-F299 HydrophobicContact CE3-CG 4.09Å; W207-F299 HydrophobicContact CG-CB 3.75Å; W207-F299 HydrophobicContact CG-CD2 4.43Å; W207-F299 HydrophobicContact CG-CG 4.12Å; W207-F299 AromaticContact CH2-CD1 3.69Å; W207-F299 HydrophobicContact CH2-CD1 3.69Å; W207-F299 HydrophobicContact CH2-CE1 4.1Å; W207-F299 HydrophobicContact CH2-CG 4.44Å; W207-F299 AromaticContact CZ2-CD1 3.54Å; W207-F299 HydrophobicContact CZ2-CD1 3.54Å; W207-F299 AromaticContact CZ2-CE1 3.72Å; W207-F299 HydrophobicContact CZ2-CE1 3.72Å; W207-F299 HydrophobicContact CZ2-CG 4.1Å; W207-F299 HydrophobicContact CZ2-CZ 4.38Å; W207-F299 HydrophobicContact CZ3-CB 4.25Å; W207-F299 AromaticContact CZ3-CD1 3.93Å; W207-F299 HydrophobicContact CZ3-CD1 3.93Å; W207-F299 HydrophobicContact CZ3-CG 4.41Å; W207-F299 AromaticContact NE1-CD2 3.95Å; W207-F299 AromaticContact NE1-CG 3.98Å; W207-D300 WeakPolarHBondContact CB-OD1 3.35Å; W207-D300 PolarHBondContact N-OD1 3.35Å; W207-L303 HydrophobicContact CE3-CD1 3.53Å; W207-L303 HydrophobicContact CE3-CD2 4.08Å; W207-L303 HydrophobicContact CE3-CG 3.69Å; W207-L303 HydrophobicContact CZ3-CD1 4.04Å; W207-L303 HydrophobicContact CZ3-CD2 3.69Å; W207-L303 HydrophobicContact CZ3-CG 3.77Å
208	F	98.8	Very high	98.2	Very high	12 Å²	12	28.2 Å²	28.2	5%	0.053	15%	0.15	C	C	.	.	H	α-helix	trans	-60.4	-49.3	174.6	-169.8	-102.6	0	0	0	112.4	Y106 P107 R134 H200 N204 L205 L206 F210 G211 N214	Y106-F208 AromaticContact CE2-CD1 3.99Å; Y106-F208 HydrophobicContact CE2-CD1 3.99Å; Y106-F208 AromaticContact CE2-CE1 3.68Å; Y106-F208 HydrophobicContact CE2-CE1 3.68Å; Y106-F208 AromaticContact CZ-CD1 3.96Å; Y106-F208 AromaticContact CZ-CE1 3.6Å; Y106-F208 WeakPolarHBondContact OH-CD1 3.41Å; Y106-F208 WeakPolarHBondContact OH-CE1 3.31Å; P107-F208 HydrophobicContact CB-CE1 3.98Å; P107-F208 HydrophobicContact CB-CZ 3.94Å; P107-F208 WeakPolarHBondContact O-CZ 3.47Å; R134-F208 WeakPolarHBondContact CG-O 3.46Å; R134-F208 VanDerWaalsContact CZ-CE2 3.49Å; H200-F208 HydrophobicContact CB-CD1 4.21Å; H200-F208 HydrophobicContact CB-CD2 4Å; H200-F208 HydrophobicContact CB-CE1 4.13Å; H200-F208 HydrophobicContact CB-CE2 3.9Å; H200-F208 HydrophobicContact CB-CG 4.15Å; H200-F208 HydrophobicContact CB-CZ 3.97Å; H200-F208 AromaticContact CD2-CD1 3.82Å; H200-F208 AromaticContact CD2-CE1 3.6Å; H200-F208 AromaticContact CG-CE1 3.75Å; H200-F208 AromaticContact CG-CZ 3.84Å; N204-F208 WeakPolarHBondContact O-CB 3.2Å; N204-F208 PolarHBondContact O-N 3.29Å; L205-F208 WeakPolarHBondContact O-CB 3.36Å; L205-F208 PolarHBondContact O-N 2.88Å; L206-F208 PolarHBondContact O-N 3.48Å; F208-F210 VanDerWaalsContact C-N 3.29Å; F208-F210 PolarHBondContact O-N 3.5Å; F208-G211 WeakPolarHBondContact O-CA 3.47Å; F208-G211 PolarHBondContact O-N 2.63Å; F208-N214 HydrophobicContact CB-CB 3.84Å; F208-N214 HydrophobicContact CD2-CB 3.94Å; F208-N214 WeakPolarHBondContact CD2-OD1 3.33Å; F208-N214 HydrophobicContact CG-CB 4.35Å
209	D	98.8	Very high	98.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.7	-37.6	-179.4	-73.4	-26.2	0	0	0	111.7	T73 H74 F135 L205 L206 G211	T73-D209 VanDerWaalsContact CA-OD2 3.25Å; T73-D209 WeakPolarHBondContact CA-OD2 3.49Å; T73-D209 HydrophobicContact CG2-CB 4.05Å; H74-D209 IonicContact CE1-OD1 2.69Å; H74-D209 PolarHBondContact CE1-OD1 3.41Å; H74-D209 IonicContact CG-OD2 3.39Å; H74-D209 PolarHBondContact N-OD2 2.87Å; H74-D209 IonicContact ND1-OD1 2.83Å; H74-D209 PolarHBondContact ND1-OD1 2.83Å; H74-D209 IonicContact ND1-OD2 3.43Å; H74-D209 PolarHBondContact ND1-OD2 2.87Å; H74-D209 VanDerWaalsContact ND1-OD2 3.14Å; F135-D209 WeakPolarHBondContact CB-O 2.94Å; F135-D209 PolarHBondContact N-O 3.25Å; L205-D209 VanDerWaalsContact O-CG 3.3Å; L205-D209 PolarHBondContact O-N 3.02Å; L206-D209 PolarHBondContact O-N 3.45Å; L206-D209 VanDerWaalsContact O-N 3.1Å; D209-G211 PolarHBondContact O-N 3.18Å; D209-G211 VanDerWaalsContact O-N 3.08Å
210	F	98.8	Very high	98.3	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.009	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	3	171.6	-77.2	-69.1	0	0	0	114.3	L71 T73 I154 L206 W207 F208 L212 M229 I230 F234 I237 L303	L71-F210 HydrophobicContact CD2-CD1 3.35Å; L71-F210 HydrophobicContact CD2-CE1 3.65Å; L71-F210 HydrophobicContact CD2-CG 4.03Å; T73-F210 HydrophobicContact CG2-CE2 4.4Å; I154-F210 HydrophobicContact CG2-CE2 4.08Å; I154-F210 HydrophobicContact CG2-CZ 4.25Å; L206-F210 WeakPolarHBondContact O-CD2 3.43Å; L206-F210 PolarHBondContact O-N 3.22Å; W207-F210 PolarHBondContact O-N 2.89Å; F208-F210 VanDerWaalsContact C-N 3.29Å; F208-F210 PolarHBondContact O-N 3.5Å; F210-L212 HydrophobicContact CB-CD1 4.43Å; F210-M229 HydrophobicContact CB-CE 4.45Å; F210-I230 HydrophobicContact CB-CD1 4.15Å; F210-I230 HydrophobicContact CB-CG1 4.44Å; F210-I230 HydrophobicContact CD1-CD1 3.8Å; F210-I230 HydrophobicContact CD1-CG1 3.69Å; F210-I230 HydrophobicContact CD1-CG2 4.42Å; F210-I230 HydrophobicContact CD2-CD1 3.73Å; F210-I230 HydrophobicContact CE1-CD1 4.08Å; F210-I230 HydrophobicContact CE1-CG1 4.01Å; F210-I230 HydrophobicContact CE1-CG2 3.88Å; F210-I230 HydrophobicContact CE2-CD1 4.05Å; F210-I230 HydrophobicContact CG-CD1 3.63Å; F210-I230 HydrophobicContact CG-CG1 3.99Å; F210-I230 HydrophobicContact CZ-CD1 4.21Å; F210-I230 HydrophobicContact CZ-CG2 4.22Å; F210-F234 HydrophobicContact CD1-CD2 4.42Å; F210-F234 AromaticContact CD1-CE2 3.76Å; F210-F234 HydrophobicContact CD1-CE2 3.76Å; F210-F234 HydrophobicContact CD1-CZ 4.16Å; F210-F234 HydrophobicContact CE1-CD2 4.01Å; F210-F234 AromaticContact CE1-CE2 3.73Å; F210-F234 HydrophobicContact CE1-CE2 3.73Å; F210-F234 HydrophobicContact CE1-CZ 4.09Å; F210-I237 HydrophobicContact CE1-CD1 4.45Å; F210-I237 HydrophobicContact CZ-CD1 4.28Å; F210-L303 HydrophobicContact CD2-CD1 4Å; F210-L303 HydrophobicContact CE2-CD1 4.24Å
211	G	98.5	Very high	98.4	Very high	25 Å²	25	34.7 Å²	34.7	26%	0.258	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	-1.6	174.1	0	0	0	0	0	114.3	F135 F208 D209	F135-G211 VanDerWaalsContact O-CA 3.26Å; F135-G211 WeakPolarHBondContact O-CA 3.49Å; F208-G211 WeakPolarHBondContact O-CA 3.47Å; F208-G211 PolarHBondContact O-N 2.63Å; D209-G211 PolarHBondContact O-N 3.18Å; D209-G211 VanDerWaalsContact O-N 3.08Å
212	L	98.5	Very high	98.4	Very high	40 Å²	40	37.4 Å²	37.4	21%	0.209	21%	0.212	C	C	.	.	S	Bend	trans	-88	166.6	-173.5	-55.3	166.5	0	0	0	111	R134 W207 F210 N214 M229	R134-L212 PolarHBondContact NH2-O 3.04Å; W207-L212 VanDerWaalsContact CD1-CB 3.4Å; W207-L212 HydrophobicContact CD2-CB 4Å; W207-L212 HydrophobicContact CD2-CD1 3.56Å; W207-L212 HydrophobicContact CD2-CG 4.42Å; W207-L212 VanDerWaalsContact CE2-CD1 3.44Å; W207-L212 HydrophobicContact CE3-CD1 3.81Å; W207-L212 HydrophobicContact CG-CB 3.88Å; W207-L212 HydrophobicContact CG-CD1 4.21Å; W207-L212 HydrophobicContact CH2-CD1 3.77Å; W207-L212 HydrophobicContact CZ2-CB 4.3Å; W207-L212 HydrophobicContact CZ2-CD1 3.55Å; W207-L212 HydrophobicContact CZ2-CG 4.42Å; W207-L212 HydrophobicContact CZ3-CD1 3.92Å; W207-L212 WeakPolarHBondContact O-CB 3.27Å; W207-L212 PolarHBondContact O-N 2.93Å; W207-L212 VanDerWaalsContact O-N 3.08Å; F210-L212 HydrophobicContact CB-CD1 4.43Å; L212-N214 PolarHBondContact O-N 3.05Å; L212-M229 HydrophobicContact CD1-CE 3.9Å; L212-M229 HydrophobicContact CD2-CE 3.88Å; L212-M229 HydrophobicContact CG-CE 3.95Å
213	D	98.1	Very high	98.4	Very high	81 Å²	81	37.2 Å²	37.2	43%	0.433	21%	0.211	S	C	.	.			trans	-80.2	111.3	178.4	180	15.3	0	0	0	111	W207 N215 A216	W207-D213 PolarHBondContact NE1-O 3.2Å; D213-N215 PolarHBondContact O-N 3.48Å; D213-N215 WeakPolarHBondContact OD1-CB 3.45Å; D213-N215 PolarHBondContact OD1-N 3.1Å; D213-A216 HydrophobicContact CB-CB 4.32Å; D213-A216 PolarHBondContact OD2-N 3.38Å
214	N	98.1	Very high	98.4	Very high	3 Å²	3	42 Å²	42	2%	0.016	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-13.1	-177.9	77.8	-62.3	0	0	0	113.6	Y192 R203 N204 F208 L212	Y192-N214 PolarHBondContact OH-ND2 2.97Å; R203-N214 WeakPolarHBondContact O-CB 3.33Å; R203-N214 PolarHBondContact O-ND2 3.12Å; N204-N214 HydrophobicContact CB-CB 3.97Å; N204-N214 PolarHBondContact ND2-O 2.86Å; N204-N214 VanDerWaalsContact ND2-O 3.07Å; N204-N214 WeakPolarHBondContact O-CB 3.32Å; F208-N214 HydrophobicContact CB-CB 3.84Å; F208-N214 HydrophobicContact CD2-CB 3.94Å; F208-N214 WeakPolarHBondContact CD2-OD1 3.33Å; F208-N214 HydrophobicContact CG-CB 4.35Å; L212-N214 PolarHBondContact O-N 3.05Å
215	N	97.9	Very high	98.4	Very high	42 Å²	42	47.2 Å²	47.2	23%	0.225	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-15.2	-179.6	-62.9	-58.2	0	0	0	114	Y192 P194 R203 D213	Y192-N215 VanDerWaalsContact CE1-OD1 3.24Å; Y192-N215 WeakPolarHBondContact CE1-OD1 3.13Å; Y192-N215 VanDerWaalsContact CZ-OD1 3.29Å; Y192-N215 PolarHBondContact OH-OD1 2.89Å; P194-N215 HydrophobicContact CB-CB 4.43Å; P194-N215 WeakPolarHBondContact CB-OD1 3.42Å; R203-N215 PolarHBondContact NH1-O 3.31Å; D213-N215 PolarHBondContact O-N 3.48Å; D213-N215 WeakPolarHBondContact OD1-CB 3.45Å; D213-N215 PolarHBondContact OD1-N 3.1Å
216	A	97.6	Very high	98.3	Very high	23 Å²	23	47.2 Å²	47.2	19%	0.19	26%	0.257	C	S	.	.	S	Bend	trans	-52.6	147.8	179.2	0	0	0	0	0	111.4	D213 F299	D213-A216 HydrophobicContact CB-CB 4.32Å; D213-A216 PolarHBondContact OD2-N 3.38Å; A216-F299 HydrophobicContact CB-CE2 4.06Å; A216-F299 HydrophobicContact CB-CZ 4.44Å; A216-F299 WeakPolarHBondContact O-CE2 3.49Å
217	N	96.7	Very high	98.3	Very high	137 Å²	137	48.3 Å²	48.3	73%	0.733	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-69.9	134.6	171.2	-71.2	-27.5	0	0	0	109	S219	N217-S219 PolarHBondContact O-N 2.74Å
218	F	98.3	Very high	98.3	Very high	95 Å²	95	51 Å²	51	42%	0.417	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-62.3	129.4	178.9	-178.1	-91.6	0	0	0	110.1	A223 A298 F299 Y302	F218-A223 HydrophobicContact CE2-CB 3.73Å; F218-A223 HydrophobicContact CZ-CB 3.99Å; F218-A298 HydrophobicContact CB-CB 4.02Å; F218-A298 HydrophobicContact CD2-CB 3.63Å; F218-A298 HydrophobicContact CE2-CB 4.26Å; F218-A298 HydrophobicContact CG-CB 3.82Å; F218-F299 HydrophobicContact CB-CZ 4.45Å; F218-F299 AromaticContact CD2-CD1 3.63Å; F218-F299 HydrophobicContact CD2-CD1 3.63Å; F218-F299 HydrophobicContact CD2-CD2 4.47Å; F218-F299 AromaticContact CD2-CE1 3.73Å; F218-F299 HydrophobicContact CD2-CE1 3.73Å; F218-F299 HydrophobicContact CD2-CG 4.02Å; F218-F299 HydrophobicContact CD2-CZ 4.22Å; F218-F299 AromaticContact CE2-CD1 3.97Å; F218-F299 HydrophobicContact CE2-CD1 3.97Å; F218-F299 HydrophobicContact CE2-CE1 4.22Å; F218-Y302 HydrophobicContact CE2-CG 4.48Å; F218-Y302 HydrophobicContact CZ-CD2 4.25Å
219	S	98.4	Very high	98.3	Very high	44 Å²	44	52.9 Å²	52.9	31%	0.308	29%	0.287	S	S	.	.			trans	-139.8	147.4	162.6	69.3	0	0	0	0	108.3	N217 A221 L222 A223	N217-S219 PolarHBondContact O-N 2.74Å; S219-A221 PolarHBondContact O-N 3.42Å; S219-L222 PolarHBondContact O-N 3.46Å; S219-L222 WeakPolarHBondContact OG-CB 3.04Å; S219-L222 VanDerWaalsContact OG-CG 3.3Å; S219-L222 WeakPolarHBondContact OG-CG 3.49Å; S219-L222 PolarHBondContact OG-N 3.29Å; S219-A223 WeakPolarHBondContact O-CB 3.25Å; S219-A223 PolarHBondContact O-N 3.16Å
220	L	98.4	Very high	98.3	Very high	81 Å²	81	52.9 Å²	52.9	42%	0.424	29%	0.287	S	S	.	.	H	α-helix	trans	-60.3	-33.8	178.8	-177.6	60	0	0	0	111.7	A223 R224 Y302	L220-A223 PolarHBondContact O-N 3.32Å; L220-R224 HydrophobicContact CD1-CG 4.31Å; L220-R224 WeakPolarHBondContact O-CB 3.37Å; L220-R224 VanDerWaalsContact O-CG 3.31Å; L220-R224 WeakPolarHBondContact O-CG 3.4Å; L220-R224 PolarHBondContact O-N 3.4Å; L220-Y302 HydrophobicContact CD1-CD2 4.39Å; L220-Y302 HydrophobicContact CD1-CE2 3.62Å
221	A	98.5	Very high	98.2	Very high	65 Å²	65	58.3 Å²	58.3	54%	0.537	31%	0.307	S	S	.	.	H	α-helix	trans	-62.2	-50.2	175.9	0	0	0	0	0	111.8	S219 A223 R224 L225	S219-A221 PolarHBondContact O-N 3.42Å; A221-A223 VanDerWaalsContact C-N 3.33Å; A221-A223 PolarHBondContact O-N 3.06Å; A221-R224 PolarHBondContact O-N 2.84Å; A221-L225 WeakPolarHBondContact O-CG 3.31Å; A221-L225 PolarHBondContact O-N 2.88Å
222	L	98.4	Very high	98.2	Very high	77 Å²	77	66.9 Å²	66.9	40%	0.403	33%	0.332	S	S	.	.	H	α-helix	trans	-64.7	-38.1	176.8	-69.7	178.4	0	0	0	112.1	S219 L225 G226 F299	S219-L222 PolarHBondContact O-N 3.46Å; S219-L222 WeakPolarHBondContact OG-CB 3.04Å; S219-L222 VanDerWaalsContact OG-CG 3.3Å; S219-L222 WeakPolarHBondContact OG-CG 3.49Å; S219-L222 PolarHBondContact OG-N 3.29Å; L222-L225 HydrophobicContact CD2-CD1 4.41Å; L222-L225 PolarHBondContact O-N 2.92Å; L222-G226 PolarHBondContact O-N 3.41Å; L222-F299 HydrophobicContact CB-CE1 4.05Å; L222-F299 HydrophobicContact CB-CZ 4.11Å; L222-F299 HydrophobicContact CD1-CZ 4.48Å
223	A	98.6	Very high	98.2	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-61	-46	177.5	0	0	0	0	0	111.6	F218 S219 L220 A221 G226 E227 F299 Y302	F218-A223 HydrophobicContact CE2-CB 3.73Å; F218-A223 HydrophobicContact CZ-CB 3.99Å; S219-A223 WeakPolarHBondContact O-CB 3.25Å; S219-A223 PolarHBondContact O-N 3.16Å; L220-A223 PolarHBondContact O-N 3.32Å; A221-A223 VanDerWaalsContact C-N 3.33Å; A221-A223 PolarHBondContact O-N 3.06Å; A223-G226 PolarHBondContact O-N 3.43Å; A223-E227 WeakPolarHBondContact O-CB 3.38Å; A223-E227 PolarHBondContact O-N 3.39Å; A223-F299 HydrophobicContact CB-CD1 4.16Å; A223-F299 HydrophobicContact CB-CE1 4.13Å; A223-Y302 HydrophobicContact CB-CD1 3.78Å; A223-Y302 HydrophobicContact CB-CD2 4Å; A223-Y302 HydrophobicContact CB-CE1 3.99Å; A223-Y302 HydrophobicContact CB-CE2 4.17Å; A223-Y302 HydrophobicContact CB-CG 3.81Å
224	R	98.6	Very high	98.2	Very high	140 Å²	140	62.3 Å²	62.3	53%	0.528	31%	0.307	S	S	.	.	H	α-helix	trans	-63.8	-41.7	175.5	-75.1	175.2	175.9	174.3	-1.7	112.7	L220 A221 G226 E227 D228 Y302	L220-R224 HydrophobicContact CD1-CG 4.31Å; L220-R224 WeakPolarHBondContact O-CB 3.37Å; L220-R224 VanDerWaalsContact O-CG 3.31Å; L220-R224 WeakPolarHBondContact O-CG 3.4Å; L220-R224 PolarHBondContact O-N 3.4Å; A221-R224 PolarHBondContact O-N 2.84Å; R224-G226 VanDerWaalsContact C-N 3.33Å; R224-G226 PolarHBondContact O-N 3.41Å; R224-E227 WeakPolarHBondContact O-CB 3.23Å; R224-E227 PolarHBondContact O-N 3.04Å; R224-D228 WeakPolarHBondContact O-CB 3.48Å; R224-D228 PolarHBondContact O-N 3.35Å; R224-Y302 WeakPolarHBondContact CG-OH 3.47Å
225	L	98.3	Very high	98.2	Very high	113 Å²	113	68.4 Å²	68.4	59%	0.592	33%	0.334	S	S	*	.	H	α-helix	trans	-61.1	-42.3	176.4	-72.2	172.2	0	0	0	112.2	A221 L222 M229	A221-L225 WeakPolarHBondContact O-CG 3.31Å; A221-L225 PolarHBondContact O-N 2.88Å; L222-L225 HydrophobicContact CD2-CD1 4.41Å; L222-L225 PolarHBondContact O-N 2.92Å; L225-M229 WeakPolarHBondContact O-CB 3.19Å; L225-M229 PolarHBondContact O-N 3.39Å
226	G	98.4	Very high	98.2	Very high	3 Å²	3	67.4 Å²	67.4	3%	0.031	33%	0.328	C	S	.	.	H	α-helix	trans	-68.2	-40.6	175.3	0	0	0	0	0	112.7	L222 A223 R224 M229 I230	L222-G226 PolarHBondContact O-N 3.41Å; A223-G226 PolarHBondContact O-N 3.43Å; R224-G226 VanDerWaalsContact C-N 3.33Å; R224-G226 PolarHBondContact O-N 3.41Å; G226-M229 PolarHBondContact O-N 3.39Å; G226-I230 VanDerWaalsContact O-CG1 3.27Å; G226-I230 WeakPolarHBondContact O-CG1 3.45Å; G226-I230 PolarHBondContact O-N 2.93Å
227	E	98.5	Very high	98.2	Very high	22 Å²	22	66.9 Å²	66.9	10%	0.103	32%	0.322	C	S	.	.	H	α-helix	trans	-57.5	-50.2	172.5	-176.6	-165.8	158.4	0	0	111.8	A223 R224 M229 I230 R231 Y302 T306 F307	A223-E227 WeakPolarHBondContact O-CB 3.38Å; A223-E227 PolarHBondContact O-N 3.39Å; R224-E227 WeakPolarHBondContact O-CB 3.23Å; R224-E227 PolarHBondContact O-N 3.04Å; E227-M229 VanDerWaalsContact C-N 3.3Å; E227-M229 PolarHBondContact O-N 2.92Å; E227-I230 PolarHBondContact O-N 3.12Å; E227-I230 VanDerWaalsContact O-N 3.11Å; E227-R231 HydrophobicContact CG-CG 4.36Å; E227-R231 WeakPolarHBondContact O-CB 3.41Å; E227-R231 PolarHBondContact O-N 3.28Å; E227-R231 IonicContact OE1-CZ 3.46Å; E227-R231 IonicContact OE1-NE 2.57Å; E227-R231 PolarHBondContact OE1-NE 3.04Å; E227-R231 IonicContact OE1-NH2 2.93Å; E227-Y302 HydrophobicContact CB-CE1 4.05Å; E227-Y302 HydrophobicContact CG-CE1 4.47Å; E227-Y302 WeakPolarHBondContact OE2-CE1 3.47Å; E227-Y302 PolarHBondContact OE2-OH 3.3Å; E227-T306 HydrophobicContact CG-CG2 3.91Å; E227-T306 WeakPolarHBondContact OE1-CG2 3.47Å; E227-F307 HydrophobicContact CG-CZ 4.45Å
228	D	98.4	Very high	98.3	Very high	66 Å²	66	60.4 Å²	60.4	35%	0.353	29%	0.288	S	S	.	.	H	α-helix	trans	-60.2	-41.7	-180	-78.1	-16.3	0	0	0	111.4	R224 I230 R231 R232	R224-D228 WeakPolarHBondContact O-CB 3.48Å; R224-D228 PolarHBondContact O-N 3.35Å; D228-I230 VanDerWaalsContact C-N 3.35Å; D228-I230 PolarHBondContact O-N 3.15Å; D228-R231 PolarHBondContact O-N 2.9Å; D228-R232 WeakPolarHBondContact O-CB 3.46Å; D228-R232 WeakPolarHBondContact O-CG 3.4Å; D228-R232 PolarHBondContact O-N 3.06Å
229	M	98.2	Very high	98.3	Very high	51 Å²	51	55.9 Å²	55.9	25%	0.251	27%	0.268	S	S	.	.	H	α-helix	trans	-59.4	-46.3	174.4	179.1	-79.7	-68.8	0	0	111.2	F135 F210 L212 L225 G226 E227 T233	F135-M229 HydrophobicContact CE1-SD 4.38Å; F210-M229 HydrophobicContact CB-CE 4.45Å; L212-M229 HydrophobicContact CD1-CE 3.9Å; L212-M229 HydrophobicContact CD2-CE 3.88Å; L212-M229 HydrophobicContact CG-CE 3.95Å; L225-M229 WeakPolarHBondContact O-CB 3.19Å; L225-M229 PolarHBondContact O-N 3.39Å; G226-M229 PolarHBondContact O-N 3.39Å; E227-M229 VanDerWaalsContact C-N 3.3Å; E227-M229 PolarHBondContact O-N 2.92Å; M229-T233 VanDerWaalsContact O-CB 3.29Å; M229-T233 WeakPolarHBondContact O-CB 3.26Å; M229-T233 PolarHBondContact O-N 3.43Å; M229-T233 PolarHBondContact O-OG1 3.36Å
230	I	98.6	Very high	98.3	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-66	-48.4	-180	-65.8	166.4	0	0	0	110.1	F210 G226 E227 D228 R232 T233 F234 I237 L303 F307	F210-I230 HydrophobicContact CB-CD1 4.15Å; F210-I230 HydrophobicContact CB-CG1 4.44Å; F210-I230 HydrophobicContact CD1-CD1 3.8Å; F210-I230 HydrophobicContact CD1-CG1 3.69Å; F210-I230 HydrophobicContact CD1-CG2 4.42Å; F210-I230 HydrophobicContact CD2-CD1 3.73Å; F210-I230 HydrophobicContact CE1-CD1 4.08Å; F210-I230 HydrophobicContact CE1-CG1 4.01Å; F210-I230 HydrophobicContact CE1-CG2 3.88Å; F210-I230 HydrophobicContact CE2-CD1 4.05Å; F210-I230 HydrophobicContact CG-CD1 3.63Å; F210-I230 HydrophobicContact CG-CG1 3.99Å; F210-I230 HydrophobicContact CZ-CD1 4.21Å; F210-I230 HydrophobicContact CZ-CG2 4.22Å; G226-I230 VanDerWaalsContact O-CG1 3.27Å; G226-I230 WeakPolarHBondContact O-CG1 3.45Å; G226-I230 PolarHBondContact O-N 2.93Å; E227-I230 PolarHBondContact O-N 3.12Å; E227-I230 VanDerWaalsContact O-N 3.11Å; D228-I230 VanDerWaalsContact C-N 3.35Å; D228-I230 PolarHBondContact O-N 3.15Å; I230-R232 VanDerWaalsContact C-N 3.33Å; I230-R232 PolarHBondContact O-N 3.04Å; I230-T233 PolarHBondContact O-N 2.95Å; I230-T233 VanDerWaalsContact O-N 3.1Å; I230-F234 HydrophobicContact CB-CD2 4.35Å; I230-F234 HydrophobicContact CG2-CD2 3.8Å; I230-F234 WeakPolarHBondContact O-CD2 3.5Å; I230-F234 PolarHBondContact O-N 3.03Å; I230-I237 HydrophobicContact CG2-CD1 3.87Å; I230-I237 HydrophobicContact CG2-CG1 4.31Å; I230-L303 HydrophobicContact CD1-CD1 3.86Å; I230-L303 HydrophobicContact CD1-CD2 3.65Å; I230-L303 HydrophobicContact CD1-CG 4.44Å; I230-F307 HydrophobicContact CB-CE2 4.18Å; I230-F307 HydrophobicContact CB-CZ 3.86Å; I230-F307 HydrophobicContact CD1-CE2 4.36Å; I230-F307 HydrophobicContact CG2-CE1 4.16Å; I230-F307 HydrophobicContact CG2-CE2 3.71Å; I230-F307 HydrophobicContact CG2-CZ 3.36Å
231	R	97.8	Very high	98.3	Very high	116 Å²	116	54.3 Å²	54.3	44%	0.438	26%	0.256	S	S	.	.	H	α-helix	trans	-58.4	-40.7	179.2	-79.1	-177	169.6	-86.2	7	113.2	E227 D228 T233 F307	E227-R231 HydrophobicContact CG-CG 4.36Å; E227-R231 WeakPolarHBondContact O-CB 3.41Å; E227-R231 PolarHBondContact O-N 3.28Å; E227-R231 IonicContact OE1-CZ 3.46Å; E227-R231 IonicContact OE1-NE 2.57Å; E227-R231 PolarHBondContact OE1-NE 3.04Å; E227-R231 IonicContact OE1-NH2 2.93Å; D228-R231 PolarHBondContact O-N 2.9Å; R231-T233 VanDerWaalsContact C-N 3.29Å; R231-T233 PolarHBondContact O-N 3.08Å; R231-F307 HydrophobicContact CG-CE1 3.93Å; R231-F307 HydrophobicContact CG-CZ 3.94Å
232	R	97.9	Very high	98.2	Very high	205 Å²	205	54.4 Å²	54.4	77%	0.774	24%	0.242	S	C	*	.	H	α-helix	trans	-72.7	-24	178.9	-70.3	174.9	-168.4	-169.1	5.5	112.8	D228 I230	D228-R232 WeakPolarHBondContact O-CB 3.46Å; D228-R232 WeakPolarHBondContact O-CG 3.4Å; D228-R232 PolarHBondContact O-N 3.06Å; I230-R232 VanDerWaalsContact C-N 3.33Å; I230-R232 PolarHBondContact O-N 3.04Å
