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Protein farnesyltransferase subunit beta

Catalyzes the transfer of a farnesyl moiety from farnesyl diphosphate to a cysteine at the fourth position from the C-terminus of several proteins. The beta subunit is responsible for peptide-binding.

AlphaFold DB , UniProt , Accession A0A077ZD57, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 461 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	33.8	Very low	39.7	Very low	236 Å²	236	111.2 Å²	111.2	100%	1.163	59%	0.589	S	S	*	*				0	121.9	0	-81.3	173.2	-172.2	0	0	105.9
2	Y	29.8	Very low	40.2	Very low	238 Å²	238	106.6 Å²	106.6	93%	0.933	59%	0.588	S	S	*	*			trans	-68.2	132.1	176.4	-80.6	-89.9	0	0	0	109.1	S4	Y2-S4 PolarHBondContact O-N 2.81Å; Y2-S4 VanDerWaalsContact O-N 3.08Å
3	H	37.2	Very low	40.7	Very low	147 Å²	147	110.4 Å²	110.4	68%	0.681	60%	0.599	S	S	*	*			trans	-61.3	103.9	168.9	-67.9	-80.3	0	0	0	108.1
4	S	38	Very low	41.2	Very low	105 Å²	105	102.8 Å²	102.8	73%	0.734	56%	0.559	S	S	*	*			trans	-74.8	128.8	158.5	55.5	0	0	0	0	107	Y2 S6	Y2-S4 PolarHBondContact O-N 2.81Å; Y2-S4 VanDerWaalsContact O-N 3.08Å; S4-S6 VanDerWaalsContact C-N 3.29Å; S4-S6 PolarHBondContact O-N 3.43Å
5	D	40.9	Very low	41.6	Very low	141 Å²	141	101.1 Å²	101.1	75%	0.754	55%	0.546	S	S	*	.			trans	-51.5	85.1	178.7	-77.5	-42.1	0	0	0	112.2	A7	D5-A7 PolarHBondContact O-N 2.62Å
6	S	41.6	Very low	42.4	Very low	33 Å²	33	103.5 Å²	103.5	23%	0.231	56%	0.559	C	S	.	*	G	3₁₀ helix	trans	-77.2	-8.8	172.2	69.6	0	0	0	0	112	S4 S8 F9 R25 E47	S4-S6 VanDerWaalsContact C-N 3.29Å; S4-S6 PolarHBondContact O-N 3.43Å; S6-S8 VanDerWaalsContact C-N 3.25Å; S6-S8 PolarHBondContact O-N 2.83Å; S6-F9 PolarHBondContact O-N 2.95Å; S6-R25 PolarHBondContact OG-NH2 3.44Å; S6-E47 WeakPolarHBondContact CB-OE1 3.46Å; S6-E47 PolarHBondContact OG-OE1 3.4Å; S6-E47 PolarHBondContact OG-OE2 2.8Å
7	A	42.2	Very low	43.3	Very low	35 Å²	35	100.5 Å²	100.5	29%	0.289	54%	0.542	S	S	.	.	G	3₁₀ helix	trans	-63.3	-28.6	176.4	0	0	0	0	0	112.7	D5 F9 L10 S11	D5-A7 PolarHBondContact O-N 2.62Å; A7-F9 PolarHBondContact O-N 2.82Å; A7-L10 PolarHBondContact O-N 3.1Å; A7-S11 PolarHBondContact O-N 3.24Å
8	S	43.5	Very low	44.3	Very low	89 Å²	89	95.7 Å²	95.7	62%	0.622	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-69.4	-15.4	-178.3	74.3	0	0	0	0	114	S6 S11	S6-S8 VanDerWaalsContact C-N 3.25Å; S6-S8 PolarHBondContact O-N 2.83Å; S8-S11 PolarHBondContact O-OG 3.05Å
9	F	43.4	Very low	45.2	Very low	116 Å²	116	94.7 Å²	94.7	51%	0.509	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-81	-30.1	178	-173.7	-100	0	0	0	112.4	S6 A7 K51	S6-F9 PolarHBondContact O-N 2.95Å; A7-F9 PolarHBondContact O-N 2.82Å; F9-K51 HydrophobicContact CD1-CG 4.23Å; F9-K51 HydrophobicContact CE1-CG 4.34Å
10	L	43.3	Very low	46.2	Very low	8 Å²	8	90.4 Å²	90.4	4%	0.042	48%	0.484	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-13.7	-178	-65.6	176.2	0	0	0	113.4	A7 G12 I20	A7-L10 PolarHBondContact O-N 3.1Å; L10-G12 PolarHBondContact O-N 3.01Å; L10-I20 HydrophobicContact CD1-CB 4.25Å; L10-I20 HydrophobicContact CD1-CG2 3.56Å
11	S	42.7	Very low	47.5	Very low	75 Å²	75	87.5 Å²	87.5	52%	0.524	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	92.1	177.1	61.7	0	0	0	0	110.5	A7 S8	A7-S11 PolarHBondContact O-N 3.24Å; S8-S11 PolarHBondContact O-OG 3.05Å
12	G	46.8	Very low	49.4	Very low	56 Å²	56	79.6 Å²	79.6	58%	0.577	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	149.1	-51	172.9	0	0	0	0	0	114.9	L10	L10-G12 PolarHBondContact O-N 3.01Å
13	Q	46.5	Very low	51.9	Low	156 Å²	156	72.2 Å²	72.2	73%	0.729	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.6	-21.9	-171	-64.5	-171.6	2.3	0	0	115.2
14	G	47	Very low	54.4	Low	4 Å²	4	70.4 Å²	70.4	4%	0.041	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-29.8	178.1	0	0	0	0	0	113.5	D16 L17 F18	G14-D16 PolarHBondContact O-N 3.13Å; G14-L17 PolarHBondContact O-N 3.16Å; G14-F18 PolarHBondContact O-N 3.38Å; G14-F18 VanDerWaalsContact O-N 3.07Å
15	E	47.9	Very low	56.9	Low	78 Å²	78	68.4 Å²	68.4	36%	0.364	39%	0.391	S	S	.	.	H	α-helix	trans	-61.7	-41.6	-176.5	-73.3	-179.1	163.8	0	0	112.7	L17 H19	E15-L17 VanDerWaalsContact C-N 3.31Å; E15-L17 PolarHBondContact O-N 3.37Å; E15-H19 WeakPolarHBondContact O-CA 3.41Å; E15-H19 PolarHBondContact O-N 2.65Å
16	D	54.7	Low	59.3	Low	139 Å²	139	65.3 Å²	65.3	74%	0.743	37%	0.371	S	S	*	.	H	α-helix	trans	-66.7	-29.8	-178	-74.7	-13.3	0	0	0	113.6	G14	G14-D16 PolarHBondContact O-N 3.13Å
17	L	57.3	Low	61.6	Low	52 Å²	52	69.2 Å²	69.2	27%	0.272	39%	0.389	S	S	.	.	H	α-helix	trans	-93.4	-38.1	-177.1	-82.1	131.3	0	0	0	113.1	G14 E15 N356	G14-L17 PolarHBondContact O-N 3.16Å; E15-L17 VanDerWaalsContact C-N 3.31Å; E15-L17 PolarHBondContact O-N 3.37Å; L17-N356 VanDerWaalsContact O-CG 3.3Å; L17-N356 PolarHBondContact O-ND2 3.36Å
18	F	61	Low	63.9	Low	15 Å²	15	68.3 Å²	68.3	7%	0.066	38%	0.379	C	S	.	.	H	α-helix	trans	-109.1	-4.8	-170.5	-67.7	-76.3	0	0	0	114.5	G14 I20 V50 F53 P64 N356 V360	G14-F18 PolarHBondContact O-N 3.38Å; G14-F18 VanDerWaalsContact O-N 3.07Å; F18-I20 HydrophobicContact CB-CB 4.31Å; F18-I20 HydrophobicContact CB-CD1 3.64Å; F18-I20 HydrophobicContact CB-CG1 3.7Å; F18-I20 HydrophobicContact CG-CD1 4.33Å; F18-I20 PolarHBondContact O-N 2.64Å; F18-V50 HydrophobicContact CB-CG1 4.36Å; F18-V50 HydrophobicContact CD1-CG1 4.37Å; F18-V50 HydrophobicContact CD1-CG2 4Å; F18-V50 HydrophobicContact CD2-CG1 3.52Å; F18-V50 HydrophobicContact CE1-CG2 4.4Å; F18-V50 HydrophobicContact CE2-CG1 3.88Å; F18-V50 HydrophobicContact CG-CG1 3.81Å; F18-V50 HydrophobicContact CG-CG2 4.15Å; F18-V50 HydrophobicContact CZ-CG1 4.47Å; F18-F53 AromaticContact CE2-CD1 3.6Å; F18-F53 HydrophobicContact CE2-CD1 3.6Å; F18-F53 AromaticContact CE2-CE1 3.63Å; F18-F53 HydrophobicContact CE2-CE1 3.63Å; F18-F53 AromaticContact CZ-CD1 3.4Å; F18-F53 HydrophobicContact CZ-CD1 3.4Å; F18-F53 VanDerWaalsContact CZ-CD1 3.4Å; F18-F53 AromaticContact CZ-CE1 3.45Å; F18-F53 HydrophobicContact CZ-CE1 3.45Å; F18-F53 VanDerWaalsContact CZ-CE1 3.45Å; F18-F53 HydrophobicContact CZ-CG 4.37Å; F18-F53 HydrophobicContact CZ-CZ 4.47Å; F18-P64 HydrophobicContact CE1-CG 4.33Å; F18-P64 HydrophobicContact CZ-CG 3.96Å; F18-N356 HydrophobicContact CD1-CB 3.8Å; F18-N356 HydrophobicContact CE1-CB 3.87Å; F18-V360 HydrophobicContact CE1-CB 3.96Å; F18-V360 HydrophobicContact CE1-CG1 4.28Å; F18-V360 HydrophobicContact CE1-CG2 3.4Å; F18-V360 VanDerWaalsContact CE1-CG2 3.4Å; F18-V360 HydrophobicContact CZ-CB 4.48Å; F18-V360 HydrophobicContact CZ-CG2 3.62Å
19	H	62.3	Low	66.2	Low	77 Å²	77	67.9 Å²	67.9	36%	0.356	38%	0.376	S	S	.	.			trans	52	20.9	-171.5	-65.6	-70.4	0	0	0	113.2	E15 S21 Y24 D350	E15-H19 WeakPolarHBondContact O-CA 3.41Å; E15-H19 PolarHBondContact O-N 2.65Å; H19-S21 VanDerWaalsContact C-N 3.35Å; H19-S21 PolarHBondContact O-N 2.79Å; H19-Y24 WeakPolarHBondContact O-CD2 3.39Å; H19-D350 IonicContact CD2-OD2 3.9Å; H19-D350 PolarHBondContact CD2-OD2 3.28Å; H19-D350 IonicContact NE2-OD2 3.44Å
20	I	65.2	Low	68.3	Low	8 Å²	8	69.1 Å²	69.1	4%	0.041	39%	0.387	C	S	.	.			trans	-79.2	89.9	-179.8	-68.2	173.5	0	0	0	107.7	L10 F18 V46 V50 Y277	L10-I20 HydrophobicContact CD1-CB 4.25Å; L10-I20 HydrophobicContact CD1-CG2 3.56Å; F18-I20 HydrophobicContact CB-CB 4.31Å; F18-I20 HydrophobicContact CB-CD1 3.64Å; F18-I20 HydrophobicContact CB-CG1 3.7Å; F18-I20 HydrophobicContact CG-CD1 4.33Å; F18-I20 PolarHBondContact O-N 2.64Å; I20-V46 HydrophobicContact CD1-CG1 4.36Å; I20-V50 HydrophobicContact CD1-CB 3.75Å; I20-V50 HydrophobicContact CD1-CG1 3.86Å; I20-V50 HydrophobicContact CD1-CG2 3.24Å; I20-Y277 HydrophobicContact CG2-CD2 4.47Å; I20-Y277 HydrophobicContact CG2-CE2 3.6Å; I20-Y277 WeakPolarHBondContact CG2-OH 3.41Å
21	S	73.6	Confident	70.6	Confident	30 Å²	30	77.5 Å²	77.5	21%	0.21	42%	0.42	C	S	.	.			trans	-104.6	140.6	171.3	-176.7	0	0	0	0	109.9	H19 A23 Y24	H19-S21 VanDerWaalsContact C-N 3.35Å; H19-S21 PolarHBondContact O-N 2.79Å; S21-A23 PolarHBondContact O-N 3.18Å; S21-A23 VanDerWaalsContact O-N 3.16Å; S21-A23 WeakPolarHBondContact OG-CB 3.42Å; S21-A23 PolarHBondContact OG-N 3.01Å; S21-Y24 PolarHBondContact O-N 3.45Å
22	S	72.9	Confident	72.9	Confident	70 Å²	70	80.5 Å²	80.5	49%	0.49	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-56.1	-26.8	168.3	56.1	0	0	0	0	112.1	Y24 R25	S22-Y24 PolarHBondContact O-N 3.14Å; S22-R25 PolarHBondContact O-N 3.18Å
23	A	83.2	Confident	75.1	Confident	82 Å²	82	80.8 Å²	80.8	68%	0.678	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-66.2	-18.4	176.1	0	0	0	0	0	114	S21	S21-A23 PolarHBondContact O-N 3.18Å; S21-A23 VanDerWaalsContact O-N 3.16Å; S21-A23 WeakPolarHBondContact OG-CB 3.42Å; S21-A23 PolarHBondContact OG-N 3.01Å
24	Y	88.8	Confident	77.2	Confident	109 Å²	109	80.2 Å²	80.2	43%	0.427	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-100.2	-5	179.1	-61.6	-28.2	0	0	0	114	H19 S21 S22 R276	H19-Y24 WeakPolarHBondContact O-CD2 3.39Å; S21-Y24 PolarHBondContact O-N 3.45Å; S22-Y24 PolarHBondContact O-N 3.14Å; Y24-R276 HydrophobicContact CD1-CB 4.4Å; Y24-R276 HydrophobicContact CG-CB 4.08Å
25	R	90.2	Very high	79.3	Confident	64 Å²	64	83 Å²	83	24%	0.242	44%	0.436	C	S	.	.	S	Bend	trans	-59.1	145.6	175.6	-76.7	-173.9	178	-99.6	7.4	111.1	S6 S22 N27 E47 Y277	S6-R25 PolarHBondContact OG-NH2 3.44Å; S22-R25 PolarHBondContact O-N 3.18Å; R25-N27 PolarHBondContact O-N 3.12Å; R25-E47 IonicContact CZ-OE2 3.78Å; R25-E47 IonicContact NH1-OE2 3.39Å; R25-E47 IonicContact NH2-OE1 3.16Å; R25-E47 PolarHBondContact NH2-OE1 3.47Å; R25-E47 IonicContact NH2-OE2 3.42Å; R25-E47 PolarHBondContact NH2-OE2 3.37Å; R25-Y277 HydrophobicContact CB-CD2 4.47Å; R25-Y277 HydrophobicContact CG-CD2 3.64Å; R25-Y277 HydrophobicContact CG-CE2 3.46Å; R25-Y277 VanDerWaalsContact CG-CE2 3.46Å; R25-Y277 HydrophobicContact CG-CG 4.5Å; R25-Y277 PolarHBondContact NH2-OH 3.13Å
26	F	91.1	Very high	81.4	Confident	76 Å²	76	79.6 Å²	79.6	33%	0.333	42%	0.421	S	S	.	.			trans	-61.1	127.1	174.6	176.2	-104.6	0	0	0	111.3	D28 Q39 K40 E43	F26-D28 HydrophobicContact CE1-CB 3.73Å; F26-D28 HydrophobicContact CZ-CB 4.11Å; F26-Q39 HydrophobicContact CB-CG 3.61Å; F26-Q39 HydrophobicContact CD1-CB 4.1Å; F26-Q39 HydrophobicContact CD1-CG 3.8Å; F26-Q39 HydrophobicContact CD2-CG 3.97Å; F26-Q39 HydrophobicContact CE1-CB 4.4Å; F26-Q39 HydrophobicContact CE1-CG 4.45Å; F26-Q39 HydrophobicContact CG-CB 4.3Å; F26-Q39 HydrophobicContact CG-CG 3.52Å; F26-K40 HydrophobicContact CD1-CG 4.27Å; F26-E43 WeakPolarHBondContact CB-OE1 3.42Å; F26-E43 PolarHBondContact N-OE1 3.37Å; F26-E43 PolarHBondContact N-OE2 3.41Å; F26-E43 VanDerWaalsContact N-OE2 3.16Å
27	N	90.9	Very high	83.2	Confident	114 Å²	114	77.8 Å²	77.8	61%	0.61	41%	0.41	S	S	*	.			trans	-113.6	116.2	174.9	-175	-8.1	0	0	0	108.6	R25 C29	R25-N27 PolarHBondContact O-N 3.12Å; N27-C29 VanDerWaalsContact C-N 3.27Å; N27-C29 WeakPolarHBondContact OD1-CA 3.26Å; N27-C29 PolarHBondContact OD1-N 3.26Å
28	D	90.5	Very high	84.8	Confident	17 Å²	17	80.7 Å²	80.7	9%	0.091	42%	0.422	C	S	.	.			trans	-85.7	5.8	176.5	53.1	-8.8	0	0	0	113.6	F26 D30 Y31 H32 K40	F26-D28 HydrophobicContact CE1-CB 3.73Å; F26-D28 HydrophobicContact CZ-CB 4.11Å; D28-D30 PolarHBondContact O-N 3.36Å; D28-Y31 WeakPolarHBondContact O-CB 3.44Å; D28-Y31 PolarHBondContact O-N 2.88Å; D28-H32 IonicContact OD2-CE1 2.66Å; D28-H32 IonicContact OD2-CG 3.91Å; D28-H32 IonicContact OD2-ND1 3.37Å; D28-H32 PolarHBondContact OD2-ND1 3.43Å; D28-K40 IonicContact OD1-NZ 2.72Å; D28-K40 PolarHBondContact OD1-NZ 3.48Å; D28-K40 IonicContact OD2-NZ 3.71Å; D28-K40 PolarHBondContact OD2-NZ 2.89Å
29	C	90.2	Very high	86.4	Confident	80 Å²	80	80.7 Å²	80.7	54%	0.541	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	39.2	179.5	-58.5	0	0	0	0	112.7	N27 Y31	N27-C29 VanDerWaalsContact C-N 3.27Å; N27-C29 WeakPolarHBondContact OD1-CA 3.26Å; N27-C29 PolarHBondContact OD1-N 3.26Å; C29-Y31 HydrophobicContact CB-CD2 4.24Å; C29-Y31 WeakPolarHBondContact O-CD2 3.14Å; C29-Y31 WeakPolarHBondContact O-CE2 3.37Å; C29-Y31 PolarHBondContact O-N 2.9Å
30	D	89.3	Confident	87.9	Confident	141 Å²	141	79 Å²	79	75%	0.754	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	11.8	-175.3	-53.2	-50.5	0	0	0	115.3	D28	D28-D30 PolarHBondContact O-N 3.36Å
31	Y	91.5	Very high	89.1	Confident	184 Å²	184	81.8 Å²	81.8	72%	0.722	42%	0.424	S	S	*	.			trans	-99.8	82	172.8	-65.7	-83.2	0	0	0	111.4	D28 C29 T33	D28-Y31 WeakPolarHBondContact O-CB 3.44Å; D28-Y31 PolarHBondContact O-N 2.88Å; C29-Y31 HydrophobicContact CB-CD2 4.24Å; C29-Y31 WeakPolarHBondContact O-CD2 3.14Å; C29-Y31 WeakPolarHBondContact O-CE2 3.37Å; C29-Y31 PolarHBondContact O-N 2.9Å; Y31-T33 PolarHBondContact O-N 3.12Å
32	H	90.6	Very high	90.1	Very high	138 Å²	138	80.8 Å²	80.8	64%	0.639	42%	0.416	S	S	*	.			trans	-66.6	125.2	-179.7	-60.9	-45.3	0	0	0	112.5	D28	D28-H32 IonicContact OD2-CE1 2.66Å; D28-H32 IonicContact OD2-CG 3.91Å; D28-H32 IonicContact OD2-ND1 3.37Å; D28-H32 PolarHBondContact OD2-ND1 3.43Å
33	T	92.2	Very high	91	Very high	63 Å²	63	77.7 Å²	77.7	39%	0.387	39%	0.394	S	S	.	.			trans	-128.1	164.9	172.1	68.7	0	0	0	0	110.2	Y31 S35 S36 I37	Y31-T33 PolarHBondContact O-N 3.12Å; T33-S35 PolarHBondContact O-N 3.37Å; T33-S35 PolarHBondContact OG1-OG 2.93Å; T33-S36 PolarHBondContact N-OG 3.13Å; T33-S36 WeakPolarHBondContact O-CB 3.4Å; T33-S36 PolarHBondContact O-N 2.88Å; T33-S36 PolarHBondContact OG1-N 3.45Å; T33-S36 PolarHBondContact OG1-OG 3.43Å; T33-I37 WeakPolarHBondContact O-CG1 3.41Å; T33-I37 PolarHBondContact O-N 3.45Å
34	L	90.9	Very high	91.5	Very high	143 Å²	143	78.4 Å²	78.4	75%	0.749	38%	0.384	S	S	*	.	H	α-helix	trans	-57.3	-41	172.7	-67.3	177.5	0	0	0	111.5	S36 I37 E38	L34-S36 VanDerWaalsContact C-N 3.33Å; L34-S36 PolarHBondContact O-N 3.17Å; L34-I37 HydrophobicContact CD2-CD1 4.49Å; L34-I37 PolarHBondContact O-N 3.44Å; L34-E38 WeakPolarHBondContact O-CG 3.38Å; L34-E38 PolarHBondContact O-N 3.35Å
35	S	90.9	Very high	91.6	Very high	63 Å²	63	74 Å²	74	44%	0.441	37%	0.367	S	S	.	.	H	α-helix	trans	-62.8	-36.6	173.9	36.8	0	0	0	0	113	T33 I37 E38 Q39	T33-S35 PolarHBondContact O-N 3.37Å; T33-S35 PolarHBondContact OG1-OG 2.93Å; S35-I37 VanDerWaalsContact C-N 3.33Å; S35-I37 PolarHBondContact O-N 3.05Å; S35-E38 PolarHBondContact O-N 2.65Å; S35-Q39 WeakPolarHBondContact O-CB 3.44Å; S35-Q39 PolarHBondContact O-N 3.34Å
36	S	92.2	Very high	91.6	Very high	6 Å²	6	71 Å²	71	4%	0.042	36%	0.356	C	S	.	.	H	α-helix	trans	-63.3	-40.6	175.2	-53.9	0	0	0	0	111.5	T33 L34 K40	T33-S36 PolarHBondContact N-OG 3.13Å; T33-S36 WeakPolarHBondContact O-CB 3.4Å; T33-S36 PolarHBondContact O-N 2.88Å; T33-S36 PolarHBondContact OG1-N 3.45Å; T33-S36 PolarHBondContact OG1-OG 3.43Å; L34-S36 VanDerWaalsContact C-N 3.33Å; L34-S36 PolarHBondContact O-N 3.17Å; S36-K40 WeakPolarHBondContact O-CB 3.45Å; S36-K40 VanDerWaalsContact O-CG 3.31Å; S36-K40 WeakPolarHBondContact O-CG 3.2Å; S36-K40 PolarHBondContact O-N 3.05Å
37	I	91.9	Very high	91.6	Very high	102 Å²	102	68 Å²	68	52%	0.523	34%	0.343	S	S	.	.	H	α-helix	trans	-65.5	-44.7	177.3	-65.4	164.6	0	0	0	110.4	T33 L34 S35 R41	T33-I37 WeakPolarHBondContact O-CG1 3.41Å; T33-I37 PolarHBondContact O-N 3.45Å; L34-I37 HydrophobicContact CD2-CD1 4.49Å; L34-I37 PolarHBondContact O-N 3.44Å; S35-I37 VanDerWaalsContact C-N 3.33Å; S35-I37 PolarHBondContact O-N 3.05Å; I37-R41 WeakPolarHBondContact O-CB 3.48Å; I37-R41 PolarHBondContact O-N 2.83Å
38	E	92	Very high	91.5	Very high	113 Å²	113	66.8 Å²	66.8	53%	0.528	33%	0.334	S	S	.	.	H	α-helix	trans	-63.8	-43.4	177.8	-69.8	-175.9	134.8	0	0	112.1	L34 S35 R41 T42 L288	L34-E38 WeakPolarHBondContact O-CG 3.38Å; L34-E38 PolarHBondContact O-N 3.35Å; S35-E38 PolarHBondContact O-N 2.65Å; E38-R41 PolarHBondContact O-N 3.33Å; E38-T42 PolarHBondContact O-N 2.74Å; E38-T42 PolarHBondContact O-OG1 3.33Å; E38-L288 HydrophobicContact CB-CD1 4.43Å; E38-L288 HydrophobicContact CB-CD2 4.25Å
39	Q	93.9	Very high	91.4	Very high	15 Å²	15	67.1 Å²	67.1	7%	0.07	34%	0.338	C	S	.	.	H	α-helix	trans	-61.4	-50	177	-178.7	58.8	37.1	0	0	111.3	F26 S35 R41 T42 E43 E278 L288	F26-Q39 HydrophobicContact CB-CG 3.61Å; F26-Q39 HydrophobicContact CD1-CB 4.1Å; F26-Q39 HydrophobicContact CD1-CG 3.8Å; F26-Q39 HydrophobicContact CD2-CG 3.97Å; F26-Q39 HydrophobicContact CE1-CB 4.4Å; F26-Q39 HydrophobicContact CE1-CG 4.45Å; F26-Q39 HydrophobicContact CG-CB 4.3Å; F26-Q39 HydrophobicContact CG-CG 3.52Å; S35-Q39 WeakPolarHBondContact O-CB 3.44Å; S35-Q39 PolarHBondContact O-N 3.34Å; Q39-R41 VanDerWaalsContact C-N 3.31Å; Q39-R41 PolarHBondContact O-N 3.19Å; Q39-T42 WeakPolarHBondContact O-CB 3.5Å; Q39-T42 PolarHBondContact O-N 3.14Å; Q39-T42 VanDerWaalsContact O-N 3.09Å; Q39-E43 PolarHBondContact NE2-OE1 3.22Å; Q39-E43 VanDerWaalsContact NE2-OE1 3.13Å; Q39-E43 WeakPolarHBondContact O-CG 3.37Å; Q39-E43 PolarHBondContact O-N 3.25Å; Q39-E278 PolarHBondContact NE2-OE1 3.48Å; Q39-L288 HydrophobicContact CB-CD2 4.25Å
40	K	93.3	Very high	91.3	Very high	40 Å²	40	63.4 Å²	63.4	17%	0.174	31%	0.313	C	S	.	.	H	α-helix	trans	-58.2	-42.4	176.9	-72.9	175	178.3	176.5	0	111.9	F26 D28 S36 T42 E43 E44	F26-K40 HydrophobicContact CD1-CG 4.27Å; D28-K40 IonicContact OD1-NZ 2.72Å; D28-K40 PolarHBondContact OD1-NZ 3.48Å; D28-K40 IonicContact OD2-NZ 3.71Å; D28-K40 PolarHBondContact OD2-NZ 2.89Å; S36-K40 WeakPolarHBondContact O-CB 3.45Å; S36-K40 VanDerWaalsContact O-CG 3.31Å; S36-K40 WeakPolarHBondContact O-CG 3.2Å; S36-K40 PolarHBondContact O-N 3.05Å; K40-T42 VanDerWaalsContact C-N 3.35Å; K40-T42 PolarHBondContact O-N 3.01Å; K40-E43 PolarHBondContact O-N 3.36Å; K40-E44 WeakPolarHBondContact O-CG 3.2Å; K40-E44 PolarHBondContact O-N 2.9Å
41	R	92.3	Very high	91.1	Very high	67 Å²	67	59 Å²	59	25%	0.253	29%	0.287	S	S	.	.	H	α-helix	trans	-64	-38.4	175.8	-174.7	180	-176.7	177.3	1.7	112.3	I37 E38 Q39 E44 L45 H387 S390	I37-R41 WeakPolarHBondContact O-CB 3.48Å; I37-R41 PolarHBondContact O-N 2.83Å; E38-R41 PolarHBondContact O-N 3.33Å; Q39-R41 VanDerWaalsContact C-N 3.31Å; Q39-R41 PolarHBondContact O-N 3.19Å; R41-E44 PolarHBondContact O-N 3.09Å; R41-L45 HydrophobicContact CG-CD1 4.5Å; R41-L45 WeakPolarHBondContact O-CG 3.44Å; R41-L45 PolarHBondContact O-N 2.82Å; R41-L45 VanDerWaalsContact O-N 3.12Å; R41-H387 PolarHBondContact NH2-O 3.18Å; R41-S390 PolarHBondContact NH1-OG 3.3Å; R41-S390 VanDerWaalsContact NH1-OG 3.07Å; R41-S390 PolarHBondContact NH2-OG 3.16Å; R41-S390 VanDerWaalsContact NH2-OG 3.09Å
42	T	92.8	Very high	90.8	Very high	9 Å²	9	52.6 Å²	52.6	6%	0.055	27%	0.269	C	S	.	.	H	α-helix	trans	-65.5	-42.3	175.5	-72.9	0	0	0	0	111.4	E38 Q39 K40 E44 L45 V46 V289 P373	E38-T42 PolarHBondContact O-N 2.74Å; E38-T42 PolarHBondContact O-OG1 3.33Å; Q39-T42 WeakPolarHBondContact O-CB 3.5Å; Q39-T42 PolarHBondContact O-N 3.14Å; Q39-T42 VanDerWaalsContact O-N 3.09Å; K40-T42 VanDerWaalsContact C-N 3.35Å; K40-T42 PolarHBondContact O-N 3.01Å; T42-E44 PolarHBondContact O-N 3.26Å; T42-L45 PolarHBondContact O-N 3.27Å; T42-V46 PolarHBondContact O-N 3.4Å; T42-V289 HydrophobicContact CG2-CG1 3.8Å; T42-P373 HydrophobicContact CG2-CG 4.32Å
43	E	93.2	Very high	90.5	Very high	5 Å²	5	47.6 Å²	47.6	2%	0.023	25%	0.245	C	C	.	.	H	α-helix	trans	-62.2	-40.9	174.6	-68.3	179.6	-178.2	0	0	112.2	F26 Q39 K40 L45 V46 E47 Y277	F26-E43 WeakPolarHBondContact CB-OE1 3.42Å; F26-E43 PolarHBondContact N-OE1 3.37Å; F26-E43 PolarHBondContact N-OE2 3.41Å; F26-E43 VanDerWaalsContact N-OE2 3.16Å; Q39-E43 PolarHBondContact NE2-OE1 3.22Å; Q39-E43 VanDerWaalsContact NE2-OE1 3.13Å; Q39-E43 WeakPolarHBondContact O-CG 3.37Å; Q39-E43 PolarHBondContact O-N 3.25Å; K40-E43 PolarHBondContact O-N 3.36Å; E43-L45 VanDerWaalsContact C-N 3.31Å; E43-L45 PolarHBondContact O-N 2.93Å; E43-V46 PolarHBondContact O-N 3.3Å; E43-E47 WeakPolarHBondContact O-CB 3.43Å; E43-E47 PolarHBondContact O-N 3.07Å; E43-Y277 HydrophobicContact CB-CD1 3.76Å; E43-Y277 HydrophobicContact CB-CE1 3.71Å; E43-Y277 HydrophobicContact CG-CD1 3.61Å; E43-Y277 HydrophobicContact CG-CE1 4.11Å; E43-Y277 HydrophobicContact CG-CG 4.19Å; E43-Y277 WeakPolarHBondContact O-CE1 3.48Å