233	T	98.3	Very high	98.2	Very high	15 Å²	15	51.8 Å²	51.8	9%	0.092	23%	0.228	C	C	.	.	H	α-helix	trans	-97.4	-46.4	-173.1	-56.5	0	0	0	0	112.3	F135 K137 Y150 M229 I230 R231	F135-T233 HydrophobicContact CE1-CG2 3.88Å; F135-T233 HydrophobicContact CZ-CG2 3.61Å; K137-T233 HydrophobicContact CD-CG2 4.06Å; K137-T233 HydrophobicContact CG-CG2 4.31Å; Y150-T233 WeakPolarHBondContact CB-O 3.29Å; Y150-T233 HydrophobicContact CD1-CG2 4.17Å; M229-T233 VanDerWaalsContact O-CB 3.29Å; M229-T233 WeakPolarHBondContact O-CB 3.26Å; M229-T233 PolarHBondContact O-N 3.43Å; M229-T233 PolarHBondContact O-OG1 3.36Å; I230-T233 PolarHBondContact O-N 2.95Å; I230-T233 VanDerWaalsContact O-N 3.1Å; R231-T233 VanDerWaalsContact C-N 3.29Å; R231-T233 PolarHBondContact O-N 3.08Å
234	F	98.6	Very high	98.2	Very high	10 Å²	10	52.5 Å²	52.5	4%	0.044	23%	0.232	C	C	.	.			trans	-100.9	118.3	-172.5	-62.2	-85.2	0	0	0	110.2	M69 L71 F135 Y150 F210 I230 L236 I237	M69-F234 HydrophobicContact SD-CE1 4.13Å; L71-F234 HydrophobicContact CB-CE1 3.54Å; L71-F234 HydrophobicContact CB-CZ 3.86Å; L71-F234 HydrophobicContact CD2-CE1 4.16Å; L71-F234 HydrophobicContact CD2-CE2 4.38Å; L71-F234 HydrophobicContact CD2-CZ 3.62Å; L71-F234 HydrophobicContact CG-CZ 4.38Å; F135-F234 HydrophobicContact CD1-CE2 4.3Å; F135-F234 HydrophobicContact CD1-CZ 4.1Å; F135-F234 HydrophobicContact CD2-CZ 4.2Å; F135-F234 AromaticContact CE1-CE2 3.98Å; F135-F234 HydrophobicContact CE1-CE2 3.98Å; F135-F234 AromaticContact CE1-CZ 3.87Å; F135-F234 HydrophobicContact CE1-CZ 3.87Å; F135-F234 AromaticContact CE2-CZ 3.98Å; F135-F234 HydrophobicContact CE2-CZ 3.98Å; F135-F234 HydrophobicContact CG-CZ 4.26Å; F135-F234 HydrophobicContact CZ-CE2 4.27Å; F135-F234 AromaticContact CZ-CZ 3.82Å; F135-F234 HydrophobicContact CZ-CZ 3.82Å; Y150-F234 HydrophobicContact CD1-CE1 4.48Å; Y150-F234 CarbonylContact O-C 3.28Å; Y150-F234 WeakPolarHBondContact O-CA 3.49Å; F210-F234 HydrophobicContact CD1-CD2 4.42Å; F210-F234 AromaticContact CD1-CE2 3.76Å; F210-F234 HydrophobicContact CD1-CE2 3.76Å; F210-F234 HydrophobicContact CD1-CZ 4.16Å; F210-F234 HydrophobicContact CE1-CD2 4.01Å; F210-F234 AromaticContact CE1-CE2 3.73Å; F210-F234 HydrophobicContact CE1-CE2 3.73Å; F210-F234 HydrophobicContact CE1-CZ 4.09Å; I230-F234 HydrophobicContact CB-CD2 4.35Å; I230-F234 HydrophobicContact CG2-CD2 3.8Å; I230-F234 WeakPolarHBondContact O-CD2 3.5Å; I230-F234 PolarHBondContact O-N 3.03Å; F234-L236 VanDerWaalsContact C-N 3.26Å; F234-L236 PolarHBondContact O-N 3.28Å; F234-I237 HydrophobicContact CB-CD1 3.62Å; F234-I237 HydrophobicContact CB-CG1 4.42Å; F234-I237 HydrophobicContact CG-CD1 4.04Å
235	K	97.2	Very high	98.2	Very high	132 Å²	132	48 Å²	48	57%	0.574	22%	0.217	S	C	*	.	S	Bend	trans	-69.6	-25	179.4	-66.2	178.4	177.5	174.9	0	112.4	F149 Y150	F149-K235 HydrophobicContact CD2-CB 4.29Å; F149-K235 HydrophobicContact CD2-CD 3.46Å; F149-K235 VanDerWaalsContact CD2-CD 3.46Å; F149-K235 HydrophobicContact CD2-CG 4.49Å; F149-K235 HydrophobicContact CE1-CB 4.42Å; F149-K235 HydrophobicContact CE2-CB 3.68Å; F149-K235 HydrophobicContact CE2-CD 3.6Å; F149-K235 HydrophobicContact CE2-CG 4.28Å; F149-K235 HydrophobicContact CG-CD 4.19Å; F149-K235 HydrophobicContact CZ-CB 3.74Å; F149-K235 HydrophobicContact CZ-CD 4.44Å; Y150-K235 PolarHBondContact O-N 3.43Å
236	L	98.2	Very high	98.3	Very high	20 Å²	20	42.6 Å²	42.6	11%	0.105	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	135	179.5	-177.7	61.1	0	0	0	110.7	F149 F151 S152 F234 L238 L249 L250 A253	F149-L236 HydrophobicContact CE1-CB 4.27Å; F149-L236 HydrophobicContact CZ-CB 4.07Å; F151-L236 WeakPolarHBondContact CA-O 3.36Å; F151-L236 HydrophobicContact CB-CB 4.09Å; F151-L236 VanDerWaalsContact CB-O 3.25Å; F151-L236 WeakPolarHBondContact CB-O 3.02Å; S152-L236 PolarHBondContact N-O 3.39Å; S152-L236 VanDerWaalsContact N-O 3.11Å; F234-L236 VanDerWaalsContact C-N 3.26Å; F234-L236 PolarHBondContact O-N 3.28Å; L236-L238 HydrophobicContact CD1-CD2 4.4Å; L236-L238 HydrophobicContact CD2-CD2 3.58Å; L236-L238 HydrophobicContact CG-CD2 3.75Å; L236-L249 HydrophobicContact CD1-CB 4.47Å; L236-L249 HydrophobicContact CD2-CB 4.38Å; L236-L250 HydrophobicContact CD2-CB 4.24Å; L236-L250 HydrophobicContact CD2-CD1 3.96Å; L236-A253 HydrophobicContact CD2-CB 4.03Å
237	I	98.6	Very high	98.3	Very high	13 Å²	13	42.5 Å²	42.5	7%	0.067	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	114.1	171	-58.8	-63.6	0	0	0	108.1	I154 F210 I230 F234 F307	I154-I237 HydrophobicContact CB-CG2 4.43Å; I154-I237 HydrophobicContact CD1-CG2 4.06Å; I154-I237 HydrophobicContact CG1-CG2 3.82Å; I154-I237 HydrophobicContact CG2-CG2 3.88Å; F210-I237 HydrophobicContact CE1-CD1 4.45Å; F210-I237 HydrophobicContact CZ-CD1 4.28Å; I230-I237 HydrophobicContact CG2-CD1 3.87Å; I230-I237 HydrophobicContact CG2-CG1 4.31Å; F234-I237 HydrophobicContact CB-CD1 3.62Å; F234-I237 HydrophobicContact CB-CG1 4.42Å; F234-I237 HydrophobicContact CG-CD1 4.04Å; I237-F307 HydrophobicContact CB-CB 4.46Å; I237-F307 HydrophobicContact CB-CD1 3.94Å; I237-F307 HydrophobicContact CB-CG 4.28Å; I237-F307 HydrophobicContact CG1-CD1 3.7Å; I237-F307 HydrophobicContact CG1-CE1 3.78Å; I237-F307 HydrophobicContact CG1-CG 4.25Å; I237-F307 HydrophobicContact CG1-CZ 4.4Å; I237-F307 HydrophobicContact CG2-CB 3.97Å; I237-F307 HydrophobicContact CG2-CD1 4.23Å; I237-F307 HydrophobicContact CG2-CG 4.05Å
238	L	98.8	Very high	98.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	155.4	178.6	-52.2	179	0	0	0	110.9	F151 S152 I153 I154 L236 S246 M247 L250	F151-L238 HydrophobicContact CD2-CD1 3.92Å; F151-L238 HydrophobicContact CD2-CG 4.25Å; F151-L238 HydrophobicContact CE2-CD1 3.82Å; S152-L238 WeakPolarHBondContact O-CG 3.43Å; S152-L238 PolarHBondContact O-N 2.93Å; I153-L238 CarbonylContact C-O 3.59Å; I153-L238 WeakPolarHBondContact CA-O 3.38Å; I153-L238 HydrophobicContact CB-CB 3.89Å; I153-L238 HydrophobicContact CB-CD1 4.47Å; I153-L238 HydrophobicContact CD1-CB 4.02Å; I153-L238 HydrophobicContact CD1-CD1 4.48Å; I153-L238 HydrophobicContact CG1-CB 3.78Å; I154-L238 WeakPolarHBondContact CG1-O 3.37Å; I154-L238 PolarHBondContact N-O 3.38Å; L236-L238 HydrophobicContact CD1-CD2 4.4Å; L236-L238 HydrophobicContact CD2-CD2 3.58Å; L236-L238 HydrophobicContact CG-CD2 3.75Å; L238-S246 WeakPolarHBondContact CD2-O 3.26Å; L238-M247 HydrophobicContact CD1-CE 3.74Å; L238-L250 HydrophobicContact CD1-CD2 4.15Å; L238-L250 HydrophobicContact CD2-CB 4.21Å
239	V	98.7	Very high	98.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	120.1	178	-177.1	0	0	0	0	109.9	I154 E241 Y242 F243 S246 Y304 F311	I154-V239 HydrophobicContact CD1-CG2 4.5Å; I154-V239 HydrophobicContact CG1-CG2 4.27Å; V239-E241 HydrophobicContact CG1-CB 4.41Å; V239-E241 WeakPolarHBondContact CG1-OE2 3.24Å; V239-E241 PolarHBondContact O-N 3.04Å; V239-Y242 HydrophobicContact CB-CD2 4.02Å; V239-Y242 HydrophobicContact CG1-CD2 3.65Å; V239-Y242 HydrophobicContact CG1-CE2 4.13Å; V239-Y242 CarbonylContact O-C 3.48Å; V239-Y242 VanDerWaalsContact O-C 3.28Å; V239-Y242 PolarHBondContact O-N 3.46Å; V239-F243 PolarHBondContact O-N 2.87Å; V239-S246 PolarHBondContact N-OG 3.02Å; V239-S246 PolarHBondContact O-OG 2.98Å; V239-S246 VanDerWaalsContact O-OG 3.1Å; V239-Y304 HydrophobicContact CG1-CE2 4.27Å; V239-F311 HydrophobicContact CB-CD1 4.47Å; V239-F311 HydrophobicContact CB-CD2 4.33Å; V239-F311 HydrophobicContact CB-CE2 4.47Å; V239-F311 HydrophobicContact CB-CG 4.32Å; V239-F311 HydrophobicContact CG2-CB 3.8Å; V239-F311 HydrophobicContact CG2-CD1 4.16Å; V239-F311 HydrophobicContact CG2-CD2 3.83Å; V239-F311 HydrophobicContact CG2-CE2 4.45Å; V239-F311 HydrophobicContact CG2-CG 3.66Å
240	S	97.8	Very high	98.3	Very high	19 Å²	19	36.5 Å²	36.5	13%	0.133	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-59.8	-31.7	-172.8	-60.3	0	0	0	0	113.9	T76 I154 Y242 F243	T76-S240 VanDerWaalsContact C-OG 3.28Å; T76-S240 WeakPolarHBondContact CA-OG 3.47Å; T76-S240 PolarHBondContact O-OG 2.86Å; I154-S240 WeakPolarHBondContact O-CB 3.47Å; I154-S240 PolarHBondContact O-N 2.86Å; I154-S240 PolarHBondContact O-OG 3.38Å; S240-Y242 VanDerWaalsContact C-N 3.27Å; S240-F243 WeakPolarHBondContact O-CB 3.4Å
241	E	97.1	Very high	98.3	Very high	74 Å²	74	36.5 Å²	36.5	35%	0.346	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-71.9	-25.3	-179.9	-63.2	91.9	129.8	0	0	112.3	R155 D156 V239 Y304	R155-E241 WeakPolarHBondContact CA-OE2 3.18Å; D156-E241 WeakPolarHBondContact CA-OE1 3.47Å; D156-E241 WeakPolarHBondContact CB-OE1 3.32Å; D156-E241 PolarHBondContact N-OE1 2.9Å; V239-E241 HydrophobicContact CG1-CB 4.41Å; V239-E241 WeakPolarHBondContact CG1-OE2 3.24Å; V239-E241 PolarHBondContact O-N 3.04Å; E241-Y304 WeakPolarHBondContact OE1-CE2 3.29Å; E241-Y304 VanDerWaalsContact OE1-CZ 3.29Å; E241-Y304 PolarHBondContact OE1-OH 3.39Å
242	Y	98.1	Very high	98.2	Very high	66 Å²	66	33.4 Å²	33.4	26%	0.259	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-114.6	47.2	177.9	-50.6	-64.5	0	0	0	109.4	V239 S240 D244 Q245 S246 F311 W312	V239-Y242 HydrophobicContact CB-CD2 4.02Å; V239-Y242 HydrophobicContact CG1-CD2 3.65Å; V239-Y242 HydrophobicContact CG1-CE2 4.13Å; V239-Y242 CarbonylContact O-C 3.48Å; V239-Y242 VanDerWaalsContact O-C 3.28Å; V239-Y242 PolarHBondContact O-N 3.46Å; S240-Y242 VanDerWaalsContact C-N 3.27Å; Y242-D244 PolarHBondContact O-N 3.03Å; Y242-Q245 PolarHBondContact O-N 2.92Å; Y242-Q245 PolarHBondContact O-OE1 3.37Å; Y242-S246 WeakPolarHBondContact O-CB 3.39Å; Y242-S246 PolarHBondContact O-N 3.32Å; Y242-S246 PolarHBondContact O-OG 3.47Å; Y242-F311 VanDerWaalsContact CB-CE1 3.48Å; Y242-F311 AromaticContact CD2-CD1 3.97Å; Y242-F311 HydrophobicContact CD2-CD1 3.97Å; Y242-F311 AromaticContact CD2-CE1 3.58Å; Y242-F311 HydrophobicContact CD2-CE1 3.58Å; Y242-F311 HydrophobicContact CD2-CZ 4.39Å; Y242-F311 AromaticContact CG-CE1 3.74Å; Y242-F311 HydrophobicContact CG-CE1 3.74Å; Y242-F311 HydrophobicContact CG-CZ 4.32Å; Y242-W312 HydrophobicContact CD1-CH2 4.4Å; Y242-W312 AromaticContact CD1-CZ2 3.94Å; Y242-W312 HydrophobicContact CD1-CZ2 3.94Å; Y242-W312 HydrophobicContact CD2-CZ2 4.28Å; Y242-W312 HydrophobicContact CE1-CH2 4.24Å; Y242-W312 AromaticContact CE1-CZ2 3.51Å; Y242-W312 HydrophobicContact CE1-CZ2 3.51Å; Y242-W312 AromaticContact CE2-CZ2 3.89Å; Y242-W312 HydrophobicContact CE2-CZ2 3.89Å; Y242-W312 AromaticContact CE2-NE1 3.69Å; Y242-W312 HydrophobicContact CG-CZ2 4.31Å; Y242-W312 AromaticContact CZ-CE2 3.99Å; Y242-W312 AromaticContact CZ-CZ2 3.48Å; Y242-W312 VanDerWaalsContact CZ-CZ2 3.48Å; Y242-W312 AromaticContact CZ-NE1 3.91Å
243	F	98.3	Very high	98.2	Very high	22 Å²	22	25.1 Å²	25.1	10%	0.096	12%	0.122	C	C	.	.	H	α-helix	trans	-61.9	-40.9	-168.9	-161	-81.9	0	0	0	112.7	A77 T80 V81 I153 V239 S240 S246 M247 F263	A77-F243 HydrophobicContact CB-CD2 4Å; A77-F243 HydrophobicContact CB-CE2 3.67Å; T80-F243 HydrophobicContact CG2-CE1 4.06Å; T80-F243 HydrophobicContact CG2-CZ 3.76Å; V81-F243 HydrophobicContact CG2-CE2 3.97Å; V81-F243 HydrophobicContact CG2-CZ 3.76Å; I153-F243 HydrophobicContact CD1-CD2 4.1Å; I153-F243 HydrophobicContact CD1-CE2 3.85Å; V239-F243 PolarHBondContact O-N 2.87Å; S240-F243 WeakPolarHBondContact O-CB 3.4Å; F243-S246 WeakPolarHBondContact O-CB 3.34Å; F243-S246 PolarHBondContact O-N 3.44Å; F243-M247 HydrophobicContact CD1-CE 4.34Å; F243-M247 HydrophobicContact CD1-CG 3.79Å; F243-M247 HydrophobicContact CD1-SD 4.38Å; F243-M247 HydrophobicContact CE1-CE 3.89Å; F243-M247 HydrophobicContact CE1-CG 3.62Å; F243-M247 HydrophobicContact CE1-SD 3.69Å; F243-M247 HydrophobicContact CE2-CE 4.47Å; F243-M247 HydrophobicContact CZ-CE 3.97Å; F243-M247 HydrophobicContact CZ-SD 4.12Å; F243-M247 WeakPolarHBondContact O-CG 3.22Å; F243-M247 PolarHBondContact O-N 3.02Å; F243-F263 HydrophobicContact CD1-CD1 4.23Å; F243-F263 HydrophobicContact CD1-CD2 4.34Å; F243-F263 AromaticContact CD1-CE1 3.5Å; F243-F263 HydrophobicContact CD1-CE1 3.5Å; F243-F263 AromaticContact CD1-CE2 3.62Å; F243-F263 HydrophobicContact CD1-CE2 3.62Å; F243-F263 AromaticContact CD1-CZ 3.13Å; F243-F263 HydrophobicContact CD1-CZ 3.13Å; F243-F263 AromaticContact CE1-CD1 3.78Å; F243-F263 HydrophobicContact CE1-CD1 3.78Å; F243-F263 AromaticContact CE1-CD2 3.82Å; F243-F263 HydrophobicContact CE1-CD2 3.82Å; F243-F263 AromaticContact CE1-CE1 3.54Å; F243-F263 HydrophobicContact CE1-CE1 3.54Å; F243-F263 AromaticContact CE1-CE2 3.56Å; F243-F263 HydrophobicContact CE1-CE2 3.56Å; F243-F263 AromaticContact CE1-CG 3.91Å; F243-F263 HydrophobicContact CE1-CG 3.91Å; F243-F263 AromaticContact CE1-CZ 3.41Å; F243-F263 HydrophobicContact CE1-CZ 3.41Å; F243-F263 VanDerWaalsContact CE1-CZ 3.41Å; F243-F263 HydrophobicContact CG-CZ 4.27Å
244	D	98.6	Very high	98.2	Very high	16 Å²	16	24.4 Å²	24.4	9%	0.086	12%	0.118	C	C	.	.	H	α-helix	trans	-64.2	-46.1	179	-69.8	-21.8	0	0	0	110.8	Y242 S246 M247 I248 F263 V327 L330 R331 R334	Y242-D244 PolarHBondContact O-N 3.03Å; D244-S246 VanDerWaalsContact C-N 3.31Å; D244-S246 PolarHBondContact O-N 3.05Å; D244-M247 PolarHBondContact O-N 3.49Å; D244-I248 PolarHBondContact O-N 3.45Å; D244-I248 VanDerWaalsContact O-N 3.13Å; D244-F263 WeakPolarHBondContact OD1-CZ 3.38Å; D244-V327 HydrophobicContact CB-CG1 3.96Å; D244-V327 HydrophobicContact CB-CG2 4.31Å; D244-L330 HydrophobicContact CB-CD2 4.23Å; D244-R331 IonicContact OD2-CZ 3.66Å; D244-R331 VanDerWaalsContact OD2-CZ 3.27Å; D244-R331 IonicContact OD2-NE 3.91Å; D244-R331 PolarHBondContact OD2-NE 3.35Å; D244-R331 IonicContact OD2-NH2 2.97Å; D244-R331 PolarHBondContact OD2-NH2 2.98Å; D244-R334 IonicContact OD1-CZ 2.85Å; D244-R334 IonicContact OD1-NH1 3.61Å; D244-R334 PolarHBondContact OD1-NH1 3.15Å; D244-R334 IonicContact OD1-NH2 3.96Å; D244-R334 IonicContact OD2-NH2 3.14Å; D244-R334 PolarHBondContact OD2-NH2 3.03Å
245	Q	98.8	Very high	98.1	Very high	44 Å²	44	24.5 Å²	24.5	21%	0.206	12%	0.12	C	C	.	.	H	α-helix	trans	-60.9	-41.8	174.1	-66.7	84	-14.1	0	0	111.4	Y242 M247 I248 L249 F311 I315 M323 V327	Y242-Q245 PolarHBondContact O-N 2.92Å; Y242-Q245 PolarHBondContact O-OE1 3.37Å; Q245-M247 VanDerWaalsContact C-N 3.3Å; Q245-M247 PolarHBondContact O-N 3.47Å; Q245-I248 PolarHBondContact O-N 2.85Å; Q245-I248 VanDerWaalsContact O-N 3.14Å; Q245-L249 PolarHBondContact O-N 3.43Å; Q245-F311 HydrophobicContact CB-CZ 3.87Å; Q245-I315 HydrophobicContact CB-CD1 4.18Å; Q245-I315 HydrophobicContact CG-CD1 4.25Å; Q245-M323 HydrophobicContact CB-CG 4.48Å; Q245-M323 HydrophobicContact CB-SD 3.9Å; Q245-M323 HydrophobicContact CG-CG 3.96Å; Q245-M323 HydrophobicContact CG-SD 3.95Å; Q245-V327 HydrophobicContact CG-CG2 4.08Å
246	S	98.7	Very high	98.1	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.5	-40.3	175.4	-69	0	0	0	0	112	L238 V239 Y242 F243 D244 L249 L250 F311	L238-S246 WeakPolarHBondContact CD2-O 3.26Å; V239-S246 PolarHBondContact N-OG 3.02Å; V239-S246 PolarHBondContact O-OG 2.98Å; V239-S246 VanDerWaalsContact O-OG 3.1Å; Y242-S246 WeakPolarHBondContact O-CB 3.39Å; Y242-S246 PolarHBondContact O-N 3.32Å; Y242-S246 PolarHBondContact O-OG 3.47Å; F243-S246 WeakPolarHBondContact O-CB 3.34Å; F243-S246 PolarHBondContact O-N 3.44Å; D244-S246 VanDerWaalsContact C-N 3.31Å; D244-S246 PolarHBondContact O-N 3.05Å; S246-L249 PolarHBondContact O-N 2.58Å; S246-L250 WeakPolarHBondContact O-CB 3.42Å; S246-L250 PolarHBondContact O-N 3.46Å; S246-F311 WeakPolarHBondContact OG-CE2 3.37Å
247	M	98.6	Very high	97.9	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-68.8	-34.5	176.4	-66.8	-54.9	92.7	0	0	112.3	V81 M84 L238 F243 D244 Q245 L250 R251 F263 L330	V81-M247 HydrophobicContact CG2-CE 4.06Å; M84-M247 HydrophobicContact CE-SD 4.49Å; M84-M247 HydrophobicContact SD-SD 3.8Å; L238-M247 HydrophobicContact CD1-CE 3.74Å; F243-M247 HydrophobicContact CD1-CE 4.34Å; F243-M247 HydrophobicContact CD1-CG 3.79Å; F243-M247 HydrophobicContact CD1-SD 4.38Å; F243-M247 HydrophobicContact CE1-CE 3.89Å; F243-M247 HydrophobicContact CE1-CG 3.62Å; F243-M247 HydrophobicContact CE1-SD 3.69Å; F243-M247 HydrophobicContact CE2-CE 4.47Å; F243-M247 HydrophobicContact CZ-CE 3.97Å; F243-M247 HydrophobicContact CZ-SD 4.12Å; F243-M247 WeakPolarHBondContact O-CG 3.22Å; F243-M247 PolarHBondContact O-N 3.02Å; D244-M247 PolarHBondContact O-N 3.49Å; Q245-M247 VanDerWaalsContact C-N 3.3Å; Q245-M247 PolarHBondContact O-N 3.47Å; M247-L250 HydrophobicContact CE-CD2 4.25Å; M247-L250 PolarHBondContact O-N 2.91Å; M247-R251 VanDerWaalsContact O-CB 3.29Å; M247-R251 WeakPolarHBondContact O-CB 3.45Å; M247-R251 PolarHBondContact O-N 3.48Å; M247-F263 HydrophobicContact CB-CE1 4.46Å; M247-F263 HydrophobicContact CG-CD1 3.76Å; M247-F263 HydrophobicContact CG-CE1 3.61Å; M247-F263 HydrophobicContact SD-CD1 4.48Å; M247-L330 HydrophobicContact CB-CD2 4Å
248	I	98.6	Very high	97.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-65.7	-47.8	172.8	-62	-48.6	0	0	0	110.9	D244 Q245 L250 R251 H252 L258 F318 M323 E326 V327 L330	D244-I248 PolarHBondContact O-N 3.45Å; D244-I248 VanDerWaalsContact O-N 3.13Å; Q245-I248 PolarHBondContact O-N 2.85Å; Q245-I248 VanDerWaalsContact O-N 3.14Å; I248-L250 VanDerWaalsContact C-N 3.29Å; I248-L250 PolarHBondContact O-N 3.46Å; I248-R251 WeakPolarHBondContact O-CB 3.21Å; I248-R251 PolarHBondContact O-N 2.94Å; I248-H252 PolarHBondContact O-CD2 2.94Å; I248-H252 PolarHBondContact O-N 2.8Å; I248-H252 VanDerWaalsContact O-N 3.15Å; I248-L258 HydrophobicContact CD1-CD1 4.5Å; I248-F318 HydrophobicContact CG2-CE1 4.1Å; I248-F318 HydrophobicContact CG2-CE2 4.43Å; I248-F318 HydrophobicContact CG2-CZ 3.76Å; I248-M323 HydrophobicContact CB-CE 4.23Å; I248-M323 HydrophobicContact CB-SD 3.77Å; I248-M323 HydrophobicContact CG1-SD 4.25Å; I248-M323 HydrophobicContact CG2-CE 3.97Å; I248-M323 HydrophobicContact CG2-SD 3.78Å; I248-E326 HydrophobicContact CD1-CB 3.84Å; I248-E326 HydrophobicContact CG1-CB 4Å; I248-E326 HydrophobicContact CG2-CB 3.8Å; I248-V327 HydrophobicContact CG1-CG2 3.83Å; I248-L330 HydrophobicContact CD1-CB 4.02Å; I248-L330 HydrophobicContact CD1-CD2 4.05Å; I248-L330 HydrophobicContact CG1-CD2 4.47Å
249	L	98.5	Very high	97.6	Very high	13 Å²	13	19 Å²	19	7%	0.068	10%	0.098	C	C	.	.	H	α-helix	trans	-58.8	-42.9	175.7	-68.6	-179.9	0	0	0	111.6	L236 Q245 S246 H252 A253 F311 E314 I315 F318 M323	L236-L249 HydrophobicContact CD1-CB 4.47Å; L236-L249 HydrophobicContact CD2-CB 4.38Å; Q245-L249 PolarHBondContact O-N 3.43Å; S246-L249 PolarHBondContact O-N 2.58Å; L249-H252 PolarHBondContact O-N 2.68Å; L249-A253 VanDerWaalsContact O-CB 3.29Å; L249-A253 WeakPolarHBondContact O-CB 3.25Å; L249-A253 PolarHBondContact O-N 3.39Å; L249-F311 HydrophobicContact CD1-CD2 3.99Å; L249-F311 HydrophobicContact CD1-CE2 3.67Å; L249-F311 HydrophobicContact CD1-CZ 4.4Å; L249-E314 HydrophobicContact CD1-CB 4.25Å; L249-I315 HydrophobicContact CD1-CG1 4.38Å; L249-F318 HydrophobicContact CD2-CB 4.23Å; L249-F318 HydrophobicContact CD2-CD2 4.15Å; L249-F318 HydrophobicContact CD2-CG 4.24Å; L249-M323 HydrophobicContact CD2-CE 3.58Å; L249-M323 HydrophobicContact CG-CE 3.78Å
250	L	98.6	Very high	97.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-65.2	-39.6	178	-172.6	65.7	0	0	0	112.5	M84 F151 L236 L238 S246 M247 I248 H252 A253 L254	M84-L250 HydrophobicContact CE-CD2 3.29Å; M84-L250 HydrophobicContact CE-CG 4.48Å; M84-L250 HydrophobicContact SD-CD2 4.35Å; F151-L250 HydrophobicContact CD1-CD1 4.23Å; F151-L250 HydrophobicContact CD2-CD1 3.75Å; F151-L250 HydrophobicContact CE1-CD1 4.19Å; F151-L250 HydrophobicContact CE2-CD1 3.72Å; F151-L250 HydrophobicContact CE2-CD2 3.78Å; F151-L250 HydrophobicContact CE2-CG 4.43Å; F151-L250 HydrophobicContact CG-CD1 4Å; F151-L250 HydrophobicContact CZ-CD1 3.94Å; F151-L250 HydrophobicContact CZ-CD2 3.97Å; L236-L250 HydrophobicContact CD2-CB 4.24Å; L236-L250 HydrophobicContact CD2-CD1 3.96Å; L238-L250 HydrophobicContact CD1-CD2 4.15Å; L238-L250 HydrophobicContact CD2-CB 4.21Å; S246-L250 WeakPolarHBondContact O-CB 3.42Å; S246-L250 PolarHBondContact O-N 3.46Å; M247-L250 HydrophobicContact CE-CD2 4.25Å; M247-L250 PolarHBondContact O-N 2.91Å; I248-L250 VanDerWaalsContact C-N 3.29Å; I248-L250 PolarHBondContact O-N 3.46Å; L250-H252 VanDerWaalsContact C-N 3.34Å; L250-H252 PolarHBondContact O-N 2.74Å; L250-A253 PolarHBondContact O-N 3.01Å; L250-L254 HydrophobicContact CD1-CD1 3.7Å; L250-L254 HydrophobicContact CD1-CG 3.89Å; L250-L254 HydrophobicContact CD2-CD1 4.35Å; L250-L254 HydrophobicContact CG-CD1 3.77Å; L250-L254 HydrophobicContact CG-CG 4.23Å; L250-L254 WeakPolarHBondContact O-CB 3.24Å; L250-L254 WeakPolarHBondContact O-CG 3.3Å; L250-L254 PolarHBondContact O-N 3.02Å