44	E	92.1	Very high	90	Very high	97 Å²	97	46.1 Å²	46.1	45%	0.453	24%	0.236	S	C	.	.	H	α-helix	trans	-58.8	-41.2	173.1	-72.9	168.5	179.4	0	0	112	K40 R41 T42 E47 E48	K40-E44 WeakPolarHBondContact O-CG 3.2Å; K40-E44 PolarHBondContact O-N 2.9Å; R41-E44 PolarHBondContact O-N 3.09Å; T42-E44 PolarHBondContact O-N 3.26Å; E44-E47 PolarHBondContact O-N 3.12Å; E44-E48 WeakPolarHBondContact O-CG 3.33Å; E44-E48 PolarHBondContact O-N 2.91Å
45	L	91.8	Very high	89.6	Confident	16 Å²	16	45.2 Å²	45.2	8%	0.084	23%	0.228	C	C	.	.	H	α-helix	trans	-68.7	-37.4	178.1	-69.1	165.1	0	0	0	112.4	R41 T42 E43 E48 S49 P373 K375 T391	R41-L45 HydrophobicContact CG-CD1 4.5Å; R41-L45 WeakPolarHBondContact O-CG 3.44Å; R41-L45 PolarHBondContact O-N 2.82Å; R41-L45 VanDerWaalsContact O-N 3.12Å; T42-L45 PolarHBondContact O-N 3.27Å; E43-L45 VanDerWaalsContact C-N 3.31Å; E43-L45 PolarHBondContact O-N 2.93Å; L45-E48 PolarHBondContact O-N 3.18Å; L45-S49 PolarHBondContact O-N 2.93Å; L45-S49 PolarHBondContact O-OG 3.45Å; L45-P373 HydrophobicContact CB-CB 3.93Å; L45-P373 WeakPolarHBondContact CD1-O 3.48Å; L45-K375 HydrophobicContact CD2-CG 4.44Å; L45-T391 HydrophobicContact CD1-CG2 3.97Å; L45-T391 HydrophobicContact CD2-CG2 4.07Å
46	V	91.3	Very high	88.8	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.012	24%	0.235	C	C	.	.	H	α-helix	trans	-62.5	-46.1	172.2	170.1	0	0	0	0	110.4	I20 T42 E43 E48 S49 V50 Y277 E278 P373	I20-V46 HydrophobicContact CD1-CG1 4.36Å; T42-V46 PolarHBondContact O-N 3.4Å; E43-V46 PolarHBondContact O-N 3.3Å; V46-E48 VanDerWaalsContact C-N 3.35Å; V46-E48 PolarHBondContact O-N 3.49Å; V46-S49 WeakPolarHBondContact O-CB 3.28Å; V46-S49 PolarHBondContact O-N 3.5Å; V46-V50 HydrophobicContact CG1-CG2 4.48Å; V46-V50 WeakPolarHBondContact O-CG2 3.48Å; V46-V50 PolarHBondContact O-N 3.42Å; V46-Y277 HydrophobicContact CB-CE1 4.41Å; V46-Y277 HydrophobicContact CG1-CE1 4.3Å; V46-E278 HydrophobicContact CG2-CB 4.2Å; V46-E278 HydrophobicContact CG2-CG 3.74Å; V46-P373 HydrophobicContact CG2-CB 3.89Å; V46-P373 HydrophobicContact CG2-CG 3.47Å; V46-P373 VanDerWaalsContact CG2-CG 3.47Å
47	E	90.1	Very high	87.4	Confident	13 Å²	13	50 Å²	50	6%	0.061	24%	0.241	C	C	.	.	H	α-helix	trans	-60.5	-43.4	177.3	-170.8	-175.8	-175.3	0	0	111.9	S6 R25 E43 E44 V50 K51	S6-E47 WeakPolarHBondContact CB-OE1 3.46Å; S6-E47 PolarHBondContact OG-OE1 3.4Å; S6-E47 PolarHBondContact OG-OE2 2.8Å; R25-E47 IonicContact CZ-OE2 3.78Å; R25-E47 IonicContact NH1-OE2 3.39Å; R25-E47 IonicContact NH2-OE1 3.16Å; R25-E47 PolarHBondContact NH2-OE1 3.47Å; R25-E47 IonicContact NH2-OE2 3.42Å; R25-E47 PolarHBondContact NH2-OE2 3.37Å; E43-E47 WeakPolarHBondContact O-CB 3.43Å; E43-E47 PolarHBondContact O-N 3.07Å; E44-E47 PolarHBondContact O-N 3.12Å; E47-V50 PolarHBondContact O-N 3.12Å; E47-K51 VanDerWaalsContact CD-NZ 3.28Å; E47-K51 HydrophobicContact CG-CD 4.2Å; E47-K51 WeakPolarHBondContact O-CB 3.21Å; E47-K51 WeakPolarHBondContact O-CG 3.14Å; E47-K51 PolarHBondContact O-N 2.97Å; E47-K51 VanDerWaalsContact OE1-CE 3.23Å; E47-K51 WeakPolarHBondContact OE1-CE 3.43Å; E47-K51 IonicContact OE1-NZ 3.58Å; E47-K51 PolarHBondContact OE1-NZ 3.43Å
48	E	89.3	Confident	85.7	Confident	88 Å²	88	54.1 Å²	54.1	41%	0.411	26%	0.258	S	S	.	.	H	α-helix	trans	-59	-45.1	174	-76.5	-176.4	171.1	0	0	111.6	E44 L45 V46 K51 S52 K375	E44-E48 WeakPolarHBondContact O-CG 3.33Å; E44-E48 PolarHBondContact O-N 2.91Å; L45-E48 PolarHBondContact O-N 3.18Å; V46-E48 VanDerWaalsContact C-N 3.35Å; V46-E48 PolarHBondContact O-N 3.49Å; E48-K51 PolarHBondContact O-N 2.83Å; E48-S52 WeakPolarHBondContact O-CB 3.48Å; E48-S52 PolarHBondContact O-N 3.12Å; E48-K375 IonicContact OE1-NZ 3.62Å; E48-K375 PolarHBondContact OE1-NZ 3.48Å; E48-K375 WeakPolarHBondContact OE2-CE 3.38Å; E48-K375 IonicContact OE2-NZ 3.52Å; E48-K375 PolarHBondContact OE2-NZ 3.48Å
49	S	88.9	Confident	83.9	Confident	25 Å²	25	55.2 Å²	55.2	18%	0.175	27%	0.266	C	S	.	.	H	α-helix	trans	-61.3	-43.4	176.6	-69.5	0	0	0	0	112.1	L45 V46 F53	L45-S49 PolarHBondContact O-N 2.93Å; L45-S49 PolarHBondContact O-OG 3.45Å; V46-S49 WeakPolarHBondContact O-CB 3.28Å; V46-S49 PolarHBondContact O-N 3.5Å; S49-F53 WeakPolarHBondContact O-CB 3.34Å; S49-F53 PolarHBondContact O-N 3.25Å
50	V	86.8	Confident	82	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.012	30%	0.299	C	S	.	.	H	α-helix	trans	-69.4	-43	178.9	176.6	0	0	0	0	111.7	F18 I20 V46 E47 S52 F53 V54 V360	F18-V50 HydrophobicContact CB-CG1 4.36Å; F18-V50 HydrophobicContact CD1-CG1 4.37Å; F18-V50 HydrophobicContact CD1-CG2 4Å; F18-V50 HydrophobicContact CD2-CG1 3.52Å; F18-V50 HydrophobicContact CE1-CG2 4.4Å; F18-V50 HydrophobicContact CE2-CG1 3.88Å; F18-V50 HydrophobicContact CG-CG1 3.81Å; F18-V50 HydrophobicContact CG-CG2 4.15Å; F18-V50 HydrophobicContact CZ-CG1 4.47Å; I20-V50 HydrophobicContact CD1-CB 3.75Å; I20-V50 HydrophobicContact CD1-CG1 3.86Å; I20-V50 HydrophobicContact CD1-CG2 3.24Å; V46-V50 HydrophobicContact CG1-CG2 4.48Å; V46-V50 WeakPolarHBondContact O-CG2 3.48Å; V46-V50 PolarHBondContact O-N 3.42Å; E47-V50 PolarHBondContact O-N 3.12Å; V50-S52 PolarHBondContact O-N 2.9Å; V50-F53 WeakPolarHBondContact O-CB 3.41Å; V50-F53 PolarHBondContact O-N 3.48Å; V50-V54 HydrophobicContact CG1-CG2 4.23Å; V50-V54 WeakPolarHBondContact O-CG2 3.34Å; V50-V54 PolarHBondContact O-N 3.42Å; V50-V360 HydrophobicContact CG2-CG1 4.04Å
51	K	85.8	Confident	80.3	Confident	47 Å²	47	65.4 Å²	65.4	20%	0.204	32%	0.317	C	S	.	.	H	α-helix	trans	-58.7	-48.6	174.7	-76.5	175.8	-178.3	165.7	0	111.3	F9 E47 E48 F53 V54 E55	F9-K51 HydrophobicContact CD1-CG 4.23Å; F9-K51 HydrophobicContact CE1-CG 4.34Å; E47-K51 VanDerWaalsContact CD-NZ 3.28Å; E47-K51 HydrophobicContact CG-CD 4.2Å; E47-K51 WeakPolarHBondContact O-CB 3.21Å; E47-K51 WeakPolarHBondContact O-CG 3.14Å; E47-K51 PolarHBondContact O-N 2.97Å; E47-K51 VanDerWaalsContact OE1-CE 3.23Å; E47-K51 WeakPolarHBondContact OE1-CE 3.43Å; E47-K51 IonicContact OE1-NZ 3.58Å; E47-K51 PolarHBondContact OE1-NZ 3.43Å; E48-K51 PolarHBondContact O-N 2.83Å; K51-F53 PolarHBondContact O-N 3.25Å; K51-V54 PolarHBondContact O-N 2.98Å; K51-V54 VanDerWaalsContact O-N 3.13Å; K51-E55 WeakPolarHBondContact O-CB 3.24Å; K51-E55 WeakPolarHBondContact O-CG 3.33Å; K51-E55 PolarHBondContact O-N 2.81Å
52	S	84.8	Confident	79.5	Confident	50 Å²	50	65.4 Å²	65.4	35%	0.35	33%	0.332	S	S	.	.	H	α-helix	trans	-58.3	-37	176.8	-179.4	0	0	0	0	112.1	E48 V50 Q56	E48-S52 WeakPolarHBondContact O-CB 3.48Å; E48-S52 PolarHBondContact O-N 3.12Å; V50-S52 PolarHBondContact O-N 2.9Å; S52-Q56 WeakPolarHBondContact O-CB 3.44Å; S52-Q56 WeakPolarHBondContact O-CG 3.48Å; S52-Q56 PolarHBondContact O-N 3.39Å; S52-Q56 PolarHBondContact OG-NE2 2.74Å
53	F	84.2	Confident	79.1	Confident	34 Å²	34	66.2 Å²	66.2	15%	0.149	34%	0.338	C	S	.	.	H	α-helix	trans	-69.4	-45.3	175.5	167.7	-100.1	0	0	0	111.9	F18 S49 V50 K51 Q56 R57 C63 P64 V360	F18-F53 AromaticContact CE2-CD1 3.6Å; F18-F53 HydrophobicContact CE2-CD1 3.6Å; F18-F53 AromaticContact CE2-CE1 3.63Å; F18-F53 HydrophobicContact CE2-CE1 3.63Å; F18-F53 AromaticContact CZ-CD1 3.4Å; F18-F53 HydrophobicContact CZ-CD1 3.4Å; F18-F53 VanDerWaalsContact CZ-CD1 3.4Å; F18-F53 AromaticContact CZ-CE1 3.45Å; F18-F53 HydrophobicContact CZ-CE1 3.45Å; F18-F53 VanDerWaalsContact CZ-CE1 3.45Å; F18-F53 HydrophobicContact CZ-CG 4.37Å; F18-F53 HydrophobicContact CZ-CZ 4.47Å; S49-F53 WeakPolarHBondContact O-CB 3.34Å; S49-F53 PolarHBondContact O-N 3.25Å; V50-F53 WeakPolarHBondContact O-CB 3.41Å; V50-F53 PolarHBondContact O-N 3.48Å; K51-F53 PolarHBondContact O-N 3.25Å; F53-Q56 PolarHBondContact O-N 3.45Å; F53-R57 HydrophobicContact CE1-CG 4.26Å; F53-R57 HydrophobicContact CZ-CG 4.19Å; F53-R57 PolarHBondContact O-N 3.03Å; F53-C63 VanDerWaalsContact CZ-C 3.48Å; F53-P64 HydrophobicContact CE1-CG 4.08Å; F53-P64 HydrophobicContact CE2-CB 4.38Å; F53-P64 HydrophobicContact CE2-CG 4.32Å; F53-P64 HydrophobicContact CZ-CB 4.3Å; F53-P64 HydrophobicContact CZ-CG 3.77Å; F53-P64 VanDerWaalsContact CZ-N 3.34Å; F53-V360 HydrophobicContact CB-CG1 3.98Å; F53-V360 HydrophobicContact CD1-CG2 4.33Å; F53-V360 HydrophobicContact CD2-CG2 4.36Å; F53-V360 HydrophobicContact CG-CG1 4.45Å; F53-V360 HydrophobicContact CG-CG2 4.12Å
54	V	82.2	Confident	78.9	Confident	32 Å²	32	66 Å²	66	19%	0.194	34%	0.337	C	S	.	.	H	α-helix	trans	-63.1	-41.8	179	171.7	0	0	0	0	111.4	V50 K51 Q56 R57	V50-V54 HydrophobicContact CG1-CG2 4.23Å; V50-V54 WeakPolarHBondContact O-CG2 3.34Å; V50-V54 PolarHBondContact O-N 3.42Å; K51-V54 PolarHBondContact O-N 2.98Å; K51-V54 VanDerWaalsContact O-N 3.13Å; V54-Q56 VanDerWaalsContact C-N 3.28Å; V54-Q56 PolarHBondContact O-N 2.86Å; V54-R57 VanDerWaalsContact O-CB 3.3Å; V54-R57 WeakPolarHBondContact O-CB 3.49Å; V54-R57 PolarHBondContact O-N 3.29Å
55	E	81.2	Confident	78.9	Confident	123 Å²	123	67.1 Å²	67.1	58%	0.575	34%	0.34	S	S	*	.	H	α-helix	trans	-64.4	-31.4	176.8	-71.4	170.6	178.8	0	0	112.6	K51 R57	K51-E55 WeakPolarHBondContact O-CB 3.24Å; K51-E55 WeakPolarHBondContact O-CG 3.33Å; K51-E55 PolarHBondContact O-N 2.81Å; E55-R57 VanDerWaalsContact C-N 3.34Å
56	Q	74.5	Confident	79.1	Confident	124 Å²	124	66.7 Å²	66.7	58%	0.579	34%	0.338	S	S	*	.	H	α-helix	trans	-80.3	-12.4	177.4	-71.6	171.4	13.4	0	0	113.5	S52 F53 V54 E58 I59	S52-Q56 WeakPolarHBondContact O-CB 3.44Å; S52-Q56 WeakPolarHBondContact O-CG 3.48Å; S52-Q56 PolarHBondContact O-N 3.39Å; S52-Q56 PolarHBondContact OG-NE2 2.74Å; F53-Q56 PolarHBondContact O-N 3.45Å; V54-Q56 VanDerWaalsContact C-N 3.28Å; V54-Q56 PolarHBondContact O-N 2.86Å; Q56-E58 PolarHBondContact O-N 3.45Å; Q56-I59 PolarHBondContact O-N 3.14Å
57	R	63.5	Low	79.3	Confident	47 Å²	47	69.9 Å²	69.9	18%	0.177	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-22.9	-178.5	-79.5	-174.4	166.2	-162	-5.9	114.6	F53 V54 E55 I59 A62	F53-R57 HydrophobicContact CE1-CG 4.26Å; F53-R57 HydrophobicContact CZ-CG 4.19Å; F53-R57 PolarHBondContact O-N 3.03Å; V54-R57 VanDerWaalsContact O-CB 3.3Å; V54-R57 WeakPolarHBondContact O-CB 3.49Å; V54-R57 PolarHBondContact O-N 3.29Å; E55-R57 VanDerWaalsContact C-N 3.34Å; R57-I59 PolarHBondContact O-N 3.23Å; R57-I59 VanDerWaalsContact O-N 3.07Å; R57-A62 PolarHBondContact NE-O 3.35Å; R57-A62 PolarHBondContact NH1-O 3.44Å; R57-A62 PolarHBondContact NH2-O 2.93Å
58	E	55.3	Low	79.7	Confident	187 Å²	187	71.9 Å²	71.9	87%	0.874	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-10.1	-179	-65.2	-168.8	162.3	0	0	113	Q56	Q56-E58 PolarHBondContact O-N 3.45Å
59	I	55.5	Low	80.1	Confident	136 Å²	136	71.4 Å²	71.4	70%	0.697	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-40.4	-168.1	-58.5	176.6	0	0	0	113.4	Q56 R57	Q56-I59 PolarHBondContact O-N 3.14Å; R57-I59 PolarHBondContact O-N 3.23Å; R57-I59 VanDerWaalsContact O-N 3.07Å
60	E	52.8	Low	80.5	Confident	164 Å²	164	72.9 Å²	72.9	77%	0.766	37%	0.369	S	S	*	.	S	Bend	trans	-168.3	131.5	-177.8	-104.9	161.5	-153.7	0	0	110.8
61	D	58.8	Low	81.1	Confident	105 Å²	105	72.8 Å²	72.8	56%	0.561	37%	0.369	S	S	*	.			trans	41.1	109.7	-179	-72.9	-36.2	0	0	0	117.1	C63 L426	D61-C63 PolarHBondContact O-N 3.06Å; D61-L426 WeakPolarHBondContact OD2-CD1 3.47Å
62	A	73.9	Confident	81.7	Confident	67 Å²	67	71.1 Å²	71.1	55%	0.554	36%	0.362	S	S	*	.	S	Bend	trans	-69	26.4	-176.4	0	0	0	0	0	115.7	R57	R57-A62 PolarHBondContact NE-O 3.35Å; R57-A62 PolarHBondContact NH1-O 3.44Å; R57-A62 PolarHBondContact NH2-O 2.93Å
63	C	84.6	Confident	82.3	Confident	27 Å²	27	76 Å²	76	18%	0.182	37%	0.373	C	S	.	.	S	Bend	trans	-136.7	151.6	-177.6	69.9	0	0	0	0	112.9	F53 D61 G425	F53-C63 VanDerWaalsContact CZ-C 3.48Å; D61-C63 PolarHBondContact O-N 3.06Å; C63-G425 WeakPolarHBondContact SG-CA 3.25Å
64	P	89.6	Confident	82.9	Confident	1 Å²	1	75.2 Å²	75.2	1%	0.006	37%	0.369	C	S	.	.			trans	-56.8	142.9	177.1	-25.6	35.8	0	0	0	111.4	F18 F53 L359 V360 V424 N429	F18-P64 HydrophobicContact CE1-CG 4.33Å; F18-P64 HydrophobicContact CZ-CG 3.96Å; F53-P64 HydrophobicContact CE1-CG 4.08Å; F53-P64 HydrophobicContact CE2-CB 4.38Å; F53-P64 HydrophobicContact CE2-CG 4.32Å; F53-P64 HydrophobicContact CZ-CB 4.3Å; F53-P64 HydrophobicContact CZ-CG 3.77Å; F53-P64 VanDerWaalsContact CZ-N 3.34Å; P64-L359 HydrophobicContact CB-CB 3.67Å; P64-L359 HydrophobicContact CB-CD1 3.99Å; P64-L359 HydrophobicContact CB-CG 4.47Å; P64-V360 HydrophobicContact CB-CG2 3.93Å; P64-V360 HydrophobicContact CG-CG2 3.98Å; P64-V424 HydrophobicContact CG-CG1 4.34Å; P64-N429 PolarHBondContact O-ND2 3Å
65	K	91.4	Very high	83.7	Confident	120 Å²	120	73.7 Å²	73.7	52%	0.522	36%	0.36	S	S	.	.			trans	-126.4	134.5	-175	-178.2	176.3	178.4	177.7	0	111.3	Q363 N429	K65-Q363 PolarHBondContact O-NE2 2.92Å; K65-N429 WeakPolarHBondContact CA-OD1 3.35Å
66	L	96.7	Very high	84.4	Confident	6 Å²	6	71.5 Å²	71.5	3%	0.031	35%	0.347	C	S	.	.			trans	-75	122.9	169.5	-175.4	68	0	0	0	109.6	R68 L107 L359 L404 L407 N429 V431	L66-R68 PolarHBondContact O-N 3.16Å; L66-L107 HydrophobicContact CD2-CD2 3.94Å; L66-L359 HydrophobicContact CB-CD2 3.85Å; L66-L359 HydrophobicContact CD1-CD2 4.07Å; L66-L404 HydrophobicContact CD1-CD2 4.13Å; L66-L407 HydrophobicContact CD1-CD2 4.14Å; L66-N429 HydrophobicContact CB-CB 4.37Å; L66-N429 PolarHBondContact N-OD1 2.78Å; L66-V431 HydrophobicContact CD2-CG1 3.86Å
67	F	96	Very high	85.3	Confident	69 Å²	69	69 Å²	69	30%	0.303	34%	0.343	S	S	.	.			trans	-75.7	58.4	175.4	-56.1	-26.4	0	0	0	110.5	S69 E70 H71 Q363	F67-S69 PolarHBondContact O-N 2.93Å; F67-E70 WeakPolarHBondContact CA-OE2 3.41Å; F67-E70 HydrophobicContact CB-CB 4.09Å; F67-E70 HydrophobicContact CB-CG 4.23Å; F67-E70 WeakPolarHBondContact CB-OE2 3.33Å; F67-E70 PolarHBondContact O-N 3.18Å; F67-H71 PolarHBondContact O-N 3.48Å; F67-H71 PolarHBondContact O-ND1 2.69Å; F67-Q363 HydrophobicContact CD2-CB 3.75Å; F67-Q363 HydrophobicContact CD2-CG 4.5Å; F67-Q363 HydrophobicContact CE2-CB 3.92Å
68	R	98.1	Very high	86.8	Confident	55 Å²	55	67.5 Å²	67.5	21%	0.208	34%	0.339	C	S	.	.	H	α-helix	trans	-55.3	-55	-172.5	178.2	178.1	-70.3	98.2	1.7	110.5	L66 E70 H71 V72 L107 S428 E430	L66-R68 PolarHBondContact O-N 3.16Å; R68-E70 PolarHBondContact O-N 2.78Å; R68-H71 PolarHBondContact O-N 2.89Å; R68-H71 VanDerWaalsContact O-N 3.1Å; R68-V72 HydrophobicContact CG-CG2 4.06Å; R68-V72 VanDerWaalsContact O-CG2 3.22Å; R68-V72 WeakPolarHBondContact O-CG2 3.49Å; R68-V72 PolarHBondContact O-N 3.15Å; R68-L107 HydrophobicContact CG-CB 4.46Å; R68-L107 HydrophobicContact CG-CD2 4.26Å; R68-L107 PolarHBondContact NE-O 3.49Å; R68-L107 VanDerWaalsContact NE-O 3.16Å; R68-S428 PolarHBondContact NH1-O 2.82Å; R68-S428 PolarHBondContact NH2-O 3.31Å; R68-E430 PolarHBondContact NH2-O 3.35Å
69	S	98	Very high	88.6	Confident	79 Å²	79	60.7 Å²	60.7	55%	0.552	31%	0.309	S	S	*	.	H	α-helix	trans	-58.9	-36.3	-175.5	-60.8	0	0	0	0	112.4	F67 R73	F67-S69 PolarHBondContact O-N 2.93Å; S69-R73 WeakPolarHBondContact O-CB 3.36Å; S69-R73 PolarHBondContact O-N 3.22Å
70	E	97.8	Very high	90.2	Very high	55 Å²	55	60.6 Å²	60.6	26%	0.257	31%	0.31	S	S	.	.	H	α-helix	trans	-68.4	-47.6	176.3	-63.8	63.8	-144.7	0	0	110.9	F67 R68 V72 R73 Y74 G367	F67-E70 WeakPolarHBondContact CA-OE2 3.41Å; F67-E70 HydrophobicContact CB-CB 4.09Å; F67-E70 HydrophobicContact CB-CG 4.23Å; F67-E70 WeakPolarHBondContact CB-OE2 3.33Å; F67-E70 PolarHBondContact O-N 3.18Å; R68-E70 PolarHBondContact O-N 2.78Å; E70-V72 VanDerWaalsContact C-N 3.33Å; E70-V72 PolarHBondContact O-N 2.99Å; E70-R73 PolarHBondContact O-N 3.29Å; E70-Y74 WeakPolarHBondContact O-CB 3.22Å; E70-Y74 PolarHBondContact O-N 3.45Å; E70-G367 WeakPolarHBondContact O-CA 3.48Å
71	H	98.2	Very high	91.9	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-59.6	-43.6	176	-63.9	-9.6	0	0	0	111.7	F67 R68 Y74 L75 L107 Q363 G367 G368	F67-H71 PolarHBondContact O-N 3.48Å; F67-H71 PolarHBondContact O-ND1 2.69Å; R68-H71 PolarHBondContact O-N 2.89Å; R68-H71 VanDerWaalsContact O-N 3.1Å; H71-Y74 PolarHBondContact O-N 2.92Å; H71-L75 WeakPolarHBondContact O-CB 3.16Å; H71-L75 VanDerWaalsContact O-CG 3.26Å; H71-L75 WeakPolarHBondContact O-CG 3.38Å; H71-L75 PolarHBondContact O-N 2.5Å; H71-L107 HydrophobicContact CB-CD1 3.7Å; H71-Q363 PolarHBondContact NE2-OE1 3.44Å; H71-Q363 VanDerWaalsContact NE2-OE1 3.16Å; H71-G367 WeakPolarHBondContact ND1-CA 3.49Å; H71-G368 PolarHBondContact ND1-N 3.17Å
72	V	98.4	Very high	93.5	Very high	12 Å²	12	58 Å²	58	7%	0.073	30%	0.296	C	S	.	.	H	α-helix	trans	-61.9	-46.7	176.7	173.7	0	0	0	0	111.1	R68 E70 Y74 L75 R76 L104 L107 E109	R68-V72 HydrophobicContact CG-CG2 4.06Å; R68-V72 VanDerWaalsContact O-CG2 3.22Å; R68-V72 WeakPolarHBondContact O-CG2 3.49Å; R68-V72 PolarHBondContact O-N 3.15Å; E70-V72 VanDerWaalsContact C-N 3.33Å; E70-V72 PolarHBondContact O-N 2.99Å; V72-Y74 VanDerWaalsContact C-N 3.32Å; V72-Y74 PolarHBondContact O-N 2.65Å; V72-L75 PolarHBondContact O-N 2.92Å; V72-R76 HydrophobicContact CG1-CG 4.33Å; V72-R76 WeakPolarHBondContact O-CB 3.45Å; V72-R76 WeakPolarHBondContact O-CG 3.28Å; V72-R76 PolarHBondContact O-N 3.13Å; V72-L104 HydrophobicContact CG1-CD2 4.25Å; V72-L107 HydrophobicContact CG2-CB 4.27Å; V72-L107 HydrophobicContact CG2-CD1 3.8Å; V72-E109 HydrophobicContact CB-CG 4.16Å; V72-E109 HydrophobicContact CG1-CG 3.75Å; V72-E109 HydrophobicContact CG2-CG 3.27Å
73	R	97.5	Very high	94.1	Very high	152 Å²	152	58.5 Å²	58.5	57%	0.574	30%	0.295	S	S	*	.	H	α-helix	trans	-58.9	-45	176.3	-171.8	-172.3	-58.6	122	2.1	111.4	S69 E70 S77	S69-R73 WeakPolarHBondContact O-CB 3.36Å; S69-R73 PolarHBondContact O-N 3.22Å; E70-R73 PolarHBondContact O-N 3.29Å; R73-S77 WeakPolarHBondContact O-CB 3.32Å; R73-S77 PolarHBondContact O-N 2.83Å
74	Y	96.8	Very high	94.3	Very high	18 Å²	18	61.5 Å²	61.5	7%	0.071	32%	0.317	C	S	.	.	H	α-helix	trans	-61.2	-49.6	177.6	169	-113.3	0	0	0	112.3	E70 H71 V72 S77 C78 Y86 G368 R395 D396 L397 T400	E70-Y74 WeakPolarHBondContact O-CB 3.22Å; E70-Y74 PolarHBondContact O-N 3.45Å; H71-Y74 PolarHBondContact O-N 2.92Å; V72-Y74 VanDerWaalsContact C-N 3.32Å; V72-Y74 PolarHBondContact O-N 2.65Å; Y74-S77 WeakPolarHBondContact O-CB 3.5Å; Y74-S77 PolarHBondContact O-N 3.42Å; Y74-C78 WeakPolarHBondContact CE2-SG 3.21Å; Y74-C78 PolarHBondContact O-N 3.03Å; Y74-C78 PolarHBondContact O-SG 3.16Å; Y74-Y86 PolarHBondContact OH-OH 3.01Å; Y74-G368 VanDerWaalsContact CD1-CA 3.46Å; Y74-R395 VanDerWaalsContact CD2-NE 3.3Å; Y74-R395 HydrophobicContact CE2-CG 4.08Å; Y74-R395 VanDerWaalsContact CE2-NE 3.3Å; Y74-D396 WeakPolarHBondContact OH-CA 3.34Å; Y74-L397 HydrophobicContact CE1-CD2 4.08Å; Y74-L397 PolarHBondContact OH-N 3.05Å; Y74-T400 HydrophobicContact CE1-CG2 4.48Å
75	L	98	Very high	94.2	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-64.6	-44.4	-179.5	-69.2	167.5	0	0	0	111.9	H71 V72 S77 C78 L79 V100 L104 L107 L397 T400	H71-L75 WeakPolarHBondContact O-CB 3.16Å; H71-L75 VanDerWaalsContact O-CG 3.26Å; H71-L75 WeakPolarHBondContact O-CG 3.38Å; H71-L75 PolarHBondContact O-N 2.5Å; V72-L75 PolarHBondContact O-N 2.92Å; L75-S77 VanDerWaalsContact C-N 3.33Å; L75-S77 PolarHBondContact O-N 3.2Å; L75-C78 PolarHBondContact O-N 3.04Å; L75-L79 PolarHBondContact O-N 2.95Å; L75-V100 HydrophobicContact CB-CG1 4.41Å; L75-V100 WeakPolarHBondContact O-CG1 3.35Å; L75-L104 HydrophobicContact CB-CD2 3.84Å; L75-L104 HydrophobicContact CB-CG 4.01Å; L75-L104 HydrophobicContact CD1-CD2 4.21Å; L75-L104 HydrophobicContact CD1-CG 4.28Å; L75-L107 HydrophobicContact CD1-CD1 3.81Å; L75-L397 HydrophobicContact CD2-CD2 3.91Å; L75-T400 HydrophobicContact CD1-CG2 4.42Å; L75-T400 HydrophobicContact CD2-CG2 3.92Å; L75-T400 HydrophobicContact CG-CG2 4.36Å