251	R	97.9	Very high	97.5	Very high	1 Å²	1	18.5 Å²	18.5	0%	0.004	10%	0.095	C	C	.	.	H	α-helix	trans	-54.6	-50.6	175.4	-177.8	-169.1	168.5	-106	-11.6	111.2	Q55 P57 L59 M247 I248 C255 W256 V261 E326	Q55-R251 PolarHBondContact O-NH2 3.29Å; P57-R251 PolarHBondContact O-NH2 3.16Å; L59-R251 VanDerWaalsContact CD2-CZ 3.47Å; L59-R251 VanDerWaalsContact CD2-NH1 3.3Å; M247-R251 VanDerWaalsContact O-CB 3.29Å; M247-R251 WeakPolarHBondContact O-CB 3.45Å; M247-R251 PolarHBondContact O-N 3.48Å; I248-R251 WeakPolarHBondContact O-CB 3.21Å; I248-R251 PolarHBondContact O-N 2.94Å; R251-C255 WeakPolarHBondContact O-CA 3.45Å; R251-C255 PolarHBondContact O-N 3.01Å; R251-W256 WeakPolarHBondContact CG-O 3.44Å; R251-W256 PolarHBondContact O-N 3.09Å; R251-V261 HydrophobicContact CB-CB 4.44Å; R251-V261 HydrophobicContact CB-CG1 3.89Å; R251-V261 HydrophobicContact CB-CG2 3.87Å; R251-V261 HydrophobicContact CG-CG1 4.31Å; R251-V261 HydrophobicContact CG-CG2 3.98Å; R251-E326 IonicContact CZ-OE2 3.33Å; R251-E326 IonicContact NH1-OE1 3.59Å; R251-E326 IonicContact NH1-OE2 3.65Å; R251-E326 PolarHBondContact NH1-OE2 2.8Å
252	H	97.6	Very high	97.5	Very high	50 Å²	50	15 Å²	15	23%	0.231	8%	0.079	C	C	.	.	H	α-helix	trans	-67.8	-43.7	179	-79.9	-96.5	0	0	0	111.6	L59 I248 L249 L250 L254 C255 F318 E326	L59-H252 WeakPolarHBondContact CD2-ND1 3.41Å; I248-H252 PolarHBondContact O-CD2 2.94Å; I248-H252 PolarHBondContact O-N 2.8Å; I248-H252 VanDerWaalsContact O-N 3.15Å; L249-H252 PolarHBondContact O-N 2.68Å; L250-H252 VanDerWaalsContact C-N 3.34Å; L250-H252 PolarHBondContact O-N 2.74Å; H252-L254 VanDerWaalsContact C-N 3.27Å; H252-L254 PolarHBondContact O-N 2.99Å; H252-C255 PolarHBondContact O-N 3.2Å; H252-F318 HydrophobicContact CB-CE2 4.35Å; H252-F318 AromaticContact CD2-CE2 3.45Å; H252-F318 VanDerWaalsContact CD2-CE2 3.45Å; H252-F318 WeakPolarHBondContact CD2-CE2 3.45Å; H252-F318 AromaticContact CD2-CZ 3.69Å; H252-F318 AromaticContact CE1-CE2 3.72Å; H252-F318 AromaticContact CE1-CZ 3.9Å; H252-F318 AromaticContact CG-CE2 3.65Å; H252-F318 AromaticContact ND1-CE2 3.84Å; H252-F318 AromaticContact NE2-CE2 3.5Å; H252-F318 AromaticContact NE2-CZ 3.4Å; H252-F318 WeakPolarHBondContact NE2-CZ 3.44Å; H252-E326 IonicContact CD2-OE2 3.25Å; H252-E326 IonicContact CE1-OE1 3.87Å; H252-E326 PolarHBondContact CE1-OE1 3.37Å; H252-E326 VanDerWaalsContact NE2-CD 3.25Å; H252-E326 IonicContact NE2-OE1 3.73Å; H252-E326 PolarHBondContact NE2-OE1 2.92Å; H252-E326 IonicContact NE2-OE2 3.77Å; H252-E326 PolarHBondContact NE2-OE2 3.43Å
253	A	97.3	Very high	97.4	Very high	31 Å²	31	12.5 Å²	12.5	26%	0.256	7%	0.069	S	C	.	.	H	α-helix	trans	-64.7	-29.8	179.9	0	0	0	0	0	113.7	H65 F149 L236 L249 L250	H65-A253 PolarHBondContact CD2-O 3.24Å; F149-A253 HydrophobicContact CE1-CB 4.36Å; F149-A253 HydrophobicContact CE2-CB 4.1Å; F149-A253 HydrophobicContact CZ-CB 3.61Å; L236-A253 HydrophobicContact CD2-CB 4.03Å; L249-A253 VanDerWaalsContact O-CB 3.29Å; L249-A253 WeakPolarHBondContact O-CB 3.25Å; L249-A253 PolarHBondContact O-N 3.39Å; L250-A253 PolarHBondContact O-N 3.01Å
254	L	97.9	Very high	97.3	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-96.5	-6.5	177.4	-64.7	-179.6	0	0	0	113.7	H65 I68 F149 L250 H252 W256	H65-L254 HydrophobicContact CB-CD2 3.96Å; H65-L254 PolarHBondContact N-O 3.05Å; I68-L254 HydrophobicContact CD1-CD1 4.05Å; I68-L254 HydrophobicContact CD1-CD2 3.93Å; I68-L254 HydrophobicContact CG1-CD2 4.08Å; F149-L254 HydrophobicContact CB-CD2 4.17Å; F149-L254 HydrophobicContact CD1-CD2 3.5Å; F149-L254 VanDerWaalsContact CD1-CD2 3.5Å; F149-L254 HydrophobicContact CE1-CD2 3.98Å; F149-L254 HydrophobicContact CG-CD2 3.81Å; L250-L254 HydrophobicContact CD1-CD1 3.7Å; L250-L254 HydrophobicContact CD1-CG 3.89Å; L250-L254 HydrophobicContact CD2-CD1 4.35Å; L250-L254 HydrophobicContact CG-CD1 3.77Å; L250-L254 HydrophobicContact CG-CG 4.23Å; L250-L254 WeakPolarHBondContact O-CB 3.24Å; L250-L254 WeakPolarHBondContact O-CG 3.3Å; L250-L254 PolarHBondContact O-N 3.02Å; H252-L254 VanDerWaalsContact C-N 3.27Å; H252-L254 PolarHBondContact O-N 2.99Å; L254-W256 VanDerWaalsContact C-N 3.29Å; L254-W256 HydrophobicContact CB-CB 4.41Å; L254-W256 HydrophobicContact CB-CD2 3.9Å; L254-W256 HydrophobicContact CB-CG 3.72Å; L254-W256 HydrophobicContact CD1-CD2 3.86Å; L254-W256 HydrophobicContact CD1-CE3 3.96Å; L254-W256 HydrophobicContact CD1-CH2 4.06Å; L254-W256 HydrophobicContact CD1-CZ2 3.94Å; L254-W256 HydrophobicContact CD1-CZ3 4.07Å; L254-W256 PolarHBondContact O-N 2.73Å
255	C	96.9	Very high	96.9	Very high	12 Å²	12	13.7 Å²	13.7	8%	0.081	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	44.2	-172.5	-65.2	0	0	0	0	112.9	C62 R63 R251 H252	C62-C255 HydrophobicContact CB-CB 4.13Å; C62-C255 WeakPolarHBondContact CB-SG 3.44Å; C62-C255 WeakPolarHBondContact SG-CB 3.48Å; C62-C255 CovalentContact SG-SG 2.02Å; C62-C255 PolarHBondContact SG-SG 2.98Å; R63-C255 WeakPolarHBondContact O-CB 3.35Å; R251-C255 WeakPolarHBondContact O-CA 3.45Å; R251-C255 PolarHBondContact O-N 3.01Å; H252-C255 PolarHBondContact O-N 3.2Å
256	W	96.4	Very high	96.4	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.075	C	C	.	.			trans	-100	148	-176.7	-76.6	9.4	0	0	0	112.1	L59 H65 I68 M84 L85 F88 R251 L254 V261	L59-W256 WeakPolarHBondContact CD1-O 3.32Å; H65-W256 PolarHBondContact O-NE1 3.27Å; I68-W256 HydrophobicContact CD1-CH2 3.82Å; I68-W256 HydrophobicContact CD1-CZ2 3.18Å; M84-W256 HydrophobicContact CE-CZ3 4.12Å; M84-W256 HydrophobicContact CG-CZ3 4.44Å; L85-W256 HydrophobicContact CD2-CH2 3.47Å; L85-W256 VanDerWaalsContact CD2-CH2 3.47Å; L85-W256 HydrophobicContact CD2-CZ2 4.44Å; L85-W256 HydrophobicContact CD2-CZ3 3.94Å; F88-W256 HydrophobicContact CB-CE3 4.31Å; F88-W256 HydrophobicContact CB-CH2 3.43Å; F88-W256 VanDerWaalsContact CB-CH2 3.43Å; F88-W256 HydrophobicContact CB-CZ2 3.94Å; F88-W256 HydrophobicContact CB-CZ3 3.66Å; F88-W256 HydrophobicContact CD1-CD2 4.47Å; F88-W256 AromaticContact CD1-CE2 3.64Å; F88-W256 AromaticContact CD1-CH2 3.54Å; F88-W256 HydrophobicContact CD1-CH2 3.54Å; F88-W256 AromaticContact CD1-CZ2 3.09Å; F88-W256 HydrophobicContact CD1-CZ2 3.09Å; F88-W256 HydrophobicContact CD1-CZ3 4.39Å; F88-W256 AromaticContact CD2-CD2 3.72Å; F88-W256 HydrophobicContact CD2-CD2 3.72Å; F88-W256 AromaticContact CD2-CE2 3.68Å; F88-W256 AromaticContact CD2-CE3 3.95Å; F88-W256 HydrophobicContact CD2-CE3 3.95Å; F88-W256 HydrophobicContact CD2-CG 4.23Å; F88-W256 HydrophobicContact CD2-CH2 4.07Å; F88-W256 AromaticContact CD2-CZ2 3.85Å; F88-W256 HydrophobicContact CD2-CZ2 3.85Å; F88-W256 HydrophobicContact CD2-CZ3 4.13Å; F88-W256 AromaticContact CE1-CE2 3.57Å; F88-W256 HydrophobicContact CE1-CH2 4.3Å; F88-W256 AromaticContact CE1-CZ2 3.41Å; F88-W256 HydrophobicContact CE1-CZ2 3.41Å; F88-W256 VanDerWaalsContact CE1-CZ2 3.41Å; F88-W256 AromaticContact CE1-NE1 3.59Å; F88-W256 AromaticContact CE2-CD1 3.75Å; F88-W256 AromaticContact CE2-CD2 3.82Å; F88-W256 HydrophobicContact CE2-CD2 3.82Å; F88-W256 AromaticContact CE2-CE2 3.62Å; F88-W256 HydrophobicContact CE2-CE3 4.5Å; F88-W256 AromaticContact CE2-CG 3.91Å; F88-W256 HydrophobicContact CE2-CG 3.91Å; F88-W256 HydrophobicContact CE2-CZ2 4.12Å; F88-W256 AromaticContact CE2-NE1 3.6Å; F88-W256 HydrophobicContact CG-CD2 4.06Å; F88-W256 AromaticContact CG-CE2 3.68Å; F88-W256 HydrophobicContact CG-CE3 4.11Å; F88-W256 AromaticContact CG-CH2 3.39Å; F88-W256 HydrophobicContact CG-CH2 3.39Å; F88-W256 AromaticContact CG-CZ2 3.33Å; F88-W256 HydrophobicContact CG-CZ2 3.33Å; F88-W256 AromaticContact CG-CZ3 3.8Å; F88-W256 HydrophobicContact CG-CZ3 3.8Å; F88-W256 AromaticContact CZ-CD1 3.78Å; F88-W256 HydrophobicContact CZ-CD2 4.24Å; F88-W256 AromaticContact CZ-CE2 3.56Å; F88-W256 HydrophobicContact CZ-CG 4.36Å; F88-W256 AromaticContact CZ-CZ2 3.92Å; F88-W256 HydrophobicContact CZ-CZ2 3.92Å; F88-W256 AromaticContact CZ-NE1 3.28Å; F88-W256 VanDerWaalsContact CZ-NE1 3.28Å; R251-W256 WeakPolarHBondContact CG-O 3.44Å; R251-W256 PolarHBondContact O-N 3.09Å; L254-W256 VanDerWaalsContact C-N 3.29Å; L254-W256 HydrophobicContact CB-CB 4.41Å; L254-W256 HydrophobicContact CB-CD2 3.9Å; L254-W256 HydrophobicContact CB-CG 3.72Å; L254-W256 HydrophobicContact CD1-CD2 3.86Å; L254-W256 HydrophobicContact CD1-CE3 3.96Å; L254-W256 HydrophobicContact CD1-CH2 4.06Å; L254-W256 HydrophobicContact CD1-CZ2 3.94Å; L254-W256 HydrophobicContact CD1-CZ3 4.07Å; L254-W256 PolarHBondContact O-N 2.73Å; W256-V261 HydrophobicContact CB-CG1 4.45Å; W256-V261 HydrophobicContact CE3-CG1 4.24Å
257	P	95.1	Very high	95.8	Very high	29 Å²	29	15.1 Å²	15.1	19%	0.188	9%	0.089	C	C	.	.			trans	-66.7	156.4	174.6	33.2	-37.9	0	0	0	110.7	D259 S260	P257-D259 VanDerWaalsContact C-N 3.3Å; P257-D259 PolarHBondContact O-N 3.33Å; P257-S260 WeakPolarHBondContact CG-OG 3.49Å; P257-S260 WeakPolarHBondContact O-CB 3.38Å; P257-S260 PolarHBondContact O-N 3.37Å; P257-S260 VanDerWaalsContact O-N 3.1Å
258	L	95.9	Very high	95.1	Very high	5 Å²	5	16.1 Å²	16.1	3%	0.026	10%	0.098	C	C	.	.	H	α-helix	trans	-54.3	-45.3	-177.7	-178.6	63.4	0	0	0	112.2	A54 Q55 I248 S260 V261 V262 L329 L330 R333	A54-L258 PolarHBondContact O-N 3.46Å; A54-L258 VanDerWaalsContact O-N 3.16Å; Q55-L258 PolarHBondContact O-N 3.03Å; I248-L258 HydrophobicContact CD1-CD1 4.5Å; L258-S260 PolarHBondContact O-N 3.28Å; L258-V261 HydrophobicContact CD1-CG2 4.27Å; L258-V261 WeakPolarHBondContact O-CG2 3.22Å; L258-V261 PolarHBondContact O-N 3.43Å; L258-V262 HydrophobicContact CG-CG2 4.47Å; L258-V262 WeakPolarHBondContact O-CG2 3.47Å; L258-V262 PolarHBondContact O-N 3.07Å; L258-V262 VanDerWaalsContact O-N 3.14Å; L258-L329 HydrophobicContact CD2-CB 4.24Å; L258-L330 HydrophobicContact CD1-CB 4.15Å; L258-L330 HydrophobicContact CD1-CD1 3.89Å; L258-R333 HydrophobicContact CD2-CB 4.45Å
259	D	95.1	Very high	94.3	Very high	15 Å²	15	19.1 Å²	19.1	8%	0.08	11%	0.109	C	C	.	.	H	α-helix	trans	-61.3	-28.5	-179.1	-92.9	17.1	0	0	0	113.8	A54 R87 P257 V261 V262 R333	A54-D259 VanDerWaalsContact CA-CG 3.42Å; A54-D259 WeakPolarHBondContact CA-OD1 2.9Å; A54-D259 HydrophobicContact CB-CB 3.92Å; A54-D259 VanDerWaalsContact CB-CG 3.41Å; A54-D259 WeakPolarHBondContact CB-OD2 3.35Å; A54-D259 PolarHBondContact O-N 2.79Å; R87-D259 PolarHBondContact NH2-O 2.87Å; R87-D259 VanDerWaalsContact NH2-O 3.16Å; P257-D259 VanDerWaalsContact C-N 3.3Å; P257-D259 PolarHBondContact O-N 3.33Å; D259-V261 PolarHBondContact O-N 2.85Å; D259-V262 PolarHBondContact O-N 2.64Å; D259-R333 WeakPolarHBondContact OD1-CG 3.26Å; D259-R333 IonicContact OD1-CZ 2.83Å; D259-R333 IonicContact OD1-NE 3.41Å; D259-R333 PolarHBondContact OD1-NE 3.32Å; D259-R333 IonicContact OD1-NH2 3.87Å; D259-R333 PolarHBondContact OD1-NH2 2.89Å; D259-R333 IonicContact OD2-CZ 2.89Å; D259-R333 IonicContact OD2-NE 3.21Å; D259-R333 IonicContact OD2-NH2 3.61Å; D259-R333 PolarHBondContact OD2-NH2 3.29Å
260	S	95.8	Very high	93.3	Very high	9 Å²	9	21.6 Å²	21.6	6%	0.063	12%	0.121	C	C	.	.	H	α-helix	trans	-71	-19.7	176.2	-66.6	0	0	0	0	112.8	M84 P257 L258	M84-S260 WeakPolarHBondContact CG-O 3.33Å; P257-S260 WeakPolarHBondContact CG-OG 3.49Å; P257-S260 WeakPolarHBondContact O-CB 3.38Å; P257-S260 PolarHBondContact O-N 3.37Å; P257-S260 VanDerWaalsContact O-N 3.1Å; L258-S260 PolarHBondContact O-N 3.28Å
261	V	97.1	Very high	91.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-107	-3.3	175.9	-58.6	0	0	0	0	114.1	M84 R251 W256 L258 D259 L330	M84-V261 HydrophobicContact SD-CB 3.97Å; M84-V261 HydrophobicContact SD-CG1 3.93Å; R251-V261 HydrophobicContact CB-CB 4.44Å; R251-V261 HydrophobicContact CB-CG1 3.89Å; R251-V261 HydrophobicContact CB-CG2 3.87Å; R251-V261 HydrophobicContact CG-CG1 4.31Å; R251-V261 HydrophobicContact CG-CG2 3.98Å; W256-V261 HydrophobicContact CB-CG1 4.45Å; W256-V261 HydrophobicContact CE3-CG1 4.24Å; L258-V261 HydrophobicContact CD1-CG2 4.27Å; L258-V261 WeakPolarHBondContact O-CG2 3.22Å; L258-V261 PolarHBondContact O-N 3.43Å; D259-V261 PolarHBondContact O-N 2.85Å; V261-L330 HydrophobicContact CG2-CD1 4.18Å
262	V	97.2	Very high	89.5	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.183	C	C	.	.			trans	-67.7	134.6	171.2	179.3	0	0	0	0	109.4	R87 L258 D259 L330 R333 R334 L337 M389	R87-V262 PolarHBondContact NH1-O 2.91Å; L258-V262 HydrophobicContact CG-CG2 4.47Å; L258-V262 WeakPolarHBondContact O-CG2 3.47Å; L258-V262 PolarHBondContact O-N 3.07Å; L258-V262 VanDerWaalsContact O-N 3.14Å; D259-V262 PolarHBondContact O-N 2.64Å; V262-L330 HydrophobicContact CB-CD1 4.42Å; V262-L330 HydrophobicContact CG2-CD1 3.84Å; V262-R333 HydrophobicContact CG2-CB 4.14Å; V262-R333 HydrophobicContact CG2-CG 3.68Å; V262-R334 HydrophobicContact CG1-CB 3.9Å; V262-R334 HydrophobicContact CG1-CG 4.39Å; V262-L337 HydrophobicContact CB-CD1 4.32Å; V262-L337 HydrophobicContact CG1-CD1 3.83Å; V262-M389 HydrophobicContact CG1-CE 3.97Å
263	F	96.4	Very high	87	Confident	15 Å²	15	37.6 Å²	37.6	7%	0.066	20%	0.203	C	C	.	.			trans	-137.9	155.6	-173.6	67	-87.2	0	0	0	112.5	T80 F243 D244 M247 L330 R334	T80-F263 HydrophobicContact CG2-CB 3.66Å; T80-F263 HydrophobicContact CG2-CD2 3.47Å; T80-F263 VanDerWaalsContact CG2-CD2 3.47Å; T80-F263 HydrophobicContact CG2-CE2 4.36Å; T80-F263 HydrophobicContact CG2-CG 3.78Å; F243-F263 HydrophobicContact CD1-CD1 4.23Å; F243-F263 HydrophobicContact CD1-CD2 4.34Å; F243-F263 AromaticContact CD1-CE1 3.5Å; F243-F263 HydrophobicContact CD1-CE1 3.5Å; F243-F263 AromaticContact CD1-CE2 3.62Å; F243-F263 HydrophobicContact CD1-CE2 3.62Å; F243-F263 AromaticContact CD1-CZ 3.13Å; F243-F263 HydrophobicContact CD1-CZ 3.13Å; F243-F263 AromaticContact CE1-CD1 3.78Å; F243-F263 HydrophobicContact CE1-CD1 3.78Å; F243-F263 AromaticContact CE1-CD2 3.82Å; F243-F263 HydrophobicContact CE1-CD2 3.82Å; F243-F263 AromaticContact CE1-CE1 3.54Å; F243-F263 HydrophobicContact CE1-CE1 3.54Å; F243-F263 AromaticContact CE1-CE2 3.56Å; F243-F263 HydrophobicContact CE1-CE2 3.56Å; F243-F263 AromaticContact CE1-CG 3.91Å; F243-F263 HydrophobicContact CE1-CG 3.91Å; F243-F263 AromaticContact CE1-CZ 3.41Å; F243-F263 HydrophobicContact CE1-CZ 3.41Å; F243-F263 VanDerWaalsContact CE1-CZ 3.41Å; F243-F263 HydrophobicContact CG-CZ 4.27Å; D244-F263 WeakPolarHBondContact OD1-CZ 3.38Å; M247-F263 HydrophobicContact CB-CE1 4.46Å; M247-F263 HydrophobicContact CG-CD1 3.76Å; M247-F263 HydrophobicContact CG-CE1 3.61Å; M247-F263 HydrophobicContact SD-CD1 4.48Å; F263-L330 HydrophobicContact CE1-CD2 4.38Å; F263-R334 WeakPolarHBondContact O-CD 3.41Å; F263-R334 WeakPolarHBondContact O-CG 3.42Å
264	F	95.6	Very high	84.3	Confident	8 Å²	8	42.6 Å²	42.6	4%	0.035	24%	0.235	C	C	.	.			trans	-106.7	145	159.7	-58.5	-45.8	0	0	0	109.2	L266 R334 L337 A338 C341 L342 Y372 M389 I390	F264-L266 PolarHBondContact O-N 3.24Å; F264-R334 HydrophobicContact CD1-CG 4.16Å; F264-R334 HydrophobicContact CE1-CG 4.12Å; F264-L337 HydrophobicContact CZ-CB 3.98Å; F264-A338 HydrophobicContact CE1-CB 3.83Å; F264-A338 HydrophobicContact CZ-CB 4.27Å; F264-C341 HydrophobicContact CE2-CB 4.3Å; F264-C341 HydrophobicContact CZ-CB 4.46Å; F264-L342 HydrophobicContact CD1-CD1 4.02Å; F264-L342 HydrophobicContact CD2-CD1 4.01Å; F264-L342 HydrophobicContact CD2-CD2 4.22Å; F264-L342 HydrophobicContact CE1-CD1 3.94Å; F264-L342 HydrophobicContact CE2-CD1 3.9Å; F264-L342 HydrophobicContact CE2-CD2 3.94Å; F264-L342 HydrophobicContact CE2-CG 4.06Å; F264-L342 HydrophobicContact CG-CD1 4.06Å; F264-L342 HydrophobicContact CZ-CD1 3.87Å; F264-L342 HydrophobicContact CZ-CG 4.16Å; F264-Y372 HydrophobicContact CB-CD2 4.47Å; F264-Y372 HydrophobicContact CB-CE2 3.86Å; F264-M389 HydrophobicContact CD2-CB 3.71Å; F264-M389 HydrophobicContact CD2-CE 4.09Å; F264-M389 HydrophobicContact CD2-SD 4.47Å; F264-M389 HydrophobicContact CE1-CE 4.32Å; F264-M389 HydrophobicContact CE2-CB 3.76Å; F264-M389 HydrophobicContact CE2-CE 3.7Å; F264-M389 HydrophobicContact CE2-CG 4.4Å; F264-M389 HydrophobicContact CE2-SD 3.75Å; F264-M389 HydrophobicContact CZ-CE 3.82Å; F264-M389 HydrophobicContact CZ-SD 4.14Å; F264-I390 HydrophobicContact CD2-CG2 3.56Å; F264-I390 HydrophobicContact CE2-CG2 4.19Å; F264-I390 HydrophobicContact CG-CG2 4.49Å
265	S	90.5	Very high	81.4	Confident	55 Å²	55	47.9 Å²	47.9	39%	0.385	27%	0.273	S	S	.	.			trans	-70.1	103.8	-175.7	178.5	0	0	0	0	110.8	Y372	S265-Y372 PolarHBondContact N-OH 2.83Å; S265-Y372 WeakPolarHBondContact O-CE2 3.29Å; S265-Y372 PolarHBondContact O-OH 2.78Å
266	L	88.9	Confident	78.7	Confident	17 Å²	17	50.7 Å²	50.7	9%	0.089	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	150.3	177.3	-58.9	-175.4	0	0	0	111.8	T80 N83 F264 A268 Y372	T80-L266 PolarHBondContact OG1-N 3.11Å; N83-L266 HydrophobicContact CB-CD1 3.47Å; N83-L266 VanDerWaalsContact CB-CD1 3.47Å; F264-L266 PolarHBondContact O-N 3.24Å; L266-A268 PolarHBondContact O-N 3.03Å; L266-Y372 HydrophobicContact CD2-CD2 4.47Å; L266-Y372 HydrophobicContact CD2-CE2 4.4Å
267	N	85.3	Confident	76.1	Confident	56 Å²	56	55.5 Å²	55.5	30%	0.299	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	31.2	-178.7	-62.1	-35.4	0	0	0	113.9	S79 I369	S79-N267 WeakPolarHBondContact CB-ND2 3.41Å; S79-N267 PolarHBondContact OG-ND2 3.1Å; N267-I369 HydrophobicContact CB-CG2 3.94Å
268	A	84.8	Confident	73.5	Confident	23 Å²	23	63 Å²	63	19%	0.19	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-62.7	139.3	172.7	0	0	0	0	0	110	L266 L370	L266-A268 PolarHBondContact O-N 3.03Å; A268-L370 PolarHBondContact O-N 3.42Å
269	R	82.3	Confident	70.9	Confident	62 Å²	62	71.6 Å²	71.6	23%	0.234	41%	0.408	C	S	.	.	B	Isolated β-bridge	trans	-85.7	142.5	175.2	-62.4	-178.3	-66.7	165	4.9	109.1	E162 Q271 V367	E162-R269 IonicContact OE1-CZ 3.03Å; E162-R269 IonicContact OE1-NH1 3.41Å; E162-R269 PolarHBondContact OE1-NH1 3.39Å; E162-R269 VanDerWaalsContact OE1-NH1 3.12Å; E162-R269 IonicContact OE1-NH2 3.23Å; E162-R269 PolarHBondContact OE1-NH2 3.29Å; R269-Q271 PolarHBondContact O-N 3.09Å; R269-Q271 VanDerWaalsContact O-N 3.17Å; R269-V367 HydrophobicContact CB-CB 4.45Å; R269-V367 HydrophobicContact CG-CB 4.2Å; R269-V367 HydrophobicContact CG-CG2 3.92Å
270	Q	75.9	Confident	68.9	Low	66 Å²	66	74 Å²	74	31%	0.308	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-62.3	117.5	167	-165.9	177.1	25.8	0	0	109.6	E350 K368 L370	Q270-E350 PolarHBondContact NE2-OE1 3.26Å; Q270-E350 PolarHBondContact OE1-OE1 3.19Å; Q270-K368 HydrophobicContact CB-CB 4.32Å; Q270-K368 PolarHBondContact N-O 2.95Å; Q270-L370 HydrophobicContact CB-CD1 4.24Å; Q270-L370 HydrophobicContact CB-CD2 3.93Å; Q270-L370 HydrophobicContact CB-CG 4.18Å; Q270-L370 HydrophobicContact CG-CD2 4.34Å
271	Q	63.7	Low	66.9	Low	180 Å²	180	75.1 Å²	75.1	84%	0.841	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-82.4	119.6	164.4	-60.8	-161.9	6	0	0	107.2	R269	R269-Q271 PolarHBondContact O-N 3.09Å; R269-Q271 VanDerWaalsContact O-N 3.17Å
272	K	54.8	Low	65.8	Low	107 Å²	107	80 Å²	80	47%	0.465	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-77.9	134	173.8	-78.7	-173.7	173.7	-179.4	0	108.9
273	P	43.3	Very low	65.2	Low	100 Å²	100	81.5 Å²	81.5	65%	0.649	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-56	143.4	162.9	-18.1	29.5	0	0	0	109.7	S275	P273-S275 PolarHBondContact O-N 3.49Å
274	S	41.2	Very low	64.7	Low	135 Å²	135	85 Å²	85	94%	0.944	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	4.7	-172.8	28.8	0	0	0	0	116.4
275	S	36.3	Very low	64.5	Low	112 Å²	112	85.7 Å²	85.7	78%	0.783	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	2.9	-170.3	55.8	0	0	0	0	116.5	P273	P273-S275 PolarHBondContact O-N 3.49Å
276	A	40.9	Very low	64.8	Low	71 Å²	71	86.2 Å²	86.2	59%	0.587	49%	0.493	S	S	*	.			trans	-137	65.3	178.9	0	0	0	0	0	113	K278	A276-K278 PolarHBondContact O-N 3.06Å; A276-K278 VanDerWaalsContact O-N 3.12Å
277	A	40.9	Very low	65.2	Low	100 Å²	100	90.7 Å²	90.7	83%	0.826	52%	0.523	S	S	*	.			trans	-79.8	83.3	177.2	0	0	0	0	0	112
278	K	40.5	Very low	65.8	Low	188 Å²	188	93.8 Å²	93.8	82%	0.817	54%	0.536	S	S	*	.			trans	-89.2	115.3	143.8	-91.4	-177.3	176.7	177.1	0	107.5	A276 L280	A276-K278 PolarHBondContact O-N 3.06Å; A276-K278 VanDerWaalsContact O-N 3.12Å; K278-L280 PolarHBondContact O-N 3.02Å