76	R	96.3	Very high	94.1	Very high	77 Å²	77	59.7 Å²	59.7	29%	0.291	32%	0.324	S	S	.	.	H	α-helix	trans	-62.3	-40.2	175.7	-72	-175.9	-176.1	-85.4	-1.3	111.9	V72 C78 L79 N80 L104 E109 P110	V72-R76 HydrophobicContact CG1-CG 4.33Å; V72-R76 WeakPolarHBondContact O-CB 3.45Å; V72-R76 WeakPolarHBondContact O-CG 3.28Å; V72-R76 PolarHBondContact O-N 3.13Å; R76-C78 VanDerWaalsContact C-N 3.32Å; R76-C78 PolarHBondContact O-N 3.45Å; R76-L79 WeakPolarHBondContact O-CB 3.36Å; R76-L79 PolarHBondContact O-N 3.15Å; R76-N80 PolarHBondContact O-N 3.24Å; R76-L104 HydrophobicContact CG-CD2 4.08Å; R76-E109 IonicContact NH2-OE2 3.95Å; R76-E109 PolarHBondContact NH2-OE2 3.44Å; R76-P110 PolarHBondContact NH2-O 3.38Å
77	S	94.9	Very high	93.9	Very high	73 Å²	73	66.6 Å²	66.6	51%	0.51	36%	0.356	S	S	.	.	H	α-helix	trans	-59.4	-45.1	174	-175	0	0	0	0	111.2	R73 Y74 L75 L79 N80 Q81	R73-S77 WeakPolarHBondContact O-CB 3.32Å; R73-S77 PolarHBondContact O-N 2.83Å; Y74-S77 WeakPolarHBondContact O-CB 3.5Å; Y74-S77 PolarHBondContact O-N 3.42Å; L75-S77 VanDerWaalsContact C-N 3.33Å; L75-S77 PolarHBondContact O-N 3.2Å; S77-L79 VanDerWaalsContact C-N 3.31Å; S77-L79 PolarHBondContact O-N 2.97Å; S77-N80 PolarHBondContact O-N 3.38Å; S77-Q81 PolarHBondContact O-N 3.22Å; S77-Q81 VanDerWaalsContact O-O 3.06Å
78	C	94.8	Very high	93.7	Very high	14 Å²	14	69.7 Å²	69.7	10%	0.095	38%	0.381	C	S	.	.	H	α-helix	trans	-69.4	-27.1	-180	-65.5	0	0	0	0	113.4	Y74 L75 R76 N80 L82 V100 L397	Y74-C78 WeakPolarHBondContact CE2-SG 3.21Å; Y74-C78 PolarHBondContact O-N 3.03Å; Y74-C78 PolarHBondContact O-SG 3.16Å; L75-C78 PolarHBondContact O-N 3.04Å; R76-C78 VanDerWaalsContact C-N 3.32Å; R76-C78 PolarHBondContact O-N 3.45Å; C78-N80 VanDerWaalsContact C-N 3.28Å; C78-L82 HydrophobicContact CB-CD2 3.85Å; C78-L82 WeakPolarHBondContact O-CD2 3.42Å; C78-V100 HydrophobicContact CB-CG2 4.11Å; C78-L397 HydrophobicContact CB-CD1 4.28Å; C78-L397 HydrophobicContact CB-CD2 3.82Å; C78-L397 HydrophobicContact CB-CG 4.46Å
79	L	91.9	Very high	93.5	Very high	45 Å²	45	69.8 Å²	69.8	24%	0.236	38%	0.384	C	S	.	.	H	α-helix	trans	-64.8	-35.8	173.9	-165.7	53.8	0	0	0	111.9	L75 R76 S77 V100 L101 L111	L75-L79 PolarHBondContact O-N 2.95Å; R76-L79 WeakPolarHBondContact O-CB 3.36Å; R76-L79 PolarHBondContact O-N 3.15Å; S77-L79 VanDerWaalsContact C-N 3.31Å; S77-L79 PolarHBondContact O-N 2.97Å; L79-V100 HydrophobicContact CB-CG1 3.82Å; L79-V100 HydrophobicContact CD1-CG1 3.89Å; L79-V100 HydrophobicContact CD2-CG1 4.41Å; L79-V100 HydrophobicContact CG-CG1 4.25Å; L79-L101 HydrophobicContact CD1-CD2 4.39Å; L79-L111 HydrophobicContact CD2-CD1 3.9Å
80	N	88.6	Confident	93.3	Very high	133 Å²	133	70 Å²	70	71%	0.711	38%	0.379	S	S	*	.	H	α-helix	trans	-85.5	-47.8	-178.7	-66.5	-21.7	0	0	0	111.9	R76 S77 C78	R76-N80 PolarHBondContact O-N 3.24Å; S77-N80 PolarHBondContact O-N 3.38Å; C78-N80 VanDerWaalsContact C-N 3.28Å
81	Q	90.3	Very high	93.2	Very high	156 Å²	156	70.3 Å²	70.3	73%	0.729	39%	0.391	S	S	*	.			trans	-151.2	125	-177.2	-170.4	173	15.8	0	0	111.6	S77	S77-Q81 PolarHBondContact O-N 3.22Å; S77-Q81 VanDerWaalsContact O-O 3.06Å
82	L	90.7	Very high	93.1	Very high	59 Å²	59	72 Å²	72	31%	0.309	40%	0.403	S	S	.	.			trans	-86.8	149.7	172.9	-64.4	170.1	0	0	0	110.9	C78 Y86 M96 L397	C78-L82 HydrophobicContact CB-CD2 3.85Å; C78-L82 WeakPolarHBondContact O-CD2 3.42Å; L82-Y86 HydrophobicContact CB-CD2 3.94Å; L82-Y86 HydrophobicContact CB-CG 4.27Å; L82-Y86 HydrophobicContact CD1-CG 4.47Å; L82-Y86 HydrophobicContact CD2-CD2 3.94Å; L82-Y86 HydrophobicContact CD2-CE2 4.06Å; L82-Y86 HydrophobicContact CD2-CG 4.25Å; L82-Y86 HydrophobicContact CG-CD2 4.44Å; L82-M96 HydrophobicContact CD1-CE 4.18Å; L82-M96 HydrophobicContact CD1-SD 3.52Å; L82-M96 VanDerWaalsContact CD1-SD 3.52Å; L82-L397 HydrophobicContact CD2-CD1 3.85Å
83	S	87.9	Confident	93.1	Very high	77 Å²	77	75.6 Å²	75.6	54%	0.538	42%	0.415	S	S	.	.			trans	-73	162.4	172.4	70.4	0	0	0	0	111.5	G85 Y86	S83-G85 PolarHBondContact O-N 2.93Å; S83-Y86 PolarHBondContact O-N 3.31Å; S83-Y86 VanDerWaalsContact O-N 3.07Å
84	S	88.4	Confident	93.1	Very high	91 Å²	91	68.4 Å²	68.4	64%	0.636	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-59.1	-19.6	176	54.6	0	0	0	0	113.7	Y86 Q87	S84-Y86 PolarHBondContact O-N 3.24Å; S84-Q87 WeakPolarHBondContact O-CB 3.5Å; S84-Q87 VanDerWaalsContact O-CG 3.22Å; S84-Q87 WeakPolarHBondContact O-CG 3.38Å; S84-Q87 PolarHBondContact O-N 3.48Å; S84-Q87 VanDerWaalsContact O-N 3.12Å
85	G	86.4	Confident	93.2	Very high	55 Å²	55	69.3 Å²	69.3	57%	0.567	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-61.2	-21.1	174.4	0	0	0	0	0	114	S83	S83-G85 PolarHBondContact O-N 2.93Å
86	Y	90.7	Very high	93.2	Very high	28 Å²	28	69.8 Å²	69.8	11%	0.11	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-86.4	-0.2	177.4	-71.1	-79.9	0	0	0	114	Y74 L82 S83 S84 T88 M89 M96 L397	Y74-Y86 PolarHBondContact OH-OH 3.01Å; L82-Y86 HydrophobicContact CB-CD2 3.94Å; L82-Y86 HydrophobicContact CB-CG 4.27Å; L82-Y86 HydrophobicContact CD1-CG 4.47Å; L82-Y86 HydrophobicContact CD2-CD2 3.94Å; L82-Y86 HydrophobicContact CD2-CE2 4.06Å; L82-Y86 HydrophobicContact CD2-CG 4.25Å; L82-Y86 HydrophobicContact CG-CD2 4.44Å; S83-Y86 PolarHBondContact O-N 3.31Å; S83-Y86 VanDerWaalsContact O-N 3.07Å; S84-Y86 PolarHBondContact O-N 3.24Å; Y86-T88 PolarHBondContact O-N 3.07Å; Y86-M89 HydrophobicContact CD1-SD 3.94Å; Y86-M89 HydrophobicContact CE1-SD 4.31Å; Y86-M89 CarbonylContact O-C 3.58Å; Y86-M89 WeakPolarHBondContact O-CA 3.41Å; Y86-M89 WeakPolarHBondContact O-CB 3.46Å; Y86-M89 PolarHBondContact O-N 3.06Å; Y86-M96 HydrophobicContact CD1-SD 3.52Å; Y86-M96 VanDerWaalsContact CD1-SD 3.52Å; Y86-M96 HydrophobicContact CE1-SD 4.24Å; Y86-M96 HydrophobicContact CG-SD 4.07Å; Y86-L397 HydrophobicContact CE1-CD1 4.17Å; Y86-L397 HydrophobicContact CE1-CG 4.3Å; Y86-L397 PolarHBondContact OH-N 2.7Å
87	Q	92.4	Very high	93.2	Very high	150 Å²	150	67 Å²	67	70%	0.701	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-59.3	-34.7	-180	-75.9	175.8	-3.7	0	0	112.9	S84 M89 D90	S84-Q87 WeakPolarHBondContact O-CB 3.5Å; S84-Q87 VanDerWaalsContact O-CG 3.22Å; S84-Q87 WeakPolarHBondContact O-CG 3.38Å; S84-Q87 PolarHBondContact O-N 3.48Å; S84-Q87 VanDerWaalsContact O-N 3.12Å; Q87-M89 PolarHBondContact O-N 2.88Å; Q87-D90 PolarHBondContact O-N 3.4Å
88	T	92.2	Very high	93.4	Very high	135 Å²	135	63.5 Å²	63.5	83%	0.828	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-69.3	-10.6	176.3	56.5	0	0	0	0	113.1	Y86	Y86-T88 PolarHBondContact O-N 3.07Å
89	M	93.6	Very high	93.6	Very high	57 Å²	57	63.5 Å²	63.5	28%	0.281	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-109.4	20	179.8	-58.3	-176.2	72.5	0	0	112.4	Y86 Q87 A91 S92 M96 W99	Y86-M89 HydrophobicContact CD1-SD 3.94Å; Y86-M89 HydrophobicContact CE1-SD 4.31Å; Y86-M89 CarbonylContact O-C 3.58Å; Y86-M89 WeakPolarHBondContact O-CA 3.41Å; Y86-M89 WeakPolarHBondContact O-CB 3.46Å; Y86-M89 PolarHBondContact O-N 3.06Å; Q87-M89 PolarHBondContact O-N 2.88Å; M89-A91 PolarHBondContact O-N 3.09Å; M89-A91 VanDerWaalsContact O-N 3.14Å; M89-S92 CarbonylContact O-C 3.53Å; M89-S92 WeakPolarHBondContact O-CA 3.46Å; M89-S92 WeakPolarHBondContact O-CB 3.26Å; M89-S92 PolarHBondContact O-N 3.23Å; M89-M96 HydrophobicContact CB-CE 4.02Å; M89-M96 HydrophobicContact CB-SD 4.41Å; M89-M96 WeakPolarHBondContact O-CE 3.48Å; M89-W99 HydrophobicContact CE-CH2 3.61Å; M89-W99 HydrophobicContact CE-CZ3 3.56Å
90	D	93.7	Very high	93.9	Very high	82 Å²	82	61.5 Å²	61.5	44%	0.439	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-57.2	-29.6	179	-174.1	67.9	0	0	0	112.9	Q87 S92 R93 Q139	Q87-D90 PolarHBondContact O-N 3.4Å; D90-S92 PolarHBondContact O-N 2.9Å; D90-R93 WeakPolarHBondContact O-CD 3.28Å; D90-R93 WeakPolarHBondContact O-CG 3.34Å; D90-R93 WeakPolarHBondContact OD1-CD 3.03Å; D90-R93 IonicContact OD1-NH1 3.28Å; D90-Q139 PolarHBondContact O-NE2 3.34Å; D90-Q139 PolarHBondContact OD2-NE2 3.33Å
91	A	95.5	Very high	94.4	Very high	63 Å²	63	55.3 Å²	55.3	52%	0.521	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-78.6	10.4	172.8	0	0	0	0	0	114.9	M89 G135 Q139	M89-A91 PolarHBondContact O-N 3.09Å; M89-A91 VanDerWaalsContact O-N 3.14Å; A91-G135 WeakPolarHBondContact O-CA 3.25Å; A91-Q139 VanDerWaalsContact CA-OE1 3.29Å
92	S	97	Very high	94.8	Very high	35 Å²	35	47.9 Å²	47.9	25%	0.245	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-135.4	25.7	-176.5	-63.1	0	0	0	0	111.9	M89 D90 S94 W95 M96	M89-S92 CarbonylContact O-C 3.53Å; M89-S92 WeakPolarHBondContact O-CA 3.46Å; M89-S92 WeakPolarHBondContact O-CB 3.26Å; M89-S92 PolarHBondContact O-N 3.23Å; D90-S92 PolarHBondContact O-N 2.9Å; S92-S94 VanDerWaalsContact C-N 3.34Å; S92-S94 PolarHBondContact O-N 3.19Å; S92-W95 VanDerWaalsContact O-CB 3.28Å; S92-W95 WeakPolarHBondContact O-CB 3.41Å; S92-W95 PolarHBondContact O-N 2.88Å; S92-W95 VanDerWaalsContact O-N 3.13Å; S92-M96 PolarHBondContact O-N 2.95Å
93	R	97.1	Very high	95.2	Very high	88 Å²	88	45.1 Å²	45.1	33%	0.332	27%	0.266	S	S	.	.	H	α-helix	trans	-64.6	-36.2	-179.5	-64.6	161.2	58.6	173.8	1.8	112.8	D90 W95 M96 T97 F122 G135	D90-R93 WeakPolarHBondContact O-CD 3.28Å; D90-R93 WeakPolarHBondContact O-CG 3.34Å; D90-R93 WeakPolarHBondContact OD1-CD 3.03Å; D90-R93 IonicContact OD1-NH1 3.28Å; R93-W95 VanDerWaalsContact C-N 3.29Å; R93-W95 PolarHBondContact O-N 3.37Å; R93-M96 HydrophobicContact CB-CE 4.14Å; R93-M96 HydrophobicContact CG-CE 3.67Å; R93-M96 PolarHBondContact O-N 3.27Å; R93-M96 VanDerWaalsContact O-N 3.16Å; R93-T97 PolarHBondContact O-N 3.39Å; R93-T97 PolarHBondContact O-OG1 3.3Å; R93-F122 HydrophobicContact CB-CE1 4.21Å; R93-F122 HydrophobicContact CB-CE2 4.49Å; R93-F122 HydrophobicContact CB-CZ 3.55Å; R93-F122 VanDerWaalsContact NH2-CE2 3.28Å; R93-G135 WeakPolarHBondContact CA-O 3.49Å; R93-G135 VanDerWaalsContact CB-O 3.24Å; R93-G135 WeakPolarHBondContact CB-O 2.96Å; R93-G135 PolarHBondContact N-O 3.03Å
94	S	98	Very high	95.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.2	-36.5	171.6	48.2	0	0	0	0	112.9	S92 T97 Y98 G134 G135 T145 S149	S92-S94 VanDerWaalsContact C-N 3.34Å; S92-S94 PolarHBondContact O-N 3.19Å; S94-T97 PolarHBondContact O-N 3.19Å; S94-Y98 PolarHBondContact O-N 3.29Å; S94-G134 PolarHBondContact OG-O 3.45Å; S94-G134 VanDerWaalsContact OG-O 3.05Å; S94-G135 PolarHBondContact N-O 3.26Å; S94-G135 VanDerWaalsContact N-O 3.09Å; S94-T145 WeakPolarHBondContact OG-CB 3.39Å; S94-T145 WeakPolarHBondContact OG-CG2 3.21Å; S94-S149 VanDerWaalsContact CB-OG 3.3Å; S94-S149 WeakPolarHBondContact CB-OG 3.26Å
95	W	98.5	Very high	96.2	Very high	38 Å²	38	37.7 Å²	37.7	14%	0.144	21%	0.213	C	C	.	.	H	α-helix	trans	-63.4	-44.6	170.9	-83.7	111.9	0	0	0	112.4	S92 R93 T97 Y98 W99 A144 Y147 A148 Y402	S92-W95 VanDerWaalsContact O-CB 3.28Å; S92-W95 WeakPolarHBondContact O-CB 3.41Å; S92-W95 PolarHBondContact O-N 2.88Å; S92-W95 VanDerWaalsContact O-N 3.13Å; R93-W95 VanDerWaalsContact C-N 3.29Å; R93-W95 PolarHBondContact O-N 3.37Å; W95-T97 VanDerWaalsContact C-N 3.31Å; W95-T97 PolarHBondContact O-N 2.6Å; W95-Y98 AromaticContact CE3-CD1 3.79Å; W95-Y98 HydrophobicContact CE3-CD1 3.79Å; W95-Y98 HydrophobicContact CE3-CE1 4.39Å; W95-Y98 AromaticContact CZ3-CD1 3.76Å; W95-Y98 HydrophobicContact CZ3-CD1 3.76Å; W95-Y98 AromaticContact CZ3-CE1 3.92Å; W95-Y98 HydrophobicContact CZ3-CE1 3.92Å; W95-Y98 WeakPolarHBondContact O-CB 3.28Å; W95-Y98 PolarHBondContact O-N 2.96Å; W95-W99 HydrophobicContact CB-CD2 4.34Å; W95-W99 HydrophobicContact CB-CE3 4.37Å; W95-W99 HydrophobicContact CB-CH2 3.69Å; W95-W99 HydrophobicContact CB-CZ2 3.62Å; W95-W99 HydrophobicContact CB-CZ3 4.08Å; W95-W99 AromaticContact CD2-CZ2 3.95Å; W95-W99 HydrophobicContact CD2-CZ2 3.95Å; W95-W99 AromaticContact CE3-CE2 3.66Å; W95-W99 AromaticContact CE3-CZ2 3.78Å; W95-W99 HydrophobicContact CE3-CZ2 3.78Å; W95-W99 AromaticContact CE3-NE1 3.33Å; W95-W99 VanDerWaalsContact CE3-NE1 3.33Å; W95-W99 HydrophobicContact CG-CH2 4.31Å; W95-W99 AromaticContact CG-CZ2 3.94Å; W95-W99 HydrophobicContact CG-CZ2 3.94Å; W95-W99 AromaticContact CZ3-NE1 3.81Å; W95-W99 VanDerWaalsContact O-CD2 3.22Å; W95-W99 PolarHBondContact O-N 2.74Å; W95-A144 HydrophobicContact CZ2-CB 3.88Å; W95-A144 VanDerWaalsContact CZ2-O 3.26Å; W95-A144 WeakPolarHBondContact CZ2-O 3.36Å; W95-Y147 AromaticContact CH2-CD1 3.6Å; W95-Y147 HydrophobicContact CH2-CD1 3.6Å; W95-Y147 AromaticContact CH2-CE1 3.85Å; W95-Y147 HydrophobicContact CH2-CE1 3.85Å; W95-Y147 HydrophobicContact CZ2-CD1 4.25Å; W95-Y147 HydrophobicContact CZ3-CD1 4.18Å; W95-Y147 HydrophobicContact CZ3-CE1 4.16Å; W95-A148 HydrophobicContact CD2-CB 3.52Å; W95-A148 HydrophobicContact CE3-CB 3.62Å; W95-A148 HydrophobicContact CG-CB 3.94Å; W95-A148 HydrophobicContact CH2-CB 4.31Å; W95-A148 HydrophobicContact CZ2-CB 4.21Å; W95-A148 HydrophobicContact CZ3-CB 4.02Å; W95-Y402 WeakPolarHBondContact CZ3-OH 3.21Å
96	M	97.7	Very high	96.8	Very high	9 Å²	9	35.1 Å²	35.1	4%	0.044	19%	0.186	C	C	.	.	H	α-helix	trans	-61.8	-40.3	177.5	-66.6	-176.9	-87.6	0	0	111.8	L82 Y86 M89 S92 R93 W99 V100 L397	L82-M96 HydrophobicContact CD1-CE 4.18Å; L82-M96 HydrophobicContact CD1-SD 3.52Å; L82-M96 VanDerWaalsContact CD1-SD 3.52Å; Y86-M96 HydrophobicContact CD1-SD 3.52Å; Y86-M96 VanDerWaalsContact CD1-SD 3.52Å; Y86-M96 HydrophobicContact CE1-SD 4.24Å; Y86-M96 HydrophobicContact CG-SD 4.07Å; M89-M96 HydrophobicContact CB-CE 4.02Å; M89-M96 HydrophobicContact CB-SD 4.41Å; M89-M96 WeakPolarHBondContact O-CE 3.48Å; S92-M96 PolarHBondContact O-N 2.95Å; R93-M96 HydrophobicContact CB-CE 4.14Å; R93-M96 HydrophobicContact CG-CE 3.67Å; R93-M96 PolarHBondContact O-N 3.27Å; R93-M96 VanDerWaalsContact O-N 3.16Å; M96-W99 HydrophobicContact CB-CE3 4.49Å; M96-W99 HydrophobicContact CG-CE3 4.02Å; M96-W99 HydrophobicContact CG-CZ3 3.89Å; M96-W99 PolarHBondContact O-N 3.41Å; M96-V100 VanDerWaalsContact O-CG2 3.3Å; M96-V100 WeakPolarHBondContact O-CG2 3.21Å; M96-V100 PolarHBondContact O-N 2.76Å; M96-V100 VanDerWaalsContact O-N 3.08Å; M96-L397 HydrophobicContact CB-CD1 3.96Å; M96-L397 HydrophobicContact CG-CD1 4.08Å
97	T	98	Very high	97.2	Very high	18 Å²	18	34 Å²	34	11%	0.11	18%	0.183	C	C	.	.	H	α-helix	trans	-58.8	-50.4	171.8	-56.2	0	0	0	0	111.1	R93 S94 W95 W99 V100 L101 A119 F122 L123 A152	R93-T97 PolarHBondContact O-N 3.39Å; R93-T97 PolarHBondContact O-OG1 3.3Å; S94-T97 PolarHBondContact O-N 3.19Å; W95-T97 VanDerWaalsContact C-N 3.31Å; W95-T97 PolarHBondContact O-N 2.6Å; T97-W99 PolarHBondContact O-N 3.32Å; T97-V100 PolarHBondContact O-N 3.36Å; T97-L101 HydrophobicContact CG2-CD1 3.69Å; T97-L101 HydrophobicContact CG2-CG 4.31Å; T97-L101 WeakPolarHBondContact O-CB 3.33Å; T97-L101 WeakPolarHBondContact O-CG 3.42Å; T97-L101 PolarHBondContact O-N 3.34Å; T97-A119 HydrophobicContact CG2-CB 4.1Å; T97-F122 WeakPolarHBondContact OG1-CD1 3.28Å; T97-F122 WeakPolarHBondContact OG1-CE1 3.45Å; T97-L123 HydrophobicContact CG2-CD1 4.1Å; T97-L123 HydrophobicContact CG2-CD2 4.33Å; T97-L123 HydrophobicContact CG2-CG 4.26Å; T97-A152 HydrophobicContact CG2-CB 4.43Å
98	Y	98.8	Very high	97.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-57.3	-50.7	176.9	167.7	-114.2	0	0	0	112.6	S94 W95 V100 L101 H102 M151 N439 I440	S94-Y98 PolarHBondContact O-N 3.29Å; W95-Y98 AromaticContact CE3-CD1 3.79Å; W95-Y98 HydrophobicContact CE3-CD1 3.79Å; W95-Y98 HydrophobicContact CE3-CE1 4.39Å; W95-Y98 AromaticContact CZ3-CD1 3.76Å; W95-Y98 HydrophobicContact CZ3-CD1 3.76Å; W95-Y98 AromaticContact CZ3-CE1 3.92Å; W95-Y98 HydrophobicContact CZ3-CE1 3.92Å; W95-Y98 WeakPolarHBondContact O-CB 3.28Å; W95-Y98 PolarHBondContact O-N 2.96Å; Y98-V100 VanDerWaalsContact C-N 3.31Å; Y98-V100 PolarHBondContact O-N 2.9Å; Y98-L101 PolarHBondContact O-N 3.31Å; Y98-H102 HydrophobicContact CD2-CB 4.21Å; Y98-H102 HydrophobicContact CE2-CB 3.85Å; Y98-H102 AromaticContact CZ-CD2 3.97Å; Y98-H102 VanDerWaalsContact O-CB 3.28Å; Y98-H102 WeakPolarHBondContact O-CB 3.47Å; Y98-H102 PolarHBondContact O-N 2.63Å; Y98-M151 HydrophobicContact CD2-CB 3.72Å; Y98-M151 HydrophobicContact CE2-CB 3.55Å; Y98-N439 WeakPolarHBondContact OH-CB 3.41Å; Y98-N439 PolarHBondContact OH-ND2 3.13Å; Y98-N439 PolarHBondContact OH-O 2.82Å; Y98-I440 HydrophobicContact CE2-CG2 4.17Å
99	W	98.7	Very high	97.7	Very high	14 Å²	14	24.4 Å²	24.4	5%	0.053	14%	0.136	C	C	.	.	H	α-helix	trans	-61.2	-39.3	-177	-63.7	-31.7	0	0	0	112.8	M89 W95 M96 T97 G103 L397 Y398 C401 Y402	M89-W99 HydrophobicContact CE-CH2 3.61Å; M89-W99 HydrophobicContact CE-CZ3 3.56Å; W95-W99 HydrophobicContact CB-CD2 4.34Å; W95-W99 HydrophobicContact CB-CE3 4.37Å; W95-W99 HydrophobicContact CB-CH2 3.69Å; W95-W99 HydrophobicContact CB-CZ2 3.62Å; W95-W99 HydrophobicContact CB-CZ3 4.08Å; W95-W99 AromaticContact CD2-CZ2 3.95Å; W95-W99 HydrophobicContact CD2-CZ2 3.95Å; W95-W99 AromaticContact CE3-CE2 3.66Å; W95-W99 AromaticContact CE3-CZ2 3.78Å; W95-W99 HydrophobicContact CE3-CZ2 3.78Å; W95-W99 AromaticContact CE3-NE1 3.33Å; W95-W99 VanDerWaalsContact CE3-NE1 3.33Å; W95-W99 HydrophobicContact CG-CH2 4.31Å; W95-W99 AromaticContact CG-CZ2 3.94Å; W95-W99 HydrophobicContact CG-CZ2 3.94Å; W95-W99 AromaticContact CZ3-NE1 3.81Å; W95-W99 VanDerWaalsContact O-CD2 3.22Å; W95-W99 PolarHBondContact O-N 2.74Å; M96-W99 HydrophobicContact CB-CE3 4.49Å; M96-W99 HydrophobicContact CG-CE3 4.02Å; M96-W99 HydrophobicContact CG-CZ3 3.89Å; M96-W99 PolarHBondContact O-N 3.41Å; T97-W99 PolarHBondContact O-N 3.32Å; W99-G103 PolarHBondContact O-N 2.88Å; W99-L397 HydrophobicContact CB-CB 4.01Å; W99-L397 HydrophobicContact CD2-CB 4.39Å; W99-L397 HydrophobicContact CE3-CB 3.71Å; W99-Y398 AromaticContact CE2-CD2 3.87Å; W99-Y398 HydrophobicContact CH2-CD2 4.31Å; W99-Y398 AromaticContact CZ2-CD2 3.58Å; W99-Y398 HydrophobicContact CZ2-CD2 3.58Å; W99-Y398 HydrophobicContact CZ2-CG 4.19Å; W99-C401 HydrophobicContact CB-CB 3.76Å; W99-C401 HydrophobicContact CG-CB 3.98Å; W99-Y402 AromaticContact NE1-CE2 3.5Å
100	V	98.4	Very high	97.8	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.018	15%	0.152	C	C	.	.	H	α-helix	trans	-67.4	-50.5	177.1	172.9	0	0	0	0	111	L75 C78 L79 M96 T97 Y98 G103 L104 L397	L75-V100 HydrophobicContact CB-CG1 4.41Å; L75-V100 WeakPolarHBondContact O-CG1 3.35Å; C78-V100 HydrophobicContact CB-CG2 4.11Å; L79-V100 HydrophobicContact CB-CG1 3.82Å; L79-V100 HydrophobicContact CD1-CG1 3.89Å; L79-V100 HydrophobicContact CD2-CG1 4.41Å; L79-V100 HydrophobicContact CG-CG1 4.25Å; M96-V100 VanDerWaalsContact O-CG2 3.3Å; M96-V100 WeakPolarHBondContact O-CG2 3.21Å; M96-V100 PolarHBondContact O-N 2.76Å; M96-V100 VanDerWaalsContact O-N 3.08Å; T97-V100 PolarHBondContact O-N 3.36Å; Y98-V100 VanDerWaalsContact C-N 3.31Å; Y98-V100 PolarHBondContact O-N 2.9Å; V100-G103 PolarHBondContact O-N 2.94Å; V100-L104 HydrophobicContact CG1-CD1 4.11Å; V100-L104 WeakPolarHBondContact O-CG 3.48Å; V100-L104 PolarHBondContact O-N 3.27Å; V100-L397 HydrophobicContact CG2-CD1 3.77Å; V100-L397 HydrophobicContact CG2-CD2 3.47Å; V100-L397 VanDerWaalsContact CG2-CD2 3.47Å; V100-L397 HydrophobicContact CG2-CG 4.22Å