279	M	43.4	Very low	66.4	Low	184 Å²	184	93.8 Å²	93.8	91%	0.906	53%	0.532	S	S	*	.			trans	-33.4	107.3	-165	-61.5	-177.9	78.6	0	0	115.4
280	L	52.3	Low	67.2	Low	66 Å²	66	95.7 Å²	95.7	35%	0.346	54%	0.539	S	S	.	.			trans	-78	147.9	141.5	-102.1	93	0	0	0	107.2	K278 N282 L283 L366 V367	K278-L280 PolarHBondContact O-N 3.02Å; L280-N282 PolarHBondContact O-N 2.91Å; L280-L283 HydrophobicContact CD2-CD1 4.39Å; L280-L366 HydrophobicContact CD2-CB 4.14Å; L280-L366 WeakPolarHBondContact CD2-O 3.47Å; L280-V367 HydrophobicContact CD2-CG1 3.86Å
281	P	54.6	Low	68.3	Low	32 Å²	32	96 Å²	96	21%	0.208	54%	0.541	C	S	.	.			trans	-47.7	125.3	165.4	-30.6	40.1	0	0	0	109.6	F165 L283 L366	F165-P281 HydrophobicContact CE1-CB 4.38Å; P281-L283 PolarHBondContact O-N 3.18Å; P281-L366 HydrophobicContact CB-CD1 3.74Å; P281-L366 HydrophobicContact CG-CD1 3.39Å; P281-L366 HydrophobicContact CG-CD2 3.6Å; P281-L366 HydrophobicContact CG-CG 4.06Å
282	N	72.7	Confident	69.9	Low	102 Å²	102	90.1 Å²	90.1	55%	0.545	51%	0.512	S	S	.	.			trans	-49.4	98.3	-172.7	-168.4	6.8	0	0	0	111.1	L181 L280 S284	L181-N282 PolarHBondContact N-O 2.81Å; L280-N282 PolarHBondContact O-N 2.91Å; N282-S284 VanDerWaalsContact C-N 3.3Å; N282-S284 VanDerWaalsContact OD1-CB 3.27Å; N282-S284 WeakPolarHBondContact OD1-CB 3.27Å; N282-S284 PolarHBondContact OD1-N 3.39Å; N282-S284 PolarHBondContact OD1-OG 3.41Å
283	L	84.1	Confident	72	Confident	32 Å²	32	85 Å²	85	17%	0.168	49%	0.49	C	S	.	.			trans	-83.5	-10.4	175	-69.7	178.9	0	0	0	111.7	E162 F165 A166 L181 L280 P281	E162-L283 HydrophobicContact CG-CB 4.3Å; E162-L283 HydrophobicContact CG-CD1 4.41Å; E162-L283 HydrophobicContact CG-CD2 4.25Å; F165-L283 HydrophobicContact CD1-CD2 3.73Å; F165-L283 HydrophobicContact CE1-CD2 4.33Å; A166-L283 HydrophobicContact CB-CD1 4.05Å; A166-L283 HydrophobicContact CB-CD2 4.22Å; L181-L283 HydrophobicContact CB-CD2 4.2Å; L181-L283 HydrophobicContact CD2-CD2 4.28Å; L280-L283 HydrophobicContact CD2-CD1 4.39Å; P281-L283 PolarHBondContact O-N 3.18Å
284	S	86.6	Confident	74.7	Confident	88 Å²	88	83.2 Å²	83.2	62%	0.615	47%	0.47	S	S	*	.			trans	-63.8	137.4	178.6	-54.8	0	0	0	0	110.3	N282	N282-S284 VanDerWaalsContact C-N 3.3Å; N282-S284 VanDerWaalsContact OD1-CB 3.27Å; N282-S284 WeakPolarHBondContact OD1-CB 3.27Å; N282-S284 PolarHBondContact OD1-N 3.39Å; N282-S284 PolarHBondContact OD1-OG 3.41Å
285	L	92.3	Very high	77.4	Confident	23 Å²	23	83 Å²	83	12%	0.12	45%	0.454	C	S	.	.			trans	-128.1	133.4	-177.5	-74	166.4	0	0	0	110.3	V158 L181 A185 Q289 R290 L293	V158-L285 HydrophobicContact CG1-CD1 3.99Å; L181-L285 HydrophobicContact CD2-CD1 3.66Å; L181-L285 HydrophobicContact CD2-CD2 4.35Å; L181-L285 HydrophobicContact CD2-CG 4.05Å; L181-L285 HydrophobicContact CG-CD1 4.22Å; L181-L285 HydrophobicContact CG-CD2 4.05Å; L181-L285 HydrophobicContact CG-CG 4.29Å; A185-L285 HydrophobicContact CB-CD2 3.98Å; L285-Q289 HydrophobicContact CB-CB 4.47Å; L285-Q289 HydrophobicContact CD2-CB 3.65Å; L285-R290 HydrophobicContact CB-CG 3.89Å; L285-R290 HydrophobicContact CD1-CG 4.35Å; L285-L293 HydrophobicContact CD1-CD1 3.59Å; L285-L293 HydrophobicContact CD2-CD1 4.02Å; L285-L293 HydrophobicContact CG-CD1 4.48Å
286	T	95.9	Very high	80.3	Confident	66 Å²	66	78.7 Å²	78.7	41%	0.405	42%	0.421	S	S	.	.			trans	-70.7	160	167.8	69.4	0	0	0	0	110.7	E288 Q289 R290	T286-E288 PolarHBondContact O-N 2.94Å; T286-Q289 PolarHBondContact O-N 3.27Å; T286-Q289 WeakPolarHBondContact OG1-CG 3.39Å; T286-Q289 PolarHBondContact OG1-N 3.08Å; T286-Q289 VanDerWaalsContact OG1-N 3.15Å; T286-Q289 PolarHBondContact OG1-OE1 3.08Å; T286-R290 WeakPolarHBondContact O-CG 3.46Å; T286-R290 PolarHBondContact O-N 2.91Å
287	P	97.3	Very high	83.1	Confident	111 Å²	111	75.6 Å²	75.6	72%	0.721	39%	0.394	S	S	*	.	H	α-helix	trans	-53.8	-38.4	173.4	-27.4	36.2	0	0	0	113.3	R290 E291	P287-R290 WeakPolarHBondContact O-CB 3.33Å; P287-R290 PolarHBondContact O-N 3.27Å; P287-E291 PolarHBondContact O-N 3.27Å
288	E	98	Very high	85.9	Confident	121 Å²	121	71.8 Å²	71.8	57%	0.565	36%	0.363	S	S	*	.	H	α-helix	trans	-64.6	-47.4	176.7	-170.2	-165.8	150.9	0	0	111.9	T286 R290 E291 K292	T286-E288 PolarHBondContact O-N 2.94Å; E288-R290 VanDerWaalsContact C-N 3.25Å; E288-R290 PolarHBondContact O-N 3.22Å; E288-E291 PolarHBondContact O-N 3.46Å; E288-K292 PolarHBondContact O-N 3.22Å; E288-K292 WeakPolarHBondContact OE1-CE 3.48Å; E288-K292 IonicContact OE1-NZ 3.53Å; E288-K292 PolarHBondContact OE1-NZ 3.26Å
289	Q	98.2	Very high	88.6	Confident	23 Å²	23	62.9 Å²	62.9	11%	0.107	32%	0.324	C	S	.	.	H	α-helix	trans	-62.5	-33.6	177.8	-73.8	168.5	-24.4	0	0	112.1	G182 A185 D186 L285 T286 E291 K292 L293	G182-Q289 PolarHBondContact O-NE2 3.3Å; A185-Q289 HydrophobicContact CB-CB 3.91Å; A185-Q289 HydrophobicContact CB-CG 4.24Å; D186-Q289 WeakPolarHBondContact OD1-CG 3.49Å; D186-Q289 PolarHBondContact OD2-NE2 2.93Å; L285-Q289 HydrophobicContact CB-CB 4.47Å; L285-Q289 HydrophobicContact CD2-CB 3.65Å; T286-Q289 PolarHBondContact O-N 3.27Å; T286-Q289 WeakPolarHBondContact OG1-CG 3.39Å; T286-Q289 PolarHBondContact OG1-N 3.08Å; T286-Q289 VanDerWaalsContact OG1-N 3.15Å; T286-Q289 PolarHBondContact OG1-OE1 3.08Å; Q289-E291 VanDerWaalsContact C-N 3.32Å; Q289-K292 PolarHBondContact O-N 2.77Å; Q289-L293 WeakPolarHBondContact O-CG 3.09Å; Q289-L293 PolarHBondContact O-N 3.18Å
290	R	98.4	Very high	91.3	Very high	103 Å²	103	54.1 Å²	54.1	39%	0.389	28%	0.281	S	S	.	.	H	α-helix	trans	-62.3	-40.9	172.9	-66.1	175.7	171.4	-95.2	-1.3	111.4	V158 L285 T286 P287 E288 L293 R294	V158-R290 HydrophobicContact CG1-CB 4.16Å; V158-R290 HydrophobicContact CG1-CG 3.9Å; V158-R290 HydrophobicContact CG2-CB 4.44Å; V158-R290 WeakPolarHBondContact CG2-O 3.49Å; L285-R290 HydrophobicContact CB-CG 3.89Å; L285-R290 HydrophobicContact CD1-CG 4.35Å; T286-R290 WeakPolarHBondContact O-CG 3.46Å; T286-R290 PolarHBondContact O-N 2.91Å; P287-R290 WeakPolarHBondContact O-CB 3.33Å; P287-R290 PolarHBondContact O-N 3.27Å; E288-R290 VanDerWaalsContact C-N 3.25Å; E288-R290 PolarHBondContact O-N 3.22Å; R290-L293 PolarHBondContact O-N 3.16Å; R290-R294 PolarHBondContact O-N 3.24Å; R290-R294 VanDerWaalsContact O-N 3.11Å
291	E	98.4	Very high	93.5	Very high	73 Å²	73	53.9 Å²	53.9	34%	0.341	28%	0.276	S	S	.	.	H	α-helix	trans	-69.2	-41.5	177	-169.5	53.7	-144.3	0	0	112	P287 E288 Q289 L293 R294 Q295	P287-E291 PolarHBondContact O-N 3.27Å; E288-E291 PolarHBondContact O-N 3.46Å; Q289-E291 VanDerWaalsContact C-N 3.32Å; E291-L293 PolarHBondContact O-N 3.39Å; E291-R294 WeakPolarHBondContact O-CB 3.37Å; E291-R294 PolarHBondContact O-N 3.44Å; E291-R294 WeakPolarHBondContact OE2-CD 3.27Å; E291-R294 IonicContact OE2-CZ 2.92Å; E291-R294 IonicContact OE2-NH1 2.8Å; E291-R294 PolarHBondContact OE2-NH1 2.8Å; E291-Q295 WeakPolarHBondContact O-CG 3.32Å; E291-Q295 PolarHBondContact O-N 3.42Å
292	K	98.6	Very high	95.6	Very high	56 Å²	56	54.1 Å²	54.1	24%	0.243	27%	0.273	C	S	.	.	H	α-helix	trans	-56.5	-39.9	171.8	-67.2	179.8	-175	165.8	0	111.9	A185 D186 E288 Q289 Q295 W296	A185-K292 VanDerWaalsContact O-CB 3.29Å; A185-K292 WeakPolarHBondContact O-CB 3.31Å; A185-K292 WeakPolarHBondContact O-CD 3.25Å; D186-K292 IonicContact OD1-NZ 2.73Å; D186-K292 PolarHBondContact OD1-NZ 3.24Å; E288-K292 PolarHBondContact O-N 3.22Å; E288-K292 WeakPolarHBondContact OE1-CE 3.48Å; E288-K292 IonicContact OE1-NZ 3.53Å; E288-K292 PolarHBondContact OE1-NZ 3.26Å; Q289-K292 PolarHBondContact O-N 2.77Å; K292-Q295 PolarHBondContact O-N 2.86Å; K292-W296 WeakPolarHBondContact O-CB 3.46Å; K292-W296 PolarHBondContact O-N 3.3Å
293	L	98.5	Very high	96.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66.5	-35.3	174.8	-75	176.6	0	0	0	113.4	V158 A161 L181 F184 A185 L285 Q289 R290 E291 N297	V158-L293 HydrophobicContact CG1-CD1 4.24Å; V158-L293 HydrophobicContact CG2-CB 4.37Å; A161-L293 HydrophobicContact CB-CD1 4.34Å; A161-L293 HydrophobicContact CB-CD2 4.46Å; L181-L293 HydrophobicContact CD1-CD1 4.46Å; F184-L293 HydrophobicContact CD1-CD2 4.28Å; F184-L293 HydrophobicContact CE1-CD2 4.33Å; A185-L293 HydrophobicContact CB-CD1 4.12Å; A185-L293 HydrophobicContact CB-CD2 3.86Å; A185-L293 HydrophobicContact CB-CG 3.67Å; L285-L293 HydrophobicContact CD1-CD1 3.59Å; L285-L293 HydrophobicContact CD2-CD1 4.02Å; L285-L293 HydrophobicContact CG-CD1 4.48Å; Q289-L293 WeakPolarHBondContact O-CG 3.09Å; Q289-L293 PolarHBondContact O-N 3.18Å; R290-L293 PolarHBondContact O-N 3.16Å; E291-L293 PolarHBondContact O-N 3.39Å; L293-N297 WeakPolarHBondContact O-CB 3.45Å; L293-N297 PolarHBondContact O-N 2.96Å; L293-N297 PolarHBondContact O-ND2 2.94Å
294	R	98.6	Very high	97.5	Very high	62 Å²	62	48.8 Å²	48.8	23%	0.234	24%	0.243	C	C	.	.	H	α-helix	trans	-65.8	-41.7	172.6	-68.7	-178.6	-172.2	123.4	-1	111.4	V158 R290 E291 N297 A298 W301	V158-R294 HydrophobicContact CG2-CG 3.71Å; R290-R294 PolarHBondContact O-N 3.24Å; R290-R294 VanDerWaalsContact O-N 3.11Å; E291-R294 WeakPolarHBondContact O-CB 3.37Å; E291-R294 PolarHBondContact O-N 3.44Å; E291-R294 WeakPolarHBondContact OE2-CD 3.27Å; E291-R294 IonicContact OE2-CZ 2.92Å; E291-R294 IonicContact OE2-NH1 2.8Å; E291-R294 PolarHBondContact OE2-NH1 2.8Å; R294-N297 CarbonylContact O-C 3.13Å; R294-N297 PolarHBondContact O-N 3.29Å; R294-A298 VanDerWaalsContact O-CA 3.3Å; R294-A298 WeakPolarHBondContact O-CA 3.32Å; R294-A298 PolarHBondContact O-N 3.5Å; R294-W301 HydrophobicContact CB-CB 4.45Å; R294-W301 HydrophobicContact CB-CD2 4.34Å; R294-W301 HydrophobicContact CB-CG 4.12Å; R294-W301 HydrophobicContact CG-CD2 4.11Å; R294-W301 HydrophobicContact CG-CE3 4.22Å; R294-W301 HydrophobicContact CG-CG 4.38Å
295	Q	98.4	Very high	98.1	Very high	129 Å²	129	49.9 Å²	49.9	60%	0.603	24%	0.236	S	C	*	.	H	α-helix	trans	-64.8	-43.4	176	-66.5	172.7	10.1	0	0	111.7	E291 K292 N297 A298	E291-Q295 WeakPolarHBondContact O-CG 3.32Å; E291-Q295 PolarHBondContact O-N 3.42Å; K292-Q295 PolarHBondContact O-N 2.86Å; Q295-N297 VanDerWaalsContact C-N 3.28Å; Q295-N297 PolarHBondContact O-N 3.06Å; Q295-A298 WeakPolarHBondContact O-CB 3.3Å; Q295-A298 PolarHBondContact O-N 3.34Å
296	W	98.6	Very high	98.4	Very high	22 Å²	22	49.9 Å²	49.9	8%	0.083	24%	0.238	C	C	.	.	H	α-helix	trans	-61.7	-38.3	175.9	177.8	-113.9	0	0	0	112.4	F184 P188 K189 Y192 A202 R203 K292	F184-W296 AromaticContact CZ-NE1 3.78Å; P188-W296 HydrophobicContact CB-CD2 3.55Å; P188-W296 HydrophobicContact CB-CE3 3.87Å; P188-W296 HydrophobicContact CB-CG 3.94Å; P188-W296 HydrophobicContact CB-CH2 4.25Å; P188-W296 HydrophobicContact CB-CZ2 3.96Å; P188-W296 HydrophobicContact CB-CZ3 4.21Å; P188-W296 HydrophobicContact CG-CB 4.11Å; P188-W296 HydrophobicContact CG-CD2 3.46Å; P188-W296 VanDerWaalsContact CG-CD2 3.46Å; P188-W296 HydrophobicContact CG-CE3 3.45Å; P188-W296 VanDerWaalsContact CG-CE3 3.45Å; P188-W296 HydrophobicContact CG-CG 3.75Å; P188-W296 HydrophobicContact CG-CZ3 4.05Å; K189-W296 HydrophobicContact CG-CH2 4.36Å; K189-W296 HydrophobicContact CG-CZ3 3.75Å; Y192-W296 AromaticContact CD1-CH2 3.82Å; Y192-W296 HydrophobicContact CD1-CH2 3.82Å; Y192-W296 AromaticContact CD1-CZ2 3.89Å; Y192-W296 HydrophobicContact CD1-CZ2 3.89Å; Y192-W296 AromaticContact CD2-CZ2 3.8Å; Y192-W296 HydrophobicContact CD2-CZ2 3.8Å; Y192-W296 HydrophobicContact CE1-CZ2 4.5Å; Y192-W296 HydrophobicContact CE2-CZ2 4.39Å; Y192-W296 AromaticContact CG-CH2 3.8Å; Y192-W296 HydrophobicContact CG-CH2 3.8Å; Y192-W296 AromaticContact CG-CZ2 3.5Å; Y192-W296 HydrophobicContact CG-CZ2 3.5Å; A202-W296 PolarHBondContact O-NE1 3.1Å; R203-W296 HydrophobicContact CB-CZ2 3.84Å; R203-W296 VanDerWaalsContact CD-CZ2 3.48Å; R203-W296 HydrophobicContact CG-CD2 4.33Å; R203-W296 HydrophobicContact CG-CH2 4.43Å; R203-W296 HydrophobicContact CG-CZ2 3.75Å; K292-W296 WeakPolarHBondContact O-CB 3.46Å; K292-W296 PolarHBondContact O-N 3.3Å
297	N	98.8	Very high	98.5	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.032	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	43	177.1	-59	-72.6	0	0	0	112.1	P157 R203 N204 L293 R294 Q295 F299 D300 W301	P157-N297 HydrophobicContact CB-CB 4.23Å; R203-N297 WeakPolarHBondContact CA-OD1 3.43Å; N204-N297 PolarHBondContact N-OD1 2.78Å; N204-N297 WeakPolarHBondContact OD1-CA 3.45Å; N204-N297 PolarHBondContact OD1-O 3.15Å; L293-N297 WeakPolarHBondContact O-CB 3.45Å; L293-N297 PolarHBondContact O-N 2.96Å; L293-N297 PolarHBondContact O-ND2 2.94Å; R294-N297 CarbonylContact O-C 3.13Å; R294-N297 PolarHBondContact O-N 3.29Å; Q295-N297 VanDerWaalsContact C-N 3.28Å; Q295-N297 PolarHBondContact O-N 3.06Å; N297-F299 VanDerWaalsContact C-N 3.26Å; N297-F299 PolarHBondContact O-N 2.79Å; N297-D300 HydrophobicContact CB-CB 4.25Å; N297-D300 PolarHBondContact O-N 3.27Å; N297-D300 VanDerWaalsContact O-N 3.08Å; N297-W301 PolarHBondContact O-N 3.01Å
298	A	98.8	Very high	98.5	Very high	21 Å²	21	43.2 Å²	43.2	17%	0.174	19%	0.193	C	C	.	.	H	α-helix	trans	-57.1	-34.4	-171.1	0	0	0	0	0	114.3	N204 F218 R294 Q295 Y302	N204-A298 PolarHBondContact OD1-N 2.82Å; F218-A298 HydrophobicContact CB-CB 4.02Å; F218-A298 HydrophobicContact CD2-CB 3.63Å; F218-A298 HydrophobicContact CE2-CB 4.26Å; F218-A298 HydrophobicContact CG-CB 3.82Å; R294-A298 VanDerWaalsContact O-CA 3.3Å; R294-A298 WeakPolarHBondContact O-CA 3.32Å; R294-A298 PolarHBondContact O-N 3.5Å; Q295-A298 WeakPolarHBondContact O-CB 3.3Å; Q295-A298 PolarHBondContact O-N 3.34Å; A298-Y302 WeakPolarHBondContact O-CB 3.36Å; A298-Y302 PolarHBondContact O-N 3.14Å
299	F	98.9	Very high	98.5	Very high	1 Å²	1	44 Å²	44	0%	0.004	20%	0.195	C	C	.	.	H	α-helix	trans	-69.3	-46.1	176.2	-77.8	-60.3	0	0	0	111.6	N204 W207 A216 F218 L222 A223 N297 W301 Y302 L303	N204-F299 HydrophobicContact CB-CB 4.41Å; N204-F299 PolarHBondContact OD1-N 2.85Å; N204-F299 VanDerWaalsContact OD1-N 3.16Å; W207-F299 HydrophobicContact CB-CB 4.08Å; W207-F299 HydrophobicContact CD2-CB 3.54Å; W207-F299 AromaticContact CD2-CD1 3.99Å; W207-F299 HydrophobicContact CD2-CD1 3.99Å; W207-F299 HydrophobicContact CD2-CD2 4.41Å; W207-F299 AromaticContact CD2-CG 3.76Å; W207-F299 HydrophobicContact CD2-CG 3.76Å; W207-F299 AromaticContact CE2-CD1 3.68Å; W207-F299 AromaticContact CE2-CG 3.72Å; W207-F299 HydrophobicContact CE3-CB 3.63Å; W207-F299 HydrophobicContact CE3-CD1 4.07Å; W207-F299 HydrophobicContact CE3-CG 4.09Å; W207-F299 HydrophobicContact CG-CB 3.75Å; W207-F299 HydrophobicContact CG-CD2 4.43Å; W207-F299 HydrophobicContact CG-CG 4.12Å; W207-F299 AromaticContact CH2-CD1 3.69Å; W207-F299 HydrophobicContact CH2-CD1 3.69Å; W207-F299 HydrophobicContact CH2-CE1 4.1Å; W207-F299 HydrophobicContact CH2-CG 4.44Å; W207-F299 AromaticContact CZ2-CD1 3.54Å; W207-F299 HydrophobicContact CZ2-CD1 3.54Å; W207-F299 AromaticContact CZ2-CE1 3.72Å; W207-F299 HydrophobicContact CZ2-CE1 3.72Å; W207-F299 HydrophobicContact CZ2-CG 4.1Å; W207-F299 HydrophobicContact CZ2-CZ 4.38Å; W207-F299 HydrophobicContact CZ3-CB 4.25Å; W207-F299 AromaticContact CZ3-CD1 3.93Å; W207-F299 HydrophobicContact CZ3-CD1 3.93Å; W207-F299 HydrophobicContact CZ3-CG 4.41Å; W207-F299 AromaticContact NE1-CD2 3.95Å; W207-F299 AromaticContact NE1-CG 3.98Å; A216-F299 HydrophobicContact CB-CE2 4.06Å; A216-F299 HydrophobicContact CB-CZ 4.44Å; A216-F299 WeakPolarHBondContact O-CE2 3.49Å; F218-F299 HydrophobicContact CB-CZ 4.45Å; F218-F299 AromaticContact CD2-CD1 3.63Å; F218-F299 HydrophobicContact CD2-CD1 3.63Å; F218-F299 HydrophobicContact CD2-CD2 4.47Å; F218-F299 AromaticContact CD2-CE1 3.73Å; F218-F299 HydrophobicContact CD2-CE1 3.73Å; F218-F299 HydrophobicContact CD2-CG 4.02Å; F218-F299 HydrophobicContact CD2-CZ 4.22Å; F218-F299 AromaticContact CE2-CD1 3.97Å; F218-F299 HydrophobicContact CE2-CD1 3.97Å; F218-F299 HydrophobicContact CE2-CE1 4.22Å; L222-F299 HydrophobicContact CB-CE1 4.05Å; L222-F299 HydrophobicContact CB-CZ 4.11Å; L222-F299 HydrophobicContact CD1-CZ 4.48Å; A223-F299 HydrophobicContact CB-CD1 4.16Å; A223-F299 HydrophobicContact CB-CE1 4.13Å; N297-F299 VanDerWaalsContact C-N 3.26Å; N297-F299 PolarHBondContact O-N 2.79Å; F299-W301 VanDerWaalsContact C-N 3.27Å; F299-W301 PolarHBondContact O-N 2.99Å; F299-Y302 PolarHBondContact O-N 3.44Å; F299-L303 WeakPolarHBondContact O-CG 3.45Å; F299-L303 PolarHBondContact O-N 2.94Å
300	D	98.8	Very high	98.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.7	-37.1	175.8	-71.1	6.2	0	0	0	111.1	P157 N204 L205 L206 W207 N297 L303 Y304	P157-D300 HydrophobicContact CB-CB 3.91Å; N204-D300 VanDerWaalsContact C-OD1 3.24Å; N204-D300 VanDerWaalsContact C-OD2 3.25Å; N204-D300 VanDerWaalsContact CA-CG 3.48Å; N204-D300 WeakPolarHBondContact CA-OD1 3.48Å; N204-D300 WeakPolarHBondContact CA-OD2 3.44Å; N204-D300 PolarHBondContact OD1-N 2.88Å; L205-D300 PolarHBondContact N-OD2 3.08Å; L206-D300 HydrophobicContact CB-CB 4.44Å; L206-D300 WeakPolarHBondContact CB-OD1 3.22Å; L206-D300 HydrophobicContact CD1-CB 4.32Å; L206-D300 PolarHBondContact N-OD1 3.49Å; L206-D300 PolarHBondContact N-OD2 3.27Å; W207-D300 WeakPolarHBondContact CB-OD1 3.35Å; W207-D300 PolarHBondContact N-OD1 3.35Å; N297-D300 HydrophobicContact CB-CB 4.25Å; N297-D300 PolarHBondContact O-N 3.27Å; N297-D300 VanDerWaalsContact O-N 3.08Å; D300-L303 PolarHBondContact O-N 2.61Å; D300-Y304 VanDerWaalsContact O-CB 3.31Å; D300-Y304 WeakPolarHBondContact O-CB 3.33Å; D300-Y304 PolarHBondContact O-N 2.84Å
301	W	98.8	Very high	98.4	Very high	60 Å²	60	39.1 Å²	39.1	23%	0.227	18%	0.177	C	C	.	.	H	α-helix	trans	-65.2	-42	175.3	179.5	-129.5	0	0	0	112.8	P157 R294 N297 F299 Y304 K305	P157-W301 HydrophobicContact CG-CB 4.09Å; P157-W301 HydrophobicContact CG-CE3 3.75Å; R294-W301 HydrophobicContact CB-CB 4.45Å; R294-W301 HydrophobicContact CB-CD2 4.34Å; R294-W301 HydrophobicContact CB-CG 4.12Å; R294-W301 HydrophobicContact CG-CD2 4.11Å; R294-W301 HydrophobicContact CG-CE3 4.22Å; R294-W301 HydrophobicContact CG-CG 4.38Å; N297-W301 PolarHBondContact O-N 3.01Å; F299-W301 VanDerWaalsContact C-N 3.27Å; F299-W301 PolarHBondContact O-N 2.99Å; W301-Y304 HydrophobicContact CE3-CD1 4.02Å; W301-Y304 AromaticContact CZ3-CD1 3.65Å; W301-Y304 HydrophobicContact CZ3-CD1 3.65Å; W301-Y304 HydrophobicContact CZ3-CE1 4.12Å; W301-Y304 PolarHBondContact O-N 2.75Å; W301-K305 HydrophobicContact CD2-CD 4.36Å; W301-K305 HydrophobicContact CD2-CG 4.09Å; W301-K305 HydrophobicContact CE3-CG 4.26Å; W301-K305 HydrophobicContact CH2-CD 4.26Å; W301-K305 HydrophobicContact CH2-CG 3.95Å; W301-K305 HydrophobicContact CZ2-CD 3.6Å; W301-K305 HydrophobicContact CZ2-CG 3.76Å; W301-K305 HydrophobicContact CZ3-CG 4.21Å; W301-K305 PolarHBondContact O-N 3.36Å
302	Y	98.9	Very high	98.4	Very high	38 Å²	38	39.8 Å²	39.8	15%	0.149	18%	0.177	C	C	.	.	H	α-helix	trans	-61.1	-48.6	173.8	-179.4	-83.4	0	0	0	111.4	F218 L220 A223 R224 E227 A298 F299 Y304 K305 T306	F218-Y302 HydrophobicContact CE2-CG 4.48Å; F218-Y302 HydrophobicContact CZ-CD2 4.25Å; L220-Y302 HydrophobicContact CD1-CD2 4.39Å; L220-Y302 HydrophobicContact CD1-CE2 3.62Å; A223-Y302 HydrophobicContact CB-CD1 3.78Å; A223-Y302 HydrophobicContact CB-CD2 4Å; A223-Y302 HydrophobicContact CB-CE1 3.99Å; A223-Y302 HydrophobicContact CB-CE2 4.17Å; A223-Y302 HydrophobicContact CB-CG 3.81Å; R224-Y302 WeakPolarHBondContact CG-OH 3.47Å; E227-Y302 HydrophobicContact CB-CE1 4.05Å; E227-Y302 HydrophobicContact CG-CE1 4.47Å; E227-Y302 WeakPolarHBondContact OE2-CE1 3.47Å; E227-Y302 PolarHBondContact OE2-OH 3.3Å; A298-Y302 WeakPolarHBondContact O-CB 3.36Å; A298-Y302 PolarHBondContact O-N 3.14Å; F299-Y302 PolarHBondContact O-N 3.44Å; Y302-Y304 PolarHBondContact O-N 2.99Å; Y302-K305 PolarHBondContact O-N 3.43Å; Y302-T306 WeakPolarHBondContact O-CB 3.32Å; Y302-T306 PolarHBondContact O-N 2.71Å; Y302-T306 VanDerWaalsContact O-N 3.13Å; Y302-T306 PolarHBondContact O-OG1 3.15Å
303	L	98.6	Very high	98.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-58.1	-48.2	176.4	-71.9	-172.7	0	0	0	111.3	W207 F210 I230 F299 D300 K305 T306 F307	W207-L303 HydrophobicContact CE3-CD1 3.53Å; W207-L303 HydrophobicContact CE3-CD2 4.08Å; W207-L303 HydrophobicContact CE3-CG 3.69Å; W207-L303 HydrophobicContact CZ3-CD1 4.04Å; W207-L303 HydrophobicContact CZ3-CD2 3.69Å; W207-L303 HydrophobicContact CZ3-CG 3.77Å; F210-L303 HydrophobicContact CD2-CD1 4Å; F210-L303 HydrophobicContact CE2-CD1 4.24Å; I230-L303 HydrophobicContact CD1-CD1 3.86Å; I230-L303 HydrophobicContact CD1-CD2 3.65Å; I230-L303 HydrophobicContact CD1-CG 4.44Å; F299-L303 WeakPolarHBondContact O-CG 3.45Å; F299-L303 PolarHBondContact O-N 2.94Å; D300-L303 PolarHBondContact O-N 2.61Å; L303-K305 PolarHBondContact O-N 3.49Å; L303-T306 PolarHBondContact O-N 2.72Å; L303-F307 HydrophobicContact CB-CD2 4.43Å; L303-F307 HydrophobicContact CD2-CD2 4.37Å; L303-F307 HydrophobicContact CD2-CE2 3.94Å; L303-F307 WeakPolarHBondContact O-CD2 3.26Å; L303-F307 PolarHBondContact O-N 3.39Å
304	Y	98.8	Very high	98.2	Very high	21 Å²	21	44.1 Å²	44.1	8%	0.082	20%	0.198	C	C	.	.	H	α-helix	trans	-60.3	-48.8	-178.3	179.4	-98.2	0	0	0	112.1	I154 R155 D156 V239 E241 D300 W301 Y302 T306 F307 N308	I154-Y304 HydrophobicContact CD1-CD2 4.13Å; R155-Y304 VanDerWaalsContact C-CD2 3.42Å; D156-Y304 VanDerWaalsContact CA-CE2 3.47Å; D156-Y304 HydrophobicContact CB-CD2 4.45Å; D156-Y304 HydrophobicContact CB-CE1 4.18Å; D156-Y304 HydrophobicContact CB-CE2 3.93Å; V239-Y304 HydrophobicContact CG1-CE2 4.27Å; E241-Y304 WeakPolarHBondContact OE1-CE2 3.29Å; E241-Y304 VanDerWaalsContact OE1-CZ 3.29Å; E241-Y304 PolarHBondContact OE1-OH 3.39Å; D300-Y304 VanDerWaalsContact O-CB 3.31Å; D300-Y304 WeakPolarHBondContact O-CB 3.33Å; D300-Y304 PolarHBondContact O-N 2.84Å; W301-Y304 HydrophobicContact CE3-CD1 4.02Å; W301-Y304 AromaticContact CZ3-CD1 3.65Å; W301-Y304 HydrophobicContact CZ3-CD1 3.65Å; W301-Y304 HydrophobicContact CZ3-CE1 4.12Å; W301-Y304 PolarHBondContact O-N 2.75Å; Y302-Y304 PolarHBondContact O-N 2.99Å; Y304-T306 VanDerWaalsContact C-N 3.28Å; Y304-T306 PolarHBondContact O-N 3.32Å; Y304-F307 PolarHBondContact O-N 2.87Å; Y304-N308 HydrophobicContact CE1-CB 4.42Å; Y304-N308 WeakPolarHBondContact O-CB 3.45Å; Y304-N308 PolarHBondContact O-N 3.17Å
305	K	98.6	Very high	98.2	Very high	111 Å²	111	41.2 Å²	41.2	48%	0.483	19%	0.187	S	C	.	.	H	α-helix	trans	-58	-43.7	177.8	-77	-164.7	-66.4	178	0	112.1	W301 Y302 L303 K309	W301-K305 HydrophobicContact CD2-CD 4.36Å; W301-K305 HydrophobicContact CD2-CG 4.09Å; W301-K305 HydrophobicContact CE3-CG 4.26Å; W301-K305 HydrophobicContact CH2-CD 4.26Å; W301-K305 HydrophobicContact CH2-CG 3.95Å; W301-K305 HydrophobicContact CZ2-CD 3.6Å; W301-K305 HydrophobicContact CZ2-CG 3.76Å; W301-K305 HydrophobicContact CZ3-CG 4.21Å; W301-K305 PolarHBondContact O-N 3.36Å; Y302-K305 PolarHBondContact O-N 3.43Å; L303-K305 PolarHBondContact O-N 3.49Å; K305-K309 WeakPolarHBondContact O-CB 3.14Å; K305-K309 PolarHBondContact O-N 2.57Å; K305-K309 VanDerWaalsContact O-N 3.16Å
306	T	97.8	Very high	98.2	Very high	24 Å²	24	39.7 Å²	39.7	15%	0.147	18%	0.183	C	C	.	.	H	α-helix	trans	-65.6	-53	-178.4	-54.6	0	0	0	0	111.2	E227 Y302 L303 Y304 K309 T310	E227-T306 HydrophobicContact CG-CG2 3.91Å; E227-T306 WeakPolarHBondContact OE1-CG2 3.47Å; Y302-T306 WeakPolarHBondContact O-CB 3.32Å; Y302-T306 PolarHBondContact O-N 2.71Å; Y302-T306 VanDerWaalsContact O-N 3.13Å; Y302-T306 PolarHBondContact O-OG1 3.15Å; L303-T306 PolarHBondContact O-N 2.72Å; Y304-T306 VanDerWaalsContact C-N 3.28Å; Y304-T306 PolarHBondContact O-N 3.32Å; T306-K309 WeakPolarHBondContact O-CB 3.38Å; T306-K309 PolarHBondContact O-N 3.08Å; T306-T310 PolarHBondContact O-N 3.44Å
307	F	98.3	Very high	98.1	Very high	7 Å²	7	45.8 Å²	45.8	3%	0.031	21%	0.21	C	C	.	.	H	α-helix	trans	-78.1	-24.5	-174.2	-74.3	-66.9	0	0	0	113.5	I154 E227 I230 R231 I237 L303 Y304 T310 F311	I154-F307 HydrophobicContact CD1-CB 3.53Å; E227-F307 HydrophobicContact CG-CZ 4.45Å; I230-F307 HydrophobicContact CB-CE2 4.18Å; I230-F307 HydrophobicContact CB-CZ 3.86Å; I230-F307 HydrophobicContact CD1-CE2 4.36Å; I230-F307 HydrophobicContact CG2-CE1 4.16Å; I230-F307 HydrophobicContact CG2-CE2 3.71Å; I230-F307 HydrophobicContact CG2-CZ 3.36Å; R231-F307 HydrophobicContact CG-CE1 3.93Å; R231-F307 HydrophobicContact CG-CZ 3.94Å; I237-F307 HydrophobicContact CB-CB 4.46Å; I237-F307 HydrophobicContact CB-CD1 3.94Å; I237-F307 HydrophobicContact CB-CG 4.28Å; I237-F307 HydrophobicContact CG1-CD1 3.7Å; I237-F307 HydrophobicContact CG1-CE1 3.78Å; I237-F307 HydrophobicContact CG1-CG 4.25Å; I237-F307 HydrophobicContact CG1-CZ 4.4Å; I237-F307 HydrophobicContact CG2-CB 3.97Å; I237-F307 HydrophobicContact CG2-CD1 4.23Å; I237-F307 HydrophobicContact CG2-CG 4.05Å; L303-F307 HydrophobicContact CB-CD2 4.43Å; L303-F307 HydrophobicContact CD2-CD2 4.37Å; L303-F307 HydrophobicContact CD2-CE2 3.94Å; L303-F307 WeakPolarHBondContact O-CD2 3.26Å; L303-F307 PolarHBondContact O-N 3.39Å; Y304-F307 PolarHBondContact O-N 2.87Å; F307-T310 VanDerWaalsContact CA-OG1 3.31Å; F307-T310 WeakPolarHBondContact CA-OG1 3.32Å; F307-T310 PolarHBondContact O-OG1 3.23Å; F307-F311 WeakPolarHBondContact O-CB 3.15Å; F307-F311 PolarHBondContact O-N 2.85Å
308	N	98.3	Very high	98.1	Very high	30 Å²	30	47.8 Å²	47.8	16%	0.16	22%	0.219	C	C	.	.	H	α-helix	trans	-65.5	-42.6	167.4	-173.5	18.3	0	0	0	110.6	Y304 F311 W312	Y304-N308 HydrophobicContact CE1-CB 4.42Å; Y304-N308 WeakPolarHBondContact O-CB 3.45Å; Y304-N308 PolarHBondContact O-N 3.17Å; N308-F311 WeakPolarHBondContact O-CB 3.36Å; N308-F311 PolarHBondContact O-N 3.25Å; N308-W312 PolarHBondContact O-N 2.92Å; N308-W312 PolarHBondContact OD1-NE1 3.44Å
309	K	97.9	Very high	98	Very high	137 Å²	137	48 Å²	48	60%	0.596	22%	0.223	S	C	*	.	H	α-helix	trans	-59.4	-51.1	173.9	-177.1	-175.3	176.1	-166.7	0	111.3	K305 T306 F311 W312 E313	K305-K309 WeakPolarHBondContact O-CB 3.14Å; K305-K309 PolarHBondContact O-N 2.57Å; K305-K309 VanDerWaalsContact O-N 3.16Å; T306-K309 WeakPolarHBondContact O-CB 3.38Å; T306-K309 PolarHBondContact O-N 3.08Å; K309-F311 VanDerWaalsContact C-N 3.25Å; K309-F311 PolarHBondContact O-N 3.35Å; K309-W312 PolarHBondContact O-N 3.3Å; K309-E313 WeakPolarHBondContact CE-OE1 3.25Å; K309-E313 IonicContact NZ-OE1 3.85Å; K309-E313 WeakPolarHBondContact O-CG 3.43Å; K309-E313 PolarHBondContact O-N 3.47Å; K309-E313 VanDerWaalsContact O-N 3.08Å
310	T	95.8	Very high	98	Very high	19 Å²	19	52.2 Å²	52.2	12%	0.117	24%	0.242	C	C	.	.	H	α-helix	trans	-64.1	-32.3	178.9	56.9	0	0	0	0	112.9	T306 F307 W312 E313 E314	T306-T310 PolarHBondContact O-N 3.44Å; F307-T310 VanDerWaalsContact CA-OG1 3.31Å; F307-T310 WeakPolarHBondContact CA-OG1 3.32Å; F307-T310 PolarHBondContact O-OG1 3.23Å; T310-W312 VanDerWaalsContact C-N 3.31Å; T310-W312 PolarHBondContact O-N 2.94Å; T310-E313 WeakPolarHBondContact O-CB 3.3Å; T310-E313 PolarHBondContact O-N 3.24Å; T310-E314 WeakPolarHBondContact O-CG 3.19Å; T310-E314 PolarHBondContact O-N 3.22Å
311	F	98.1	Very high	98	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.018	27%	0.272	C	S	.	.	H	α-helix	trans	-60.7	-42.5	176.1	174.3	-95.4	0	0	0	111.5	V239 Y242 Q245 S246 L249 F307 N308 K309 E314 I315	V239-F311 HydrophobicContact CB-CD1 4.47Å; V239-F311 HydrophobicContact CB-CD2 4.33Å; V239-F311 HydrophobicContact CB-CE2 4.47Å; V239-F311 HydrophobicContact CB-CG 4.32Å; V239-F311 HydrophobicContact CG2-CB 3.8Å; V239-F311 HydrophobicContact CG2-CD1 4.16Å; V239-F311 HydrophobicContact CG2-CD2 3.83Å; V239-F311 HydrophobicContact CG2-CE2 4.45Å; V239-F311 HydrophobicContact CG2-CG 3.66Å; Y242-F311 VanDerWaalsContact CB-CE1 3.48Å; Y242-F311 AromaticContact CD2-CD1 3.97Å; Y242-F311 HydrophobicContact CD2-CD1 3.97Å; Y242-F311 AromaticContact CD2-CE1 3.58Å; Y242-F311 HydrophobicContact CD2-CE1 3.58Å; Y242-F311 HydrophobicContact CD2-CZ 4.39Å; Y242-F311 AromaticContact CG-CE1 3.74Å; Y242-F311 HydrophobicContact CG-CE1 3.74Å; Y242-F311 HydrophobicContact CG-CZ 4.32Å; Q245-F311 HydrophobicContact CB-CZ 3.87Å; S246-F311 WeakPolarHBondContact OG-CE2 3.37Å; L249-F311 HydrophobicContact CD1-CD2 3.99Å; L249-F311 HydrophobicContact CD1-CE2 3.67Å; L249-F311 HydrophobicContact CD1-CZ 4.4Å; F307-F311 WeakPolarHBondContact O-CB 3.15Å; F307-F311 PolarHBondContact O-N 2.85Å; N308-F311 WeakPolarHBondContact O-CB 3.36Å; N308-F311 PolarHBondContact O-N 3.25Å; K309-F311 VanDerWaalsContact C-N 3.25Å; K309-F311 PolarHBondContact O-N 3.35Å; F311-E314 PolarHBondContact O-N 2.79Å; F311-I315 HydrophobicContact CD1-CD1 3.94Å; F311-I315 HydrophobicContact CE1-CD1 3.32Å; F311-I315 HydrophobicContact CE1-CG1 4.3Å; F311-I315 HydrophobicContact CZ-CD1 3.73Å; F311-I315 HydrophobicContact CZ-CG1 4.47Å; F311-I315 PolarHBondContact O-N 3.09Å
312	W	98.2	Very high	97.9	Very high	88 Å²	88	56.2 Å²	56.2	33%	0.333	28%	0.277	S	S	.	.	H	α-helix	trans	-69	-36.3	174.3	-73.5	109.3	0	0	0	112.7	Y242 N308 K309 T310 E314 I315 D316	Y242-W312 HydrophobicContact CD1-CH2 4.4Å; Y242-W312 AromaticContact CD1-CZ2 3.94Å; Y242-W312 HydrophobicContact CD1-CZ2 3.94Å; Y242-W312 HydrophobicContact CD2-CZ2 4.28Å; Y242-W312 HydrophobicContact CE1-CH2 4.24Å; Y242-W312 AromaticContact CE1-CZ2 3.51Å; Y242-W312 HydrophobicContact CE1-CZ2 3.51Å; Y242-W312 AromaticContact CE2-CZ2 3.89Å; Y242-W312 HydrophobicContact CE2-CZ2 3.89Å; Y242-W312 AromaticContact CE2-NE1 3.69Å; Y242-W312 HydrophobicContact CG-CZ2 4.31Å; Y242-W312 AromaticContact CZ-CE2 3.99Å; Y242-W312 AromaticContact CZ-CZ2 3.48Å; Y242-W312 VanDerWaalsContact CZ-CZ2 3.48Å; Y242-W312 AromaticContact CZ-NE1 3.91Å; N308-W312 PolarHBondContact O-N 2.92Å; N308-W312 PolarHBondContact OD1-NE1 3.44Å; K309-W312 PolarHBondContact O-N 3.3Å; T310-W312 VanDerWaalsContact C-N 3.31Å; T310-W312 PolarHBondContact O-N 2.94Å; W312-E314 VanDerWaalsContact C-N 3.28Å; W312-E314 PolarHBondContact O-N 2.86Å; W312-I315 HydrophobicContact CD2-CD1 4.36Å; W312-I315 HydrophobicContact CE3-CB 4.21Å; W312-I315 HydrophobicContact CE3-CD1 3.68Å; W312-I315 HydrophobicContact CE3-CG1 4.49Å; W312-I315 HydrophobicContact CE3-CG2 4.27Å; W312-I315 HydrophobicContact CH2-CD1 4.36Å; W312-I315 HydrophobicContact CZ3-CD1 3.68Å; W312-I315 HydrophobicContact CZ3-CG2 4.32Å; W312-I315 PolarHBondContact O-N 3.33Å; W312-I315 VanDerWaalsContact O-N 3.13Å; W312-D316 VanDerWaalsContact O-CG 3.26Å; W312-D316 PolarHBondContact O-N 3.21Å
313	E	97.6	Very high	97.9	Very high	70 Å²	70	54.7 Å²	54.7	33%	0.327	27%	0.271	S	S	.	.	H	α-helix	trans	-60.6	-36.9	171.3	-65.4	167.1	178	0	0	111.9	K309 T310 D316 K317	K309-E313 WeakPolarHBondContact CE-OE1 3.25Å; K309-E313 IonicContact NZ-OE1 3.85Å; K309-E313 WeakPolarHBondContact O-CG 3.43Å; K309-E313 PolarHBondContact O-N 3.47Å; K309-E313 VanDerWaalsContact O-N 3.08Å; T310-E313 WeakPolarHBondContact O-CB 3.3Å; T310-E313 PolarHBondContact O-N 3.24Å; E313-D316 PolarHBondContact O-N 2.92Å; E313-K317 VanDerWaalsContact O-CG 3.32Å; E313-K317 WeakPolarHBondContact O-CG 3.49Å; E313-K317 PolarHBondContact O-N 3.16Å; E313-K317 VanDerWaalsContact O-N 3.08Å
314	E	96.9	Very high	97.9	Very high	76 Å²	76	60.1 Å²	60.1	36%	0.355	30%	0.296	S	S	.	.	H	α-helix	trans	-68.8	-36.6	173.5	-68.3	-54.1	126.6	0	0	112.2	L249 T310 F311 W312 K317 F318	L249-E314 HydrophobicContact CD1-CB 4.25Å; T310-E314 WeakPolarHBondContact O-CG 3.19Å; T310-E314 PolarHBondContact O-N 3.22Å; F311-E314 PolarHBondContact O-N 2.79Å; W312-E314 VanDerWaalsContact C-N 3.28Å; W312-E314 PolarHBondContact O-N 2.86Å; E314-K317 PolarHBondContact O-N 2.87Å; E314-K317 IonicContact OE1-NZ 2.89Å; E314-K317 PolarHBondContact OE1-NZ 2.82Å; E314-F318 VanDerWaalsContact O-CB 3.3Å; E314-F318 WeakPolarHBondContact O-CB 3.46Å; E314-F318 PolarHBondContact O-N 3.41Å
315	I	97.9	Very high	97.8	Very high	2 Å²	2	64.1 Å²	64.1	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-65.3	-40.8	172.3	-69.5	176.3	0	0	0	111.1	Q245 L249 F311 W312 K317 F318 G319 M323	Q245-I315 HydrophobicContact CB-CD1 4.18Å; Q245-I315 HydrophobicContact CG-CD1 4.25Å; L249-I315 HydrophobicContact CD1-CG1 4.38Å; F311-I315 HydrophobicContact CD1-CD1 3.94Å; F311-I315 HydrophobicContact CE1-CD1 3.32Å; F311-I315 HydrophobicContact CE1-CG1 4.3Å; F311-I315 HydrophobicContact CZ-CD1 3.73Å; F311-I315 HydrophobicContact CZ-CG1 4.47Å; F311-I315 PolarHBondContact O-N 3.09Å; W312-I315 HydrophobicContact CD2-CD1 4.36Å; W312-I315 HydrophobicContact CE3-CB 4.21Å; W312-I315 HydrophobicContact CE3-CD1 3.68Å; W312-I315 HydrophobicContact CE3-CG1 4.49Å; W312-I315 HydrophobicContact CE3-CG2 4.27Å; W312-I315 HydrophobicContact CH2-CD1 4.36Å; W312-I315 HydrophobicContact CZ3-CD1 3.68Å; W312-I315 HydrophobicContact CZ3-CG2 4.32Å; W312-I315 PolarHBondContact O-N 3.33Å; W312-I315 VanDerWaalsContact O-N 3.13Å; I315-K317 VanDerWaalsContact C-N 3.33Å; I315-K317 PolarHBondContact O-N 3.17Å; I315-F318 PolarHBondContact O-N 2.76Å; I315-G319 PolarHBondContact O-N 2.92Å; I315-M323 HydrophobicContact CG1-CE 4.22Å; I315-M323 HydrophobicContact CG2-CG 4.38Å
316	D	98.3	Very high	97.8	Very high	96 Å²	96	58.9 Å²	58.9	51%	0.513	29%	0.291	S	S	.	.	H	α-helix	trans	-60	-44.8	176.9	-68.3	-26.9	0	0	0	110.8	W312 E313 G319 H320	W312-D316 VanDerWaalsContact O-CG 3.26Å; W312-D316 PolarHBondContact O-N 3.21Å; E313-D316 PolarHBondContact O-N 2.92Å; D316-G319 PolarHBondContact O-N 3.29Å; D316-H320 IonicContact OD1-CD2 2.67Å; D316-H320 IonicContact OD1-CE1 3.48Å; D316-H320 IonicContact OD1-NE2 2.74Å; D316-H320 PolarHBondContact OD1-NE2 3.24Å
317	K	97.3	Very high	97.9	Very high	151 Å²	151	58 Å²	58	66%	0.657	29%	0.286	S	S	*	.	H	α-helix	trans	-64.6	-40.6	175.1	-68.9	170.9	-165	168.1	0	112.7	E313 E314 I315 G319	E313-K317 VanDerWaalsContact O-CG 3.32Å; E313-K317 WeakPolarHBondContact O-CG 3.49Å; E313-K317 PolarHBondContact O-N 3.16Å; E313-K317 VanDerWaalsContact O-N 3.08Å; E314-K317 PolarHBondContact O-N 2.87Å; E314-K317 IonicContact OE1-NZ 2.89Å; E314-K317 PolarHBondContact OE1-NZ 2.82Å; I315-K317 VanDerWaalsContact C-N 3.33Å; I315-K317 PolarHBondContact O-N 3.17Å; K317-G319 VanDerWaalsContact C-N 3.28Å
318	F	96.9	Very high	97.9	Very high	47 Å²	47	63.8 Å²	63.8	21%	0.206	31%	0.308	C	S	.	.	H	α-helix	trans	-67.6	-31.6	177.5	-172.6	-89.7	0	0	0	112.1	I248 L249 H252 E314 I315 Q322 M323	I248-F318 HydrophobicContact CG2-CE1 4.1Å; I248-F318 HydrophobicContact CG2-CE2 4.43Å; I248-F318 HydrophobicContact CG2-CZ 3.76Å; L249-F318 HydrophobicContact CD2-CB 4.23Å; L249-F318 HydrophobicContact CD2-CD2 4.15Å; L249-F318 HydrophobicContact CD2-CG 4.24Å; H252-F318 HydrophobicContact CB-CE2 4.35Å; H252-F318 AromaticContact CD2-CE2 3.45Å; H252-F318 VanDerWaalsContact CD2-CE2 3.45Å; H252-F318 WeakPolarHBondContact CD2-CE2 3.45Å; H252-F318 AromaticContact CD2-CZ 3.69Å; H252-F318 AromaticContact CE1-CE2 3.72Å; H252-F318 AromaticContact CE1-CZ 3.9Å; H252-F318 AromaticContact CG-CE2 3.65Å; H252-F318 AromaticContact ND1-CE2 3.84Å; H252-F318 AromaticContact NE2-CE2 3.5Å; H252-F318 AromaticContact NE2-CZ 3.4Å; H252-F318 WeakPolarHBondContact NE2-CZ 3.44Å; E314-F318 VanDerWaalsContact O-CB 3.3Å; E314-F318 WeakPolarHBondContact O-CB 3.46Å; E314-F318 PolarHBondContact O-N 3.41Å; I315-F318 PolarHBondContact O-N 2.76Å; F318-Q322 HydrophobicContact CD1-CB 4.41Å; F318-Q322 HydrophobicContact CD1-CG 4.38Å; F318-Q322 HydrophobicContact CE1-CB 4.05Å; F318-Q322 HydrophobicContact CE1-CG 3.63Å; F318-Q322 HydrophobicContact CZ-CG 4.04Å; F318-M323 HydrophobicContact CB-CE 4.42Å; F318-M323 HydrophobicContact CD1-CB 3.85Å; F318-M323 HydrophobicContact CD1-CE 3.6Å; F318-M323 HydrophobicContact CE1-CB 4.1Å; F318-M323 HydrophobicContact CE1-CE 3.91Å; F318-M323 HydrophobicContact CE1-SD 4.49Å; F318-M323 HydrophobicContact CG-CE 3.94Å
319	G	98.2	Very high	97.9	Very high	25 Å²	25	64.9 Å²	64.9	26%	0.258	31%	0.313	S	S	.	.			trans	94.3	121.4	-177	0	0	0	0	0	112.4	I315 D316 K317 A321 Q322 M323	I315-G319 PolarHBondContact O-N 2.92Å; D316-G319 PolarHBondContact O-N 3.29Å; K317-G319 VanDerWaalsContact C-N 3.28Å; G319-A321 PolarHBondContact O-N 2.92Å; G319-Q322 PolarHBondContact O-N 2.85Å; G319-M323 WeakPolarHBondContact O-CB 3.34Å; G319-M323 PolarHBondContact O-N 2.79Å
320	H	98.2	Very high	97.9	Very high	90 Å²	90	58.3 Å²	58.3	42%	0.417	29%	0.285	S	S	.	.	H	α-helix	trans	-56.9	-46.5	-177.8	-74.9	-90	0	0	0	113.3	D316 Q322 M323 E324	D316-H320 IonicContact OD1-CD2 2.67Å; D316-H320 IonicContact OD1-CE1 3.48Å; D316-H320 IonicContact OD1-NE2 2.74Å; D316-H320 PolarHBondContact OD1-NE2 3.24Å; H320-Q322 VanDerWaalsContact C-N 3.34Å; H320-Q322 PolarHBondContact O-N 2.89Å; H320-M323 WeakPolarHBondContact O-CB 3.44Å; H320-M323 PolarHBondContact O-N 3.3Å; H320-E324 WeakPolarHBondContact O-CG 3.49Å; H320-E324 PolarHBondContact O-N 3.28Å
321	A	98.3	Very high	97.9	Very high	77 Å²	77	62.4 Å²	62.4	64%	0.636	30%	0.298	S	S	*	.	H	α-helix	trans	-63.2	-39.7	-178.6	0	0	0	0	0	112.6	G319 K325	G319-A321 PolarHBondContact O-N 2.92Å; A321-K325 WeakPolarHBondContact O-CB 3.32Å; A321-K325 PolarHBondContact O-N 3.44Å; A321-K325 VanDerWaalsContact O-N 3.14Å
322	Q	97.5	Very high	97.9	Very high	68 Å²	68	66.8 Å²	66.8	32%	0.318	32%	0.32	S	S	.	.	H	α-helix	trans	-69.4	-42.5	175.6	-177.8	63.1	21.1	0	0	110.7	F318 G319 H320 E324 K325 E326	F318-Q322 HydrophobicContact CD1-CB 4.41Å; F318-Q322 HydrophobicContact CD1-CG 4.38Å; F318-Q322 HydrophobicContact CE1-CB 4.05Å; F318-Q322 HydrophobicContact CE1-CG 3.63Å; F318-Q322 HydrophobicContact CZ-CG 4.04Å; G319-Q322 PolarHBondContact O-N 2.85Å; H320-Q322 VanDerWaalsContact C-N 3.34Å; H320-Q322 PolarHBondContact O-N 2.89Å; Q322-E324 PolarHBondContact O-N 3.39Å; Q322-K325 WeakPolarHBondContact O-CB 3.33Å; Q322-K325 PolarHBondContact O-N 3.4Å; Q322-E326 PolarHBondContact NE2-OE1 2.96Å; Q322-E326 PolarHBondContact O-N 2.81Å
323	M	98.3	Very high	97.8	Very high	6 Å²	6	63.2 Å²	63.2	3%	0.03	31%	0.306	C	S	.	.	H	α-helix	trans	-56.9	-49.9	176.2	-179	54.5	70.9	0	0	111.2	Q245 I248 L249 I315 F318 G319 H320 K325 E326 V327	Q245-M323 HydrophobicContact CB-CG 4.48Å; Q245-M323 HydrophobicContact CB-SD 3.9Å; Q245-M323 HydrophobicContact CG-CG 3.96Å; Q245-M323 HydrophobicContact CG-SD 3.95Å; I248-M323 HydrophobicContact CB-CE 4.23Å; I248-M323 HydrophobicContact CB-SD 3.77Å; I248-M323 HydrophobicContact CG1-SD 4.25Å; I248-M323 HydrophobicContact CG2-CE 3.97Å; I248-M323 HydrophobicContact CG2-SD 3.78Å; L249-M323 HydrophobicContact CD2-CE 3.58Å; L249-M323 HydrophobicContact CG-CE 3.78Å; I315-M323 HydrophobicContact CG1-CE 4.22Å; I315-M323 HydrophobicContact CG2-CG 4.38Å; F318-M323 HydrophobicContact CB-CE 4.42Å; F318-M323 HydrophobicContact CD1-CB 3.85Å; F318-M323 HydrophobicContact CD1-CE 3.6Å; F318-M323 HydrophobicContact CE1-CB 4.1Å; F318-M323 HydrophobicContact CE1-CE 3.91Å; F318-M323 HydrophobicContact CE1-SD 4.49Å; F318-M323 HydrophobicContact CG-CE 3.94Å; G319-M323 WeakPolarHBondContact O-CB 3.34Å; G319-M323 PolarHBondContact O-N 2.79Å; H320-M323 WeakPolarHBondContact O-CB 3.44Å; H320-M323 PolarHBondContact O-N 3.3Å; M323-K325 VanDerWaalsContact C-N 3.32Å; M323-K325 PolarHBondContact O-N 3.39Å; M323-E326 PolarHBondContact O-N 3.37Å; M323-V327 HydrophobicContact CG-CG2 4.44Å; M323-V327 WeakPolarHBondContact O-CB 3.48Å; M323-V327 VanDerWaalsContact O-CG2 3.3Å; M323-V327 WeakPolarHBondContact O-CG2 3.43Å; M323-V327 PolarHBondContact O-N 2.93Å; M323-V327 HydrophobicContact SD-CG2 3.95Å
324	E	98.4	Very high	97.7	Very high	114 Å²	114	62.6 Å²	62.6	53%	0.533	30%	0.301	S	S	.	.	H	α-helix	trans	-60.9	-41.2	177.9	-72.2	-175.9	177.1	0	0	112.6	H320 Q322 R328	H320-E324 WeakPolarHBondContact O-CG 3.49Å; H320-E324 PolarHBondContact O-N 3.28Å; Q322-E324 PolarHBondContact O-N 3.39Å; E324-R328 WeakPolarHBondContact O-CG 3.4Å; E324-R328 PolarHBondContact O-N 2.87Å; E324-R328 IonicContact OE2-NH1 3.54Å
325	K	98.3	Very high	97.7	Very high	105 Å²	105	64.2 Å²	64.2	46%	0.457	31%	0.309	S	S	.	.	H	α-helix	trans	-60.9	-48.7	176.8	-179.1	-176.9	175.5	-177.3	0	111.4	A321 Q322 M323 R328 L329	A321-K325 WeakPolarHBondContact O-CB 3.32Å; A321-K325 PolarHBondContact O-N 3.44Å; A321-K325 VanDerWaalsContact O-N 3.14Å; Q322-K325 WeakPolarHBondContact O-CB 3.33Å; Q322-K325 PolarHBondContact O-N 3.4Å; M323-K325 VanDerWaalsContact C-N 3.32Å; M323-K325 PolarHBondContact O-N 3.39Å; K325-R328 PolarHBondContact O-N 3.4Å; K325-L329 WeakPolarHBondContact O-CG 3.1Å; K325-L329 PolarHBondContact O-N 3Å; K325-L329 VanDerWaalsContact O-N 3.07Å