101	L	98.7	Very high	97.8	Very high	4 Å²	4	24.9 Å²	24.9	2%	0.021	15%	0.145	C	C	.	.	H	α-helix	trans	-65.1	-46.1	-176.2	-65.8	178.3	0	0	0	111.6	L79 T97 Y98 L104 D105 L111 A119 A152 V155 I156	L79-L101 HydrophobicContact CD1-CD2 4.39Å; T97-L101 HydrophobicContact CG2-CD1 3.69Å; T97-L101 HydrophobicContact CG2-CG 4.31Å; T97-L101 WeakPolarHBondContact O-CB 3.33Å; T97-L101 WeakPolarHBondContact O-CG 3.42Å; T97-L101 PolarHBondContact O-N 3.34Å; Y98-L101 PolarHBondContact O-N 3.31Å; L101-L104 PolarHBondContact O-N 3.27Å; L101-D105 WeakPolarHBondContact O-CB 3.37Å; L101-D105 PolarHBondContact O-N 3.25Å; L101-L111 HydrophobicContact CD2-CD1 3.7Å; L101-L111 HydrophobicContact CD2-CD2 3.63Å; L101-L111 HydrophobicContact CD2-CG 4.33Å; L101-A119 HydrophobicContact CD1-CB 4.12Å; L101-A152 HydrophobicContact CD1-CB 4.24Å; L101-V155 HydrophobicContact CB-CG1 3.98Å; L101-I156 HydrophobicContact CD1-CD1 3.91Å; L101-I156 HydrophobicContact CD1-CG1 3.83Å
102	H	98.8	Very high	97.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66.3	-39.7	177.8	-173.9	39.2	0	0	0	111.8	Y98 L104 D105 L106 V155 C401 S405 N439	Y98-H102 HydrophobicContact CD2-CB 4.21Å; Y98-H102 HydrophobicContact CE2-CB 3.85Å; Y98-H102 AromaticContact CZ-CD2 3.97Å; Y98-H102 VanDerWaalsContact O-CB 3.28Å; Y98-H102 WeakPolarHBondContact O-CB 3.47Å; Y98-H102 PolarHBondContact O-N 2.63Å; H102-L104 VanDerWaalsContact C-N 3.34Å; H102-L104 PolarHBondContact O-N 3.12Å; H102-D105 PolarHBondContact O-N 3.41Å; H102-L106 WeakPolarHBondContact O-CB 3.33Å; H102-L106 WeakPolarHBondContact O-CG 3.29Å; H102-L106 PolarHBondContact O-N 3.43Å; H102-V155 HydrophobicContact CB-CG2 4.3Å; H102-C401 VanDerWaalsContact CD2-SG 3.57Å; H102-S405 PolarHBondContact NE2-OG 3.37Å; H102-N439 PolarHBondContact CD2-O 2.81Å; H102-N439 VanDerWaalsContact CD2-O 3.31Å; H102-N439 PolarHBondContact CE1-O 3.33Å; H102-N439 VanDerWaalsContact CE1-O 3.31Å; H102-N439 PolarHBondContact NE2-O 3.36Å; H102-N439 PolarHBondContact NE2-OD1 2.95Å
103	G	98.7	Very high	97.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.3	-42.2	174.1	0	0	0	0	0	112.9	W99 V100 L107	W99-G103 PolarHBondContact O-N 2.88Å; V100-G103 PolarHBondContact O-N 2.94Å; G103-L107 WeakPolarHBondContact O-CD1 3.47Å; G103-L107 VanDerWaalsContact O-CG 3.25Å; G103-L107 WeakPolarHBondContact O-CG 3.3Å; G103-L107 PolarHBondContact O-N 3.37Å
104	L	98.7	Very high	97.8	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.016	18%	0.177	C	C	.	.	H	α-helix	trans	-66.4	-43.4	175.4	-71.2	170	0	0	0	111.6	V72 L75 R76 V100 L101 H102 L107 G108 E109 L111	V72-L104 HydrophobicContact CG1-CD2 4.25Å; L75-L104 HydrophobicContact CB-CD2 3.84Å; L75-L104 HydrophobicContact CB-CG 4.01Å; L75-L104 HydrophobicContact CD1-CD2 4.21Å; L75-L104 HydrophobicContact CD1-CG 4.28Å; R76-L104 HydrophobicContact CG-CD2 4.08Å; V100-L104 HydrophobicContact CG1-CD1 4.11Å; V100-L104 WeakPolarHBondContact O-CG 3.48Å; V100-L104 PolarHBondContact O-N 3.27Å; L101-L104 PolarHBondContact O-N 3.27Å; H102-L104 VanDerWaalsContact C-N 3.34Å; H102-L104 PolarHBondContact O-N 3.12Å; L104-L107 PolarHBondContact O-N 3.45Å; L104-G108 PolarHBondContact O-N 2.82Å; L104-E109 HydrophobicContact CB-CB 4.32Å; L104-E109 HydrophobicContact CD2-CB 4.14Å; L104-E109 HydrophobicContact CD2-CG 4.46Å; L104-E109 WeakPolarHBondContact O-CB 3.41Å; L104-E109 PolarHBondContact O-N 3.34Å; L104-L111 HydrophobicContact CD1-CD1 4.43Å
105	D	98.7	Very high	97.7	Very high	10 Å²	10	33.5 Å²	33.5	5%	0.053	19%	0.185	C	C	.	.	H	α-helix	trans	-61.7	-46.9	178.4	-172.5	40.7	0	0	0	111.8	L101 H102 L107 G108 V155 R432 T441	L101-D105 WeakPolarHBondContact O-CB 3.37Å; L101-D105 PolarHBondContact O-N 3.25Å; H102-D105 PolarHBondContact O-N 3.41Å; D105-L107 VanDerWaalsContact C-N 3.27Å; D105-L107 PolarHBondContact O-N 3.05Å; D105-G108 PolarHBondContact O-N 2.94Å; D105-V155 HydrophobicContact CB-CG1 3.82Å; D105-R432 WeakPolarHBondContact O-CD 3.28Å; D105-R432 PolarHBondContact O-NH1 3.37Å; D105-R432 IonicContact OD1-CZ 3.83Å; D105-R432 IonicContact OD1-NH1 2.81Å; D105-R432 PolarHBondContact OD1-NH1 3.42Å; D105-T441 WeakPolarHBondContact OD2-CB 3.36Å; D105-T441 WeakPolarHBondContact OD2-CG2 3.5Å; D105-T441 PolarHBondContact OD2-OG1 3.12Å
106	L	98.8	Very high	97.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-52.8	-42.6	173.1	-86.6	162.6	0	0	0	112.7	H102 G108 L404 V431 R432 I434	H102-L106 WeakPolarHBondContact O-CB 3.33Å; H102-L106 WeakPolarHBondContact O-CG 3.29Å; H102-L106 PolarHBondContact O-N 3.43Å; L106-G108 PolarHBondContact O-N 3.5Å; L106-L404 HydrophobicContact CD1-CB 3.89Å; L106-V431 HydrophobicContact CD2-CB 4.5Å; L106-V431 HydrophobicContact CD2-CG2 4.46Å; L106-V431 WeakPolarHBondContact O-CA 3.18Å; L106-V431 WeakPolarHBondContact O-CB 3.23Å; L106-R432 PolarHBondContact O-N 2.72Å; L106-I434 HydrophobicContact CD2-CG2 3.5Å; L106-I434 VanDerWaalsContact CD2-CG2 3.5Å; L106-I434 HydrophobicContact CG-CG2 4.33Å
107	L	98.6	Very high	97.7	Very high	6 Å²	6	34.1 Å²	34.1	3%	0.031	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-4.9	-179.2	-67	170.8	0	0	0	113.7	L66 R68 H71 V72 L75 G103 L104 D105 E109 L404 V431	L66-L107 HydrophobicContact CD2-CD2 3.94Å; R68-L107 HydrophobicContact CG-CB 4.46Å; R68-L107 HydrophobicContact CG-CD2 4.26Å; R68-L107 PolarHBondContact NE-O 3.49Å; R68-L107 VanDerWaalsContact NE-O 3.16Å; H71-L107 HydrophobicContact CB-CD1 3.7Å; V72-L107 HydrophobicContact CG2-CB 4.27Å; V72-L107 HydrophobicContact CG2-CD1 3.8Å; L75-L107 HydrophobicContact CD1-CD1 3.81Å; G103-L107 WeakPolarHBondContact O-CD1 3.47Å; G103-L107 VanDerWaalsContact O-CG 3.25Å; G103-L107 WeakPolarHBondContact O-CG 3.3Å; G103-L107 PolarHBondContact O-N 3.37Å; L104-L107 PolarHBondContact O-N 3.45Å; D105-L107 VanDerWaalsContact C-N 3.27Å; D105-L107 PolarHBondContact O-N 3.05Å; L107-E109 HydrophobicContact CB-CG 4.29Å; L107-L404 HydrophobicContact CD1-CD1 4.22Å; L107-L404 HydrophobicContact CD2-CD1 4.17Å; L107-L404 HydrophobicContact CD2-CD2 4.07Å; L107-L404 HydrophobicContact CG-CD1 4.11Å; L107-V431 HydrophobicContact CD2-CG1 4.26Å
108	G	98.1	Very high	97.7	Very high	29 Å²	29	37.9 Å²	37.9	30%	0.299	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	7	-179.6	0	0	0	0	0	114.3	L104 D105 L106 R432	L104-G108 PolarHBondContact O-N 2.82Å; D105-G108 PolarHBondContact O-N 2.94Å; L106-G108 PolarHBondContact O-N 3.5Å; G108-R432 VanDerWaalsContact CA-CZ 3.49Å; G108-R432 PolarHBondContact O-NH2 3.37Å; G108-R432 VanDerWaalsContact O-NH2 3.14Å
109	E	97.7	Very high	97.7	Very high	54 Å²	54	38.2 Å²	38.2	25%	0.252	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-85.6	128.7	-169.2	-71.3	-63.1	143.6	0	0	112.8	V72 R76 L104 L107	V72-E109 HydrophobicContact CB-CG 4.16Å; V72-E109 HydrophobicContact CG1-CG 3.75Å; V72-E109 HydrophobicContact CG2-CG 3.27Å; R76-E109 IonicContact NH2-OE2 3.95Å; R76-E109 PolarHBondContact NH2-OE2 3.44Å; L104-E109 HydrophobicContact CB-CB 4.32Å; L104-E109 HydrophobicContact CD2-CB 4.14Å; L104-E109 HydrophobicContact CD2-CG 4.46Å; L104-E109 WeakPolarHBondContact O-CB 3.41Å; L104-E109 PolarHBondContact O-N 3.34Å; L107-E109 HydrophobicContact CB-CG 4.29Å
110	P	94.9	Very high	97.7	Very high	96 Å²	96	37.6 Å²	37.6	62%	0.623	21%	0.212	S	C	*	.	P	Polyproline II helix	trans	-68.8	138.1	175.6	28.3	-33.1	0	0	0	111.1	R76	R76-P110 PolarHBondContact NH2-O 3.38Å
111	L	95.3	Very high	97.7	Very high	53 Å²	53	41.3 Å²	41.3	28%	0.277	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-84.9	128.4	171.8	-171.8	65.1	0	0	0	109.3	L79 L101 L104 A116 I156	L79-L111 HydrophobicContact CD2-CD1 3.9Å; L101-L111 HydrophobicContact CD2-CD1 3.7Å; L101-L111 HydrophobicContact CD2-CD2 3.63Å; L101-L111 HydrophobicContact CD2-CG 4.33Å; L104-L111 HydrophobicContact CD1-CD1 4.43Å; L111-A116 HydrophobicContact CD2-CB 3.67Å; L111-A116 HydrophobicContact CG-CB 4.13Å; L111-I156 HydrophobicContact CD2-CG1 4.18Å
112	A	95.5	Very high	97.7	Very high	47 Å²	47	43 Å²	43	39%	0.388	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-64.9	144.1	174.8	0	0	0	0	0	110.3	E114 S115 A116	A112-E114 VanDerWaalsContact C-N 3.27Å; A112-E114 PolarHBondContact O-N 3.32Å; A112-S115 PolarHBondContact O-N 2.88Å; A112-S115 VanDerWaalsContact O-N 3.09Å; A112-A116 PolarHBondContact O-N 3.03Å
113	E	96.3	Very high	97.7	Very high	155 Å²	155	43 Å²	43	72%	0.724	24%	0.237	S	C	*	.	H	α-helix	trans	-56.7	-40.9	-178.5	-176.1	-180	171.5	0	0	112.3	A116 N117	E113-A116 WeakPolarHBondContact O-CB 3.4Å; E113-A116 PolarHBondContact O-N 2.78Å; E113-N117 WeakPolarHBondContact O-CB 3.44Å; E113-N117 PolarHBondContact O-N 3.4Å; E113-N117 PolarHBondContact O-ND2 3.19Å
114	E	96.8	Very high	97.6	Very high	142 Å²	142	48.6 Å²	48.6	66%	0.664	26%	0.258	S	S	*	.	H	α-helix	trans	-59.2	-49.6	175	-174.5	-173.7	172.2	0	0	111.7	A112 A116 N117 N118	A112-E114 VanDerWaalsContact C-N 3.27Å; A112-E114 PolarHBondContact O-N 3.32Å; E114-A116 VanDerWaalsContact C-N 3.31Å; E114-A116 PolarHBondContact O-N 3.03Å; E114-N117 PolarHBondContact O-N 3.47Å; E114-N118 WeakPolarHBondContact O-CB 3.28Å; E114-N118 VanDerWaalsContact O-CG 3.25Å; E114-N118 PolarHBondContact O-N 3.28Å; E114-N118 PolarHBondContact O-ND2 2.86Å
115	S	96.7	Very high	97.6	Very high	23 Å²	23	51.4 Å²	51.4	16%	0.161	28%	0.275	C	S	.	.	H	α-helix	trans	-62.7	-38.7	178.3	-54.2	0	0	0	0	112.1	A112 A119	A112-S115 PolarHBondContact O-N 2.88Å; A112-S115 VanDerWaalsContact O-N 3.09Å; S115-A119 WeakPolarHBondContact O-CB 3.43Å; S115-A119 PolarHBondContact O-N 2.87Å
116	A	97.9	Very high	97.6	Very high	13 Å²	13	51 Å²	51	11%	0.107	27%	0.273	C	S	.	.	H	α-helix	trans	-61.7	-48.7	174.3	0	0	0	0	0	111	L111 A112 E113 E114 N118 A119 I120 I156	L111-A116 HydrophobicContact CD2-CB 3.67Å; L111-A116 HydrophobicContact CG-CB 4.13Å; A112-A116 PolarHBondContact O-N 3.03Å; E113-A116 WeakPolarHBondContact O-CB 3.4Å; E113-A116 PolarHBondContact O-N 2.78Å; E114-A116 VanDerWaalsContact C-N 3.31Å; E114-A116 PolarHBondContact O-N 3.03Å; A116-N118 PolarHBondContact O-N 3.38Å; A116-A119 PolarHBondContact O-N 3.46Å; A116-I120 VanDerWaalsContact O-CG1 3.23Å; A116-I120 WeakPolarHBondContact O-CG1 3.46Å; A116-I120 PolarHBondContact O-N 3.26Å; A116-I156 HydrophobicContact CB-CG2 4.12Å
117	N	98.2	Very high	97.6	Very high	46 Å²	46	52.9 Å²	52.9	25%	0.246	28%	0.282	C	S	.	.	H	α-helix	trans	-62.1	-42.5	178.5	-78.9	-41.4	0	0	0	112.5	E113 E114 I120 E121 K160	E113-N117 WeakPolarHBondContact O-CB 3.44Å; E113-N117 PolarHBondContact O-N 3.4Å; E113-N117 PolarHBondContact O-ND2 3.19Å; E114-N117 PolarHBondContact O-N 3.47Å; N117-I120 PolarHBondContact O-N 3.11Å; N117-E121 WeakPolarHBondContact O-CB 3.4Å; N117-E121 PolarHBondContact O-N 3.06Å; N117-K160 PolarHBondContact OD1-NZ 3.12Å
118	N	97.6	Very high	97.6	Very high	98 Å²	98	53.5 Å²	53.5	52%	0.524	29%	0.287	S	S	.	.	H	α-helix	trans	-63.8	-41.6	177.2	-70.2	-15	0	0	0	111.7	E114 A116 E121 F122	E114-N118 WeakPolarHBondContact O-CB 3.28Å; E114-N118 VanDerWaalsContact O-CG 3.25Å; E114-N118 PolarHBondContact O-N 3.28Å; E114-N118 PolarHBondContact O-ND2 2.86Å; A116-N118 PolarHBondContact O-N 3.38Å; N118-E121 PolarHBondContact O-N 3.19Å; N118-F122 VanDerWaalsContact O-CB 3.28Å; N118-F122 WeakPolarHBondContact O-CB 3.12Å; N118-F122 PolarHBondContact O-N 3.11Å
119	A	98.1	Very high	97.5	Very high	6 Å²	6	57.3 Å²	57.3	5%	0.05	31%	0.307	C	S	.	.	H	α-helix	trans	-66.5	-44.6	176.7	0	0	0	0	0	112.2	T97 L101 S115 A116 E121 F122 L123 I156	T97-A119 HydrophobicContact CG2-CB 4.1Å; L101-A119 HydrophobicContact CD1-CB 4.12Å; S115-A119 WeakPolarHBondContact O-CB 3.43Å; S115-A119 PolarHBondContact O-N 2.87Å; A116-A119 PolarHBondContact O-N 3.46Å; A119-E121 VanDerWaalsContact C-N 3.28Å; A119-E121 PolarHBondContact O-N 3.26Å; A119-F122 PolarHBondContact O-N 3.5Å; A119-L123 WeakPolarHBondContact O-CB 3.48Å; A119-L123 VanDerWaalsContact O-CG 3.28Å; A119-L123 WeakPolarHBondContact O-CG 3.39Å; A119-L123 PolarHBondContact O-N 2.62Å; A119-I156 HydrophobicContact CB-CD1 3.88Å
120	I	98.7	Very high	97.5	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-55	-48.7	174.1	-70.5	167.9	0	0	0	109.8	A116 N117 L123 R124 L153 I156 K160 A161 V164	A116-I120 VanDerWaalsContact O-CG1 3.23Å; A116-I120 WeakPolarHBondContact O-CG1 3.46Å; A116-I120 PolarHBondContact O-N 3.26Å; N117-I120 PolarHBondContact O-N 3.11Å; I120-L123 PolarHBondContact O-N 3.23Å; I120-R124 WeakPolarHBondContact O-CB 3.23Å; I120-R124 PolarHBondContact O-N 3.35Å; I120-L153 HydrophobicContact CG1-CD2 4.38Å; I120-I156 HydrophobicContact CD1-CG2 4.01Å; I120-I156 HydrophobicContact CG1-CD1 3.73Å; I120-I156 HydrophobicContact CG1-CG2 4.22Å; I120-K160 HydrophobicContact CD1-CB 4.26Å; I120-K160 HydrophobicContact CD1-CD 4.14Å; I120-K160 HydrophobicContact CD1-CG 4.15Å; I120-K160 HydrophobicContact CG2-CG 4.22Å; I120-A161 HydrophobicContact CD1-CB 3.87Å; I120-A161 HydrophobicContact CG1-CB 3.85Å; I120-V164 HydrophobicContact CG2-CG2 3.55Å
121	E	98.5	Very high	97.6	Very high	82 Å²	82	54 Å²	54	38%	0.383	29%	0.288	S	S	.	.	H	α-helix	trans	-72.4	-37.1	-173.4	-160.7	64.5	167.9	0	0	112.7	N117 N118 A119 R124 T125	N117-E121 WeakPolarHBondContact O-CB 3.4Å; N117-E121 PolarHBondContact O-N 3.06Å; N118-E121 PolarHBondContact O-N 3.19Å; A119-E121 VanDerWaalsContact C-N 3.28Å; A119-E121 PolarHBondContact O-N 3.26Å; E121-R124 VanDerWaalsContact CD-NH2 3.33Å; E121-R124 WeakPolarHBondContact O-CB 3.47Å; E121-R124 PolarHBondContact O-N 3.39Å; E121-R124 IonicContact OE1-CZ 3.66Å; E121-R124 VanDerWaalsContact OE1-CZ 3.28Å; E121-R124 IonicContact OE1-NE 3.7Å; E121-R124 PolarHBondContact OE1-NE 2.98Å; E121-R124 VanDerWaalsContact OE1-NE 3.14Å; E121-R124 IonicContact OE1-NH2 3.92Å; E121-R124 PolarHBondContact OE1-NH2 2.88Å; E121-R124 IonicContact OE2-CZ 3.88Å; E121-R124 IonicContact OE2-NE 3.54Å; E121-R124 PolarHBondContact OE2-NE 3.5Å; E121-R124 IonicContact OE2-NH2 2.83Å; E121-T125 WeakPolarHBondContact O-CG2 3.47Å; E121-T125 PolarHBondContact O-N 3.27Å
122	F	98.3	Very high	97.8	Very high	39 Å²	39	51.5 Å²	51.5	17%	0.171	28%	0.275	C	S	.	.	H	α-helix	trans	-58.5	-50.5	168.7	170.3	-109.4	0	0	0	111.9	R93 T97 N118 A119 R124 T125 C126 P137	R93-F122 HydrophobicContact CB-CE1 4.21Å; R93-F122 HydrophobicContact CB-CE2 4.49Å; R93-F122 HydrophobicContact CB-CZ 3.55Å; R93-F122 VanDerWaalsContact NH2-CE2 3.28Å; T97-F122 WeakPolarHBondContact OG1-CD1 3.28Å; T97-F122 WeakPolarHBondContact OG1-CE1 3.45Å; N118-F122 VanDerWaalsContact O-CB 3.28Å; N118-F122 WeakPolarHBondContact O-CB 3.12Å; N118-F122 PolarHBondContact O-N 3.11Å; A119-F122 PolarHBondContact O-N 3.5Å; F122-R124 VanDerWaalsContact C-N 3.3Å; F122-R124 PolarHBondContact O-N 2.88Å; F122-T125 PolarHBondContact O-N 3.43Å; F122-T125 VanDerWaalsContact O-N 3.07Å; F122-T125 PolarHBondContact O-OG1 2.99Å; F122-C126 WeakPolarHBondContact CZ-SG 3.48Å; F122-C126 PolarHBondContact O-N 3.39Å; F122-C126 PolarHBondContact O-SG 3.4Å; F122-P137 HydrophobicContact CD2-CG 4.49Å; F122-P137 HydrophobicContact CE2-CG 4.02Å
123	L	98.7	Very high	97.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.4	-34.8	-179.6	-69.1	172.6	0	0	0	112	T97 A119 I120 T125 C126 Q127 F133 A152 L153	T97-L123 HydrophobicContact CG2-CD1 4.1Å; T97-L123 HydrophobicContact CG2-CD2 4.33Å; T97-L123 HydrophobicContact CG2-CG 4.26Å; A119-L123 WeakPolarHBondContact O-CB 3.48Å; A119-L123 VanDerWaalsContact O-CG 3.28Å; A119-L123 WeakPolarHBondContact O-CG 3.39Å; A119-L123 PolarHBondContact O-N 2.62Å; I120-L123 PolarHBondContact O-N 3.23Å; L123-T125 VanDerWaalsContact C-N 3.27Å; L123-T125 PolarHBondContact O-N 3.18Å; L123-C126 WeakPolarHBondContact O-CB 3.41Å; L123-C126 PolarHBondContact O-N 2.98Å; L123-Q127 PolarHBondContact O-N 2.86Å; L123-F133 WeakPolarHBondContact O-CE1 3.35Å; L123-A152 HydrophobicContact CD1-CB 3.66Å; L123-L153 HydrophobicContact CB-CD2 4.28Å; L123-L153 HydrophobicContact CD1-CD2 3.82Å; L123-L153 HydrophobicContact CD1-CG 3.87Å
124	R	98.6	Very high	98	Very high	118 Å²	118	41.9 Å²	41.9	45%	0.445	22%	0.222	S	C	.	.	H	α-helix	trans	-57.1	-40.9	172	-171.7	-177.7	66.4	75.1	-0.3	111.8	I120 E121 F122 C126 Q127 V164	I120-R124 WeakPolarHBondContact O-CB 3.23Å; I120-R124 PolarHBondContact O-N 3.35Å; E121-R124 VanDerWaalsContact CD-NH2 3.33Å; E121-R124 WeakPolarHBondContact O-CB 3.47Å; E121-R124 PolarHBondContact O-N 3.39Å; E121-R124 IonicContact OE1-CZ 3.66Å; E121-R124 VanDerWaalsContact OE1-CZ 3.28Å; E121-R124 IonicContact OE1-NE 3.7Å; E121-R124 PolarHBondContact OE1-NE 2.98Å; E121-R124 VanDerWaalsContact OE1-NE 3.14Å; E121-R124 IonicContact OE1-NH2 3.92Å; E121-R124 PolarHBondContact OE1-NH2 2.88Å; E121-R124 IonicContact OE2-CZ 3.88Å; E121-R124 IonicContact OE2-NE 3.54Å; E121-R124 PolarHBondContact OE2-NE 3.5Å; E121-R124 IonicContact OE2-NH2 2.83Å; F122-R124 VanDerWaalsContact C-N 3.3Å; F122-R124 PolarHBondContact O-N 2.88Å; R124-C126 VanDerWaalsContact C-N 3.26Å; R124-C126 PolarHBondContact O-N 3.32Å; R124-Q127 WeakPolarHBondContact O-CB 3.22Å; R124-Q127 PolarHBondContact O-N 3.25Å; R124-V164 HydrophobicContact CB-CG1 3.92Å; R124-V164 HydrophobicContact CB-CG2 4.25Å; R124-V164 HydrophobicContact CG-CG1 4.27Å
125	T	98.4	Very high	98.1	Very high	61 Å²	61	35.2 Å²	35.2	37%	0.374	19%	0.192	S	C	.	.	H	α-helix	trans	-71.9	-17.8	176.5	66.7	0	0	0	0	114	E121 F122 L123 P137	E121-T125 WeakPolarHBondContact O-CG2 3.47Å; E121-T125 PolarHBondContact O-N 3.27Å; F122-T125 PolarHBondContact O-N 3.43Å; F122-T125 VanDerWaalsContact O-N 3.07Å; F122-T125 PolarHBondContact O-OG1 2.99Å; L123-T125 VanDerWaalsContact C-N 3.27Å; L123-T125 PolarHBondContact O-N 3.18Å; T125-P137 WeakPolarHBondContact O-CA 3.1Å; T125-P137 WeakPolarHBondContact OG1-CG 3.46Å
126	C	98.6	Very high	98.1	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.014	18%	0.184	C	C	.	.	H	α-helix	trans	-84.6	-11.4	175.7	-59.6	0	0	0	0	112.9	F122 L123 R124 F133 G134	F122-C126 WeakPolarHBondContact CZ-SG 3.48Å; F122-C126 PolarHBondContact O-N 3.39Å; F122-C126 PolarHBondContact O-SG 3.4Å; L123-C126 WeakPolarHBondContact O-CB 3.41Å; L123-C126 PolarHBondContact O-N 2.98Å; R124-C126 VanDerWaalsContact C-N 3.26Å; R124-C126 PolarHBondContact O-N 3.32Å; C126-F133 HydrophobicContact CB-CD1 4.46Å; C126-F133 WeakPolarHBondContact O-CA 3.35Å; C126-G134 PolarHBondContact O-N 3.47Å
127	Q	98.4	Very high	98.1	Very high	40 Å²	40	36.2 Å²	36.2	19%	0.187	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-71.8	129.6	178.8	-169.5	161.1	-142.9	0	0	110.7	L123 R124 F133 V164	L123-Q127 PolarHBondContact O-N 2.86Å; R124-Q127 WeakPolarHBondContact O-CB 3.22Å; R124-Q127 PolarHBondContact O-N 3.25Å; Q127-F133 HydrophobicContact CB-CD1 3.86Å; Q127-F133 HydrophobicContact CB-CE1 3.69Å; Q127-F133 HydrophobicContact CB-CZ 4.22Å; Q127-F133 HydrophobicContact CG-CD1 4.39Å; Q127-F133 HydrophobicContact CG-CE1 4.07Å; Q127-F133 HydrophobicContact CG-CE2 4.44Å; Q127-F133 HydrophobicContact CG-CZ 4.09Å; Q127-V164 PolarHBondContact NE2-O 2.87Å; Q127-V164 PolarHBondContact OE1-O 3.2Å
128	S	98	Very high	98.1	Very high	18 Å²	18	38 Å²	38	13%	0.126	23%	0.226	C	C	.	.			trans	-77.1	142.8	-179.1	179.1	0	0	0	0	111.1	T130 G131 G132	S128-T130 PolarHBondContact O-N 2.86Å; S128-T130 PolarHBondContact OG-N 3.48Å; S128-T130 PolarHBondContact OG-OG1 3.49Å; S128-T130 VanDerWaalsContact OG-OG1 3.1Å; S128-G131 WeakPolarHBondContact CB-O 3.24Å; S128-G131 PolarHBondContact O-N 3.4Å; S128-G132 PolarHBondContact N-O 3.18Å
129	P	97	Very high	98	Very high	110 Å²	110	36 Å²	36	71%	0.714	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-21.4	170	-25.6	34.8	0	0	0	114.1	K169	P129-K169 WeakPolarHBondContact O-CD 3.36Å
130	T	96.7	Very high	98	Very high	80 Å²	80	40.5 Å²	40.5	49%	0.491	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	16.1	179.7	65.5	0	0	0	0	113.6	S128 R176	S128-T130 PolarHBondContact O-N 2.86Å; S128-T130 PolarHBondContact OG-N 3.48Å; S128-T130 PolarHBondContact OG-OG1 3.49Å; S128-T130 VanDerWaalsContact OG-OG1 3.1Å; T130-R176 VanDerWaalsContact CB-NH2 3.28Å; T130-R176 PolarHBondContact O-NH2 2.85Å; T130-R176 PolarHBondContact OG1-NH2 2.98Å