326	E	98.3	Very high	97.5	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-69.2	-37.3	-179.8	-69.5	-157.7	-150.8	0	0	112.9	P57 I248 R251 H252 Q322 M323 R328 L329 L330	P57-E326 HydrophobicContact CG-CG 4.07Å; I248-E326 HydrophobicContact CD1-CB 3.84Å; I248-E326 HydrophobicContact CG1-CB 4Å; I248-E326 HydrophobicContact CG2-CB 3.8Å; R251-E326 IonicContact CZ-OE2 3.33Å; R251-E326 IonicContact NH1-OE1 3.59Å; R251-E326 IonicContact NH1-OE2 3.65Å; R251-E326 PolarHBondContact NH1-OE2 2.8Å; H252-E326 IonicContact CD2-OE2 3.25Å; H252-E326 IonicContact CE1-OE1 3.87Å; H252-E326 PolarHBondContact CE1-OE1 3.37Å; H252-E326 VanDerWaalsContact NE2-CD 3.25Å; H252-E326 IonicContact NE2-OE1 3.73Å; H252-E326 PolarHBondContact NE2-OE1 2.92Å; H252-E326 IonicContact NE2-OE2 3.77Å; H252-E326 PolarHBondContact NE2-OE2 3.43Å; Q322-E326 PolarHBondContact NE2-OE1 2.96Å; Q322-E326 PolarHBondContact O-N 2.81Å; M323-E326 PolarHBondContact O-N 3.37Å; E326-R328 VanDerWaalsContact C-N 3.31Å; E326-R328 PolarHBondContact O-N 3.42Å; E326-L329 PolarHBondContact O-N 3.38Å; E326-L330 WeakPolarHBondContact O-CB 3.37Å; E326-L330 PolarHBondContact O-N 3.07Å
327	V	98.6	Very high	97.4	Very high	7 Å²	7	62 Å²	62	4%	0.042	30%	0.296	C	S	.	.	H	α-helix	trans	-60.7	-41.3	172.1	165.6	0	0	0	0	111	D244 Q245 I248 M323 L330 R331	D244-V327 HydrophobicContact CB-CG1 3.96Å; D244-V327 HydrophobicContact CB-CG2 4.31Å; Q245-V327 HydrophobicContact CG-CG2 4.08Å; I248-V327 HydrophobicContact CG1-CG2 3.83Å; M323-V327 HydrophobicContact CG-CG2 4.44Å; M323-V327 WeakPolarHBondContact O-CB 3.48Å; M323-V327 VanDerWaalsContact O-CG2 3.3Å; M323-V327 WeakPolarHBondContact O-CG2 3.43Å; M323-V327 PolarHBondContact O-N 2.93Å; M323-V327 HydrophobicContact SD-CG2 3.95Å; V327-L330 PolarHBondContact O-N 2.82Å; V327-R331 HydrophobicContact CG1-CG 4.47Å; V327-R331 WeakPolarHBondContact O-CB 3.41Å; V327-R331 VanDerWaalsContact O-CG 3.27Å; V327-R331 WeakPolarHBondContact O-CG 3.3Å; V327-R331 PolarHBondContact O-N 3.06Å
328	R	98.4	Very high	97.3	Very high	127 Å²	127	55.6 Å²	55.6	48%	0.479	27%	0.272	S	S	.	.	H	α-helix	trans	-61.1	-44.7	174.2	-75.6	-171.9	-60.8	-93.2	2.5	111.6	E324 K325 E326 R331 M332	E324-R328 WeakPolarHBondContact O-CG 3.4Å; E324-R328 PolarHBondContact O-N 2.87Å; E324-R328 IonicContact OE2-NH1 3.54Å; K325-R328 PolarHBondContact O-N 3.4Å; E326-R328 VanDerWaalsContact C-N 3.31Å; E326-R328 PolarHBondContact O-N 3.42Å; R328-R331 PolarHBondContact O-N 3.37Å; R328-M332 WeakPolarHBondContact O-CG 3.4Å; R328-M332 PolarHBondContact O-N 2.94Å
329	L	97.8	Very high	97.2	Very high	53 Å²	53	61 Å²	61	28%	0.277	29%	0.291	S	S	.	.	H	α-helix	trans	-60.9	-46.1	176.7	-68.7	168.9	0	0	0	111.8	P57 L258 K325 E326 R331 M332 R333	P57-L329 HydrophobicContact CG-CD1 3.5Å; P57-L329 VanDerWaalsContact CG-CD1 3.5Å; L258-L329 HydrophobicContact CD2-CB 4.24Å; K325-L329 WeakPolarHBondContact O-CG 3.1Å; K325-L329 PolarHBondContact O-N 3Å; K325-L329 VanDerWaalsContact O-N 3.07Å; E326-L329 PolarHBondContact O-N 3.38Å; L329-R331 VanDerWaalsContact C-N 3.31Å; L329-R331 PolarHBondContact O-N 3.37Å; L329-M332 HydrophobicContact CD2-CE 3.69Å; L329-M332 HydrophobicContact CG-CE 4.39Å; L329-M332 PolarHBondContact O-N 2.84Å; L329-R333 VanDerWaalsContact O-CB 3.3Å; L329-R333 WeakPolarHBondContact O-CB 3.11Å; L329-R333 PolarHBondContact O-N 3.34Å
330	L	98.1	Very high	97.1	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-57.3	-44.1	175.5	179.6	70.1	0	0	0	111.9	D244 M247 I248 L258 V261 V262 F263 E326 V327 R333 R334	D244-L330 HydrophobicContact CB-CD2 4.23Å; M247-L330 HydrophobicContact CB-CD2 4Å; I248-L330 HydrophobicContact CD1-CB 4.02Å; I248-L330 HydrophobicContact CD1-CD2 4.05Å; I248-L330 HydrophobicContact CG1-CD2 4.47Å; L258-L330 HydrophobicContact CD1-CB 4.15Å; L258-L330 HydrophobicContact CD1-CD1 3.89Å; V261-L330 HydrophobicContact CG2-CD1 4.18Å; V262-L330 HydrophobicContact CB-CD1 4.42Å; V262-L330 HydrophobicContact CG2-CD1 3.84Å; F263-L330 HydrophobicContact CE1-CD2 4.38Å; E326-L330 WeakPolarHBondContact O-CB 3.37Å; E326-L330 PolarHBondContact O-N 3.07Å; V327-L330 PolarHBondContact O-N 2.82Å; L330-R333 PolarHBondContact O-N 3.13Å; L330-R334 VanDerWaalsContact O-CB 3.32Å; L330-R334 WeakPolarHBondContact O-CB 3.43Å; L330-R334 PolarHBondContact O-N 3.33Å
331	R	97.6	Very high	97	Very high	105 Å²	105	58 Å²	58	40%	0.396	27%	0.273	S	S	.	.	H	α-helix	trans	-66	-49.3	179.6	-74.6	175	175.8	173.4	2.7	112.4	D244 V327 R328 L329 R333 R334 E335	D244-R331 IonicContact OD2-CZ 3.66Å; D244-R331 VanDerWaalsContact OD2-CZ 3.27Å; D244-R331 IonicContact OD2-NE 3.91Å; D244-R331 PolarHBondContact OD2-NE 3.35Å; D244-R331 IonicContact OD2-NH2 2.97Å; D244-R331 PolarHBondContact OD2-NH2 2.98Å; V327-R331 HydrophobicContact CG1-CG 4.47Å; V327-R331 WeakPolarHBondContact O-CB 3.41Å; V327-R331 VanDerWaalsContact O-CG 3.27Å; V327-R331 WeakPolarHBondContact O-CG 3.3Å; V327-R331 PolarHBondContact O-N 3.06Å; R328-R331 PolarHBondContact O-N 3.37Å; L329-R331 VanDerWaalsContact C-N 3.31Å; L329-R331 PolarHBondContact O-N 3.37Å; R331-R333 VanDerWaalsContact C-N 3.28Å; R331-R333 PolarHBondContact O-N 3.49Å; R331-R334 WeakPolarHBondContact O-CB 3.47Å; R331-R334 PolarHBondContact O-N 2.97Å; R331-E335 WeakPolarHBondContact O-CG 3.2Å; R331-E335 PolarHBondContact O-N 3.41Å
332	M	96.6	Very high	96.9	Very high	96 Å²	96	54.4 Å²	54.4	47%	0.473	24%	0.244	S	C	.	.	H	α-helix	trans	-57.8	-45.6	176.3	-70.2	-174.7	-58.6	0	0	110.5	R328 L329 R334 E335 D336	R328-M332 WeakPolarHBondContact O-CG 3.4Å; R328-M332 PolarHBondContact O-N 2.94Å; L329-M332 HydrophobicContact CD2-CE 3.69Å; L329-M332 HydrophobicContact CG-CE 4.39Å; L329-M332 PolarHBondContact O-N 2.84Å; M332-R334 PolarHBondContact O-N 3.35Å; M332-E335 WeakPolarHBondContact O-CB 3.29Å; M332-E335 PolarHBondContact O-N 2.84Å; M332-E335 VanDerWaalsContact O-N 3.13Å; M332-D336 VanDerWaalsContact O-CG 3.26Å; M332-D336 PolarHBondContact O-N 2.88Å
333	R	96.3	Very high	96.7	Very high	12 Å²	12	55.1 Å²	55.1	5%	0.045	24%	0.243	C	C	.	.	H	α-helix	trans	-63.6	-40.9	178.9	-173.3	57.5	178.7	163.7	0.4	112.7	I48 L258 D259 V262 L329 L330 R331 E335 D336 L337	I48-R333 PolarHBondContact O-NH2 3.11Å; L258-R333 HydrophobicContact CD2-CB 4.45Å; D259-R333 WeakPolarHBondContact OD1-CG 3.26Å; D259-R333 IonicContact OD1-CZ 2.83Å; D259-R333 IonicContact OD1-NE 3.41Å; D259-R333 PolarHBondContact OD1-NE 3.32Å; D259-R333 IonicContact OD1-NH2 3.87Å; D259-R333 PolarHBondContact OD1-NH2 2.89Å; D259-R333 IonicContact OD2-CZ 2.89Å; D259-R333 IonicContact OD2-NE 3.21Å; D259-R333 IonicContact OD2-NH2 3.61Å; D259-R333 PolarHBondContact OD2-NH2 3.29Å; V262-R333 HydrophobicContact CG2-CB 4.14Å; V262-R333 HydrophobicContact CG2-CG 3.68Å; L329-R333 VanDerWaalsContact O-CB 3.3Å; L329-R333 WeakPolarHBondContact O-CB 3.11Å; L329-R333 PolarHBondContact O-N 3.34Å; L330-R333 PolarHBondContact O-N 3.13Å; R331-R333 VanDerWaalsContact C-N 3.28Å; R331-R333 PolarHBondContact O-N 3.49Å; R333-E335 VanDerWaalsContact C-N 3.31Å; R333-E335 PolarHBondContact O-N 2.94Å; R333-D336 PolarHBondContact O-N 3.32Å; R333-L337 WeakPolarHBondContact O-CG 3.26Å; R333-L337 PolarHBondContact O-N 3.03Å
334	R	96.6	Very high	96.4	Very high	57 Å²	57	58.5 Å²	58.5	22%	0.215	26%	0.262	C	S	.	.	H	α-helix	trans	-60.1	-40.9	173.3	-179.3	172.6	64.1	-157.7	-1.6	111.8	D244 V262 F263 F264 L330 R331 M332 A338	D244-R334 IonicContact OD1-CZ 2.85Å; D244-R334 IonicContact OD1-NH1 3.61Å; D244-R334 PolarHBondContact OD1-NH1 3.15Å; D244-R334 IonicContact OD1-NH2 3.96Å; D244-R334 IonicContact OD2-NH2 3.14Å; D244-R334 PolarHBondContact OD2-NH2 3.03Å; V262-R334 HydrophobicContact CG1-CB 3.9Å; V262-R334 HydrophobicContact CG1-CG 4.39Å; F263-R334 WeakPolarHBondContact O-CD 3.41Å; F263-R334 WeakPolarHBondContact O-CG 3.42Å; F264-R334 HydrophobicContact CD1-CG 4.16Å; F264-R334 HydrophobicContact CE1-CG 4.12Å; L330-R334 VanDerWaalsContact O-CB 3.32Å; L330-R334 WeakPolarHBondContact O-CB 3.43Å; L330-R334 PolarHBondContact O-N 3.33Å; R331-R334 WeakPolarHBondContact O-CB 3.47Å; R331-R334 PolarHBondContact O-N 2.97Å; M332-R334 PolarHBondContact O-N 3.35Å; R334-A338 VanDerWaalsContact O-CB 3.29Å; R334-A338 WeakPolarHBondContact O-CB 3.31Å; R334-A338 PolarHBondContact O-N 2.87Å
335	E	95.6	Very high	95.8	Very high	111 Å²	111	56.7 Å²	56.7	52%	0.519	27%	0.273	S	S	.	.	H	α-helix	trans	-66.6	-43.5	177.1	-72.4	170.8	-168.3	0	0	111.9	R331 M332 R333 L337 A338 R339	R331-E335 WeakPolarHBondContact O-CG 3.2Å; R331-E335 PolarHBondContact O-N 3.41Å; M332-E335 WeakPolarHBondContact O-CB 3.29Å; M332-E335 PolarHBondContact O-N 2.84Å; M332-E335 VanDerWaalsContact O-N 3.13Å; R333-E335 VanDerWaalsContact C-N 3.31Å; R333-E335 PolarHBondContact O-N 2.94Å; E335-L337 PolarHBondContact O-N 3.41Å; E335-A338 WeakPolarHBondContact O-CB 3.3Å; E335-A338 PolarHBondContact O-N 2.85Å; E335-A338 VanDerWaalsContact O-N 3.17Å; E335-R339 WeakPolarHBondContact O-CG 3.24Å; E335-R339 PolarHBondContact O-N 3.31Å
336	D	94.7	Very high	95.4	Very high	49 Å²	49	52.4 Å²	52.4	26%	0.262	26%	0.259	S	S	.	.	H	α-helix	trans	-58.5	-49.1	176.2	-64.8	-19.2	0	0	0	111.3	M332 R333 A338 R339 V340	M332-D336 VanDerWaalsContact O-CG 3.26Å; M332-D336 PolarHBondContact O-N 2.88Å; R333-D336 PolarHBondContact O-N 3.32Å; D336-A338 VanDerWaalsContact C-N 3.32Å; D336-A338 PolarHBondContact O-N 2.95Å; D336-R339 PolarHBondContact O-N 3.41Å; D336-R339 IonicContact OD1-CZ 2.87Å; D336-R339 VanDerWaalsContact OD1-CZ 3.29Å; D336-R339 IonicContact OD1-NH1 2.63Å; D336-R339 PolarHBondContact OD1-NH1 3.17Å; D336-R339 IonicContact OD1-NH2 2.79Å; D336-R339 PolarHBondContact OD1-NH2 3.22Å; D336-V340 PolarHBondContact O-N 3.25Å
337	L	95.3	Very high	95	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-64.9	-36.2	176.3	-66.7	-177.5	0	0	0	111.6	I48 F49 V262 F264 R333 E335 V340 C341 M389	I48-L337 HydrophobicContact CD1-CD2 4.35Å; I48-L337 HydrophobicContact CG1-CD2 4.39Å; I48-L337 HydrophobicContact CG2-CD2 4.18Å; F49-L337 HydrophobicContact CD1-CD2 4.23Å; F49-L337 HydrophobicContact CE1-CD1 4.11Å; F49-L337 HydrophobicContact CE1-CD2 3.69Å; F49-L337 HydrophobicContact CZ-CD2 3.87Å; V262-L337 HydrophobicContact CB-CD1 4.32Å; V262-L337 HydrophobicContact CG1-CD1 3.83Å; F264-L337 HydrophobicContact CZ-CB 3.98Å; R333-L337 WeakPolarHBondContact O-CG 3.26Å; R333-L337 PolarHBondContact O-N 3.03Å; E335-L337 PolarHBondContact O-N 3.41Å; L337-V340 PolarHBondContact O-N 2.77Å; L337-C341 WeakPolarHBondContact O-CB 3.27Å; L337-C341 PolarHBondContact O-N 3.49Å; L337-C341 PolarHBondContact O-SG 3.34Å; L337-C341 VanDerWaalsContact O-SG 3.33Å; L337-M389 HydrophobicContact CB-CE 4.48Å; L337-M389 HydrophobicContact CB-SD 4.47Å; L337-M389 HydrophobicContact CD1-CE 3.74Å; L337-M389 HydrophobicContact CD1-SD 3.91Å
338	A	96.2	Very high	94.8	Very high	17 Å²	17	61.4 Å²	61.4	14%	0.14	30%	0.303	C	S	.	.	H	α-helix	trans	-63	-42.6	175.8	0	0	0	0	0	111.8	F264 R334 E335 D336 V340 L342	F264-A338 HydrophobicContact CE1-CB 3.83Å; F264-A338 HydrophobicContact CZ-CB 4.27Å; R334-A338 VanDerWaalsContact O-CB 3.29Å; R334-A338 WeakPolarHBondContact O-CB 3.31Å; R334-A338 PolarHBondContact O-N 2.87Å; E335-A338 WeakPolarHBondContact O-CB 3.3Å; E335-A338 PolarHBondContact O-N 2.85Å; E335-A338 VanDerWaalsContact O-N 3.17Å; D336-A338 VanDerWaalsContact C-N 3.32Å; D336-A338 PolarHBondContact O-N 2.95Å; A338-V340 VanDerWaalsContact C-N 3.33Å; A338-V340 PolarHBondContact O-N 3.04Å; A338-L342 HydrophobicContact CB-CD1 4.06Å; A338-L342 WeakPolarHBondContact O-CB 3.47Å; A338-L342 PolarHBondContact O-N 3.04Å
339	R	95.2	Very high	94.5	Very high	162 Å²	162	55.7 Å²	55.7	61%	0.611	28%	0.282	S	S	*	.	H	α-helix	trans	-61.6	-41	177.9	-70	-167.2	-53.6	-101.4	2.1	112.1	E335 D336	E335-R339 WeakPolarHBondContact O-CG 3.24Å; E335-R339 PolarHBondContact O-N 3.31Å; D336-R339 PolarHBondContact O-N 3.41Å; D336-R339 IonicContact OD1-CZ 2.87Å; D336-R339 VanDerWaalsContact OD1-CZ 3.29Å; D336-R339 IonicContact OD1-NH1 2.63Å; D336-R339 PolarHBondContact OD1-NH1 3.17Å; D336-R339 IonicContact OD1-NH2 2.79Å; D336-R339 PolarHBondContact OD1-NH2 3.22Å
340	V	94.4	Very high	94.3	Very high	50 Å²	50	54.7 Å²	54.7	30%	0.303	28%	0.276	S	S	.	.	H	α-helix	trans	-74.4	-46.4	178.5	174.8	0	0	0	0	111.7	I48 D336 L337 A338 Q375 L378 T382	I48-V340 HydrophobicContact CD1-CG2 3.68Å; D336-V340 PolarHBondContact O-N 3.25Å; L337-V340 PolarHBondContact O-N 2.77Å; A338-V340 VanDerWaalsContact C-N 3.33Å; A338-V340 PolarHBondContact O-N 3.04Å; V340-Q375 WeakPolarHBondContact O-CG 3.33Å; V340-L378 HydrophobicContact CG1-CD2 4.46Å; V340-T382 HydrophobicContact CG1-CG2 3.89Å
341	C	95.9	Very high	94	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-84.7	-35.7	-168.6	-68.8	0	0	0	0	114.1	F264 L337 L374 Q375 C386	F264-C341 HydrophobicContact CE2-CB 4.3Å; F264-C341 HydrophobicContact CZ-CB 4.46Å; L337-C341 WeakPolarHBondContact O-CB 3.27Å; L337-C341 PolarHBondContact O-N 3.49Å; L337-C341 PolarHBondContact O-SG 3.34Å; L337-C341 VanDerWaalsContact O-SG 3.33Å; C341-L374 CarbonylContact O-C 3.38Å; C341-L374 VanDerWaalsContact O-CA 3.26Å; C341-L374 WeakPolarHBondContact O-CA 3.35Å; C341-L374 WeakPolarHBondContact O-CD2 3.37Å; C341-Q375 PolarHBondContact O-N 3.38Å; C341-C386 WeakPolarHBondContact CA-SG 3.13Å; C341-C386 HydrophobicContact CB-CB 3.49Å; C341-C386 VanDerWaalsContact CB-CB 3.49Å; C341-C386 WeakPolarHBondContact CB-SG 3.46Å; C341-C386 VanDerWaalsContact SG-CA 3.53Å; C341-C386 WeakPolarHBondContact SG-CB 3.4Å; C341-C386 CovalentContact SG-SG 2.03Å; C341-C386 PolarHBondContact SG-SG 2.96Å
342	L	96.3	Very high	93.7	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.01	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-116.1	140.6	-158.1	-50.3	-177.9	0	0	0	112.9	F264 A338 Y372 L374 Q375 I390	F264-L342 HydrophobicContact CD1-CD1 4.02Å; F264-L342 HydrophobicContact CD2-CD1 4.01Å; F264-L342 HydrophobicContact CD2-CD2 4.22Å; F264-L342 HydrophobicContact CE1-CD1 3.94Å; F264-L342 HydrophobicContact CE2-CD1 3.9Å; F264-L342 HydrophobicContact CE2-CD2 3.94Å; F264-L342 HydrophobicContact CE2-CG 4.06Å; F264-L342 HydrophobicContact CG-CD1 4.06Å; F264-L342 HydrophobicContact CZ-CD1 3.87Å; F264-L342 HydrophobicContact CZ-CG 4.16Å; A338-L342 HydrophobicContact CB-CD1 4.06Å; A338-L342 WeakPolarHBondContact O-CB 3.47Å; A338-L342 PolarHBondContact O-N 3.04Å; L342-Y372 HydrophobicContact CD1-CD1 3.73Å; L342-Y372 HydrophobicContact CD1-CE1 4Å; L342-Y372 HydrophobicContact CD1-CG 4.33Å; L342-Y372 HydrophobicContact CD2-CD1 4.49Å; L342-Y372 HydrophobicContact CD2-CG 4.4Å; L342-L374 HydrophobicContact CD2-CD2 4.38Å; L342-Q375 WeakPolarHBondContact O-CG 3.34Å; L342-Q375 PolarHBondContact O-NE2 3.02Å; L342-Q375 VanDerWaalsContact O-NE2 3.12Å; L342-I390 HydrophobicContact CD2-CG2 3.58Å
343	R	94.4	Very high	93.5	Very high	83 Å²	83	58.2 Å²	58.2	31%	0.313	29%	0.292	S	S	.	.	S	Bend	trans	-75.4	179	170.2	-63.6	-171.8	76.1	178.4	1.1	111.6	G345 G346 E373 L374	R343-G345 PolarHBondContact O-N 2.81Å; R343-G346 PolarHBondContact O-N 3.11Å; R343-E373 HydrophobicContact CB-CB 4.31Å; R343-E373 HydrophobicContact CG-CB 4.5Å; R343-E373 HydrophobicContact CG-CG 4.31Å; R343-E373 PolarHBondContact N-O 3.45Å; R343-L374 VanDerWaalsContact CD-O 3.26Å; R343-L374 WeakPolarHBondContact CD-O 3.43Å; R343-L374 VanDerWaalsContact CG-O 3.24Å; R343-L374 WeakPolarHBondContact CG-O 3.44Å
344	D	90.8	Very high	93.4	Very high	78 Å²	78	57.6 Å²	57.6	42%	0.417	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	54.2	32.1	174.6	-62.3	-94.1	0	0	0	112.7	G346 K347 V349 R353	D344-G346 VanDerWaalsContact C-N 3.3Å; D344-G346 PolarHBondContact O-N 3.5Å; D344-K347 WeakPolarHBondContact O-CB 3.24Å; D344-K347 WeakPolarHBondContact O-CG 3.26Å; D344-K347 PolarHBondContact O-N 2.92Å; D344-V349 HydrophobicContact CB-CG1 4.31Å; D344-R353 IonicContact OD1-CZ 3.59Å; D344-R353 IonicContact OD1-NH2 3.57Å; D344-R353 PolarHBondContact OD1-NH2 2.77Å; D344-R353 IonicContact OD2-NH2 2.85Å
345	G	86.6	Confident	93.1	Very high	75 Å²	75	63.5 Å²	63.5	77%	0.773	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	64.6	30.3	-177.5	0	0	0	0	0	113.8	R343 K347	R343-G345 PolarHBondContact O-N 2.81Å; G345-K347 VanDerWaalsContact C-N 3.28Å; G345-K347 PolarHBondContact O-N 3.39Å
346	G	89.6	Confident	92.9	Very high	16 Å²	16	60.1 Å²	60.1	17%	0.165	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	78.3	8	-178.1	0	0	0	0	0	114.7	R343 D344 Y372	R343-G346 PolarHBondContact O-N 3.11Å; D344-G346 VanDerWaalsContact C-N 3.3Å; D344-G346 PolarHBondContact O-N 3.5Å; G346-Y372 WeakPolarHBondContact O-CE1 3.49Å
347	K	91	Very high	92.7	Very high	150 Å²	150	65.2 Å²	65.2	65%	0.652	32%	0.317	S	S	*	.			trans	-81	136	-180	-65.2	179.2	-178.3	176.9	0	110.9	D344 G345	D344-K347 WeakPolarHBondContact O-CB 3.24Å; D344-K347 WeakPolarHBondContact O-CG 3.26Å; D344-K347 PolarHBondContact O-N 2.92Å; G345-K347 VanDerWaalsContact C-N 3.28Å; G345-K347 PolarHBondContact O-N 3.39Å
348	P	92.9	Very high	92.4	Very high	46 Å²	46	70.4 Å²	70.4	30%	0.299	35%	0.345	S	S	.	.			trans	-69	142.9	175.1	30.4	-35	0	0	0	110.7	L370 G371 Y372	P348-L370 HydrophobicContact CB-CB 3.81Å; P348-L370 HydrophobicContact CB-CD1 4.14Å; P348-L370 HydrophobicContact CG-CB 4.5Å; P348-L370 HydrophobicContact CG-CD1 3.98Å; P348-G371 CarbonylContact C-O 3.58Å; P348-G371 WeakPolarHBondContact CA-O 3.32Å; P348-G371 WeakPolarHBondContact CB-O 3.03Å; P348-Y372 HydrophobicContact CB-CD1 4.15Å; P348-Y372 HydrophobicContact CB-CE1 3.7Å; P348-Y372 HydrophobicContact CB-CE2 4.45Å; P348-Y372 HydrophobicContact CG-CE1 4.3Å
349	V	93.3	Very high	92.1	Very high	7 Å²	7	69.8 Å²	69.8	4%	0.042	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	158.9	-175.6	-62.3	0	0	0	0	111.5	D344 R353 I354 L370 G371	D344-V349 HydrophobicContact CB-CG1 4.31Å; V349-R353 HydrophobicContact CB-CB 4.35Å; V349-R353 HydrophobicContact CG2-CB 4.31Å; V349-I354 HydrophobicContact CG2-CD1 4.34Å; V349-I354 HydrophobicContact CG2-CG1 3.69Å; V349-L370 WeakPolarHBondContact O-CA 3.4Å; V349-G371 PolarHBondContact N-O 3.23Å; V349-G371 PolarHBondContact O-N 2.87Å
350	E	93	Very high	92.1	Very high	31 Å²	31	66.2 Å²	66.2	15%	0.145	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	145.2	176.2	-64.8	-168.7	-166.1	0	0	111.6	Q270 H352 R353 K368 L370	Q270-E350 PolarHBondContact NE2-OE1 3.26Å; Q270-E350 PolarHBondContact OE1-OE1 3.19Å; E350-H352 PolarHBondContact O-N 2.77Å; E350-H352 IonicContact OE2-CE1 2.76Å; E350-H352 PolarHBondContact OE2-CE1 3.03Å; E350-H352 IonicContact OE2-ND1 3.72Å; E350-H352 PolarHBondContact OE2-ND1 3.12Å; E350-R353 WeakPolarHBondContact O-CB 3.44Å; E350-R353 PolarHBondContact O-N 3.24Å; E350-K368 VanDerWaalsContact CD-CD 3.46Å; E350-K368 HydrophobicContact CG-CD 4.19Å; E350-K368 IonicContact OE1-NZ 3Å; E350-K368 PolarHBondContact OE1-NZ 2.72Å; E350-K368 VanDerWaalsContact OE2-CD 3.22Å; E350-K368 WeakPolarHBondContact OE2-CD 3.14Å; E350-K368 WeakPolarHBondContact OE2-CE 3.36Å; E350-K368 IonicContact OE2-NZ 2.62Å; E350-K368 PolarHBondContact OE2-NZ 3.2Å; E350-L370 HydrophobicContact CB-CD2 4.41Å; E350-L370 HydrophobicContact CG-CD2 3.9Å
351	A	92	Very high	92	Very high	14 Å²	14	64.1 Å²	64.1	12%	0.116	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-55.5	-30.6	-173.4	0	0	0	0	0	115	R353 I354 P361 Q363	A351-R353 VanDerWaalsContact C-N 3.28Å; A351-R353 PolarHBondContact O-N 2.9Å; A351-I354 PolarHBondContact O-N 3.42Å; A351-P361 HydrophobicContact CB-CG 4.04Å; A351-Q363 HydrophobicContact CB-CG 4.37Å
352	H	91.3	Very high	91.7	Very high	133 Å²	133	68.6 Å²	68.6	62%	0.616	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-70.3	-23.3	178.3	73.7	-93.5	0	0	0	113.1	E350 I354	E350-H352 PolarHBondContact O-N 2.77Å; E350-H352 IonicContact OE2-CE1 2.76Å; E350-H352 PolarHBondContact OE2-CE1 3.03Å; E350-H352 IonicContact OE2-ND1 3.72Å; E350-H352 PolarHBondContact OE2-ND1 3.12Å; H352-I354 VanDerWaalsContact C-N 3.34Å
353	R	92.3	Very high	91.4	Very high	128 Å²	128	72.1 Å²	72.1	48%	0.483	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-80.1	-17.9	176.7	-65.1	-177.6	57.3	-163.7	-9.7	112.8	D344 V349 E350 A351 R355	D344-R353 IonicContact OD1-CZ 3.59Å; D344-R353 IonicContact OD1-NH2 3.57Å; D344-R353 PolarHBondContact OD1-NH2 2.77Å; D344-R353 IonicContact OD2-NH2 2.85Å; V349-R353 HydrophobicContact CB-CB 4.35Å; V349-R353 HydrophobicContact CG2-CB 4.31Å; E350-R353 WeakPolarHBondContact O-CB 3.44Å; E350-R353 PolarHBondContact O-N 3.24Å; A351-R353 VanDerWaalsContact C-N 3.28Å; A351-R353 PolarHBondContact O-N 2.9Å; R353-R355 PolarHBondContact O-N 3.34Å
354	I	93.5	Very high	90.9	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	34%	0.343	C	S	.	.			trans	-78	120.4	-178.3	-60.3	175	0	0	0	108.6	V349 A351 H352 I359 R360 E373	V349-I354 HydrophobicContact CG2-CD1 4.34Å; V349-I354 HydrophobicContact CG2-CG1 3.69Å; A351-I354 PolarHBondContact O-N 3.42Å; H352-I354 VanDerWaalsContact C-N 3.34Å; I354-I359 HydrophobicContact CG2-CD1 4.04Å; I354-I359 HydrophobicContact CG2-CG1 3.73Å; I354-R360 HydrophobicContact CB-CG 4Å; I354-R360 HydrophobicContact CG2-CG 3.95Å; I354-R360 PolarHBondContact O-NE 3.48Å; I354-R360 PolarHBondContact O-NH2 2.86Å; I354-E373 WeakPolarHBondContact CA-OE2 3.37Å; I354-E373 WeakPolarHBondContact CG2-OE2 3.36Å
355	R	91.6	Very high	90.5	Very high	181 Å²	181	67.4 Å²	67.4	68%	0.683	34%	0.341	S	S	*	.			trans	-77.5	-43.8	-172.8	-62.5	177.3	-178.5	-171.9	-1.8	111.6	R353 K357 E373	R353-R355 PolarHBondContact O-N 3.34Å; R355-K357 PolarHBondContact O-N 3.28Å; R355-E373 WeakPolarHBondContact CB-OE1 3.44Å; R355-E373 WeakPolarHBondContact CG-OE1 3.42Å; R355-E373 PolarHBondContact N-OE1 3.12Å; R355-E373 PolarHBondContact N-OE2 2.86Å
356	D	91.6	Very high	90	Very high	39 Å²	39	65.7 Å²	65.7	21%	0.209	31%	0.314	C	S	.	.			trans	-75.3	112.6	179.7	-177.9	-5.5	0	0	0	110.5	N358 I359	D356-N358 PolarHBondContact O-N 3.19Å; D356-N358 VanDerWaalsContact OD1-CB 3.29Å; D356-N358 WeakPolarHBondContact OD1-CB 3.48Å; D356-N358 PolarHBondContact OD1-N 3.43Å; D356-N358 PolarHBondContact OD1-ND2 2.92Å; D356-N358 VanDerWaalsContact OD1-ND2 3.16Å; D356-I359 HydrophobicContact CB-CD1 3.96Å; D356-I359 HydrophobicContact CB-CG1 3.74Å; D356-I359 VanDerWaalsContact O-CG1 3.26Å; D356-I359 WeakPolarHBondContact O-CG1 3.17Å; D356-I359 PolarHBondContact O-N 2.88Å
357	K	89.3	Confident	89.6	Confident	156 Å²	156	65.7 Å²	65.7	68%	0.678	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-63.1	-25.2	-179.2	-65	-179.1	-178.1	176.8	0	112.5	R355 I359 R360	R355-K357 PolarHBondContact O-N 3.28Å; K357-I359 PolarHBondContact O-N 3.04Å; K357-R360 PolarHBondContact O-N 2.9Å
358	N	88.3	Confident	89.5	Confident	110 Å²	110	63.2 Å²	63.2	59%	0.588	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-75.6	-7.8	-178.2	-57.4	-52.5	0	0	0	113.4	D356 Q395	D356-N358 PolarHBondContact O-N 3.19Å; D356-N358 VanDerWaalsContact OD1-CB 3.29Å; D356-N358 WeakPolarHBondContact OD1-CB 3.48Å; D356-N358 PolarHBondContact OD1-N 3.43Å; D356-N358 PolarHBondContact OD1-ND2 2.92Å; D356-N358 VanDerWaalsContact OD1-ND2 3.16Å; N358-Q395 WeakPolarHBondContact O-CB 3.18Å; N358-Q395 VanDerWaalsContact O-CG 3.26Å; N358-Q395 WeakPolarHBondContact O-CG 3.37Å
359	I	91.9	Very high	89.3	Confident	4 Å²	4	61.2 Å²	61.2	2%	0.021	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-122.9	10.3	175.8	56.1	170.5	0	0	0	113.2	I354 D356 K357 L387 I390 P392	I354-I359 HydrophobicContact CG2-CD1 4.04Å; I354-I359 HydrophobicContact CG2-CG1 3.73Å; D356-I359 HydrophobicContact CB-CD1 3.96Å; D356-I359 HydrophobicContact CB-CG1 3.74Å; D356-I359 VanDerWaalsContact O-CG1 3.26Å; D356-I359 WeakPolarHBondContact O-CG1 3.17Å; D356-I359 PolarHBondContact O-N 2.88Å; K357-I359 PolarHBondContact O-N 3.04Å; I359-L387 HydrophobicContact CG2-CD1 3.32Å; I359-I390 HydrophobicContact CD1-CD1 3.7Å; I359-P392 WeakPolarHBondContact O-CG 3.43Å
360	R	93.4	Very high	89.3	Confident	87 Å²	87	61.7 Å²	61.7	33%	0.328	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-70.5	124.6	173	-75	-178.7	-177.2	179.8	-2.5	109.9	I354 K357 Q395	I354-R360 HydrophobicContact CB-CG 4Å; I354-R360 HydrophobicContact CG2-CG 3.95Å; I354-R360 PolarHBondContact O-NE 3.48Å; I354-R360 PolarHBondContact O-NH2 2.86Å; K357-R360 PolarHBondContact O-N 2.9Å; R360-Q395 PolarHBondContact O-NE2 2.95Å
361	P	92.4	Very high	89.3	Confident	7 Å²	7	60.6 Å²	60.6	5%	0.045	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-67.7	141.1	176.4	27.7	-32.9	0	0	0	110.2	A351 Q363 I369	A351-P361 HydrophobicContact CB-CG 4.04Å; P361-Q363 PolarHBondContact O-N 3.34Å; P361-Q363 PolarHBondContact O-NE2 3.49Å; P361-I369 HydrophobicContact CB-CG2 3.87Å; P361-I369 HydrophobicContact CG-CG2 4.38Å; P361-I369 WeakPolarHBondContact CG-O 3.4Å
362	F	89.8	Confident	89.5	Confident	94 Å²	94	60.8 Å²	60.8	41%	0.412	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-59.9	136.4	171.9	-178.7	-99.3	0	0	0	110	I369 I394	F362-I369 VanDerWaalsContact O-CD1 3.27Å; F362-I369 WeakPolarHBondContact O-CD1 3.35Å; F362-I394 HydrophobicContact CB-CD1 4.09Å; F362-I394 HydrophobicContact CD2-CD1 4.47Å; F362-I394 HydrophobicContact CG-CD1 4.3Å
363	Q	90.9	Very high	89.7	Confident	76 Å²	76	55.7 Å²	55.7	36%	0.355	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-102.2	137.6	-179.5	-58.9	-58	-63.6	0	0	110.2	A351 P361 I369	A351-Q363 HydrophobicContact CB-CG 4.37Å; P361-Q363 PolarHBondContact O-N 3.34Å; P361-Q363 PolarHBondContact O-NE2 3.49Å; Q363-I369 PolarHBondContact NE2-O 3.17Å
364	S	84.3	Confident	89.9	Confident	26 Å²	26	50.1 Å²	50.1	18%	0.182	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-156.1	146.9	178	-157.4	0	0	0	0	112.3
365	G	81.1	Confident	89.9	Confident	35 Å²	35	53.1 Å²	53.1	36%	0.361	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	-143.5	175.3	0	0	0	0	0	113.4	Y167	Y167-G365 WeakPolarHBondContact O-CA 3.39Å; Y167-G365 PolarHBondContact O-N 3.43Å
366	L	77.3	Confident	90	Very high	40 Å²	40	48.8 Å²	48.8	21%	0.209	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-9.2	-168.2	-62.3	169.4	0	0	0	114.3	F165 A166 K169 L280 P281	F165-L366 HydrophobicContact CD1-CD1 4.49Å; F165-L366 HydrophobicContact CE1-CD1 4.27Å; A166-L366 PolarHBondContact O-N 3.1Å; K169-L366 HydrophobicContact CB-CD1 3.66Å; K169-L366 HydrophobicContact CB-CD2 4.29Å; K169-L366 HydrophobicContact CB-CG 3.62Å; K169-L366 HydrophobicContact CD-CD1 3.91Å; K169-L366 HydrophobicContact CG-CD1 3.57Å; K169-L366 HydrophobicContact CG-CD2 3.88Å; K169-L366 HydrophobicContact CG-CG 3.67Å; L280-L366 HydrophobicContact CD2-CB 4.14Å; L280-L366 WeakPolarHBondContact CD2-O 3.47Å; P281-L366 HydrophobicContact CB-CD1 3.74Å; P281-L366 HydrophobicContact CG-CD1 3.39Å; P281-L366 HydrophobicContact CG-CD2 3.6Å; P281-L366 HydrophobicContact CG-CG 4.06Å
367	V	80.8	Confident	90	Very high	16 Å²	16	51 Å²	51	10%	0.097	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-116.9	139	-167.9	-70.7	0	0	0	0	110.4	A166 R269 L280 I369	A166-V367 HydrophobicContact CB-CG1 3.89Å; A166-V367 HydrophobicContact CB-CG2 4.36Å; R269-V367 HydrophobicContact CB-CB 4.45Å; R269-V367 HydrophobicContact CG-CB 4.2Å; R269-V367 HydrophobicContact CG-CG2 3.92Å; L280-V367 HydrophobicContact CD2-CG1 3.86Å; V367-I369 PolarHBondContact O-N 2.56Å
368	K	87.9	Confident	90.3	Very high	97 Å²	97	45.2 Å²	45.2	42%	0.422	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-74.9	123.1	169.8	-60.5	-168.1	-165.8	171.1	0	108.9	Q270 E350	Q270-K368 HydrophobicContact CB-CB 4.32Å; Q270-K368 PolarHBondContact N-O 2.95Å; E350-K368 VanDerWaalsContact CD-CD 3.46Å; E350-K368 HydrophobicContact CG-CD 4.19Å; E350-K368 IonicContact OE1-NZ 3Å; E350-K368 PolarHBondContact OE1-NZ 2.72Å; E350-K368 VanDerWaalsContact OE2-CD 3.22Å; E350-K368 WeakPolarHBondContact OE2-CD 3.14Å; E350-K368 WeakPolarHBondContact OE2-CE 3.36Å; E350-K368 IonicContact OE2-NZ 2.62Å; E350-K368 PolarHBondContact OE2-NZ 3.2Å
369	I	89	Confident	90.5	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.021	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-91.7	120.6	177.2	-60.1	172.6	0	0	0	107	Y167 N267 P361 F362 Q363 V367	Y167-I369 HydrophobicContact CD2-CD1 3.9Å; Y167-I369 HydrophobicContact CE2-CD1 3.55Å; N267-I369 HydrophobicContact CB-CG2 3.94Å; P361-I369 HydrophobicContact CB-CG2 3.87Å; P361-I369 HydrophobicContact CG-CG2 4.38Å; P361-I369 WeakPolarHBondContact CG-O 3.4Å; F362-I369 VanDerWaalsContact O-CD1 3.27Å; F362-I369 WeakPolarHBondContact O-CD1 3.35Å; Q363-I369 PolarHBondContact NE2-O 3.17Å; V367-I369 PolarHBondContact O-N 2.56Å
370	L	92.9	Very high	90.6	Very high	18 Å²	18	50 Å²	50	9%	0.094	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	155.1	-176.9	-53.2	179.9	0	0	0	110.9	A268 Q270 P348 V349 E350	A268-L370 PolarHBondContact O-N 3.42Å; Q270-L370 HydrophobicContact CB-CD1 4.24Å; Q270-L370 HydrophobicContact CB-CD2 3.93Å; Q270-L370 HydrophobicContact CB-CG 4.18Å; Q270-L370 HydrophobicContact CG-CD2 4.34Å; P348-L370 HydrophobicContact CB-CB 3.81Å; P348-L370 HydrophobicContact CB-CD1 4.14Å; P348-L370 HydrophobicContact CG-CB 4.5Å; P348-L370 HydrophobicContact CG-CD1 3.98Å; V349-L370 WeakPolarHBondContact O-CA 3.4Å; E350-L370 HydrophobicContact CB-CD2 4.41Å; E350-L370 HydrophobicContact CG-CD2 3.9Å
371	G	94.7	Very high	90.6	Very high	7 Å²	7	50.2 Å²	50.2	7%	0.072	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	-163.8	172.7	0	0	0	0	0	110.5	P348 V349	P348-G371 CarbonylContact C-O 3.58Å; P348-G371 WeakPolarHBondContact CA-O 3.32Å; P348-G371 WeakPolarHBondContact CB-O 3.03Å; V349-G371 PolarHBondContact N-O 3.23Å; V349-G371 PolarHBondContact O-N 2.87Å
372	Y	95.9	Very high	90.6	Very high	18 Å²	18	50.6 Å²	50.6	7%	0.071	30%	0.296	C	S	.	.			trans	-127.6	152.3	-177.1	-62.2	-84.7	0	0	0	111.1	F264 S265 L266 L342 G346 P348 I390	F264-Y372 HydrophobicContact CB-CD2 4.47Å; F264-Y372 HydrophobicContact CB-CE2 3.86Å; S265-Y372 PolarHBondContact N-OH 2.83Å; S265-Y372 WeakPolarHBondContact O-CE2 3.29Å; S265-Y372 PolarHBondContact O-OH 2.78Å; L266-Y372 HydrophobicContact CD2-CD2 4.47Å; L266-Y372 HydrophobicContact CD2-CE2 4.4Å; L342-Y372 HydrophobicContact CD1-CD1 3.73Å; L342-Y372 HydrophobicContact CD1-CE1 4Å; L342-Y372 HydrophobicContact CD1-CG 4.33Å; L342-Y372 HydrophobicContact CD2-CD1 4.49Å; L342-Y372 HydrophobicContact CD2-CG 4.4Å; G346-Y372 WeakPolarHBondContact O-CE1 3.49Å; P348-Y372 HydrophobicContact CB-CD1 4.15Å; P348-Y372 HydrophobicContact CB-CE1 3.7Å; P348-Y372 HydrophobicContact CB-CE2 4.45Å; P348-Y372 HydrophobicContact CG-CE1 4.3Å; Y372-I390 HydrophobicContact CD2-CB 4.35Å; Y372-I390 HydrophobicContact CD2-CG2 3.95Å; Y372-I390 HydrophobicContact CG-CG2 4.07Å
373	E	95.2	Very high	90.8	Very high	26 Å²	26	50.4 Å²	50.4	12%	0.121	29%	0.293	C	S	.	.			trans	-111	135.1	172.2	-171.8	75.8	-179.9	0	0	108.6	R343 I354 R355	R343-E373 HydrophobicContact CB-CB 4.31Å; R343-E373 HydrophobicContact CG-CB 4.5Å; R343-E373 HydrophobicContact CG-CG 4.31Å; R343-E373 PolarHBondContact N-O 3.45Å; I354-E373 WeakPolarHBondContact CA-OE2 3.37Å; I354-E373 WeakPolarHBondContact CG2-OE2 3.36Å; R355-E373 WeakPolarHBondContact CB-OE1 3.44Å; R355-E373 WeakPolarHBondContact CG-OE1 3.42Å; R355-E373 PolarHBondContact N-OE1 3.12Å; R355-E373 PolarHBondContact N-OE2 2.86Å
374	L	95.3	Very high	91	Very high	12 Å²	12	50.7 Å²	50.7	6%	0.063	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-77	147.6	179.6	-66	178.6	0	0	0	112.1	C341 L342 R343 R383 C386 L387 I390	C341-L374 CarbonylContact O-C 3.38Å; C341-L374 VanDerWaalsContact O-CA 3.26Å; C341-L374 WeakPolarHBondContact O-CA 3.35Å; C341-L374 WeakPolarHBondContact O-CD2 3.37Å; L342-L374 HydrophobicContact CD2-CD2 4.38Å; R343-L374 VanDerWaalsContact CD-O 3.26Å; R343-L374 WeakPolarHBondContact CD-O 3.43Å; R343-L374 VanDerWaalsContact CG-O 3.24Å; R343-L374 WeakPolarHBondContact CG-O 3.44Å; L374-R383 HydrophobicContact CD1-CG 4.42Å; L374-C386 HydrophobicContact CD2-CB 3.75Å; L374-L387 HydrophobicContact CD1-CB 3.97Å; L374-L387 HydrophobicContact CD1-CD1 4.01Å; L374-I390 HydrophobicContact CD1-CD1 4.43Å; L374-I390 HydrophobicContact CD2-CD1 3.45Å; L374-I390 VanDerWaalsContact CD2-CD1 3.45Å; L374-I390 HydrophobicContact CD2-CG1 4.05Å; L374-I390 HydrophobicContact CG-CD1 3.65Å
375	Q	95	Very high	91.4	Very high	62 Å²	62	50.3 Å²	50.3	29%	0.29	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-56.4	139.5	170	-71.3	-73.4	25.6	0	0	110.8	V340 C341 L342 L378	V340-Q375 WeakPolarHBondContact O-CG 3.33Å; C341-Q375 PolarHBondContact O-N 3.38Å; L342-Q375 WeakPolarHBondContact O-CG 3.34Å; L342-Q375 PolarHBondContact O-NE2 3.02Å; L342-Q375 VanDerWaalsContact O-NE2 3.12Å; Q375-L378 HydrophobicContact CB-CD1 4.25Å; Q375-L378 HydrophobicContact CB-CD2 4.23Å; Q375-L378 HydrophobicContact CB-CG 4.16Å; Q375-L378 WeakPolarHBondContact O-CG 3.35Å
376	P	92.8	Very high	92.1	Very high	90 Å²	90	48.6 Å²	48.6	58%	0.584	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	159.1	172.1	32.5	-33.8	0	0	0	110.6	L378	P376-L378 VanDerWaalsContact C-N 3.26Å; P376-L378 PolarHBondContact O-N 2.7Å
377	G	92.4	Very high	93	Very high	85 Å²	85	47.5 Å²	47.5	88%	0.876	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	9.5	173	0	0	0	0	0	115.9
378	L	94.1	Very high	93.7	Very high	35 Å²	35	48.8 Å²	48.8	18%	0.183	27%	0.272	C	S	.	.			trans	-64.4	136.2	170.9	-62.2	176	0	0	0	110.4	V340 Q375 P376 T382 R383 C386	V340-L378 HydrophobicContact CG1-CD2 4.46Å; Q375-L378 HydrophobicContact CB-CD1 4.25Å; Q375-L378 HydrophobicContact CB-CD2 4.23Å; Q375-L378 HydrophobicContact CB-CG 4.16Å; Q375-L378 WeakPolarHBondContact O-CG 3.35Å; P376-L378 VanDerWaalsContact C-N 3.26Å; P376-L378 PolarHBondContact O-N 2.7Å; L378-T382 HydrophobicContact CD2-CG2 4.05Å; L378-R383 HydrophobicContact CB-CB 3.93Å; L378-C386 HydrophobicContact CD1-CB 4.42Å
379	D	94.3	Very high	94.1	Very high	82 Å²	82	44.1 Å²	44.1	44%	0.439	25%	0.252	S	S	.	.			trans	-60.8	159.6	168.7	71.1	87.8	0	0	0	110.7	T381 T382 R383	D379-T381 VanDerWaalsContact C-N 3.28Å; D379-T381 PolarHBondContact O-N 3.33Å; D379-T381 WeakPolarHBondContact OD1-CA 3.27Å; D379-T381 WeakPolarHBondContact OD1-CB 3.49Å; D379-T381 PolarHBondContact OD1-N 2.8Å; D379-T382 PolarHBondContact O-N 2.8Å; D379-T382 PolarHBondContact OD1-N 2.83Å; D379-T382 PolarHBondContact OD1-OG1 3.46Å; D379-T382 WeakPolarHBondContact OD2-CB 3.22Å; D379-T382 PolarHBondContact OD2-OG1 2.83Å; D379-R383 WeakPolarHBondContact O-CB 3.4Å; D379-R383 PolarHBondContact O-N 3.01Å
380	N	93.6	Very high	94.4	Very high	134 Å²	134	44.1 Å²	44.1	72%	0.717	25%	0.252	S	S	*	.	H	α-helix	trans	-57.4	-39.3	-173.3	-76.5	-19.3	0	0	0	113.2	M384	N380-M384 WeakPolarHBondContact O-CB 3.44Å; N380-M384 VanDerWaalsContact O-CG 3.27Å; N380-M384 WeakPolarHBondContact O-CG 3.24Å; N380-M384 PolarHBondContact O-N 3.15Å
381	T	92.1	Very high	94.6	Very high	90 Å²	90	44.2 Å²	44.2	55%	0.552	25%	0.251	S	S	*	.	H	α-helix	trans	-69.3	-52	-177.7	-57.4	0	0	0	0	110.3	D379 R383 M384 S385	D379-T381 VanDerWaalsContact C-N 3.28Å; D379-T381 PolarHBondContact O-N 3.33Å; D379-T381 WeakPolarHBondContact OD1-CA 3.27Å; D379-T381 WeakPolarHBondContact OD1-CB 3.49Å; D379-T381 PolarHBondContact OD1-N 2.8Å; T381-R383 VanDerWaalsContact C-N 3.33Å; T381-R383 PolarHBondContact O-N 3.26Å; T381-M384 PolarHBondContact O-N 3.4Å; T381-S385 PolarHBondContact O-N 3.45Å; T381-S385 VanDerWaalsContact O-N 3.1Å; T381-S385 PolarHBondContact O-OG 3.37Å
382	T	93.4	Very high	94.6	Very high	15 Å²	15	44.3 Å²	44.3	9%	0.092	25%	0.25	C	S	.	.	H	α-helix	trans	-61.4	-43	178	-57.1	0	0	0	0	111.2	F49 V340 L378 D379 M384 S385 C386	F49-T382 HydrophobicContact CE2-CG2 4.37Å; V340-T382 HydrophobicContact CG1-CG2 3.89Å; L378-T382 HydrophobicContact CD2-CG2 4.05Å; D379-T382 PolarHBondContact O-N 2.8Å; D379-T382 PolarHBondContact OD1-N 2.83Å; D379-T382 PolarHBondContact OD1-OG1 3.46Å; D379-T382 WeakPolarHBondContact OD2-CB 3.22Å; D379-T382 PolarHBondContact OD2-OG1 2.83Å; T382-M384 VanDerWaalsContact C-N 3.31Å; T382-M384 PolarHBondContact O-N 2.85Å; T382-S385 PolarHBondContact O-N 3.3Å; T382-C386 WeakPolarHBondContact O-CB 3.5Å; T382-C386 PolarHBondContact O-N 3.41Å; T382-C386 PolarHBondContact O-SG 2.87Å
383	R	94.8	Very high	94.5	Very high	91 Å²	91	44.8 Å²	44.8	34%	0.343	25%	0.253	S	S	.	.	H	α-helix	trans	-56.4	-45.7	176.3	-178.2	178.4	176.3	77.2	5	111.2	L374 L378 D379 T381 L387	L374-R383 HydrophobicContact CD1-CG 4.42Å; L378-R383 HydrophobicContact CB-CB 3.93Å; D379-R383 WeakPolarHBondContact O-CB 3.4Å; D379-R383 PolarHBondContact O-N 3.01Å; T381-R383 VanDerWaalsContact C-N 3.33Å; T381-R383 PolarHBondContact O-N 3.26Å; R383-L387 WeakPolarHBondContact O-CB 3.34Å; R383-L387 PolarHBondContact O-N 3Å
384	M	93.8	Very high	94.5	Very high	82 Å²	82	46.3 Å²	46.3	40%	0.404	26%	0.261	S	S	.	.	H	α-helix	trans	-65.6	-43.2	-179.8	-77.1	-57	-58.8	0	0	112.3	N380 T381 T382 L387 R388	N380-M384 WeakPolarHBondContact O-CB 3.44Å; N380-M384 VanDerWaalsContact O-CG 3.27Å; N380-M384 WeakPolarHBondContact O-CG 3.24Å; N380-M384 PolarHBondContact O-N 3.15Å; T381-M384 PolarHBondContact O-N 3.4Å; T382-M384 VanDerWaalsContact C-N 3.31Å; T382-M384 PolarHBondContact O-N 2.85Å; M384-L387 PolarHBondContact O-N 3.45Å; M384-L387 HydrophobicContact SD-CD2 4.2Å; M384-R388 VanDerWaalsContact O-CG 3.29Å; M384-R388 WeakPolarHBondContact O-CG 3.32Å; M384-R388 PolarHBondContact O-N 3.03Å
385	S	93.9	Very high	94.5	Very high	17 Å²	17	47.6 Å²	47.6	12%	0.119	27%	0.267	C	S	.	.	H	α-helix	trans	-61.9	-48.6	175.6	-62.1	0	0	0	0	111.8	F49 T381 T382 L387 R388 M389	F49-S385 VanDerWaalsContact CZ-CB 3.44Å; T381-S385 PolarHBondContact O-N 3.45Å; T381-S385 VanDerWaalsContact O-N 3.1Å; T381-S385 PolarHBondContact O-OG 3.37Å; T382-S385 PolarHBondContact O-N 3.3Å; S385-L387 PolarHBondContact O-N 2.69Å; S385-R388 PolarHBondContact O-N 3.23Å; S385-M389 WeakPolarHBondContact O-CG 3.36Å; S385-M389 PolarHBondContact O-N 2.8Å
386	C	95.9	Very high	94.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.3	-42	176.2	-68.3	0	0	0	0	112.5	C341 L374 L378 T382 R388 M389 I390	C341-C386 WeakPolarHBondContact CA-SG 3.13Å; C341-C386 HydrophobicContact CB-CB 3.49Å; C341-C386 VanDerWaalsContact CB-CB 3.49Å; C341-C386 WeakPolarHBondContact CB-SG 3.46Å; C341-C386 VanDerWaalsContact SG-CA 3.53Å; C341-C386 WeakPolarHBondContact SG-CB 3.4Å; C341-C386 CovalentContact SG-SG 2.03Å; C341-C386 PolarHBondContact SG-SG 2.96Å; L374-C386 HydrophobicContact CD2-CB 3.75Å; L378-C386 HydrophobicContact CD1-CB 4.42Å; T382-C386 WeakPolarHBondContact O-CB 3.5Å; T382-C386 PolarHBondContact O-N 3.41Å; T382-C386 PolarHBondContact O-SG 2.87Å; C386-R388 VanDerWaalsContact C-N 3.32Å; C386-R388 PolarHBondContact O-N 3.12Å; C386-M389 WeakPolarHBondContact O-CB 3.26Å; C386-M389 PolarHBondContact O-N 3.2Å; C386-M389 VanDerWaalsContact O-N 3.16Å; C386-I390 PolarHBondContact O-N 2.84Å
387	L	95.7	Very high	94.8	Very high	16 Å²	16	41 Å²	41	8%	0.084	23%	0.228	C	C	.	.	H	α-helix	trans	-60	-42.8	178.5	179.9	62.2	0	0	0	111.5	I359 L374 R383 M384 S385 M389 I390 R391	I359-L387 HydrophobicContact CG2-CD1 3.32Å; L374-L387 HydrophobicContact CD1-CB 3.97Å; L374-L387 HydrophobicContact CD1-CD1 4.01Å; R383-L387 WeakPolarHBondContact O-CB 3.34Å; R383-L387 PolarHBondContact O-N 3Å; M384-L387 PolarHBondContact O-N 3.45Å; M384-L387 HydrophobicContact SD-CD2 4.2Å; S385-L387 PolarHBondContact O-N 2.69Å; L387-M389 VanDerWaalsContact C-N 3.29Å; L387-M389 PolarHBondContact O-N 3.22Å; L387-I390 PolarHBondContact O-N 3.46Å; L387-R391 WeakPolarHBondContact O-CB 3.44Å; L387-R391 PolarHBondContact O-N 3.4Å
388	R	95.6	Very high	94.9	Very high	43 Å²	43	39.5 Å²	39.5	16%	0.162	20%	0.2	C	C	.	.	H	α-helix	trans	-60.4	-37.9	176.8	-72.6	172	163	161.6	-3.7	112	N83 R87 D90 M384 S385 C386 I390 Y396	N83-R388 PolarHBondContact ND2-O 3.25Å; R87-R388 HydrophobicContact CG-CB 4.03Å; D90-R388 IonicContact OD1-NH2 2.72Å; D90-R388 IonicContact OD2-CZ 2.72Å; D90-R388 IonicContact OD2-NE 3.81Å; D90-R388 PolarHBondContact OD2-NE 3.15Å; D90-R388 IonicContact OD2-NH2 3.95Å; D90-R388 PolarHBondContact OD2-NH2 2.98Å; M384-R388 VanDerWaalsContact O-CG 3.29Å; M384-R388 WeakPolarHBondContact O-CG 3.32Å; M384-R388 PolarHBondContact O-N 3.03Å; S385-R388 PolarHBondContact O-N 3.23Å; C386-R388 VanDerWaalsContact C-N 3.32Å; C386-R388 PolarHBondContact O-N 3.12Å; R388-I390 VanDerWaalsContact C-N 3.31Å; R388-I390 PolarHBondContact O-N 3.19Å; R388-Y396 HydrophobicContact CB-CE1 4.19Å; R388-Y396 WeakPolarHBondContact CB-OH 3.26Å; R388-Y396 VanDerWaalsContact CG-OH 3.31Å; R388-Y396 WeakPolarHBondContact CG-OH 3.41Å; R388-Y396 WeakPolarHBondContact O-CE1 3.39Å
389	M	95.9	Very high	95	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.3	-30.1	178	-61.9	-171.8	74.1	0	0	114.4	F49 N83 V262 F264 L337 S385 C386 L387	F49-M389 HydrophobicContact CE1-SD 3.95Å; F49-M389 HydrophobicContact CZ-SD 4.33Å; N83-M389 PolarHBondContact OD1-O 2.9Å; V262-M389 HydrophobicContact CG1-CE 3.97Å; F264-M389 HydrophobicContact CD2-CB 3.71Å; F264-M389 HydrophobicContact CD2-CE 4.09Å; F264-M389 HydrophobicContact CD2-SD 4.47Å; F264-M389 HydrophobicContact CE1-CE 4.32Å; F264-M389 HydrophobicContact CE2-CB 3.76Å; F264-M389 HydrophobicContact CE2-CE 3.7Å; F264-M389 HydrophobicContact CE2-CG 4.4Å; F264-M389 HydrophobicContact CE2-SD 3.75Å; F264-M389 HydrophobicContact CZ-CE 3.82Å; F264-M389 HydrophobicContact CZ-SD 4.14Å; L337-M389 HydrophobicContact CB-CE 4.48Å; L337-M389 HydrophobicContact CB-SD 4.47Å; L337-M389 HydrophobicContact CD1-CE 3.74Å; L337-M389 HydrophobicContact CD1-SD 3.91Å; S385-M389 WeakPolarHBondContact O-CG 3.36Å; S385-M389 PolarHBondContact O-N 2.8Å; C386-M389 WeakPolarHBondContact O-CB 3.26Å; C386-M389 PolarHBondContact O-N 3.2Å; C386-M389 VanDerWaalsContact O-N 3.16Å; L387-M389 VanDerWaalsContact C-N 3.29Å; L387-M389 PolarHBondContact O-N 3.22Å