131	G	97.9	Very high	98	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	88.9	158.7	179.5	0	0	0	0	0	114.7	S128 A141 K169 Y173	S128-G131 WeakPolarHBondContact CB-O 3.24Å; S128-G131 PolarHBondContact O-N 3.4Å; G131-A141 VanDerWaalsContact O-CB 3.28Å; G131-A141 WeakPolarHBondContact O-CB 3.12Å; G131-K169 WeakPolarHBondContact CA-O 3.48Å; G131-Y173 WeakPolarHBondContact O-CD2 3.49Å
132	G	98.4	Very high	98	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	72.4	-179.8	-171.5	0	0	0	0	0	113.3	S128	S128-G132 PolarHBondContact N-O 3.18Å
133	F	98.8	Very high	98	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-122	142.6	179.7	-63	-106.5	0	0	0	111	L123 C126 Q127 A141 H142 T145 T146 S149 I150 L153 V164 I165	L123-F133 WeakPolarHBondContact O-CE1 3.35Å; C126-F133 HydrophobicContact CB-CD1 4.46Å; C126-F133 WeakPolarHBondContact O-CA 3.35Å; Q127-F133 HydrophobicContact CB-CD1 3.86Å; Q127-F133 HydrophobicContact CB-CE1 3.69Å; Q127-F133 HydrophobicContact CB-CZ 4.22Å; Q127-F133 HydrophobicContact CG-CD1 4.39Å; Q127-F133 HydrophobicContact CG-CE1 4.07Å; Q127-F133 HydrophobicContact CG-CE2 4.44Å; Q127-F133 HydrophobicContact CG-CZ 4.09Å; F133-A141 WeakPolarHBondContact O-CA 3.5Å; F133-H142 PolarHBondContact O-N 3.3Å; F133-T145 PolarHBondContact O-OG1 3.36Å; F133-T146 HydrophobicContact CD2-CG2 4.27Å; F133-T146 PolarHBondContact N-OG1 3.43Å; F133-T146 PolarHBondContact O-OG1 3.05Å; F133-S149 VanDerWaalsContact CB-OG 3.29Å; F133-S149 WeakPolarHBondContact CB-OG 3.22Å; F133-S149 VanDerWaalsContact CD1-CB 3.5Å; F133-S149 VanDerWaalsContact CG-CB 3.41Å; F133-I150 HydrophobicContact CE2-CG1 4.23Å; F133-L153 HydrophobicContact CE1-CD1 4.45Å; F133-L153 HydrophobicContact CZ-CD1 4.21Å; F133-V164 HydrophobicContact CE1-CG1 4.3Å; F133-V164 HydrophobicContact CZ-CG1 4.45Å; F133-I165 HydrophobicContact CZ-CG1 4.3Å
134	G	98.5	Very high	98	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-88.2	176.7	171.5	0	0	0	0	0	113.5	S94 C126 G136 K140 T145	S94-G134 PolarHBondContact OG-O 3.45Å; S94-G134 VanDerWaalsContact OG-O 3.05Å; C126-G134 PolarHBondContact O-N 3.47Å; G134-G136 PolarHBondContact O-N 3.27Å; G134-K140 WeakPolarHBondContact CA-O 3.41Å; G134-T145 WeakPolarHBondContact O-CB 3.35Å
135	G	97.9	Very high	98	Very high	3 Å²	3	32 Å²	32	3%	0.031	20%	0.201	C	C	.	.	S	Bend	trans	-66.9	-24.3	174	0	0	0	0	0	114.3	A91 R93 S94 Q139	A91-G135 WeakPolarHBondContact O-CA 3.25Å; R93-G135 WeakPolarHBondContact CA-O 3.49Å; R93-G135 VanDerWaalsContact CB-O 3.24Å; R93-G135 WeakPolarHBondContact CB-O 2.96Å; R93-G135 PolarHBondContact N-O 3.03Å; S94-G135 PolarHBondContact N-O 3.26Å; S94-G135 VanDerWaalsContact N-O 3.09Å; G135-Q139 VanDerWaalsContact CA-OE1 3.32Å
136	G	97.6	Very high	98	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-166	178.9	179.4	0	0	0	0	0	110.9	G134 G138 Q139	G134-G136 PolarHBondContact O-N 3.27Å; G136-G138 PolarHBondContact O-N 3.02Å; G136-Q139 VanDerWaalsContact N-OE1 3.12Å; G136-Q139 WeakPolarHBondContact O-CB 3.42Å; G136-Q139 PolarHBondContact O-N 3.46Å; G136-Q139 VanDerWaalsContact O-N 3.13Å
137	P	97.8	Very high	98	Very high	56 Å²	56	29.1 Å²	29.1	36%	0.364	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	131.5	-176	-22.7	34.2	0	0	0	112	F122 T125 Q139	F122-P137 HydrophobicContact CD2-CG 4.49Å; F122-P137 HydrophobicContact CE2-CG 4.02Å; T125-P137 WeakPolarHBondContact O-CA 3.1Å; T125-P137 WeakPolarHBondContact OG1-CG 3.46Å; P137-Q139 PolarHBondContact O-N 3.08Å; P137-Q139 VanDerWaalsContact O-N 3.16Å
138	G	96.7	Very high	98.1	Very high	84 Å²	84	27.2 Å²	27.2	87%	0.866	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.6	-0	-179.3	0	0	0	0	0	115.4	G136	G136-G138 PolarHBondContact O-N 3.02Å
139	Q	97.3	Very high	98.1	Very high	55 Å²	55	26.4 Å²	26.4	26%	0.257	17%	0.168	S	C	.	.	P	Polyproline II helix	trans	-79	159.3	174.8	-62.5	-178.7	7.8	0	0	111.2	D90 A91 G135 G136 P137	D90-Q139 PolarHBondContact O-NE2 3.34Å; D90-Q139 PolarHBondContact OD2-NE2 3.33Å; A91-Q139 VanDerWaalsContact CA-OE1 3.29Å; G135-Q139 VanDerWaalsContact CA-OE1 3.32Å; G136-Q139 VanDerWaalsContact N-OE1 3.12Å; G136-Q139 WeakPolarHBondContact O-CB 3.42Å; G136-Q139 PolarHBondContact O-N 3.46Å; G136-Q139 VanDerWaalsContact O-N 3.13Å; P137-Q139 PolarHBondContact O-N 3.08Å; P137-Q139 VanDerWaalsContact O-N 3.16Å
140	K	96.7	Very high	98.2	Very high	101 Å²	101	21.1 Å²	21.1	44%	0.439	13%	0.134	S	C	.	.	P	Polyproline II helix	trans	-61	138.9	178.5	-169.8	174.3	-177.8	166.5	0	111.1	G134 H187 D188	G134-K140 WeakPolarHBondContact CA-O 3.41Å; K140-H187 HydrophobicContact CD-CB 4.35Å; K140-H187 PolarHBondContact NZ-ND1 3.44Å; K140-D188 WeakPolarHBondContact CE-O 3.47Å; K140-D188 PolarHBondContact NZ-O 3.05Å
141	A	98.4	Very high	98.3	Very high	3 Å²	3	17.3 Å²	17.3	3%	0.025	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-61	140.7	171.5	0	0	0	0	0	110.7	G131 F133 Y173 H187	G131-A141 VanDerWaalsContact O-CB 3.28Å; G131-A141 WeakPolarHBondContact O-CB 3.12Å; F133-A141 WeakPolarHBondContact O-CA 3.5Å; A141-Y173 HydrophobicContact CB-CD2 4.15Å; A141-Y173 HydrophobicContact CB-CE2 3.59Å; A141-Y173 PolarHBondContact O-OH 2.8Å; A141-H187 WeakPolarHBondContact O-CB 3.47Å
142	H	98.7	Very high	98.3	Very high	41 Å²	41	17.3 Å²	17.3	19%	0.19	11%	0.111	C	C	.	.			trans	-143.7	139.7	-179.9	-175.3	-64.3	0	0	0	109.1	F133 A144 T145 T146 Y173 M186 H187	F133-H142 PolarHBondContact O-N 3.3Å; H142-A144 VanDerWaalsContact C-N 3.33Å; H142-A144 VanDerWaalsContact CE1-CB 3.48Å; H142-A144 WeakPolarHBondContact CE1-CB 3.31Å; H142-A144 WeakPolarHBondContact ND1-CB 3.26Å; H142-A144 PolarHBondContact ND1-N 3.3Å; H142-A144 VanDerWaalsContact ND1-N 3.16Å; H142-A144 PolarHBondContact O-N 3.45Å; H142-T145 WeakPolarHBondContact CB-OG1 3.08Å; H142-T145 PolarHBondContact O-N 3.04Å; H142-T145 PolarHBondContact O-OG1 3.24Å; H142-T146 WeakPolarHBondContact O-CB 3.37Å; H142-T146 PolarHBondContact O-N 3.33Å; H142-T146 PolarHBondContact O-OG1 2.95Å; H142-Y173 VanDerWaalsContact C-OH 3.29Å; H142-Y173 VanDerWaalsContact CA-OH 3.25Å; H142-Y173 WeakPolarHBondContact CA-OH 3.23Å; H142-Y173 PolarHBondContact N-OH 2.94Å; H142-M186 CarbonylContact C-O 3.56Å; H142-M186 VanDerWaalsContact CA-O 3.28Å; H142-M186 WeakPolarHBondContact CA-O 3.34Å; H142-M186 WeakPolarHBondContact CE1-CE 3.23Å; H142-H187 HydrophobicContact CB-CB 4.46Å; H142-H187 AromaticContact CD2-CD2 3.37Å; H142-H187 PolarHBondContact CD2-CD2 3.37Å; H142-H187 AromaticContact NE2-CD2 3.95Å
143	L	98.9	Very high	98.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-60.2	-41.7	-174.4	-81	175.9	0	0	0	112.1	T145 T146 Y147 Y173 L174 M177 F184 K185 M186 G196 C199 A200	L143-T145 PolarHBondContact O-N 3.45Å; L143-T146 WeakPolarHBondContact O-CB 3.1Å; L143-T146 PolarHBondContact O-N 2.97Å; L143-Y147 PolarHBondContact O-N 3.18Å; L143-Y173 HydrophobicContact CD2-CD1 4.45Å; L143-Y173 HydrophobicContact CD2-CE1 3.72Å; L143-Y173 HydrophobicContact CG-CE1 4.16Å; L143-Y173 PolarHBondContact N-OH 2.95Å; L143-L174 HydrophobicContact CD2-CD2 3.68Å; L143-M177 HydrophobicContact CD1-CB 4.09Å; L143-M177 HydrophobicContact CD1-CG 4.24Å; L143-M177 HydrophobicContact CD2-CG 4.35Å; L143-M177 HydrophobicContact CG-CB 4.48Å; L143-M177 HydrophobicContact CG-CG 4.13Å; L143-F184 HydrophobicContact CD1-CB 4.02Å; L143-F184 HydrophobicContact CD1-CD1 4.49Å; L143-K185 WeakPolarHBondContact CD1-O 3.48Å; L143-M186 HydrophobicContact CB-CE 4.1Å; L143-M186 HydrophobicContact CB-SD 4.28Å; L143-M186 PolarHBondContact N-O 3.37Å; L143-G196 WeakPolarHBondContact CD1-O 3.22Å; L143-C199 HydrophobicContact CB-CB 3.91Å; L143-A200 HydrophobicContact CD1-CB 4.43Å; L143-A200 HydrophobicContact CD2-CB 4.11Å
144	A	98.6	Very high	98.4	Very high	13 Å²	13	17.3 Å²	17.3	11%	0.107	11%	0.111	C	C	.	.	H	α-helix	trans	-57.6	-47.8	174	0	0	0	0	0	113	W95 H142 T146 Y147 A148 M186	W95-A144 HydrophobicContact CZ2-CB 3.88Å; W95-A144 VanDerWaalsContact CZ2-O 3.26Å; W95-A144 WeakPolarHBondContact CZ2-O 3.36Å; H142-A144 VanDerWaalsContact C-N 3.33Å; H142-A144 VanDerWaalsContact CE1-CB 3.48Å; H142-A144 WeakPolarHBondContact CE1-CB 3.31Å; H142-A144 WeakPolarHBondContact ND1-CB 3.26Å; H142-A144 PolarHBondContact ND1-N 3.3Å; H142-A144 VanDerWaalsContact ND1-N 3.16Å; H142-A144 PolarHBondContact O-N 3.45Å; A144-T146 VanDerWaalsContact C-N 3.33Å; A144-Y147 PolarHBondContact O-N 2.92Å; A144-A148 PolarHBondContact O-N 3.33Å; A144-M186 HydrophobicContact CB-CE 3.66Å
145	T	98.7	Very high	98.4	Very high	5 Å²	5	17.8 Å²	17.8	3%	0.031	11%	0.113	C	C	.	.	H	α-helix	trans	-75	-26.5	-179.9	50.8	0	0	0	0	112	S94 F133 G134 H142 L143 A148 S149	S94-T145 WeakPolarHBondContact OG-CB 3.39Å; S94-T145 WeakPolarHBondContact OG-CG2 3.21Å; F133-T145 PolarHBondContact O-OG1 3.36Å; G134-T145 WeakPolarHBondContact O-CB 3.35Å; H142-T145 WeakPolarHBondContact CB-OG1 3.08Å; H142-T145 PolarHBondContact O-N 3.04Å; H142-T145 PolarHBondContact O-OG1 3.24Å; L143-T145 PolarHBondContact O-N 3.45Å; T145-A148 PolarHBondContact O-N 3.28Å; T145-S149 VanDerWaalsContact O-CB 3.28Å; T145-S149 WeakPolarHBondContact O-CB 3.28Å; T145-S149 PolarHBondContact O-N 3.47Å; T145-S149 PolarHBondContact O-OG 3.02Å
146	T	98.9	Very high	98.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.5	-50.4	169.8	-59.6	0	0	0	0	110.7	F133 H142 L143 A144 A148 S149 I150 L170	F133-T146 HydrophobicContact CD2-CG2 4.27Å; F133-T146 PolarHBondContact N-OG1 3.43Å; F133-T146 PolarHBondContact O-OG1 3.05Å; H142-T146 WeakPolarHBondContact O-CB 3.37Å; H142-T146 PolarHBondContact O-N 3.33Å; H142-T146 PolarHBondContact O-OG1 2.95Å; L143-T146 WeakPolarHBondContact O-CB 3.1Å; L143-T146 PolarHBondContact O-N 2.97Å; A144-T146 VanDerWaalsContact C-N 3.33Å; T146-A148 PolarHBondContact O-N 3.42Å; T146-S149 PolarHBondContact O-N 2.98Å; T146-I150 HydrophobicContact CG2-CD1 3.85Å; T146-I150 WeakPolarHBondContact O-CB 3.48Å; T146-I150 VanDerWaalsContact O-CG1 3.28Å; T146-I150 WeakPolarHBondContact O-CG1 3.31Å; T146-I150 PolarHBondContact O-N 3.48Å; T146-L170 HydrophobicContact CG2-CD1 3.66Å
147	Y	98.9	Very high	98.4	Very high	3 Å²	3	19.1 Å²	19.1	1%	0.012	12%	0.124	C	C	.	.	H	α-helix	trans	-54.4	-53.1	171	168	-88.2	0	0	0	111.1	W95 L143 A144 S149 I150 M151 Y198 A202 Y438	W95-Y147 AromaticContact CH2-CD1 3.6Å; W95-Y147 HydrophobicContact CH2-CD1 3.6Å; W95-Y147 AromaticContact CH2-CE1 3.85Å; W95-Y147 HydrophobicContact CH2-CE1 3.85Å; W95-Y147 HydrophobicContact CZ2-CD1 4.25Å; W95-Y147 HydrophobicContact CZ3-CD1 4.18Å; W95-Y147 HydrophobicContact CZ3-CE1 4.16Å; L143-Y147 PolarHBondContact O-N 3.18Å; A144-Y147 PolarHBondContact O-N 2.92Å; Y147-S149 VanDerWaalsContact C-N 3.31Å; Y147-S149 PolarHBondContact O-N 3.1Å; Y147-I150 PolarHBondContact O-N 3.41Å; Y147-M151 HydrophobicContact CD1-CG 4.3Å; Y147-M151 HydrophobicContact CD2-CE 4.06Å; Y147-M151 HydrophobicContact CD2-CG 4.03Å; Y147-M151 HydrophobicContact CE1-CG 3.93Å; Y147-M151 HydrophobicContact CE2-CE 3.97Å; Y147-M151 HydrophobicContact CE2-CG 3.67Å; Y147-M151 HydrophobicContact CE2-SD 4.27Å; Y147-M151 HydrophobicContact CG-CG 4.33Å; Y147-M151 WeakPolarHBondContact O-CB 3.42Å; Y147-M151 VanDerWaalsContact O-CG 3.31Å; Y147-M151 WeakPolarHBondContact O-CG 3.44Å; Y147-M151 PolarHBondContact O-N 3.33Å; Y147-Y198 HydrophobicContact CD2-CE1 4.36Å; Y147-Y198 AromaticContact CE2-CE1 3.97Å; Y147-Y198 HydrophobicContact CE2-CE1 3.97Å; Y147-Y198 AromaticContact CE2-CZ 3.9Å; Y147-Y198 WeakPolarHBondContact CE2-OH 3.37Å; Y147-Y198 PolarHBondContact OH-OH 3.08Å; Y147-A202 HydrophobicContact CD2-CB 3.87Å; Y147-A202 HydrophobicContact CE2-CB 3.99Å; Y147-Y438 PolarHBondContact OH-O 2.73Å
148	A	98.9	Very high	98.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59.1	-42.7	-177.4	0	0	0	0	0	112.3	W95 A144 T145 T146 A152	W95-A148 HydrophobicContact CD2-CB 3.52Å; W95-A148 HydrophobicContact CE3-CB 3.62Å; W95-A148 HydrophobicContact CG-CB 3.94Å; W95-A148 HydrophobicContact CH2-CB 4.31Å; W95-A148 HydrophobicContact CZ2-CB 4.21Å; W95-A148 HydrophobicContact CZ3-CB 4.02Å; A144-A148 PolarHBondContact O-N 3.33Å; T145-A148 PolarHBondContact O-N 3.28Å; T146-A148 PolarHBondContact O-N 3.42Å; A148-A152 VanDerWaalsContact O-CB 3.22Å; A148-A152 WeakPolarHBondContact O-CB 3.26Å; A148-A152 PolarHBondContact O-N 3.29Å
149	S	98.9	Very high	98.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-67.5	-43.8	-179.7	-56.6	0	0	0	0	111.6	S94 F133 T145 T146 Y147 A152 L153	S94-S149 VanDerWaalsContact CB-OG 3.3Å; S94-S149 WeakPolarHBondContact CB-OG 3.26Å; F133-S149 VanDerWaalsContact CB-OG 3.29Å; F133-S149 WeakPolarHBondContact CB-OG 3.22Å; F133-S149 VanDerWaalsContact CD1-CB 3.5Å; F133-S149 VanDerWaalsContact CG-CB 3.41Å; T145-S149 VanDerWaalsContact O-CB 3.28Å; T145-S149 WeakPolarHBondContact O-CB 3.28Å; T145-S149 PolarHBondContact O-N 3.47Å; T145-S149 PolarHBondContact O-OG 3.02Å; T146-S149 PolarHBondContact O-N 2.98Å; Y147-S149 VanDerWaalsContact C-N 3.31Å; Y147-S149 PolarHBondContact O-N 3.1Å; S149-A152 PolarHBondContact O-N 3.39Å; S149-L153 VanDerWaalsContact O-CG 3.26Å; S149-L153 WeakPolarHBondContact O-CG 3.35Å; S149-L153 PolarHBondContact O-N 3.5Å
150	I	98.9	Very high	98.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62.8	-48.8	176.5	-68.5	168.4	0	0	0	110.1	F133 T146 Y147 A152 L153 C154 I165 L170 A203 I206 T207	F133-I150 HydrophobicContact CE2-CG1 4.23Å; T146-I150 HydrophobicContact CG2-CD1 3.85Å; T146-I150 WeakPolarHBondContact O-CB 3.48Å; T146-I150 VanDerWaalsContact O-CG1 3.28Å; T146-I150 WeakPolarHBondContact O-CG1 3.31Å; T146-I150 PolarHBondContact O-N 3.48Å; Y147-I150 PolarHBondContact O-N 3.41Å; I150-A152 VanDerWaalsContact C-N 3.32Å; I150-A152 PolarHBondContact O-N 2.99Å; I150-L153 PolarHBondContact O-N 3.4Å; I150-C154 PolarHBondContact O-N 3.26Å; I150-C154 PolarHBondContact O-SG 3.07Å; I150-I165 HydrophobicContact CB-CD1 4.46Å; I150-I165 HydrophobicContact CG1-CD1 4.15Å; I150-I165 HydrophobicContact CG1-CG1 4.44Å; I150-I165 HydrophobicContact CG2-CD1 4.16Å; I150-L170 HydrophobicContact CD1-CD1 4.3Å; I150-L170 HydrophobicContact CD1-CD2 3.73Å; I150-A203 HydrophobicContact CD1-CB 3.59Å; I150-I206 HydrophobicContact CG2-CG2 3.66Å; I150-T207 HydrophobicContact CD1-CG2 4.37Å; I150-T207 HydrophobicContact CG2-CG2 4.12Å
151	M	98.9	Very high	98.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-63.5	-37.7	178.9	-64	-53.3	136	0	0	112.1	Y98 Y147 C154 V155 I206 Y438 I440	Y98-M151 HydrophobicContact CD2-CB 3.72Å; Y98-M151 HydrophobicContact CE2-CB 3.55Å; Y147-M151 HydrophobicContact CD1-CG 4.3Å; Y147-M151 HydrophobicContact CD2-CE 4.06Å; Y147-M151 HydrophobicContact CD2-CG 4.03Å; Y147-M151 HydrophobicContact CE1-CG 3.93Å; Y147-M151 HydrophobicContact CE2-CE 3.97Å; Y147-M151 HydrophobicContact CE2-CG 3.67Å; Y147-M151 HydrophobicContact CE2-SD 4.27Å; Y147-M151 HydrophobicContact CG-CG 4.33Å; Y147-M151 WeakPolarHBondContact O-CB 3.42Å; Y147-M151 VanDerWaalsContact O-CG 3.31Å; Y147-M151 WeakPolarHBondContact O-CG 3.44Å; Y147-M151 PolarHBondContact O-N 3.33Å; M151-C154 WeakPolarHBondContact O-CB 3.33Å; M151-C154 PolarHBondContact O-N 3.43Å; M151-V155 WeakPolarHBondContact O-CG2 3.4Å; M151-V155 PolarHBondContact O-N 3.13Å; M151-I206 HydrophobicContact CE-CB 4.41Å; M151-I206 HydrophobicContact CE-CD1 3.89Å; M151-I206 HydrophobicContact CE-CG2 3.82Å; M151-I206 HydrophobicContact SD-CD1 3.95Å; M151-Y438 HydrophobicContact CE-CD1 3.91Å; M151-Y438 HydrophobicContact SD-CD1 4.4Å; M151-I440 HydrophobicContact CB-CG2 3.95Å; M151-I440 HydrophobicContact CG-CG2 4.38Å; M151-I440 HydrophobicContact SD-CD1 4.19Å; M151-I440 HydrophobicContact SD-CG2 4.07Å
152	A	98.9	Very high	98.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-60.9	-46	173.4	0	0	0	0	0	112	T97 L101 L123 A148 S149 I150 C154 V155 I156	T97-A152 HydrophobicContact CG2-CB 4.43Å; L101-A152 HydrophobicContact CD1-CB 4.24Å; L123-A152 HydrophobicContact CD1-CB 3.66Å; A148-A152 VanDerWaalsContact O-CB 3.22Å; A148-A152 WeakPolarHBondContact O-CB 3.26Å; A148-A152 PolarHBondContact O-N 3.29Å; S149-A152 PolarHBondContact O-N 3.39Å; I150-A152 VanDerWaalsContact C-N 3.32Å; I150-A152 PolarHBondContact O-N 2.99Å; A152-C154 VanDerWaalsContact C-N 3.3Å; A152-C154 PolarHBondContact O-N 2.9Å; A152-V155 PolarHBondContact O-N 3.48Å; A152-I156 WeakPolarHBondContact O-CG1 3.5Å; A152-I156 PolarHBondContact O-N 3.26Å
153	L	98.9	Very high	98.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63.5	-37.7	175.8	-66.7	167.7	0	0	0	111.3	I120 L123 F133 S149 I150 I156 G157 A161 V164 I165	I120-L153 HydrophobicContact CG1-CD2 4.38Å; L123-L153 HydrophobicContact CB-CD2 4.28Å; L123-L153 HydrophobicContact CD1-CD2 3.82Å; L123-L153 HydrophobicContact CD1-CG 3.87Å; F133-L153 HydrophobicContact CE1-CD1 4.45Å; F133-L153 HydrophobicContact CZ-CD1 4.21Å; S149-L153 VanDerWaalsContact O-CG 3.26Å; S149-L153 WeakPolarHBondContact O-CG 3.35Å; S149-L153 PolarHBondContact O-N 3.5Å; I150-L153 PolarHBondContact O-N 3.4Å; L153-I156 PolarHBondContact O-N 2.89Å; L153-G157 PolarHBondContact O-N 3.3Å; L153-A161 HydrophobicContact CB-CB 4.29Å; L153-A161 HydrophobicContact CD2-CB 4.01Å; L153-A161 WeakPolarHBondContact O-CB 3.48Å; L153-V164 HydrophobicContact CD1-CB 4.09Å; L153-V164 HydrophobicContact CD1-CG1 3.97Å; L153-V164 HydrophobicContact CD2-CB 4.32Å; L153-I165 HydrophobicContact CB-CD1 4.39Å; L153-I165 HydrophobicContact CD1-CD1 3.97Å; L153-I165 HydrophobicContact CD1-CG1 3.59Å
154	C	98.8	Very high	98.7	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.6	-43.1	173.4	-68.3	0	0	0	0	112.9	I150 M151 A152 I156 G157 I206 I440 A448	I150-C154 PolarHBondContact O-N 3.26Å; I150-C154 PolarHBondContact O-SG 3.07Å; M151-C154 WeakPolarHBondContact O-CB 3.33Å; M151-C154 PolarHBondContact O-N 3.43Å; A152-C154 VanDerWaalsContact C-N 3.3Å; A152-C154 PolarHBondContact O-N 2.9Å; C154-I156 VanDerWaalsContact C-N 3.34Å; C154-I156 PolarHBondContact O-N 2.85Å; C154-G157 VanDerWaalsContact O-CA 3.29Å; C154-G157 WeakPolarHBondContact O-CA 3.48Å; C154-G157 PolarHBondContact O-N 2.82Å; C154-G157 VanDerWaalsContact O-N 3.14Å; C154-I206 HydrophobicContact CB-CD1 4.45Å; C154-I440 HydrophobicContact CB-CD1 3.85Å; C154-A448 HydrophobicContact CB-CB 4.19Å; C154-A448 VanDerWaalsContact SG-CB 3.6Å
155	V	98.8	Very high	98.7	Very high	9 Å²	9	21.8 Å²	21.8	6%	0.055	11%	0.112	C	C	.	.	H	α-helix	trans	-63.2	-39.7	175.9	169.4	0	0	0	0	111.5	L101 H102 D105 M151 A152 G157 I440 K444	L101-V155 HydrophobicContact CB-CG1 3.98Å; H102-V155 HydrophobicContact CB-CG2 4.3Å; D105-V155 HydrophobicContact CB-CG1 3.82Å; M151-V155 WeakPolarHBondContact O-CG2 3.4Å; M151-V155 PolarHBondContact O-N 3.13Å; A152-V155 PolarHBondContact O-N 3.48Å; V155-G157 VanDerWaalsContact C-N 3.29Å; V155-G157 PolarHBondContact O-N 3.46Å; V155-I440 HydrophobicContact CG2-CB 4.09Å; V155-I440 HydrophobicContact CG2-CG2 3.59Å; V155-K444 VanDerWaalsContact O-CD 3.28Å; V155-K444 WeakPolarHBondContact O-CD 3.28Å; V155-K444 WeakPolarHBondContact O-CE 3.47Å; V155-K444 PolarHBondContact O-NZ 2.81Å
156	I	98.7	Very high	98.6	Very high	11 Å²	11	24.1 Å²	24.1	6%	0.056	12%	0.124	C	C	.	.	H	α-helix	trans	-59.4	-46.5	173.1	-64.3	172.6	0	0	0	109.6	L101 L111 A116 A119 I120 A152 L153 C154 T158 A161 K444	L101-I156 HydrophobicContact CD1-CD1 3.91Å; L101-I156 HydrophobicContact CD1-CG1 3.83Å; L111-I156 HydrophobicContact CD2-CG1 4.18Å; A116-I156 HydrophobicContact CB-CG2 4.12Å; A119-I156 HydrophobicContact CB-CD1 3.88Å; I120-I156 HydrophobicContact CD1-CG2 4.01Å; I120-I156 HydrophobicContact CG1-CD1 3.73Å; I120-I156 HydrophobicContact CG1-CG2 4.22Å; A152-I156 WeakPolarHBondContact O-CG1 3.5Å; A152-I156 PolarHBondContact O-N 3.26Å; L153-I156 PolarHBondContact O-N 2.89Å; C154-I156 VanDerWaalsContact C-N 3.34Å; C154-I156 PolarHBondContact O-N 2.85Å; I156-T158 HydrophobicContact CG2-CG2 4.16Å; I156-T158 PolarHBondContact O-N 3.14Å; I156-A161 HydrophobicContact CB-CB 3.95Å; I156-A161 HydrophobicContact CG2-CB 3.81Å; I156-K444 PolarHBondContact O-NZ 2.79Å