390	I	95.9	Very high	95.2	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-108	-6.8	-175.8	64.8	162.3	0	0	0	114.3	F264 L342 I359 Y372 L374 C386 L387 R388 P392	F264-I390 HydrophobicContact CD2-CG2 3.56Å; F264-I390 HydrophobicContact CE2-CG2 4.19Å; F264-I390 HydrophobicContact CG-CG2 4.49Å; L342-I390 HydrophobicContact CD2-CG2 3.58Å; I359-I390 HydrophobicContact CD1-CD1 3.7Å; Y372-I390 HydrophobicContact CD2-CB 4.35Å; Y372-I390 HydrophobicContact CD2-CG2 3.95Å; Y372-I390 HydrophobicContact CG-CG2 4.07Å; L374-I390 HydrophobicContact CD1-CD1 4.43Å; L374-I390 HydrophobicContact CD2-CD1 3.45Å; L374-I390 VanDerWaalsContact CD2-CD1 3.45Å; L374-I390 HydrophobicContact CD2-CG1 4.05Å; L374-I390 HydrophobicContact CG-CD1 3.65Å; C386-I390 PolarHBondContact O-N 2.84Å; L387-I390 PolarHBondContact O-N 3.46Å; R388-I390 VanDerWaalsContact C-N 3.31Å; R388-I390 PolarHBondContact O-N 3.19Å; I390-P392 WeakPolarHBondContact O-CD 3.17Å
391	R	96.1	Very high	95.3	Very high	20 Å²	20	30.3 Å²	30.3	8%	0.075	15%	0.152	C	C	.	.			trans	-64.5	122.1	-174.9	-171.4	177	-69.6	160.5	-6.3	110.2	N83 L387 Q395 Y396	N83-R391 PolarHBondContact ND2-O 3.29Å; L387-R391 WeakPolarHBondContact O-CB 3.44Å; L387-R391 PolarHBondContact O-N 3.4Å; R391-Q395 HydrophobicContact CG-CB 4.08Å; R391-Y396 HydrophobicContact CB-CD1 3.91Å; R391-Y396 HydrophobicContact CB-CG 4.28Å; R391-Y396 VanDerWaalsContact CD-CA 3.43Å; R391-Y396 HydrophobicContact CG-CD1 4.32Å; R391-Y396 HydrophobicContact CG-CG 4.19Å
392	P	95.1	Very high	95.5	Very high	9 Å²	9	28.6 Å²	28.6	6%	0.058	14%	0.144	C	C	.	.			trans	-65.7	153.7	177.4	-9.4	21.9	0	0	0	111.1	I359 I390 I394 Q395 Y396	I359-P392 WeakPolarHBondContact O-CG 3.43Å; I390-P392 WeakPolarHBondContact O-CD 3.17Å; P392-I394 VanDerWaalsContact C-N 3.34Å; P392-I394 PolarHBondContact O-N 3.48Å; P392-Q395 VanDerWaalsContact CB-OE1 3.31Å; P392-Q395 PolarHBondContact O-N 2.92Å; P392-Q395 PolarHBondContact O-OE1 2.87Å; P392-Y396 PolarHBondContact O-N 3.15Å
393	E	94.1	Very high	95.6	Very high	28 Å²	28	33.4 Å²	33.4	13%	0.131	16%	0.164	C	C	.	.	H	α-helix	trans	-53.6	-43.4	-169.7	173.1	-178	168.7	0	0	114.8	K72 S79 L82 Y396 K397	K72-E393 IonicContact NZ-OE1 3.12Å; K72-E393 PolarHBondContact NZ-OE1 3.26Å; K72-E393 IonicContact NZ-OE2 2.72Å; K72-E393 PolarHBondContact NZ-OE2 3.27Å; S79-E393 PolarHBondContact OG-OE2 3.44Å; L82-E393 HydrophobicContact CD2-CG 3.74Å; L82-E393 WeakPolarHBondContact CD2-OE1 3.47Å; E393-Y396 PolarHBondContact O-N 3.45Å; E393-K397 VanDerWaalsContact O-CB 3.32Å; E393-K397 WeakPolarHBondContact O-CB 3.44Å; E393-K397 PolarHBondContact O-N 2.88Å
394	I	93.8	Very high	95.6	Very high	57 Å²	57	31.1 Å²	31.1	29%	0.292	16%	0.157	S	C	.	.	H	α-helix	trans	-59.4	-53.9	-178.9	-71	175.5	0	0	0	109.3	Y102 F362 P392 Y396 K397 D398	Y102-I394 HydrophobicContact CD1-CB 4.43Å; Y102-I394 HydrophobicContact CD1-CG1 4.29Å; Y102-I394 HydrophobicContact CD1-CG2 4.04Å; Y102-I394 HydrophobicContact CE1-CB 4.33Å; Y102-I394 HydrophobicContact CE1-CG2 3.5Å; F362-I394 HydrophobicContact CB-CD1 4.09Å; F362-I394 HydrophobicContact CD2-CD1 4.47Å; F362-I394 HydrophobicContact CG-CD1 4.3Å; P392-I394 VanDerWaalsContact C-N 3.34Å; P392-I394 PolarHBondContact O-N 3.48Å; I394-Y396 VanDerWaalsContact C-N 3.34Å; I394-Y396 PolarHBondContact O-N 3.02Å; I394-K397 PolarHBondContact O-N 2.89Å; I394-D398 PolarHBondContact O-N 2.95Å; I394-D398 VanDerWaalsContact O-N 3.08Å
395	Q	95.8	Very high	95.6	Very high	40 Å²	40	28.6 Å²	28.6	19%	0.187	14%	0.144	C	C	.	.	H	α-helix	trans	-68.2	-34.2	-178.4	-62.3	93.9	-31.6	0	0	112.1	N358 R360 R391 P392 D398 V399	N358-Q395 WeakPolarHBondContact O-CB 3.18Å; N358-Q395 VanDerWaalsContact O-CG 3.26Å; N358-Q395 WeakPolarHBondContact O-CG 3.37Å; R360-Q395 PolarHBondContact O-NE2 2.95Å; R391-Q395 HydrophobicContact CG-CB 4.08Å; P392-Q395 VanDerWaalsContact CB-OE1 3.31Å; P392-Q395 PolarHBondContact O-N 2.92Å; P392-Q395 PolarHBondContact O-OE1 2.87Å; Q395-D398 PolarHBondContact O-N 3.36Å; Q395-V399 WeakPolarHBondContact O-CG2 3.48Å; Q395-V399 PolarHBondContact O-N 3.38Å
396	Y	97.1	Very high	95.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-68.6	-43.4	175.4	-147.4	153.6	0	0	0	111.1	Y86 R87 D90 R388 R391 P392 E393 I394 D398 V399 L400	Y86-Y396 HydrophobicContact CD2-CD1 4.18Å; Y86-Y396 HydrophobicContact CD2-CD2 4.42Å; Y86-Y396 AromaticContact CD2-CG 3.89Å; Y86-Y396 HydrophobicContact CD2-CG 3.89Å; R87-Y396 WeakPolarHBondContact CA-OH 3.3Å; R87-Y396 HydrophobicContact CG-CE1 3.81Å; D90-Y396 HydrophobicContact CB-CE2 4.46Å; D90-Y396 PolarHBondContact OD2-OH 2.87Å; R388-Y396 HydrophobicContact CB-CE1 4.19Å; R388-Y396 WeakPolarHBondContact CB-OH 3.26Å; R388-Y396 VanDerWaalsContact CG-OH 3.31Å; R388-Y396 WeakPolarHBondContact CG-OH 3.41Å; R388-Y396 WeakPolarHBondContact O-CE1 3.39Å; R391-Y396 HydrophobicContact CB-CD1 3.91Å; R391-Y396 HydrophobicContact CB-CG 4.28Å; R391-Y396 VanDerWaalsContact CD-CA 3.43Å; R391-Y396 HydrophobicContact CG-CD1 4.32Å; R391-Y396 HydrophobicContact CG-CG 4.19Å; P392-Y396 PolarHBondContact O-N 3.15Å; E393-Y396 PolarHBondContact O-N 3.45Å; I394-Y396 VanDerWaalsContact C-N 3.34Å; I394-Y396 PolarHBondContact O-N 3.02Å; Y396-D398 VanDerWaalsContact C-N 3.26Å; Y396-D398 PolarHBondContact O-N 3.2Å; Y396-V399 PolarHBondContact O-N 3Å; Y396-V399 VanDerWaalsContact O-N 3.09Å; Y396-L400 HydrophobicContact CD2-CD1 4.4Å; Y396-L400 HydrophobicContact CD2-CD2 4.39Å; Y396-L400 HydrophobicContact CD2-CG 4.04Å; Y396-L400 HydrophobicContact CE2-CD2 4.14Å; Y396-L400 HydrophobicContact CE2-CG 4.28Å; Y396-L400 WeakPolarHBondContact O-CG 3.44Å; Y396-L400 PolarHBondContact O-N 3.21Å
397	K	96.8	Very high	94	Very high	13 Å²	13	40 Å²	40	6%	0.057	20%	0.203	C	C	.	.	H	α-helix	trans	-57.9	-38.7	174.6	171.8	-102.1	150.2	-171.8	0	111.7	Y86 L98 G101 Y102 E393 I394 V399 L400 D401	Y86-K397 HydrophobicContact CE2-CB 4.25Å; L98-K397 HydrophobicContact CD2-CG 4.27Å; G101-K397 WeakPolarHBondContact O-CE 3.48Å; G101-K397 PolarHBondContact O-NZ 3.2Å; Y102-K397 HydrophobicContact CD1-CD 3.67Å; Y102-K397 HydrophobicContact CE1-CD 3.97Å; E393-K397 VanDerWaalsContact O-CB 3.32Å; E393-K397 WeakPolarHBondContact O-CB 3.44Å; E393-K397 PolarHBondContact O-N 2.88Å; I394-K397 PolarHBondContact O-N 2.89Å; K397-V399 VanDerWaalsContact C-N 3.35Å; K397-V399 PolarHBondContact O-N 3.13Å; K397-L400 PolarHBondContact O-N 3.43Å; K397-D401 VanDerWaalsContact O-CB 3.27Å; K397-D401 WeakPolarHBondContact O-CB 3.47Å; K397-D401 PolarHBondContact O-N 2.73Å
398	D	95.9	Very high	92.2	Very high	54 Å²	54	46.2 Å²	46.2	29%	0.289	23%	0.229	S	C	.	.	H	α-helix	trans	-68.1	-33.5	177.1	-66.2	-22.4	0	0	0	113.1	Y102 I394 Q395 Y396 S402	Y102-D398 WeakPolarHBondContact CE1-OD1 3.34Å; Y102-D398 PolarHBondContact OH-OD2 3.07Å; I394-D398 PolarHBondContact O-N 2.95Å; I394-D398 VanDerWaalsContact O-N 3.08Å; Q395-D398 PolarHBondContact O-N 3.36Å; Y396-D398 VanDerWaalsContact C-N 3.26Å; Y396-D398 PolarHBondContact O-N 3.2Å; D398-S402 WeakPolarHBondContact O-CB 3.26Å; D398-S402 PolarHBondContact O-N 3.34Å; D398-S402 PolarHBondContact O-OG 3.17Å
399	V	95.9	Very high	90.4	Very high	43 Å²	43	48.3 Å²	48.3	26%	0.261	24%	0.241	S	C	.	.	H	α-helix	trans	-67	-45.5	172	171.2	0	0	0	0	111.2	Q395 Y396 K397 D401 S402 K403	Q395-V399 WeakPolarHBondContact O-CG2 3.48Å; Q395-V399 PolarHBondContact O-N 3.38Å; Y396-V399 PolarHBondContact O-N 3Å; Y396-V399 VanDerWaalsContact O-N 3.09Å; K397-V399 VanDerWaalsContact C-N 3.35Å; K397-V399 PolarHBondContact O-N 3.13Å; V399-D401 VanDerWaalsContact C-N 3.35Å; V399-S402 PolarHBondContact O-N 2.55Å; V399-K403 HydrophobicContact CG1-CD 4.39Å; V399-K403 WeakPolarHBondContact O-CG 3.4Å; V399-K403 PolarHBondContact O-N 3.31Å
400	L	97.4	Very high	88	Confident	6 Å²	6	52.3 Å²	52.3	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-64	-41.5	177.1	-64.6	178.5	0	0	0	111.5	Y86 D90 F96 L98 Y396 K397 K403 Q404	Y86-L400 HydrophobicContact CD1-CD1 3.37Å; Y86-L400 HydrophobicContact CD2-CD1 3.94Å; Y86-L400 HydrophobicContact CE1-CD1 3.7Å; Y86-L400 HydrophobicContact CE2-CD1 4.24Å; Y86-L400 HydrophobicContact CG-CD1 3.48Å; Y86-L400 VanDerWaalsContact CG-CD1 3.48Å; D90-L400 HydrophobicContact CB-CD2 3.99Å; F96-L400 HydrophobicContact CD1-CD1 4.21Å; F96-L400 HydrophobicContact CD2-CD1 3.99Å; F96-L400 HydrophobicContact CD2-CD2 4.19Å; F96-L400 HydrophobicContact CD2-CG 4.47Å; F96-L400 HydrophobicContact CE1-CD1 4.1Å; F96-L400 HydrophobicContact CE2-CD1 3.85Å; F96-L400 HydrophobicContact CE2-CD2 3.68Å; F96-L400 HydrophobicContact CE2-CG 4.31Å; F96-L400 HydrophobicContact CG-CD1 4.15Å; F96-L400 HydrophobicContact CZ-CD1 3.89Å; F96-L400 HydrophobicContact CZ-CD2 4.2Å; L98-L400 HydrophobicContact CD1-CB 3.96Å; Y396-L400 HydrophobicContact CD2-CD1 4.4Å; Y396-L400 HydrophobicContact CD2-CD2 4.39Å; Y396-L400 HydrophobicContact CD2-CG 4.04Å; Y396-L400 HydrophobicContact CE2-CD2 4.14Å; Y396-L400 HydrophobicContact CE2-CG 4.28Å; Y396-L400 WeakPolarHBondContact O-CG 3.44Å; Y396-L400 PolarHBondContact O-N 3.21Å; K397-L400 PolarHBondContact O-N 3.43Å; L400-K403 PolarHBondContact O-N 3.41Å; L400-Q404 WeakPolarHBondContact O-CB 3.17Å; L400-Q404 PolarHBondContact O-N 2.76Å
401	D	96.6	Very high	85.3	Confident	8 Å²	8	57.9 Å²	57.9	4%	0.043	30%	0.303	C	S	.	.	H	α-helix	trans	-61.3	-46.5	177.5	-174.3	84.1	0	0	0	111.5	L98 K116 K397 V399 K403 Q404 F405 H409	L98-D401 HydrophobicContact CD1-CB 4.1Å; K116-D401 WeakPolarHBondContact CD-OD1 3.25Å; K116-D401 WeakPolarHBondContact CE-OD1 3.33Å; K116-D401 IonicContact NZ-OD1 3.59Å; K116-D401 PolarHBondContact NZ-OD1 2.97Å; K116-D401 IonicContact NZ-OD2 3.64Å; K116-D401 PolarHBondContact NZ-OD2 3.4Å; K397-D401 VanDerWaalsContact O-CB 3.27Å; K397-D401 WeakPolarHBondContact O-CB 3.47Å; K397-D401 PolarHBondContact O-N 2.73Å; V399-D401 VanDerWaalsContact C-N 3.35Å; D401-K403 VanDerWaalsContact C-N 3.33Å; D401-K403 PolarHBondContact O-N 3Å; D401-Q404 PolarHBondContact O-N 3.21Å; D401-F405 WeakPolarHBondContact O-CB 3.45Å; D401-F405 PolarHBondContact O-N 3.36Å; D401-H409 IonicContact OD2-CD2 3.44Å; D401-H409 IonicContact OD2-CE1 2.8Å; D401-H409 IonicContact OD2-NE2 2.73Å; D401-H409 PolarHBondContact OD2-NE2 3.34Å
402	S	95.7	Very high	82.5	Confident	55 Å²	55	62 Å²	62	39%	0.385	33%	0.332	S	S	.	.	H	α-helix	trans	-61.9	-40.2	177.2	-58.7	0	0	0	0	112.4	D398 V399	D398-S402 WeakPolarHBondContact O-CB 3.26Å; D398-S402 PolarHBondContact O-N 3.34Å; D398-S402 PolarHBondContact O-OG 3.17Å; V399-S402 PolarHBondContact O-N 2.55Å
403	K	95.2	Very high	80	Confident	116 Å²	116	65.3 Å²	65.3	50%	0.504	36%	0.36	S	S	.	.	H	α-helix	trans	-67.4	-43.5	177.3	-75.5	-176.4	177	-167.4	0	112.5	D90 V399 L400 D401	D90-K403 IonicContact OD1-NZ 3.87Å; D90-K403 PolarHBondContact OD1-NZ 2.92Å; D90-K403 IonicContact OD2-NZ 2.79Å; D90-K403 PolarHBondContact OD2-NZ 3.21Å; V399-K403 HydrophobicContact CG1-CD 4.39Å; V399-K403 WeakPolarHBondContact O-CG 3.4Å; V399-K403 PolarHBondContact O-N 3.31Å; L400-K403 PolarHBondContact O-N 3.41Å; D401-K403 VanDerWaalsContact C-N 3.33Å; D401-K403 PolarHBondContact O-N 3Å
404	Q	95.7	Very high	77.2	Confident	42 Å²	42	72.7 Å²	72.7	20%	0.196	39%	0.394	C	S	.	.	H	α-helix	trans	-82	-26.7	-174.4	-169.8	170.2	-66.3	0	0	113	R95 F96 L400 D401 P406	R95-Q404 VanDerWaalsContact CG-CD 3.42Å; R95-Q404 HydrophobicContact CG-CG 4.22Å; R95-Q404 VanDerWaalsContact CG-OE1 3.27Å; F96-Q404 PolarHBondContact O-NE2 3.13Å; L400-Q404 WeakPolarHBondContact O-CB 3.17Å; L400-Q404 PolarHBondContact O-N 2.76Å; D401-Q404 PolarHBondContact O-N 3.21Å; Q404-P406 VanDerWaalsContact C-CD 3.49Å
405	F	93.3	Very high	74.5	Confident	29 Å²	29	76.9 Å²	76.9	13%	0.127	41%	0.413	C	S	.	.			trans	-130.7	59.9	-174.9	-55.3	-71.6	0	0	0	112.9	L98 K116 D401 Q407 F408	L98-F405 HydrophobicContact CD1-CE2 4.38Å; K116-F405 HydrophobicContact CB-CE2 4.16Å; K116-F405 HydrophobicContact CB-CZ 4.19Å; K116-F405 HydrophobicContact CD-CD2 3.75Å; K116-F405 HydrophobicContact CD-CE2 3.82Å; K116-F405 HydrophobicContact CD-CG 4.23Å; K116-F405 HydrophobicContact CD-CZ 4.37Å; K116-F405 HydrophobicContact CG-CD2 4.25Å; K116-F405 HydrophobicContact CG-CE1 4.36Å; K116-F405 HydrophobicContact CG-CE2 3.92Å; K116-F405 HydrophobicContact CG-CZ 3.97Å; K116-F405 WeakPolarHBondContact O-CZ 3.19Å; D401-F405 WeakPolarHBondContact O-CB 3.45Å; D401-F405 PolarHBondContact O-N 3.36Å; F405-Q407 VanDerWaalsContact C-N 3.32Å; F405-Q407 PolarHBondContact O-N 3.26Å; F405-F408 HydrophobicContact CB-CD2 4.08Å; F405-F408 PolarHBondContact O-N 3.16Å
406	P	86.3	Confident	71.8	Confident	84 Å²	84	81 Å²	81	55%	0.545	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-62.9	-34.2	-172	24.2	-34.4	0	0	0	113.8	Q404 F408 H409	Q404-P406 VanDerWaalsContact C-CD 3.49Å; P406-F408 PolarHBondContact O-N 3.14Å; P406-H409 PolarHBondContact O-N 2.84Å
407	Q	69.9	Low	68.7	Low	174 Å²	174	85.3 Å²	85.3	81%	0.813	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-67.4	-21.1	-177.4	-63.4	-175.1	-0.5	0	0	113.7	F405 H409	F405-Q407 VanDerWaalsContact C-N 3.32Å; F405-Q407 PolarHBondContact O-N 3.26Å; Q407-H409 VanDerWaalsContact C-N 3.33Å
408	F	59	Low	65.5	Low	146 Å²	146	92.4 Å²	92.4	64%	0.64	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-81.8	-10.5	179.8	-76.6	-87.9	0	0	0	113.7	F405 P406	F405-F408 HydrophobicContact CB-CD2 4.08Å; F405-F408 PolarHBondContact O-N 3.16Å; P406-F408 PolarHBondContact O-N 3.14Å
409	H	56.7	Low	62.6	Low	87 Å²	87	100.1 Å²	100.1	40%	0.403	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-104.4	3.5	180	-68.8	-71.3	0	0	0	113.4	D401 P406 Q407 I411	D401-H409 IonicContact OD2-CD2 3.44Å; D401-H409 IonicContact OD2-CE1 2.8Å; D401-H409 IonicContact OD2-NE2 2.73Å; D401-H409 PolarHBondContact OD2-NE2 3.34Å; P406-H409 PolarHBondContact O-N 2.84Å; Q407-H409 VanDerWaalsContact C-N 3.33Å; H409-I411 VanDerWaalsContact C-N 3.29Å; H409-I411 PolarHBondContact O-N 3.4Å
410	A	44.8	Very low	59.6	Low	84 Å²	84	104.3 Å²	104.3	69%	0.694	54%	0.541	S	S	*	.			trans	-84.7	12.6	180	0	0	0	0	0	114.6
411	I	40.1	Very low	56.3	Low	121 Å²	121	109.8 Å²	109.8	62%	0.621	57%	0.569	S	S	*	*	S	Bend	trans	-99.8	128.8	177.1	-56.1	180	0	0	0	109.4	H409	H409-I411 VanDerWaalsContact C-N 3.29Å; H409-I411 PolarHBondContact O-N 3.4Å
412	P	37.7	Very low	53.4	Low	106 Å²	106	115.3 Å²	115.3	69%	0.688	60%	0.603	S	S	*	*			trans	-58	147.1	-171.6	-24	32.2	0	0	0	115.4	Q414	P412-Q414 PolarHBondContact O-N 3.12Å
413	A	41.4	Very low	50.6	Low	79 Å²	79	116.1 Å²	116.1	65%	0.653	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	9	-170.8	0	0	0	0	0	117.6
414	Q	36.4	Very low	47.8	Very low	183 Å²	183	115.5 Å²	115.5	86%	0.855	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-7.9	-178.8	-109.9	173.7	-20	0	0	114.6	P412	P412-Q414 PolarHBondContact O-N 3.12Å
415	Q	37.2	Very low	44.7	Very low	145 Å²	145	116 Å²	116	68%	0.678	64%	0.635	S	S	*	*	S	Bend	trans	-112.6	-0.5	175.9	-82.6	179.3	-14.6	0	0	114.7
416	Q	38.8	Very low	41.7	Very low	126 Å²	126	118 Å²	118	59%	0.589	67%	0.665	S	S	*	*	S	Bend	trans	-80.1	-19.4	-179.2	-97.4	174.1	-13.4	0	0	114	Q418	Q416-Q418 PolarHBondContact O-N 2.69Å
417	S	30.8	Very low	39	Very low	90 Å²	90	120 Å²	120	63%	0.629	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-18.5	-178.8	54.2	0	0	0	0	114.4
418	Q	30.6	Very low	37.1	Very low	162 Å²	162	120.5 Å²	120.5	76%	0.757	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-12.8	177.8	-88.2	176.2	-16.7	0	0	114.7	Q416	Q416-Q418 PolarHBondContact O-N 2.69Å
419	R	34.2	Very low	35.6	Very low	216 Å²	216	120.9 Å²	120.9	82%	0.815	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	-13.4	180	-74.6	-173.3	176.8	-176.2	0.9	114.7	L421	R419-L421 VanDerWaalsContact C-N 3.34Å
420	L	33	Very low	34.1	Very low	132 Å²	132	126.2 Å²	126.2	69%	0.691	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-18.1	-178.4	-140.7	78.6	0	0	0	113.7
421	L	29.4	Very low	33.2	Very low	120 Å²	120	131 Å²	131	63%	0.628	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-4.7	-177.5	-79.4	158.9	0	0	0	114.6	R419	R419-L421 VanDerWaalsContact C-N 3.34Å
422	V	34.2	Very low	32.6	Very low	125 Å²	125	133.7 Å²	133.7	76%	0.758	72%	0.722	S	S	*	*	S	Bend	trans	-103.5	-13.1	-179.3	-177.2	0	0	0	0	112.4
423	A	37.7	Very low	32.2	Very low	72 Å²	72	133.9 Å²	133.9	60%	0.595	72%	0.723	S	S	*	*	S	Bend	trans	-93.3	-5.4	-177.9	0	0	0	0	0	114.7
424	V	37.4	Very low	31.6	Very low	102 Å²	102	136.1 Å²	136.1	62%	0.618	73%	0.732	S	S	*	*	S	Bend	trans	-129.6	90.4	176.9	-172.6	0	0	0	0	108.3
425	G	30.7	Very low	31.4	Very low	53 Å²	53	139.3 Å²	139.3	55%	0.546	74%	0.736	S	S	.	*			trans	58.8	95.7	167.2	0	0	0	0	0	115.8	T427	G425-T427 VanDerWaalsContact C-N 3.33Å; G425-T427 PolarHBondContact O-N 2.71Å
426	G	30.3	Very low	31.2	Very low	72 Å²	72	142.1 Å²	142.1	74%	0.742	75%	0.746	S	S	*	*			trans	-61.6	94.9	162.3	0	0	0	0	0	110.9
427	T	28.7	Very low	30.8	Very low	126 Å²	126	139.9 Å²	139.9	77%	0.773	76%	0.757	S	S	*	*			trans	-146.4	101.8	161.5	20.8	0	0	0	0	106.8	G425	G425-T427 VanDerWaalsContact C-N 3.33Å; G425-T427 PolarHBondContact O-N 2.71Å
428	F	29	Very low	30.9	Very low	184 Å²	184	147.5 Å²	147.5	81%	0.807	77%	0.771	S	S	*	*			trans	-101.4	112.1	159.1	-93.9	-81.6	0	0	0	107.7
429	I	28.6	Very low	31	Very low	154 Å²	154	149 Å²	149	79%	0.79	78%	0.775	S	S	*	*			trans	-76.5	118.5	153.1	-66.6	177.1	0	0	0	105.2	Q431	I429-Q431 PolarHBondContact O-N 3.28Å
430	K	25.6	Very low	30.8	Very low	199 Å²	199	146.9 Å²	146.9	87%	0.865	78%	0.775	S	S	*	*			trans	-73.1	108.4	176.2	-145	179.8	-174.4	-174.4	0	107.4
431	Q	25.8	Very low	30.8	Very low	183 Å²	183	146.8 Å²	146.8	86%	0.855	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-85.5	119.4	161	-81.4	-176	-21.2	0	0	107.5	I429	I429-Q431 PolarHBondContact O-N 3.28Å
432	E	26.7	Very low	31	Very low	178 Å²	178	145.1 Å²	145.1	83%	0.832	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-69.7	142.6	170.6	-73.5	-170.3	145	0	0	110.7
433	P	30.4	Very low	30.9	Very low	110 Å²	110	146.7 Å²	146.7	71%	0.714	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-79	152.9	170.3	32.6	-30.9	0	0	0	110.7	R435	P433-R435 PolarHBondContact O-N 3.24Å
434	P	28.8	Very low	30.5	Very low	127 Å²	127	150.4 Å²	150.4	83%	0.825	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-66.7	127.9	-178.5	27.1	-31.6	0	0	0	110.6	K436	P434-K436 PolarHBondContact O-N 3.35Å
435	R	31.3	Very low	30.2	Very low	249 Å²	249	152.9 Å²	152.9	94%	0.94	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-59.6	118.7	172.4	-84.1	-179.2	174.2	175.1	-1.9	109.8	P433 G437	P433-R435 PolarHBondContact O-N 3.24Å; R435-G437 PolarHBondContact O-N 3.29Å
436	K	32.8	Very low	30.1	Very low	205 Å²	205	158.5 Å²	158.5	89%	0.891	87%	0.874	S	S	*	*	P	Polyproline II helix	trans	-64	116.2	159.5	-82.8	-178.2	175.2	179.1	0	108.1	P434	P434-K436 PolarHBondContact O-N 3.35Å
437	G	31.6	Very low	30.1	Very low	79 Å²	79	163.6 Å²	163.6	81%	0.814	88%	0.882	S	S	*	*	P	Polyproline II helix	trans	-67.3	130.4	165.7	0	0	0	0	0	110.4	R435	R435-G437 PolarHBondContact O-N 3.29Å
438	R	31	Very low	30.2	Very low	250 Å²	250	165.9 Å²	165.9	94%	0.943	89%	0.889	S	S	*	*			trans	-142.9	135.6	150.3	-145.2	174.9	-173.1	-179.6	0.3	108.7
439	K	33.4	Very low	30.3	Very low	192 Å²	192	164.7 Å²	164.7	84%	0.835	89%	0.894	S	S	*	*			trans	-62.4	171.7	-170.2	-68.6	173.2	168	-179.8	0	114.4
440	E	30.7	Very low	30.4	Very low	172 Å²	172	165.5 Å²	165.5	80%	0.804	90%	0.902	S	S	*	*			trans	110.1	133.4	150.8	-65	174	-170.1	0	0	113.8
441	T	32.9	Very low	30.8	Very low	130 Å²	130	162.9 Å²	162.9	80%	0.798	90%	0.904	S	S	*	*			cis	-175.9	145.4	-8.9	19.1	0	0	0	0	105.9
442	G	32.9	Very low	31.2	Very low	86 Å²	86	161.3 Å²	161.3	89%	0.887	91%	0.908	S	S	*	*			trans	77.2	124.9	144.8	0	0	0	0	0	118.7
443	G	31.7	Very low	31.6	Very low	157 Å²	157	159.7 Å²	159.7	100%	1.619	92%	0.915	S	S	*	*			trans	146.1	0	166.9	0	0	0	0	0	111.5

Retrieved 443 of 443 residues in 617.5 ms (Link to these results)

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