157	G	98.1	Very high	98.6	Very high	20 Å²	20	26.3 Å²	26.3	21%	0.206	13%	0.133	C	C	.	.			trans	70.4	31.4	165.4	0	0	0	0	0	114.5	L153 C154 V155 Y162	L153-G157 PolarHBondContact O-N 3.3Å; C154-G157 VanDerWaalsContact O-CA 3.29Å; C154-G157 WeakPolarHBondContact O-CA 3.48Å; C154-G157 PolarHBondContact O-N 2.82Å; C154-G157 VanDerWaalsContact O-N 3.14Å; V155-G157 VanDerWaalsContact C-N 3.29Å; V155-G157 PolarHBondContact O-N 3.46Å; G157-Y162 VanDerWaalsContact CA-OH 3.3Å; G157-Y162 WeakPolarHBondContact CA-OH 3.19Å
158	T	98.1	Very high	98.5	Very high	60 Å²	60	33.4 Å²	33.4	37%	0.368	17%	0.166	S	C	.	.	S	Bend	trans	-112	155	174.7	66.3	0	0	0	0	110.4	I156 K160 A161 Y162	I156-T158 HydrophobicContact CG2-CG2 4.16Å; I156-T158 PolarHBondContact O-N 3.14Å; T158-K160 PolarHBondContact O-N 2.58Å; T158-A161 WeakPolarHBondContact O-CB 3.42Å; T158-A161 PolarHBondContact O-N 2.63Å; T158-A161 PolarHBondContact OG1-N 3.05Å; T158-Y162 WeakPolarHBondContact O-CD2 3.3Å; T158-Y162 PolarHBondContact O-N 3.44Å
159	K	98.1	Very high	98.5	Very high	132 Å²	132	37.2 Å²	37.2	57%	0.574	18%	0.183	S	C	*	.	H	α-helix	trans	-51.3	-43.8	173.8	-179.7	177.1	-173.2	-62.2	0	111.8	A161 Y162 D163 Y451	K159-A161 VanDerWaalsContact C-N 3.3Å; K159-A161 PolarHBondContact O-N 2.95Å; K159-Y162 PolarHBondContact O-N 3.32Å; K159-D163 WeakPolarHBondContact CG-OD2 3.46Å; K159-D163 IonicContact NZ-OD1 3.79Å; K159-D163 IonicContact NZ-OD2 2.65Å; K159-D163 PolarHBondContact NZ-OD2 3.46Å; K159-D163 WeakPolarHBondContact O-CB 3.43Å; K159-D163 VanDerWaalsContact O-CG 3.27Å; K159-D163 PolarHBondContact O-N 3.5Å; K159-Y451 HydrophobicContact CB-CE2 4.48Å; K159-Y451 HydrophobicContact CG-CE2 3.97Å
160	K	98.5	Very high	98.5	Very high	104 Å²	104	37.3 Å²	37.3	45%	0.452	18%	0.183	S	C	.	.	H	α-helix	trans	-59	-39.8	177.3	-172.9	-176.4	173.9	-179.7	0	112.2	N117 I120 T158	N117-K160 PolarHBondContact OD1-NZ 3.12Å; I120-K160 HydrophobicContact CD1-CB 4.26Å; I120-K160 HydrophobicContact CD1-CD 4.14Å; I120-K160 HydrophobicContact CD1-CG 4.15Å; I120-K160 HydrophobicContact CG2-CG 4.22Å; T158-K160 PolarHBondContact O-N 2.58Å
161	A	98.8	Very high	98.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-68.4	-44.9	176.5	0	0	0	0	0	111.7	I120 L153 I156 T158 K159 D163 V164	I120-A161 HydrophobicContact CD1-CB 3.87Å; I120-A161 HydrophobicContact CG1-CB 3.85Å; L153-A161 HydrophobicContact CB-CB 4.29Å; L153-A161 HydrophobicContact CD2-CB 4.01Å; L153-A161 WeakPolarHBondContact O-CB 3.48Å; I156-A161 HydrophobicContact CB-CB 3.95Å; I156-A161 HydrophobicContact CG2-CB 3.81Å; T158-A161 WeakPolarHBondContact O-CB 3.42Å; T158-A161 PolarHBondContact O-N 2.63Å; T158-A161 PolarHBondContact OG1-N 3.05Å; K159-A161 VanDerWaalsContact C-N 3.3Å; K159-A161 PolarHBondContact O-N 2.95Å; A161-D163 VanDerWaalsContact C-N 3.34Å; A161-D163 PolarHBondContact O-N 2.86Å; A161-V164 WeakPolarHBondContact O-CB 3.4Å; A161-V164 PolarHBondContact O-N 2.95Å
162	Y	98.7	Very high	98.4	Very high	9 Å²	9	42.7 Å²	42.7	4%	0.035	21%	0.212	C	C	.	.	H	α-helix	trans	-63.9	-39.1	178.9	-56.3	-41.4	0	0	0	112.7	G157 T158 K159 V164 I165 D447 A448 Y451 F452	G157-Y162 VanDerWaalsContact CA-OH 3.3Å; G157-Y162 WeakPolarHBondContact CA-OH 3.19Å; T158-Y162 WeakPolarHBondContact O-CD2 3.3Å; T158-Y162 PolarHBondContact O-N 3.44Å; K159-Y162 PolarHBondContact O-N 3.32Å; Y162-V164 PolarHBondContact O-N 2.84Å; Y162-I165 PolarHBondContact O-N 3.36Å; Y162-I165 VanDerWaalsContact O-N 3.15Å; Y162-D447 WeakPolarHBondContact OH-CB 3.41Å; Y162-A448 HydrophobicContact CE1-CB 3.88Å; Y162-A448 PolarHBondContact OH-N 3.2Å; Y162-Y451 AromaticContact CD2-CD1 3.67Å; Y162-Y451 HydrophobicContact CD2-CD1 3.67Å; Y162-Y451 AromaticContact CD2-CD2 3.66Å; Y162-Y451 HydrophobicContact CD2-CD2 3.66Å; Y162-Y451 HydrophobicContact CD2-CE1 4.2Å; Y162-Y451 HydrophobicContact CD2-CE2 4.2Å; Y162-Y451 AromaticContact CD2-CG 3.37Å; Y162-Y451 HydrophobicContact CD2-CG 3.37Å; Y162-Y451 HydrophobicContact CE2-CD2 4.31Å; Y162-Y451 HydrophobicContact CE2-CG 4.03Å; Y162-Y451 AromaticContact CG-CD1 3.73Å; Y162-Y451 HydrophobicContact CG-CD1 3.73Å; Y162-Y451 HydrophobicContact CG-CE1 4.15Å; Y162-Y451 AromaticContact CG-CG 3.93Å; Y162-Y451 HydrophobicContact CG-CG 3.93Å; Y162-F452 HydrophobicContact CD1-CE2 4.17Å; Y162-F452 HydrophobicContact CD1-CZ 4.18Å; Y162-F452 HydrophobicContact CG-CZ 4.34Å
163	D	98.4	Very high	98.4	Very high	79 Å²	79	42.7 Å²	42.7	42%	0.422	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-14.6	179.3	-76.1	-23	0	0	0	114.3	K159 A161 I165 Y451	K159-D163 WeakPolarHBondContact CG-OD2 3.46Å; K159-D163 IonicContact NZ-OD1 3.79Å; K159-D163 IonicContact NZ-OD2 2.65Å; K159-D163 PolarHBondContact NZ-OD2 3.46Å; K159-D163 WeakPolarHBondContact O-CB 3.43Å; K159-D163 VanDerWaalsContact O-CG 3.27Å; K159-D163 PolarHBondContact O-N 3.5Å; A161-D163 VanDerWaalsContact C-N 3.34Å; A161-D163 PolarHBondContact O-N 2.86Å; D163-I165 PolarHBondContact O-N 3.43Å; D163-Y451 PolarHBondContact OD1-OH 3.39Å
164	V	98.3	Very high	98.4	Very high	16 Å²	16	42.7 Å²	42.7	10%	0.097	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-29.1	172.9	167.7	0	0	0	0	111.4	I120 R124 Q127 F133 L153 A161 Y162 D166	I120-V164 HydrophobicContact CG2-CG2 3.55Å; R124-V164 HydrophobicContact CB-CG1 3.92Å; R124-V164 HydrophobicContact CB-CG2 4.25Å; R124-V164 HydrophobicContact CG-CG1 4.27Å; Q127-V164 PolarHBondContact NE2-O 2.87Å; Q127-V164 PolarHBondContact OE1-O 3.2Å; F133-V164 HydrophobicContact CE1-CG1 4.3Å; F133-V164 HydrophobicContact CZ-CG1 4.45Å; L153-V164 HydrophobicContact CD1-CB 4.09Å; L153-V164 HydrophobicContact CD1-CG1 3.97Å; L153-V164 HydrophobicContact CD2-CB 4.32Å; A161-V164 WeakPolarHBondContact O-CB 3.4Å; A161-V164 PolarHBondContact O-N 2.95Å; Y162-V164 PolarHBondContact O-N 2.84Å; V164-D166 PolarHBondContact O-N 2.85Å
165	I	98.6	Very high	98.3	Very high	10 Å²	10	48.5 Å²	48.5	5%	0.051	23%	0.234	C	C	.	.			trans	-76	107.8	-173.8	-62	163.3	0	0	0	109.6	F133 I150 L153 Y162 D163 R167 L170 T207 F452	F133-I165 HydrophobicContact CZ-CG1 4.3Å; I150-I165 HydrophobicContact CB-CD1 4.46Å; I150-I165 HydrophobicContact CG1-CD1 4.15Å; I150-I165 HydrophobicContact CG1-CG1 4.44Å; I150-I165 HydrophobicContact CG2-CD1 4.16Å; L153-I165 HydrophobicContact CB-CD1 4.39Å; L153-I165 HydrophobicContact CD1-CD1 3.97Å; L153-I165 HydrophobicContact CD1-CG1 3.59Å; Y162-I165 PolarHBondContact O-N 3.36Å; Y162-I165 VanDerWaalsContact O-N 3.15Å; D163-I165 PolarHBondContact O-N 3.43Å; I165-R167 HydrophobicContact CG2-CG 4.25Å; I165-R167 PolarHBondContact O-N 3.13Å; I165-L170 HydrophobicContact CG2-CD2 3.93Å; I165-T207 HydrophobicContact CD1-CG2 4.44Å; I165-T207 HydrophobicContact CG2-CG2 4.22Å; I165-F452 HydrophobicContact CD1-CE2 4.48Å; I165-F452 HydrophobicContact CD1-CZ 3.76Å
166	D	98.3	Very high	98.3	Very high	53 Å²	53	52.2 Å²	52.2	28%	0.283	25%	0.247	S	C	.	.			trans	-73.3	91.6	171	-173	-27	0	0	0	108.9	V164 E168 K169 L170	V164-D166 PolarHBondContact O-N 2.85Å; D166-E168 VanDerWaalsContact C-N 3.33Å; D166-E168 PolarHBondContact O-N 3.26Å; D166-E168 PolarHBondContact OD1-N 3.31Å; D166-K169 HydrophobicContact CB-CB 4.41Å; D166-K169 PolarHBondContact OD1-N 2.93Å; D166-K169 VanDerWaalsContact OD1-N 3.12Å; D166-K169 WeakPolarHBondContact OD2-CD 3.4Å; D166-K169 VanDerWaalsContact OD2-CE 3.26Å; D166-K169 WeakPolarHBondContact OD2-CE 3.25Å; D166-K169 WeakPolarHBondContact OD2-CG 3.46Å; D166-K169 IonicContact OD2-NZ 2.81Å; D166-L170 WeakPolarHBondContact O-CB 3.3Å; D166-L170 PolarHBondContact O-N 3.28Å
167	R	97.8	Very high	98.3	Very high	47 Å²	47	51.7 Å²	51.7	18%	0.177	24%	0.244	C	C	.	.	H	α-helix	trans	-64	-35.1	-173.6	-72.5	-180	73.8	-126.6	6	113.1	I165 L171 T207 K208 L209 N456	I165-R167 HydrophobicContact CG2-CG 4.25Å; I165-R167 PolarHBondContact O-N 3.13Å; R167-L171 PolarHBondContact O-N 3.26Å; R167-T207 VanDerWaalsContact CZ-O 3.28Å; R167-T207 PolarHBondContact NE-O 2.84Å; R167-T207 PolarHBondContact NH2-O 3.25Å; R167-K208 PolarHBondContact NH2-O 2.92Å; R167-K208 VanDerWaalsContact NH2-O 3.11Å; R167-L209 HydrophobicContact CB-CD1 4.18Å; R167-L209 HydrophobicContact CB-CD2 4.2Å; R167-L209 WeakPolarHBondContact O-CD1 3.4Å; R167-N456 PolarHBondContact NH2-OD1 3.06Å
168	E	97.2	Very high	98.3	Very high	151 Å²	151	52.7 Å²	52.7	71%	0.706	24%	0.243	S	C	*	.	H	α-helix	trans	-67.1	-52.8	179.9	-175.1	178.9	172.7	0	0	110	D166 L170 L171 D172	D166-E168 VanDerWaalsContact C-N 3.33Å; D166-E168 PolarHBondContact O-N 3.26Å; D166-E168 PolarHBondContact OD1-N 3.31Å; E168-L170 VanDerWaalsContact C-N 3.29Å; E168-L170 PolarHBondContact O-N 3.42Å; E168-L171 WeakPolarHBondContact O-CB 3.31Å; E168-L171 PolarHBondContact O-N 2.97Å; E168-L171 VanDerWaalsContact O-N 3.13Å; E168-D172 PolarHBondContact O-N 3.14Å; E168-D172 VanDerWaalsContact O-N 3.13Å
169	K	98.3	Very high	98.3	Very high	81 Å²	81	51.5 Å²	51.5	35%	0.352	23%	0.234	S	C	.	.	H	α-helix	trans	-67.4	-31.8	177.7	-64.1	-173.5	-169.5	165.4	0	112.7	P129 G131 D166 L171 D172 Y173	P129-K169 WeakPolarHBondContact O-CD 3.36Å; G131-K169 WeakPolarHBondContact CA-O 3.48Å; D166-K169 HydrophobicContact CB-CB 4.41Å; D166-K169 PolarHBondContact OD1-N 2.93Å; D166-K169 VanDerWaalsContact OD1-N 3.12Å; D166-K169 WeakPolarHBondContact OD2-CD 3.4Å; D166-K169 VanDerWaalsContact OD2-CE 3.26Å; D166-K169 WeakPolarHBondContact OD2-CE 3.25Å; D166-K169 WeakPolarHBondContact OD2-CG 3.46Å; D166-K169 IonicContact OD2-NZ 2.81Å; K169-L171 VanDerWaalsContact C-N 3.32Å; K169-D172 PolarHBondContact O-N 3.45Å; K169-Y173 WeakPolarHBondContact O-CB 3.48Å; K169-Y173 PolarHBondContact O-N 2.7Å
170	L	98.6	Very high	98.3	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-58.7	-46.4	172.4	178	59.1	0	0	0	110.4	T146 I150 I165 D166 E168 D172 Y173 L174 T207 L209	T146-L170 HydrophobicContact CG2-CD1 3.66Å; I150-L170 HydrophobicContact CD1-CD1 4.3Å; I150-L170 HydrophobicContact CD1-CD2 3.73Å; I165-L170 HydrophobicContact CG2-CD2 3.93Å; D166-L170 WeakPolarHBondContact O-CB 3.3Å; D166-L170 PolarHBondContact O-N 3.28Å; E168-L170 VanDerWaalsContact C-N 3.29Å; E168-L170 PolarHBondContact O-N 3.42Å; L170-D172 PolarHBondContact O-N 2.91Å; L170-Y173 WeakPolarHBondContact O-CB 3.48Å; L170-Y173 PolarHBondContact O-N 3.16Å; L170-L174 HydrophobicContact CD1-CD1 4.42Å; L170-L174 HydrophobicContact CD1-CD2 4.47Å; L170-L174 HydrophobicContact CD1-CG 4.2Å; L170-L174 HydrophobicContact CG-CD1 4.29Å; L170-L174 HydrophobicContact CG-CG 4.48Å; L170-L174 VanDerWaalsContact O-CG 3.26Å; L170-L174 WeakPolarHBondContact O-CG 3.31Å; L170-L174 PolarHBondContact O-N 3.49Å; L170-T207 HydrophobicContact CD2-CG2 4.06Å; L170-L209 HydrophobicContact CB-CD1 4.05Å; L170-L209 HydrophobicContact CD2-CD1 3.78Å; L170-L209 HydrophobicContact CG-CD1 3.9Å
171	L	98.2	Very high	98.2	Very high	29 Å²	29	51.3 Å²	51.3	15%	0.152	24%	0.244	C	C	.	.	H	α-helix	trans	-61.1	-43.9	177.2	-178.6	57.9	0	0	0	112.1	R167 E168 K169 Y173 L174 R175 L209 L214	R167-L171 PolarHBondContact O-N 3.26Å; E168-L171 WeakPolarHBondContact O-CB 3.31Å; E168-L171 PolarHBondContact O-N 2.97Å; E168-L171 VanDerWaalsContact O-N 3.13Å; K169-L171 VanDerWaalsContact C-N 3.32Å; L171-Y173 VanDerWaalsContact C-N 3.33Å; L171-Y173 PolarHBondContact O-N 2.68Å; L171-L174 PolarHBondContact O-N 2.86Å; L171-R175 HydrophobicContact CD1-CG 4.47Å; L171-R175 WeakPolarHBondContact O-CG 3.48Å; L171-R175 PolarHBondContact O-N 3.02Å; L171-L209 HydrophobicContact CB-CD1 4.29Å; L171-L209 HydrophobicContact CB-CD2 4.33Å; L171-L214 HydrophobicContact CD1-CD2 4.13Å
172	D	97.9	Very high	98.2	Very high	85 Å²	85	51.3 Å²	51.3	46%	0.455	24%	0.244	S	C	.	.	H	α-helix	trans	-60.8	-42.1	175.9	-73.3	-19.4	0	0	0	112.3	E168 K169 L170 R175 R176	E168-D172 PolarHBondContact O-N 3.14Å; E168-D172 VanDerWaalsContact O-N 3.13Å; K169-D172 PolarHBondContact O-N 3.45Å; L170-D172 PolarHBondContact O-N 2.91Å; D172-R175 PolarHBondContact O-N 3.22Å; D172-R176 WeakPolarHBondContact O-CB 3.23Å; D172-R176 PolarHBondContact O-N 2.62Å
173	Y	98.6	Very high	98.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.4	-47.6	174.9	175.6	-106	0	0	0	111.8	G131 A141 H142 L143 K169 L170 L171 R175 R176 M177 M186	G131-Y173 WeakPolarHBondContact O-CD2 3.49Å; A141-Y173 HydrophobicContact CB-CD2 4.15Å; A141-Y173 HydrophobicContact CB-CE2 3.59Å; A141-Y173 PolarHBondContact O-OH 2.8Å; H142-Y173 VanDerWaalsContact C-OH 3.29Å; H142-Y173 VanDerWaalsContact CA-OH 3.25Å; H142-Y173 WeakPolarHBondContact CA-OH 3.23Å; H142-Y173 PolarHBondContact N-OH 2.94Å; L143-Y173 HydrophobicContact CD2-CD1 4.45Å; L143-Y173 HydrophobicContact CD2-CE1 3.72Å; L143-Y173 HydrophobicContact CG-CE1 4.16Å; L143-Y173 PolarHBondContact N-OH 2.95Å; K169-Y173 WeakPolarHBondContact O-CB 3.48Å; K169-Y173 PolarHBondContact O-N 2.7Å; L170-Y173 WeakPolarHBondContact O-CB 3.48Å; L170-Y173 PolarHBondContact O-N 3.16Å; L171-Y173 VanDerWaalsContact C-N 3.33Å; L171-Y173 PolarHBondContact O-N 2.68Å; Y173-R175 VanDerWaalsContact C-N 3.34Å; Y173-R175 PolarHBondContact O-N 3.43Å; Y173-R176 WeakPolarHBondContact O-CB 3.21Å; Y173-R176 PolarHBondContact O-N 3.01Å; Y173-M177 HydrophobicContact CD1-CG 4.42Å; Y173-M177 HydrophobicContact CD2-CE 4.16Å; Y173-M177 HydrophobicContact CD2-CG 4.35Å; Y173-M177 HydrophobicContact CE1-CG 3.96Å; Y173-M177 HydrophobicContact CE2-CE 3.76Å; Y173-M177 HydrophobicContact CE2-CG 3.88Å; Y173-M177 HydrophobicContact CE2-SD 3.94Å; Y173-M177 WeakPolarHBondContact O-CG 3.48Å; Y173-M177 PolarHBondContact O-N 3.34Å; Y173-M186 PolarHBondContact OH-O 2.93Å; Y173-M186 VanDerWaalsContact OH-O 3.14Å
174	L	98.7	Very high	98.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.6	-43.2	178.8	-66.4	178.5	0	0	0	111.7	L143 L170 L171 R176 M177 K178 A200 A204 L214	L143-L174 HydrophobicContact CD2-CD2 3.68Å; L170-L174 HydrophobicContact CD1-CD1 4.42Å; L170-L174 HydrophobicContact CD1-CD2 4.47Å; L170-L174 HydrophobicContact CD1-CG 4.2Å; L170-L174 HydrophobicContact CG-CD1 4.29Å; L170-L174 HydrophobicContact CG-CG 4.48Å; L170-L174 VanDerWaalsContact O-CG 3.26Å; L170-L174 WeakPolarHBondContact O-CG 3.31Å; L170-L174 PolarHBondContact O-N 3.49Å; L171-L174 PolarHBondContact O-N 2.86Å; L174-R176 VanDerWaalsContact C-N 3.33Å; L174-R176 PolarHBondContact O-N 3.42Å; L174-M177 PolarHBondContact O-N 3.03Å; L174-K178 PolarHBondContact O-N 3.25Å; L174-A200 HydrophobicContact CD2-CB 3.9Å; L174-A204 HydrophobicContact CD1-CB 3.85Å; L174-L214 HydrophobicContact CB-CD1 4.11Å; L174-L214 HydrophobicContact CB-CD2 4.25Å; L174-L214 HydrophobicContact CD1-CD2 4.25Å
175	R	98.2	Very high	98.2	Very high	121 Å²	121	48.9 Å²	48.9	46%	0.457	23%	0.229	S	C	.	.	H	α-helix	trans	-61.2	-40.6	175.6	-73.8	173.7	173.9	166.7	-0.4	112.2	L171 D172 Y173 M177 K178 D211 L214	L171-R175 HydrophobicContact CD1-CG 4.47Å; L171-R175 WeakPolarHBondContact O-CG 3.48Å; L171-R175 PolarHBondContact O-N 3.02Å; D172-R175 PolarHBondContact O-N 3.22Å; Y173-R175 VanDerWaalsContact C-N 3.34Å; Y173-R175 PolarHBondContact O-N 3.43Å; R175-M177 VanDerWaalsContact C-N 3.32Å; R175-M177 PolarHBondContact O-N 3.01Å; R175-K178 WeakPolarHBondContact O-CB 3.33Å; R175-K178 PolarHBondContact O-N 3.34Å; R175-D211 IonicContact NH2-OD2 3.77Å; R175-D211 PolarHBondContact NH2-OD2 3.3Å; R175-D211 VanDerWaalsContact NH2-OD2 3.12Å; R175-L214 HydrophobicContact CG-CD1 3.85Å
176	R	97.8	Very high	98.2	Very high	87 Å²	87	48.5 Å²	48.5	33%	0.328	23%	0.227	S	C	.	.	H	α-helix	trans	-67.3	-30.8	177.9	-177.9	167.9	49.9	127.4	-12.3	113.2	T130 D172 Y173 L174 D188	T130-R176 VanDerWaalsContact CB-NH2 3.28Å; T130-R176 PolarHBondContact O-NH2 2.85Å; T130-R176 PolarHBondContact OG1-NH2 2.98Å; D172-R176 WeakPolarHBondContact O-CB 3.23Å; D172-R176 PolarHBondContact O-N 2.62Å; Y173-R176 WeakPolarHBondContact O-CB 3.21Å; Y173-R176 PolarHBondContact O-N 3.01Å; L174-R176 VanDerWaalsContact C-N 3.33Å; L174-R176 PolarHBondContact O-N 3.42Å; R176-D188 IonicContact CZ-OD1 3.65Å; R176-D188 IonicContact CZ-OD2 3.79Å; R176-D188 IonicContact NE-OD1 2.66Å; R176-D188 IonicContact NH1-OD1 3.12Å; R176-D188 PolarHBondContact NH1-OD1 3.38Å; R176-D188 IonicContact NH1-OD2 3.84Å; R176-D188 PolarHBondContact NH1-OD2 2.9Å
177	M	98.6	Very high	98.2	Very high	0 Å²	0	48 Å²	48	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-77.5	-24.9	178.3	-68.7	-50.7	102.7	0	0	113.1	L143 Y173 L174 R175 F184 K185 H187 D188	L143-M177 HydrophobicContact CD1-CB 4.09Å; L143-M177 HydrophobicContact CD1-CG 4.24Å; L143-M177 HydrophobicContact CD2-CG 4.35Å; L143-M177 HydrophobicContact CG-CB 4.48Å; L143-M177 HydrophobicContact CG-CG 4.13Å; Y173-M177 HydrophobicContact CD1-CG 4.42Å; Y173-M177 HydrophobicContact CD2-CE 4.16Å; Y173-M177 HydrophobicContact CD2-CG 4.35Å; Y173-M177 HydrophobicContact CE1-CG 3.96Å; Y173-M177 HydrophobicContact CE2-CE 3.76Å; Y173-M177 HydrophobicContact CE2-CG 3.88Å; Y173-M177 HydrophobicContact CE2-SD 3.94Å; Y173-M177 WeakPolarHBondContact O-CG 3.48Å; Y173-M177 PolarHBondContact O-N 3.34Å; L174-M177 PolarHBondContact O-N 3.03Å; R175-M177 VanDerWaalsContact C-N 3.32Å; R175-M177 PolarHBondContact O-N 3.01Å; M177-F184 HydrophobicContact CB-CD1 4.11Å; M177-F184 WeakPolarHBondContact O-CA 3.29Å; M177-K185 WeakPolarHBondContact CB-O 3.46Å; M177-K185 WeakPolarHBondContact O-CE 3.43Å; M177-K185 PolarHBondContact O-N 3.15Å; M177-K185 HydrophobicContact SD-CB 4.4Å; M177-H187 WeakPolarHBondContact SD-CA 3.31Å; M177-D188 WeakPolarHBondContact CE-OD1 3.34Å
178	K	98.4	Very high	98.2	Very high	41 Å²	41	47.7 Å²	47.7	18%	0.178	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-65	136.6	177.2	-165.2	-166.3	-170.5	-69	0	111.2	L174 R175 F184 L214 D216	L174-K178 PolarHBondContact O-N 3.25Å; R175-K178 WeakPolarHBondContact O-CB 3.33Å; R175-K178 PolarHBondContact O-N 3.34Å; K178-F184 HydrophobicContact CB-CD1 4.18Å; K178-F184 HydrophobicContact CB-CE1 3.73Å; K178-F184 HydrophobicContact CB-CZ 3.96Å; K178-F184 HydrophobicContact CD-CZ 4.47Å; K178-F184 HydrophobicContact CG-CE1 4.13Å; K178-F184 HydrophobicContact CG-CE2 4.13Å; K178-F184 HydrophobicContact CG-CZ 3.82Å; K178-L214 WeakPolarHBondContact CD-O 3.35Å; K178-L214 WeakPolarHBondContact CE-O 3.36Å; K178-D216 WeakPolarHBondContact CE-O 3.27Å; K178-D216 PolarHBondContact NZ-O 3.41Å
179	N	98.3	Very high	98.1	Very high	35 Å²	35	49.4 Å²	49.4	19%	0.187	23%	0.232	C	C	.	.			trans	-101.3	165.8	169.8	-64.9	-39.3	0	0	0	111.3	D181 G182 S183 K185 T192	N179-D181 VanDerWaalsContact C-N 3.25Å; N179-D181 VanDerWaalsContact CB-OD1 3.32Å; N179-D181 WeakPolarHBondContact CB-OD1 3.22Å; N179-D181 PolarHBondContact O-N 3.33Å; N179-G182 PolarHBondContact O-N 3.31Å; N179-G182 VanDerWaalsContact O-N 3.12Å; N179-S183 WeakPolarHBondContact CB-OG 3.26Å; N179-S183 PolarHBondContact N-O 3.01Å; N179-S183 PolarHBondContact ND2-OG 3.25Å; N179-K185 WeakPolarHBondContact OD1-CD 3.32Å; N179-K185 WeakPolarHBondContact OD1-CE 3.35Å; N179-K185 PolarHBondContact OD1-NZ 3.33Å; N179-T192 PolarHBondContact ND2-OG1 3.02Å
180	D	97.6	Very high	98.1	Very high	150 Å²	150	46.4 Å²	46.4	80%	0.802	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-24.8	-176.9	-66.3	-21.9	0	0	0	114.1	G182 K217	D180-G182 VanDerWaalsContact C-N 3.28Å; D180-K217 PolarHBondContact O-NZ 3.03Å
181	D	97.7	Very high	98	Very high	82 Å²	82	50 Å²	50	44%	0.439	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-4.3	176.9	71.1	-16	0	0	0	113.3	N179 S183 W221	N179-D181 VanDerWaalsContact C-N 3.25Å; N179-D181 VanDerWaalsContact CB-OD1 3.32Å; N179-D181 WeakPolarHBondContact CB-OD1 3.22Å; N179-D181 PolarHBondContact O-N 3.33Å; D181-S183 VanDerWaalsContact OD1-CB 3.24Å; D181-S183 WeakPolarHBondContact OD1-CB 3.49Å; D181-S183 PolarHBondContact OD1-N 2.68Å; D181-S183 PolarHBondContact OD1-OG 3.25Å; D181-S183 PolarHBondContact OD2-OG 3.41Å; D181-W221 PolarHBondContact OD2-NE1 3.42Å
182	G	98.2	Very high	98	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	95.6	-9	-177.8	0	0	0	0	0	114.6	N179 D180 T218	N179-G182 PolarHBondContact O-N 3.31Å; N179-G182 VanDerWaalsContact O-N 3.12Å; D180-G182 VanDerWaalsContact C-N 3.28Å; G182-T218 WeakPolarHBondContact O-CA 3.38Å; G182-T218 WeakPolarHBondContact O-CB 3.46Å; G182-T218 WeakPolarHBondContact O-CG2 3.28Å; G182-T218 PolarHBondContact O-OG1 3.11Å
183	S	98.5	Very high	98.1	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.007	23%	0.229	C	C	.	.			trans	-74.6	168.8	175.6	72.3	0	0	0	0	112.7	N179 D181 T192	N179-S183 WeakPolarHBondContact CB-OG 3.26Å; N179-S183 PolarHBondContact N-O 3.01Å; N179-S183 PolarHBondContact ND2-OG 3.25Å; D181-S183 VanDerWaalsContact OD1-CB 3.24Å; D181-S183 WeakPolarHBondContact OD1-CB 3.49Å; D181-S183 PolarHBondContact OD1-N 2.68Å; D181-S183 PolarHBondContact OD1-OG 3.25Å; D181-S183 PolarHBondContact OD2-OG 3.41Å; S183-T192 VanDerWaalsContact CB-CG2 3.45Å; S183-T192 VanDerWaalsContact OG-CG2 3.22Å; S183-T192 WeakPolarHBondContact OG-CG2 3.33Å
184	F	98.7	Very high	98.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-128.6	131.7	177.7	-75.7	-104	0	0	0	111.2	L143 M177 K178 A197 A200 L214 F215 T218	L143-F184 HydrophobicContact CD1-CB 4.02Å; L143-F184 HydrophobicContact CD1-CD1 4.49Å; M177-F184 HydrophobicContact CB-CD1 4.11Å; M177-F184 WeakPolarHBondContact O-CA 3.29Å; K178-F184 HydrophobicContact CB-CD1 4.18Å; K178-F184 HydrophobicContact CB-CE1 3.73Å; K178-F184 HydrophobicContact CB-CZ 3.96Å; K178-F184 HydrophobicContact CD-CZ 4.47Å; K178-F184 HydrophobicContact CG-CE1 4.13Å; K178-F184 HydrophobicContact CG-CE2 4.13Å; K178-F184 HydrophobicContact CG-CZ 3.82Å; F184-A197 HydrophobicContact CD2-CB 4.17Å; F184-A200 HydrophobicContact CD1-CB 3.64Å; F184-A200 HydrophobicContact CE1-CB 3.68Å; F184-A200 HydrophobicContact CG-CB 4.14Å; F184-A200 HydrophobicContact CZ-CB 4.2Å; F184-L214 HydrophobicContact CE1-CD1 4.46Å; F184-L214 WeakPolarHBondContact CZ-O 3.46Å; F184-F215 HydrophobicContact CE1-CE1 4.44Å; F184-F215 AromaticContact CE2-CD1 3.85Å; F184-F215 HydrophobicContact CE2-CD1 3.85Å; F184-F215 AromaticContact CE2-CE1 4Å; F184-F215 HydrophobicContact CE2-CE1 4Å; F184-F215 AromaticContact CZ-CD1 3.75Å; F184-F215 HydrophobicContact CZ-CD1 3.75Å; F184-F215 AromaticContact CZ-CE1 3.64Å; F184-F215 HydrophobicContact CZ-CE1 3.64Å; F184-T218 HydrophobicContact CD2-CG2 4.36Å; F184-T218 HydrophobicContact CE2-CG2 3.98Å; F184-T218 WeakPolarHBondContact CE2-OG1 3.08Å
185	K	98.6	Very high	98.1	Very high	53 Å²	53	51.1 Å²	51.1	23%	0.23	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-75.8	144.4	169.4	-65.3	163.7	-62.1	-138.8	0	109.9	L143 M177 N179 H187 E191 T192	L143-K185 WeakPolarHBondContact CD1-O 3.48Å; M177-K185 WeakPolarHBondContact CB-O 3.46Å; M177-K185 WeakPolarHBondContact O-CE 3.43Å; M177-K185 PolarHBondContact O-N 3.15Å; M177-K185 HydrophobicContact SD-CB 4.4Å; N179-K185 WeakPolarHBondContact OD1-CD 3.32Å; N179-K185 WeakPolarHBondContact OD1-CE 3.35Å; N179-K185 PolarHBondContact OD1-NZ 3.33Å; K185-H187 VanDerWaalsContact C-N 3.32Å; K185-H187 PolarHBondContact O-N 3.2Å; K185-E191 CarbonylContact C-O 3.58Å; K185-E191 WeakPolarHBondContact CA-O 3.46Å; K185-T192 WeakPolarHBondContact CG-OG1 3.28Å
186	M	98.5	Very high	98.1	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	22%	0.222	C	C	.	.	S	Bend	trans	-68.1	-33.1	177.3	-65.5	-54.2	-72	0	0	112.9	H142 L143 A144 Y173 E191 R195 G196	H142-M186 CarbonylContact C-O 3.56Å; H142-M186 VanDerWaalsContact CA-O 3.28Å; H142-M186 WeakPolarHBondContact CA-O 3.34Å; H142-M186 WeakPolarHBondContact CE1-CE 3.23Å; L143-M186 HydrophobicContact CB-CE 4.1Å; L143-M186 HydrophobicContact CB-SD 4.28Å; L143-M186 PolarHBondContact N-O 3.37Å; A144-M186 HydrophobicContact CB-CE 3.66Å; Y173-M186 PolarHBondContact OH-O 2.93Å; Y173-M186 VanDerWaalsContact OH-O 3.14Å; M186-E191 HydrophobicContact CB-CG 4.44Å; M186-E191 VanDerWaalsContact CG-CD 3.41Å; M186-E191 HydrophobicContact CG-CG 3.77Å; M186-E191 WeakPolarHBondContact CG-OE1 3.43Å; M186-E191 PolarHBondContact N-O 2.9Å; M186-R195 HydrophobicContact CE-CB 4.22Å; M186-R195 HydrophobicContact SD-CB 4.15Å; M186-G196 WeakPolarHBondContact SD-CA 3.3Å; M186-G196 PolarHBondContact SD-N 3.35Å
187	H	98.2	Very high	98.1	Very high	44 Å²	44	41.2 Å²	41.2	20%	0.204	21%	0.206	C	C	.	.	S	Bend	trans	-157.7	175.9	173.8	61.4	78.2	0	0	0	109.1	K140 A141 H142 M177 K185 H189 G190	K140-H187 HydrophobicContact CD-CB 4.35Å; K140-H187 PolarHBondContact NZ-ND1 3.44Å; A141-H187 WeakPolarHBondContact O-CB 3.47Å; H142-H187 HydrophobicContact CB-CB 4.46Å; H142-H187 AromaticContact CD2-CD2 3.37Å; H142-H187 PolarHBondContact CD2-CD2 3.37Å; H142-H187 AromaticContact NE2-CD2 3.95Å; M177-H187 WeakPolarHBondContact SD-CA 3.31Å; K185-H187 VanDerWaalsContact C-N 3.32Å; K185-H187 PolarHBondContact O-N 3.2Å; H187-H189 PolarHBondContact O-N 3.44Å; H187-G190 WeakPolarHBondContact CE1-CA 3.34Å; H187-G190 PolarHBondContact CE1-N 2.99Å; H187-G190 PolarHBondContact ND1-N 2.92Å; H187-G190 WeakPolarHBondContact NE2-CA 3.41Å; H187-G190 PolarHBondContact O-N 3.3Å
188	D	97.2	Very high	98.2	Very high	40 Å²	40	41.5 Å²	41.5	21%	0.214	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	127.2	176	-50.2	-74.1	0	0	0	110.3	K140 R176 M177 G190	K140-D188 WeakPolarHBondContact CE-O 3.47Å; K140-D188 PolarHBondContact NZ-O 3.05Å; R176-D188 IonicContact CZ-OD1 3.65Å; R176-D188 IonicContact CZ-OD2 3.79Å; R176-D188 IonicContact NE-OD1 2.66Å; R176-D188 IonicContact NH1-OD1 3.12Å; R176-D188 PolarHBondContact NH1-OD1 3.38Å; R176-D188 IonicContact NH1-OD2 3.84Å; R176-D188 PolarHBondContact NH1-OD2 2.9Å; M177-D188 WeakPolarHBondContact CE-OD1 3.34Å; D188-G190 PolarHBondContact O-N 3.3Å; D188-G190 VanDerWaalsContact O-N 3.12Å
189	H	95.8	Very high	98.2	Very high	186 Å²	186	40 Å²	40	86%	0.861	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	17.2	-175.8	-40.8	-71.5	0	0	0	115.2	H187	H187-H189 PolarHBondContact O-N 3.44Å
190	G	97.4	Very high	98.2	Very high	18 Å²	18	38.3 Å²	38.3	19%	0.186	19%	0.192	C	C	.	.			trans	-85.5	178.6	175.2	0	0	0	0	0	112.9	H187 D188	H187-G190 WeakPolarHBondContact CE1-CA 3.34Å; H187-G190 PolarHBondContact CE1-N 2.99Å; H187-G190 PolarHBondContact ND1-N 2.92Å; H187-G190 WeakPolarHBondContact NE2-CA 3.41Å; H187-G190 PolarHBondContact O-N 3.3Å; D188-G190 PolarHBondContact O-N 3.3Å; D188-G190 VanDerWaalsContact O-N 3.12Å
191	E	97.7	Very high	98.3	Very high	76 Å²	76	31.1 Å²	31.1	36%	0.355	15%	0.154	S	C	.	.			trans	-63.3	156.4	174.9	78	-80.1	-158.1	0	0	112	K185 M186 D193 R195	K185-E191 CarbonylContact C-O 3.58Å; K185-E191 WeakPolarHBondContact CA-O 3.46Å; M186-E191 HydrophobicContact CB-CG 4.44Å; M186-E191 VanDerWaalsContact CG-CD 3.41Å; M186-E191 HydrophobicContact CG-CG 3.77Å; M186-E191 WeakPolarHBondContact CG-OE1 3.43Å; M186-E191 PolarHBondContact N-O 2.9Å; E191-D193 WeakPolarHBondContact CG-OD2 3.33Å; E191-R195 IonicContact OE1-CZ 3.74Å; E191-R195 IonicContact OE1-NH2 3.82Å; E191-R195 PolarHBondContact OE1-NH2 3.42Å
192	T	98.4	Very high	98.3	Very high	50 Å²	50	27.2 Å²	27.2	31%	0.307	13%	0.133	S	C	.	.	B	Isolated β-bridge	trans	-123.2	117.5	174.4	-65.8	0	0	0	0	108.5	N179 S183 K185 W221	N179-T192 PolarHBondContact ND2-OG1 3.02Å; S183-T192 VanDerWaalsContact CB-CG2 3.45Å; S183-T192 VanDerWaalsContact OG-CG2 3.22Å; S183-T192 WeakPolarHBondContact OG-CG2 3.33Å; K185-T192 WeakPolarHBondContact CG-OG1 3.28Å; T192-W221 HydrophobicContact CG2-CZ2 4.24Å
193	D	98.6	Very high	98.3	Very high	9 Å²	9	27.2 Å²	27.2	5%	0.048	13%	0.133	C	C	.	.	S	Bend	trans	-155	174.2	174.9	64.5	69.7	0	0	0	110.2	E191 R195 G196 A234	E191-D193 WeakPolarHBondContact CG-OD2 3.33Å; D193-R195 VanDerWaalsContact CG-NE 3.32Å; D193-R195 PolarHBondContact O-N 3.44Å; D193-R195 WeakPolarHBondContact OD1-CA 3.29Å; D193-R195 WeakPolarHBondContact OD1-CB 3.33Å; D193-R195 WeakPolarHBondContact OD1-CG 3.47Å; D193-R195 IonicContact OD1-CZ 2.8Å; D193-R195 PolarHBondContact OD1-N 3.05Å; D193-R195 IonicContact OD1-NE 2.94Å; D193-R195 PolarHBondContact OD1-NE 3.16Å; D193-R195 IonicContact OD1-NH2 3.91Å; D193-R195 IonicContact OD2-CZ 2.95Å; D193-R195 VanDerWaalsContact OD2-CZ 3.26Å; D193-R195 IonicContact OD2-NE 3.01Å; D193-R195 PolarHBondContact OD2-NE 2.71Å; D193-R195 VanDerWaalsContact OD2-NE 3.12Å; D193-R195 IonicContact OD2-NH2 3.03Å; D193-R195 PolarHBondContact OD2-NH2 3.16Å; D193-G196 PolarHBondContact O-N 3Å; D193-A234 CarbonylContact C-O 3.44Å; D193-A234 WeakPolarHBondContact CA-O 3.05Å; D193-A234 HydrophobicContact CB-CB 4.01Å; D193-A234 VanDerWaalsContact CB-O 3.23Å; D193-A234 WeakPolarHBondContact CB-O 3.3Å
194	V	98.6	Very high	98.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.3	-21.7	-174.5	71.8	0	0	0	0	114.4	G196 A197 Y198 W221 I222 A234 Y244 C247	V194-G196 VanDerWaalsContact C-N 3.26Å; V194-G196 PolarHBondContact O-N 2.88Å; V194-A197 PolarHBondContact O-N 3.18Å; V194-Y198 PolarHBondContact O-N 2.9Å; V194-Y198 VanDerWaalsContact O-N 3.13Å; V194-W221 HydrophobicContact CB-CZ3 4.31Å; V194-I222 HydrophobicContact CG2-CG1 4.34Å; V194-I222 HydrophobicContact CG2-CG2 4.35Å; V194-A234 PolarHBondContact N-O 3.22Å; V194-Y244 HydrophobicContact CG1-CD1 3.6Å; V194-Y244 HydrophobicContact CG1-CG 3.9Å; V194-C247 HydrophobicContact CG1-CB 3.97Å; V194-C247 HydrophobicContact CG2-CB 4.13Å
195	R	98.8	Very high	98.3	Very high	80 Å²	80	29.6 Å²	29.6	30%	0.302	14%	0.144	S	C	.	.	H	α-helix	trans	-62.5	-37.9	174	-58	172	-66.3	158.5	7.5	110.7	M186 E191 D193 A197 Y198 C199 Y244	M186-R195 HydrophobicContact CE-CB 4.22Å; M186-R195 HydrophobicContact SD-CB 4.15Å; E191-R195 IonicContact OE1-CZ 3.74Å; E191-R195 IonicContact OE1-NH2 3.82Å; E191-R195 PolarHBondContact OE1-NH2 3.42Å; D193-R195 VanDerWaalsContact CG-NE 3.32Å; D193-R195 PolarHBondContact O-N 3.44Å; D193-R195 WeakPolarHBondContact OD1-CA 3.29Å; D193-R195 WeakPolarHBondContact OD1-CB 3.33Å; D193-R195 WeakPolarHBondContact OD1-CG 3.47Å; D193-R195 IonicContact OD1-CZ 2.8Å; D193-R195 PolarHBondContact OD1-N 3.05Å; D193-R195 IonicContact OD1-NE 2.94Å; D193-R195 PolarHBondContact OD1-NE 3.16Å; D193-R195 IonicContact OD1-NH2 3.91Å; D193-R195 IonicContact OD2-CZ 2.95Å; D193-R195 VanDerWaalsContact OD2-CZ 3.26Å; D193-R195 IonicContact OD2-NE 3.01Å; D193-R195 PolarHBondContact OD2-NE 2.71Å; D193-R195 VanDerWaalsContact OD2-NE 3.12Å; D193-R195 IonicContact OD2-NH2 3.03Å; D193-R195 PolarHBondContact OD2-NH2 3.16Å; R195-A197 PolarHBondContact O-N 3.12Å; R195-Y198 PolarHBondContact O-N 2.99Å; R195-C199 VanDerWaalsContact O-CB 3.31Å; R195-C199 WeakPolarHBondContact O-CB 3.28Å; R195-C199 PolarHBondContact O-N 3.16Å; R195-C199 PolarHBondContact O-SG 3.37Å; R195-Y244 HydrophobicContact CG-CD1 4.04Å; R195-Y244 HydrophobicContact CG-CE1 3.84Å
196	G	98.7	Very high	98.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.5	-48.9	178.7	0	0	0	0	0	111.1	L143 M186 D193 V194 Y198 C199 A200	L143-G196 WeakPolarHBondContact CD1-O 3.22Å; M186-G196 WeakPolarHBondContact SD-CA 3.3Å; M186-G196 PolarHBondContact SD-N 3.35Å; D193-G196 PolarHBondContact O-N 3Å; V194-G196 VanDerWaalsContact C-N 3.26Å; V194-G196 PolarHBondContact O-N 2.88Å; G196-Y198 PolarHBondContact O-N 3.4Å; G196-C199 PolarHBondContact O-N 2.95Å; G196-A200 VanDerWaalsContact O-CB 3.26Å; G196-A200 WeakPolarHBondContact O-CB 3.39Å; G196-A200 PolarHBondContact O-N 2.87Å
197	A	98.7	Very high	98.3	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60.6	-47.9	178.5	0	0	0	0	0	111.6	F184 V194 R195 A200 A201 T218 I222	F184-A197 HydrophobicContact CD2-CB 4.17Å; V194-A197 PolarHBondContact O-N 3.18Å; R195-A197 PolarHBondContact O-N 3.12Å; A197-A200 PolarHBondContact O-N 3.39Å; A197-A201 WeakPolarHBondContact O-CB 3.26Å; A197-A201 PolarHBondContact O-N 3.03Å; A197-T218 HydrophobicContact CB-CG2 3.93Å; A197-I222 HydrophobicContact CB-CD1 4.05Å; A197-I222 HydrophobicContact CB-CG1 4.28Å
198	Y	98.9	Very high	98.3	Very high	6 Å²	6	27.3 Å²	27.3	2%	0.024	13%	0.133	C	C	.	.	H	α-helix	trans	-62.1	-49.6	177.4	166.8	-108.5	0	0	0	112.8	Y147 V194 R195 G196 A200 A201 A202 F246 C247 A250 I437	Y147-Y198 HydrophobicContact CD2-CE1 4.36Å; Y147-Y198 AromaticContact CE2-CE1 3.97Å; Y147-Y198 HydrophobicContact CE2-CE1 3.97Å; Y147-Y198 AromaticContact CE2-CZ 3.9Å; Y147-Y198 WeakPolarHBondContact CE2-OH 3.37Å; Y147-Y198 PolarHBondContact OH-OH 3.08Å; V194-Y198 PolarHBondContact O-N 2.9Å; V194-Y198 VanDerWaalsContact O-N 3.13Å; R195-Y198 PolarHBondContact O-N 2.99Å; G196-Y198 PolarHBondContact O-N 3.4Å; Y198-A200 VanDerWaalsContact C-N 3.29Å; Y198-A200 PolarHBondContact O-N 3.25Å; Y198-A201 PolarHBondContact O-N 3.38Å; Y198-A202 HydrophobicContact CE2-CB 4.13Å; Y198-A202 VanDerWaalsContact O-CB 3.29Å; Y198-A202 WeakPolarHBondContact O-CB 3.3Å; Y198-A202 PolarHBondContact O-N 3.21Å; Y198-F246 AromaticContact CE1-CE1 3.94Å; Y198-F246 HydrophobicContact CE1-CE1 3.94Å; Y198-F246 AromaticContact CE2-CE1 3.99Å; Y198-F246 HydrophobicContact CE2-CE1 3.99Å; Y198-F246 HydrophobicContact CE2-CZ 4.44Å; Y198-F246 AromaticContact CZ-CE1 3.58Å; Y198-C247 HydrophobicContact CD1-CB 4.42Å; Y198-C247 HydrophobicContact CG-CB 4.14Å; Y198-A250 HydrophobicContact CD2-CB 3.74Å; Y198-A250 HydrophobicContact CE2-CB 3.62Å; Y198-I437 HydrophobicContact CE2-CG2 4.45Å; Y198-I437 WeakPolarHBondContact CE2-O 3.48Å; Y198-I437 PolarHBondContact OH-O 3.21Å
199	C	98.9	Very high	98.3	Very high	8 Å²	8	26.4 Å²	26.4	5%	0.054	13%	0.129	C	C	.	.	H	α-helix	trans	-60.7	-40.3	179.7	-73.3	0	0	0	0	111.5	L143 R195 G196 A203	L143-C199 HydrophobicContact CB-CB 3.91Å; R195-C199 VanDerWaalsContact O-CB 3.31Å; R195-C199 WeakPolarHBondContact O-CB 3.28Å; R195-C199 PolarHBondContact O-N 3.16Å; R195-C199 PolarHBondContact O-SG 3.37Å; G196-C199 PolarHBondContact O-N 2.95Å; C199-A203 VanDerWaalsContact O-CB 3.22Å; C199-A203 WeakPolarHBondContact O-CB 3.05Å; C199-A203 PolarHBondContact O-N 3.36Å
200	A	98.8	Very high	98.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-64.5	-48.3	175.3	0	0	0	0	0	111.8	L143 L174 F184 G196 A197 Y198 A203 A204 F215	L143-A200 HydrophobicContact CD1-CB 4.43Å; L143-A200 HydrophobicContact CD2-CB 4.11Å; L174-A200 HydrophobicContact CD2-CB 3.9Å; F184-A200 HydrophobicContact CD1-CB 3.64Å; F184-A200 HydrophobicContact CE1-CB 3.68Å; F184-A200 HydrophobicContact CG-CB 4.14Å; F184-A200 HydrophobicContact CZ-CB 4.2Å; G196-A200 VanDerWaalsContact O-CB 3.26Å; G196-A200 WeakPolarHBondContact O-CB 3.39Å; G196-A200 PolarHBondContact O-N 2.87Å; A197-A200 PolarHBondContact O-N 3.39Å; Y198-A200 VanDerWaalsContact C-N 3.29Å; Y198-A200 PolarHBondContact O-N 3.25Å; A200-A203 PolarHBondContact O-N 3.12Å; A200-A204 VanDerWaalsContact O-CB 3.23Å; A200-A204 WeakPolarHBondContact O-CB 3.23Å; A200-A204 PolarHBondContact O-N 2.94Å; A200-F215 HydrophobicContact CB-CE1 4.14Å
201	A	98.7	Very high	97.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.3	-46	178.6	0	0	0	0	0	112	A197 Y198 A204 Q205 F215 C251 L254	A197-A201 WeakPolarHBondContact O-CB 3.26Å; A197-A201 PolarHBondContact O-N 3.03Å; Y198-A201 PolarHBondContact O-N 3.38Å; A201-A204 PolarHBondContact O-N 3.49Å; A201-Q205 VanDerWaalsContact O-CB 3.26Å; A201-Q205 WeakPolarHBondContact O-CB 3.27Å; A201-Q205 WeakPolarHBondContact O-CG 3.03Å; A201-Q205 PolarHBondContact O-N 3.02Å; A201-F215 VanDerWaalsContact CA-CZ 3.46Å; A201-F215 HydrophobicContact CB-CE1 3.95Å; A201-F215 HydrophobicContact CB-CZ 4.08Å; A201-C251 VanDerWaalsContact CB-SG 3.6Å; A201-L254 HydrophobicContact CB-CB 4.33Å; A201-L254 HydrophobicContact CB-CD1 4Å
202	A	98.8	Very high	97	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.8	-46.3	178.8	0	0	0	0	0	111.5	Y147 Y198 I206 L254 Y438	Y147-A202 HydrophobicContact CD2-CB 3.87Å; Y147-A202 HydrophobicContact CE2-CB 3.99Å; Y198-A202 HydrophobicContact CE2-CB 4.13Å; Y198-A202 VanDerWaalsContact O-CB 3.29Å; Y198-A202 WeakPolarHBondContact O-CB 3.3Å; Y198-A202 PolarHBondContact O-N 3.21Å; A202-I206 WeakPolarHBondContact O-CB 3.43Å; A202-I206 VanDerWaalsContact O-CG2 3.28Å; A202-I206 WeakPolarHBondContact O-CG2 3.22Å; A202-I206 PolarHBondContact O-N 3.34Å; A202-I206 VanDerWaalsContact O-N 3.12Å; A202-L254 HydrophobicContact CB-CD1 4.05Å; A202-Y438 HydrophobicContact CB-CD1 4.13Å; A202-Y438 HydrophobicContact CB-CE1 4.18Å
203	A	98.8	Very high	96.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.4	-47.3	176	0	0	0	0	0	111.6	I150 C199 A200 T207	I150-A203 HydrophobicContact CD1-CB 3.59Å; C199-A203 VanDerWaalsContact O-CB 3.22Å; C199-A203 WeakPolarHBondContact O-CB 3.05Å; C199-A203 PolarHBondContact O-N 3.36Å; A200-A203 PolarHBondContact O-N 3.12Å; A203-T207 WeakPolarHBondContact O-CB 3.26Å; A203-T207 WeakPolarHBondContact O-CG2 3.46Å; A203-T207 PolarHBondContact O-N 3.36Å; A203-T207 PolarHBondContact O-OG1 3.07Å
204	A	98.6	Very high	96.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.6	-44.5	-179.1	0	0	0	0	0	112.2	L174 A200 A201 K208 L209 A210 L214 F215	L174-A204 HydrophobicContact CD1-CB 3.85Å; A200-A204 VanDerWaalsContact O-CB 3.23Å; A200-A204 WeakPolarHBondContact O-CB 3.23Å; A200-A204 PolarHBondContact O-N 2.94Å; A201-A204 PolarHBondContact O-N 3.49Å; A204-K208 PolarHBondContact O-N 2.79Å; A204-L209 PolarHBondContact O-N 3.44Å; A204-A210 HydrophobicContact CB-CB 3.98Å; A204-A210 PolarHBondContact O-N 2.95Å; A204-L214 HydrophobicContact CB-CD2 4.19Å; A204-F215 HydrophobicContact CB-CE2 3.86Å; A204-F215 HydrophobicContact CB-CZ 3.81Å
205	Q	98.1	Very high	96.8	Very high	51 Å²	51	28.7 Å²	28.7	24%	0.238	15%	0.153	C	C	.	.	H	α-helix	trans	-71.7	-43	-175.2	-71.5	-70.4	12.7	0	0	112.6	A201 T207 K208 A210 L254 Y438	A201-Q205 VanDerWaalsContact O-CB 3.26Å; A201-Q205 WeakPolarHBondContact O-CB 3.27Å; A201-Q205 WeakPolarHBondContact O-CG 3.03Å; A201-Q205 PolarHBondContact O-N 3.02Å; Q205-T207 VanDerWaalsContact C-N 3.32Å; Q205-T207 PolarHBondContact O-N 3.33Å; Q205-K208 PolarHBondContact O-N 2.84Å; Q205-A210 VanDerWaalsContact CD-CB 3.48Å; Q205-A210 HydrophobicContact CG-CB 4.06Å; Q205-L254 HydrophobicContact CB-CD2 4.07Å; Q205-L254 HydrophobicContact CG-CB 4.22Å; Q205-L254 HydrophobicContact CG-CD2 4.1Å; Q205-L254 PolarHBondContact NE2-O 2.99Å; Q205-Y438 VanDerWaalsContact CB-OH 3.32Å; Q205-Y438 WeakPolarHBondContact CB-OH 3.23Å
206	I	98.5	Very high	96.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-68.8	-34.1	179.6	-157.1	167.9	0	0	0	111.6	I150 M151 C154 A202 K208 Y438 I440 A448 F452	I150-I206 HydrophobicContact CG2-CG2 3.66Å; M151-I206 HydrophobicContact CE-CB 4.41Å; M151-I206 HydrophobicContact CE-CD1 3.89Å; M151-I206 HydrophobicContact CE-CG2 3.82Å; M151-I206 HydrophobicContact SD-CD1 3.95Å; C154-I206 HydrophobicContact CB-CD1 4.45Å; A202-I206 WeakPolarHBondContact O-CB 3.43Å; A202-I206 VanDerWaalsContact O-CG2 3.28Å; A202-I206 WeakPolarHBondContact O-CG2 3.22Å; A202-I206 PolarHBondContact O-N 3.34Å; A202-I206 VanDerWaalsContact O-N 3.12Å; I206-K208 VanDerWaalsContact C-N 3.33Å; I206-Y438 HydrophobicContact CB-CD1 4.36Å; I206-Y438 HydrophobicContact CB-CE1 3.85Å; I206-Y438 HydrophobicContact CD1-CD1 4.21Å; I206-Y438 HydrophobicContact CD1-CE1 4.46Å; I206-Y438 HydrophobicContact CD1-CG 4.36Å; I206-Y438 HydrophobicContact CG1-CE1 4.48Å; I206-I440 HydrophobicContact CD1-CD1 3.82Å; I206-A448 HydrophobicContact CD1-CB 4.35Å; I206-A448 HydrophobicContact CG1-CB 4.26Å; I206-F452 WeakPolarHBondContact O-CD2 3.43Å
207	T	98.5	Very high	96.7	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	4.5	177.9	64.3	0	0	0	0	113.7	I150 I165 R167 L170 A203 Q205 L209 F452	I150-T207 HydrophobicContact CD1-CG2 4.37Å; I150-T207 HydrophobicContact CG2-CG2 4.12Å; I165-T207 HydrophobicContact CD1-CG2 4.44Å; I165-T207 HydrophobicContact CG2-CG2 4.22Å; R167-T207 VanDerWaalsContact CZ-O 3.28Å; R167-T207 PolarHBondContact NE-O 2.84Å; R167-T207 PolarHBondContact NH2-O 3.25Å; L170-T207 HydrophobicContact CD2-CG2 4.06Å; A203-T207 WeakPolarHBondContact O-CB 3.26Å; A203-T207 WeakPolarHBondContact O-CG2 3.46Å; A203-T207 PolarHBondContact O-N 3.36Å; A203-T207 PolarHBondContact O-OG1 3.07Å; Q205-T207 VanDerWaalsContact C-N 3.32Å; Q205-T207 PolarHBondContact O-N 3.33Å; T207-L209 VanDerWaalsContact C-N 3.33Å; T207-L209 PolarHBondContact O-N 2.97Å; T207-L209 WeakPolarHBondContact OG1-CD1 3.31Å; T207-F452 HydrophobicContact CG2-CE2 4.37Å; T207-F452 HydrophobicContact CG2-CZ 4.41Å
208	K	97.5	Very high	96.7	Very high	49 Å²	49	34 Å²	34	21%	0.213	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	38.7	178.6	-54	-61.7	174.2	-157.5	0	114.2	R167 A204 Q205 I206 F452 S453 N456	R167-K208 PolarHBondContact NH2-O 2.92Å; R167-K208 VanDerWaalsContact NH2-O 3.11Å; A204-K208 PolarHBondContact O-N 2.79Å; Q205-K208 PolarHBondContact O-N 2.84Å; I206-K208 VanDerWaalsContact C-N 3.33Å; K208-F452 HydrophobicContact CB-CB 4.26Å; K208-F452 HydrophobicContact CG-CB 3.74Å; K208-S453 WeakPolarHBondContact CE-OG 3.11Å; K208-N456 PolarHBondContact O-OD1 3.34Å
209	L	97.2	Very high	96.7	Very high	22 Å²	22	33.8 Å²	33.8	12%	0.115	18%	0.182	C	C	.	.			trans	-106.5	-6.4	177.3	-69.1	175.6	0	0	0	113.8	R167 L170 L171 A204 T207 D211	R167-L209 HydrophobicContact CB-CD1 4.18Å; R167-L209 HydrophobicContact CB-CD2 4.2Å; R167-L209 WeakPolarHBondContact O-CD1 3.4Å; L170-L209 HydrophobicContact CB-CD1 4.05Å; L170-L209 HydrophobicContact CD2-CD1 3.78Å; L170-L209 HydrophobicContact CG-CD1 3.9Å; L171-L209 HydrophobicContact CB-CD1 4.29Å; L171-L209 HydrophobicContact CB-CD2 4.33Å; A204-L209 PolarHBondContact O-N 3.44Å; T207-L209 VanDerWaalsContact C-N 3.33Å; T207-L209 PolarHBondContact O-N 2.97Å; T207-L209 WeakPolarHBondContact OG1-CD1 3.31Å; L209-D211 PolarHBondContact O-N 3.48Å
210	A	92	Very high	96.7	Very high	35 Å²	35	37.7 Å²	37.7	29%	0.289	20%	0.199	S	C	.	.			trans	-64.4	126.7	-180	0	0	0	0	0	110.9	A204 Q205 F215	A204-A210 HydrophobicContact CB-CB 3.98Å; A204-A210 PolarHBondContact O-N 2.95Å; Q205-A210 VanDerWaalsContact CD-CB 3.48Å; Q205-A210 HydrophobicContact CG-CB 4.06Å; A210-F215 HydrophobicContact CB-CE2 4.05Å
211	D	87.1	Confident	96.7	Very high	57 Å²	57	39.1 Å²	39.1	31%	0.305	21%	0.205	S	C	.	.			trans	-127.4	162.6	171.9	75.8	42.1	0	0	0	110.2	R175 L209 K213 L214	R175-D211 IonicContact NH2-OD2 3.77Å; R175-D211 PolarHBondContact NH2-OD2 3.3Å; R175-D211 VanDerWaalsContact NH2-OD2 3.12Å; L209-D211 PolarHBondContact O-N 3.48Å; D211-K213 PolarHBondContact O-N 2.91Å; D211-K213 WeakPolarHBondContact OD1-CA 3.5Å; D211-K213 WeakPolarHBondContact OD1-CB 3.44Å; D211-K213 PolarHBondContact OD1-N 3.15Å; D211-L214 PolarHBondContact O-N 3.18Å; D211-L214 WeakPolarHBondContact OD1-CB 2.79Å; D211-L214 PolarHBondContact OD1-N 2.92Å
212	A	85.4	Confident	96.7	Very high	99 Å²	99	39.1 Å²	39.1	82%	0.818	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-27.8	-176.1	0	0	0	0	0	113.4
213	K	94.6	Very high	96.7	Very high	175 Å²	175	41.2 Å²	41.2	76%	0.761	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-33.8	-177.6	-174.3	177.8	179.4	179.7	0	111.5	D211 F215 D216	D211-K213 PolarHBondContact O-N 2.91Å; D211-K213 WeakPolarHBondContact OD1-CA 3.5Å; D211-K213 WeakPolarHBondContact OD1-CB 3.44Å; D211-K213 PolarHBondContact OD1-N 3.15Å; K213-F215 PolarHBondContact O-N 2.78Å; K213-D216 PolarHBondContact O-N 3.04Å
214	L	98.1	Very high	96.6	Very high	3 Å²	3	43 Å²	43	2%	0.016	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-33.3	-178.6	-178.3	58.8	0	0	0	112.1	L171 L174 R175 K178 F184 A204 D211	L171-L214 HydrophobicContact CD1-CD2 4.13Å; L174-L214 HydrophobicContact CB-CD1 4.11Å; L174-L214 HydrophobicContact CB-CD2 4.25Å; L174-L214 HydrophobicContact CD1-CD2 4.25Å; R175-L214 HydrophobicContact CG-CD1 3.85Å; K178-L214 WeakPolarHBondContact CD-O 3.35Å; K178-L214 WeakPolarHBondContact CE-O 3.36Å; F184-L214 HydrophobicContact CE1-CD1 4.46Å; F184-L214 WeakPolarHBondContact CZ-O 3.46Å; A204-L214 HydrophobicContact CB-CD2 4.19Å; D211-L214 PolarHBondContact O-N 3.18Å; D211-L214 WeakPolarHBondContact OD1-CB 2.79Å; D211-L214 PolarHBondContact OD1-N 2.92Å
215	F	98.2	Very high	96.6	Very high	18 Å²	18	43 Å²	43	8%	0.079	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	18.8	-177.8	-61.8	-73.9	0	0	0	113.9	F184 A200 A201 A204 A210 K213 K217 T218 L255	F184-F215 HydrophobicContact CE1-CE1 4.44Å; F184-F215 AromaticContact CE2-CD1 3.85Å; F184-F215 HydrophobicContact CE2-CD1 3.85Å; F184-F215 AromaticContact CE2-CE1 4Å; F184-F215 HydrophobicContact CE2-CE1 4Å; F184-F215 AromaticContact CZ-CD1 3.75Å; F184-F215 HydrophobicContact CZ-CD1 3.75Å; F184-F215 AromaticContact CZ-CE1 3.64Å; F184-F215 HydrophobicContact CZ-CE1 3.64Å; A200-F215 HydrophobicContact CB-CE1 4.14Å; A201-F215 VanDerWaalsContact CA-CZ 3.46Å; A201-F215 HydrophobicContact CB-CE1 3.95Å; A201-F215 HydrophobicContact CB-CZ 4.08Å; A204-F215 HydrophobicContact CB-CE2 3.86Å; A204-F215 HydrophobicContact CB-CZ 3.81Å; A210-F215 HydrophobicContact CB-CE2 4.05Å; K213-F215 PolarHBondContact O-N 2.78Å; F215-K217 PolarHBondContact O-N 3.49Å; F215-T218 WeakPolarHBondContact CA-OG1 3.3Å; F215-T218 HydrophobicContact CD1-CG2 4.25Å; F215-T218 VanDerWaalsContact O-CB 3.31Å; F215-T218 WeakPolarHBondContact O-CB 3.48Å; F215-T218 PolarHBondContact O-N 3.42Å; F215-T218 VanDerWaalsContact O-N 3.07Å; F215-T218 PolarHBondContact O-OG1 2.91Å; F215-L255 HydrophobicContact CB-CD1 4.23Å; F215-L255 HydrophobicContact CB-CD2 3.61Å; F215-L255 HydrophobicContact CD1-CD2 3.97Å; F215-L255 HydrophobicContact CD2-CD2 3.7Å; F215-L255 HydrophobicContact CE2-CD2 4.38Å; F215-L255 HydrophobicContact CG-CD2 3.47Å; F215-L255 VanDerWaalsContact CG-CD2 3.47Å
216	D	97.8	Very high	96.7	Very high	88 Å²	88	42.2 Å²	42.2	47%	0.471	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	131	172.2	179.8	47.7	0	0	0	110.9	K178 K213 T218	K178-D216 WeakPolarHBondContact CE-O 3.27Å; K178-D216 PolarHBondContact NZ-O 3.41Å; K213-D216 PolarHBondContact O-N 3.04Å; D216-T218 PolarHBondContact O-N 2.67Å; D216-T218 VanDerWaalsContact O-N 3.13Å
217	K	98.3	Very high	96.7	Very high	103 Å²	103	43.2 Å²	43.2	45%	0.448	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	-4.7	-174.3	-52.5	172.9	-168.1	171.8	0	116.7	D180 F215 A219 E220 W221	D180-K217 PolarHBondContact O-NZ 3.03Å; F215-K217 PolarHBondContact O-N 3.49Å; K217-A219 VanDerWaalsContact C-N 3.33Å; K217-A219 PolarHBondContact O-N 3.08Å; K217-E220 VanDerWaalsContact C-OE2 3.31Å; K217-E220 VanDerWaalsContact CA-OE2 3.25Å; K217-E220 WeakPolarHBondContact CA-OE2 3.21Å; K217-E220 PolarHBondContact O-N 2.96Å; K217-W221 PolarHBondContact O-N 3.13Å
218	T	98.6	Very high	96.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64.5	-39.5	-174.3	-59.9	0	0	0	0	111.8	G182 F184 A197 F215 D216 W221 I222 L255	G182-T218 WeakPolarHBondContact O-CA 3.38Å; G182-T218 WeakPolarHBondContact O-CB 3.46Å; G182-T218 WeakPolarHBondContact O-CG2 3.28Å; G182-T218 PolarHBondContact O-OG1 3.11Å; F184-T218 HydrophobicContact CD2-CG2 4.36Å; F184-T218 HydrophobicContact CE2-CG2 3.98Å; F184-T218 WeakPolarHBondContact CE2-OG1 3.08Å; A197-T218 HydrophobicContact CB-CG2 3.93Å; F215-T218 WeakPolarHBondContact CA-OG1 3.3Å; F215-T218 HydrophobicContact CD1-CG2 4.25Å; F215-T218 VanDerWaalsContact O-CB 3.31Å; F215-T218 WeakPolarHBondContact O-CB 3.48Å; F215-T218 PolarHBondContact O-N 3.42Å; F215-T218 VanDerWaalsContact O-N 3.07Å; F215-T218 PolarHBondContact O-OG1 2.91Å; D216-T218 PolarHBondContact O-N 2.67Å; D216-T218 VanDerWaalsContact O-N 3.13Å; T218-W221 PolarHBondContact O-N 3.08Å; T218-I222 HydrophobicContact CG2-CD1 3.91Å; T218-I222 HydrophobicContact CG2-CG1 4.47Å; T218-I222 WeakPolarHBondContact O-CD1 3.13Å; T218-I222 VanDerWaalsContact O-CG1 3.23Å; T218-I222 WeakPolarHBondContact O-CG1 3.33Å; T218-I222 PolarHBondContact O-N 2.9Å; T218-L255 HydrophobicContact CG2-CD1 4.13Å
219	A	98.4	Very high	96.5	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.008	27%	0.27	C	S	.	.	H	α-helix	trans	-64.4	-44.4	178.4	0	0	0	0	0	111.5	K217 W221 I222 I223 L252 R257 L260	K217-A219 VanDerWaalsContact C-N 3.33Å; K217-A219 PolarHBondContact O-N 3.08Å; A219-W221 VanDerWaalsContact C-N 3.35Å; A219-W221 PolarHBondContact O-N 3.34Å; A219-I222 PolarHBondContact O-N 3.39Å; A219-I223 VanDerWaalsContact O-CG1 3.27Å; A219-I223 WeakPolarHBondContact O-CG1 3.33Å; A219-I223 PolarHBondContact O-N 3.07Å; A219-L252 HydrophobicContact CB-CD2 3.84Å; A219-R257 HydrophobicContact CB-CB 3.61Å; A219-R257 HydrophobicContact CB-CG 3.76Å; A219-L260 HydrophobicContact CB-CD1 3.89Å
220	E	98.5	Very high	96.5	Very high	91 Å²	91	50.8 Å²	50.8	43%	0.425	26%	0.264	S	S	.	.	H	α-helix	trans	-62.6	-41.8	177.8	-66.1	72.3	-162.2	0	0	111.3	K217 I223 G224 R257	K217-E220 VanDerWaalsContact C-OE2 3.31Å; K217-E220 VanDerWaalsContact CA-OE2 3.25Å; K217-E220 WeakPolarHBondContact CA-OE2 3.21Å; K217-E220 PolarHBondContact O-N 2.96Å; E220-I223 PolarHBondContact O-N 3.28Å; E220-G224 PolarHBondContact O-N 2.92Å; E220-G224 VanDerWaalsContact O-N 3.16Å; E220-R257 IonicContact OE1-CZ 2.78Å; E220-R257 IonicContact OE1-NH1 3.53Å; E220-R257 PolarHBondContact OE1-NH1 3.29Å; E220-R257 VanDerWaalsContact OE1-NH1 3.16Å; E220-R257 IonicContact OE1-NH2 3.87Å; E220-R257 PolarHBondContact OE1-NH2 2.66Å; E220-R257 IonicContact OE2-NH1 2.81Å
221	W	98.7	Very high	96.8	Very high	30 Å²	30	49.1 Å²	49.1	11%	0.114	25%	0.251	C	S	.	.	H	α-helix	trans	-62.7	-44.9	174.9	-175.9	90.9	0	0	0	112.2	D181 T192 V194 K217 T218 A219 I223 G224 C225	D181-W221 PolarHBondContact OD2-NE1 3.42Å; T192-W221 HydrophobicContact CG2-CZ2 4.24Å; V194-W221 HydrophobicContact CB-CZ3 4.31Å; K217-W221 PolarHBondContact O-N 3.13Å; T218-W221 PolarHBondContact O-N 3.08Å; A219-W221 VanDerWaalsContact C-N 3.35Å; A219-W221 PolarHBondContact O-N 3.34Å; W221-I223 VanDerWaalsContact C-N 3.3Å; W221-I223 PolarHBondContact O-N 3.11Å; W221-G224 WeakPolarHBondContact O-CA 3.42Å; W221-G224 PolarHBondContact O-N 3.23Å; W221-G224 VanDerWaalsContact O-N 3.1Å; W221-C225 PolarHBondContact O-N 2.91Å
222	I	98.8	Very high	97.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.6	-40.6	176.7	-68.4	164.2	0	0	0	111.1	V194 A197 T218 A219 G224 C225 F232 C251 L252	V194-I222 HydrophobicContact CG2-CG1 4.34Å; V194-I222 HydrophobicContact CG2-CG2 4.35Å; A197-I222 HydrophobicContact CB-CD1 4.05Å; A197-I222 HydrophobicContact CB-CG1 4.28Å; T218-I222 HydrophobicContact CG2-CD1 3.91Å; T218-I222 HydrophobicContact CG2-CG1 4.47Å; T218-I222 WeakPolarHBondContact O-CD1 3.13Å; T218-I222 VanDerWaalsContact O-CG1 3.23Å; T218-I222 WeakPolarHBondContact O-CG1 3.33Å; T218-I222 PolarHBondContact O-N 2.9Å; A219-I222 PolarHBondContact O-N 3.39Å; I222-G224 PolarHBondContact O-N 3.1Å; I222-C225 WeakPolarHBondContact O-CA 3.24Å; I222-C225 WeakPolarHBondContact O-CB 3.42Å; I222-C225 PolarHBondContact O-N 2.9Å; I222-F232 HydrophobicContact CG2-CD1 4.01Å; I222-F232 HydrophobicContact CG2-CE1 3.76Å; I222-F232 WeakPolarHBondContact O-CD1 3.16Å; I222-F232 WeakPolarHBondContact O-CE1 3.49Å; I222-C251 HydrophobicContact CD1-CB 3.79Å; I222-C251 WeakPolarHBondContact CD1-SG 3.33Å; I222-L252 HydrophobicContact CB-CD2 4.31Å; I222-L252 HydrophobicContact CB-CG 4.47Å; I222-L252 HydrophobicContact CG2-CD1 3.94Å; I222-L252 HydrophobicContact CG2-CD2 4.22Å; I222-L252 HydrophobicContact CG2-CG 3.86Å
223	I	98.5	Very high	98	Very high	43 Å²	43	41.7 Å²	41.7	22%	0.221	20%	0.197	C	C	.	.	H	α-helix	trans	-63	-33.9	177.2	-67.8	-64.2	0	0	0	111.7	A219 E220 W221 C225 Q226 F232 L252 L260 A261	A219-I223 VanDerWaalsContact O-CG1 3.27Å; A219-I223 WeakPolarHBondContact O-CG1 3.33Å; A219-I223 PolarHBondContact O-N 3.07Å; E220-I223 PolarHBondContact O-N 3.28Å; W221-I223 VanDerWaalsContact C-N 3.3Å; W221-I223 PolarHBondContact O-N 3.11Å; I223-C225 PolarHBondContact O-N 3.41Å; I223-C225 VanDerWaalsContact O-N 3.16Å; I223-Q226 WeakPolarHBondContact O-CB 3.32Å; I223-Q226 PolarHBondContact O-N 2.92Å; I223-F232 HydrophobicContact CD1-CE1 4.42Å; I223-F232 HydrophobicContact CD1-CZ 4.47Å; I223-L252 HydrophobicContact CD1-CD1 3.7Å; I223-L252 HydrophobicContact CD1-CD2 4.37Å; I223-L252 HydrophobicContact CG1-CD1 4.48Å; I223-L252 HydrophobicContact CG1-CD2 4.36Å; I223-L260 HydrophobicContact CD1-CB 3.62Å; I223-L260 WeakPolarHBondContact CD1-O 3.38Å; I223-L260 HydrophobicContact CG1-CB 3.59Å; I223-L260 HydrophobicContact CG1-CD1 4.21Å; I223-A261 VanDerWaalsContact CD1-CA 3.49Å; I223-A261 HydrophobicContact CD1-CB 3.97Å
224	G	98.4	Very high	98.2	Very high	38 Å²	38	34.2 Å²	34.2	39%	0.392	17%	0.168	S	C	.	.	H	α-helix	trans	-58.5	-22.6	169.4	0	0	0	0	0	114	E220 W221 I222 P236	E220-G224 PolarHBondContact O-N 2.92Å; E220-G224 VanDerWaalsContact O-N 3.16Å; W221-G224 WeakPolarHBondContact O-CA 3.42Å; W221-G224 PolarHBondContact O-N 3.23Å; W221-G224 VanDerWaalsContact O-N 3.1Å; I222-G224 PolarHBondContact O-N 3.1Å; G224-P236 VanDerWaalsContact O-CA 3.31Å; G224-P236 WeakPolarHBondContact O-CA 3.32Å; G224-P236 VanDerWaalsContact O-CB 3.3Å; G224-P236 WeakPolarHBondContact O-CB 3.49Å
225	C	98.7	Very high	98.2	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.007	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-10.2	175.4	-55.6	0	0	0	0	113.5	W221 I222 I223 T227 F232 A233 P236	W221-C225 PolarHBondContact O-N 2.91Å; I222-C225 WeakPolarHBondContact O-CA 3.24Å; I222-C225 WeakPolarHBondContact O-CB 3.42Å; I222-C225 PolarHBondContact O-N 2.9Å; I223-C225 PolarHBondContact O-N 3.41Å; I223-C225 VanDerWaalsContact O-N 3.16Å; C225-T227 PolarHBondContact O-N 2.89Å; C225-F232 HydrophobicContact CB-CD1 4.15Å; C225-F232 CarbonylContact O-C 3.58Å; C225-F232 VanDerWaalsContact O-CA 3.3Å; C225-F232 WeakPolarHBondContact O-CA 3.48Å; C225-A233 PolarHBondContact O-N 2.65Å; C225-P236 VanDerWaalsContact SG-CD 3.57Å
226	Q	98.7	Very high	98.2	Very high	34 Å²	34	38.1 Å²	38.1	16%	0.159	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-71.7	123.6	173.9	-164.5	177.1	13.7	0	0	109.6	I223 G230 F232 H262 S265	I223-Q226 WeakPolarHBondContact O-CB 3.32Å; I223-Q226 PolarHBondContact O-N 2.92Å; Q226-G230 WeakPolarHBondContact CG-O 3.43Å; Q226-G230 PolarHBondContact NE2-O 3.09Å; Q226-F232 HydrophobicContact CB-CD1 3.97Å; Q226-F232 HydrophobicContact CB-CE1 3.74Å; Q226-F232 HydrophobicContact CB-CE2 4.49Å; Q226-F232 HydrophobicContact CB-CG 4.45Å; Q226-F232 HydrophobicContact CB-CZ 4.02Å; Q226-F232 HydrophobicContact CG-CE1 4.38Å; Q226-F232 HydrophobicContact CG-CE2 4.26Å; Q226-F232 HydrophobicContact CG-CZ 4.18Å; Q226-H262 PolarHBondContact NE2-O 3.31Å; Q226-S265 PolarHBondContact NE2-OG 2.95Å
227	T	98.2	Very high	98.1	Very high	20 Å²	20	38 Å²	38	12%	0.123	22%	0.216	C	C	.	.			trans	-92.6	170.1	-172.6	70.2	0	0	0	0	112	C225 E229 G230 G231 A233 C238 A240	C225-T227 PolarHBondContact O-N 2.89Å; T227-E229 PolarHBondContact O-N 2.59Å; T227-E229 WeakPolarHBondContact OG1-CB 3.25Å; T227-E229 PolarHBondContact OG1-N 3.2Å; T227-G230 PolarHBondContact O-N 3.01Å; T227-G231 PolarHBondContact N-O 3.48Å; T227-G231 PolarHBondContact OG1-O 3.31Å; T227-A233 HydrophobicContact CG2-CB 3.73Å; T227-C238 WeakPolarHBondContact CG2-O 3.43Å; T227-A240 HydrophobicContact CG2-CB 4.06Å; T227-A240 WeakPolarHBondContact OG1-CB 3.27Å
228	Y	96.7	Very high	98	Very high	209 Å²	209	36.1 Å²	36.1	82%	0.82	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.7	169.8	80.3	-90.3	0	0	0	112.7	G230	Y228-G230 PolarHBondContact O-N 3.07Å
229	E	96.8	Very high	98	Very high	21 Å²	21	40.4 Å²	40.4	10%	0.098	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-22.6	175.8	-60.2	-177.7	80.7	0	0	111.5	T227 A240 R268 W269 T285	T227-E229 PolarHBondContact O-N 2.59Å; T227-E229 WeakPolarHBondContact OG1-CB 3.25Å; T227-E229 PolarHBondContact OG1-N 3.2Å; E229-A240 HydrophobicContact CB-CB 4.17Å; E229-A240 WeakPolarHBondContact OE2-CB 3.48Å; E229-A240 PolarHBondContact OE2-N 3.26Å; E229-R268 PolarHBondContact O-NH2 3.06Å; E229-W269 WeakPolarHBondContact O-CB 3.42Å; E229-T285 PolarHBondContact OE1-OG1 3.12Å
230	G	97.1	Very high	98	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	106.5	-27.1	177.4	0	0	0	0	0	114.6	Q226 T227 Y228 S265 L266	Q226-G230 WeakPolarHBondContact CG-O 3.43Å; Q226-G230 PolarHBondContact NE2-O 3.09Å; T227-G230 PolarHBondContact O-N 3.01Å; Y228-G230 PolarHBondContact O-N 3.07Å; G230-S265 WeakPolarHBondContact CA-O 3.36Å; G230-L266 WeakPolarHBondContact O-CA 3.42Å; G230-L266 VanDerWaalsContact O-CD1 3.3Å; G230-L266 WeakPolarHBondContact O-CD1 3.48Å
231	G	98.2	Very high	98	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-80.9	176.4	170.2	0	0	0	0	0	113	T227 T245	T227-G231 PolarHBondContact N-O 3.48Å; T227-G231 PolarHBondContact OG1-O 3.31Å; G231-T245 WeakPolarHBondContact CA-OG1 3.2Å
232	F	98.7	Very high	98	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-99.9	147.7	177.4	-61.6	-108.6	0	0	0	111.9	I222 I223 C225 Q226 A240 H241 Y244 T245 I249 L252 A261 L266	I222-F232 HydrophobicContact CG2-CD1 4.01Å; I222-F232 HydrophobicContact CG2-CE1 3.76Å; I222-F232 WeakPolarHBondContact O-CD1 3.16Å; I222-F232 WeakPolarHBondContact O-CE1 3.49Å; I223-F232 HydrophobicContact CD1-CE1 4.42Å; I223-F232 HydrophobicContact CD1-CZ 4.47Å; C225-F232 HydrophobicContact CB-CD1 4.15Å; C225-F232 CarbonylContact O-C 3.58Å; C225-F232 VanDerWaalsContact O-CA 3.3Å; C225-F232 WeakPolarHBondContact O-CA 3.48Å; Q226-F232 HydrophobicContact CB-CD1 3.97Å; Q226-F232 HydrophobicContact CB-CE1 3.74Å; Q226-F232 HydrophobicContact CB-CE2 4.49Å; Q226-F232 HydrophobicContact CB-CG 4.45Å; Q226-F232 HydrophobicContact CB-CZ 4.02Å; Q226-F232 HydrophobicContact CG-CE1 4.38Å; Q226-F232 HydrophobicContact CG-CE2 4.26Å; Q226-F232 HydrophobicContact CG-CZ 4.18Å; F232-A240 WeakPolarHBondContact O-CA 3.16Å; F232-H241 PolarHBondContact O-N 3.42Å; F232-Y244 WeakPolarHBondContact O-CB 3.47Å; F232-T245 HydrophobicContact CD2-CG2 4.32Å; F232-T245 PolarHBondContact N-OG1 2.94Å; F232-T245 PolarHBondContact O-OG1 3.39Å; F232-I249 HydrophobicContact CE2-CG1 4.13Å; F232-L252 HydrophobicContact CE1-CD1 4.21Å; F232-L252 HydrophobicContact CZ-CD1 3.93Å; F232-A261 HydrophobicContact CZ-CB 4.04Å; F232-L266 HydrophobicContact CD2-CD1 4.21Å; F232-L266 HydrophobicContact CE2-CD1 4.04Å; F232-L266 HydrophobicContact CE2-CD2 4.29Å
233	A	98.6	Very high	98	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.223	C	C	.	.			trans	-103.5	177.1	175	0	0	0	0	0	112.1	C225 T227 S235 C238 E239	C225-A233 PolarHBondContact O-N 2.65Å; T227-A233 HydrophobicContact CG2-CB 3.73Å; A233-S235 VanDerWaalsContact C-N 3.29Å; A233-S235 PolarHBondContact O-N 3.29Å; A233-C238 VanDerWaalsContact CB-C 3.5Å; A233-C238 HydrophobicContact CB-CB 3.6Å; A233-C238 WeakPolarHBondContact CB-O 3.29Å; A233-E239 WeakPolarHBondContact CA-O 3.47Å; A233-E239 WeakPolarHBondContact CB-O 3.27Å
234	A	98.3	Very high	98	Very high	18 Å²	18	37.8 Å²	37.8	15%	0.149	22%	0.224	C	C	.	.	S	Bend	trans	-58.7	-43.8	176.5	0	0	0	0	0	111.8	D193 V194 Y244	D193-A234 CarbonylContact C-O 3.44Å; D193-A234 WeakPolarHBondContact CA-O 3.05Å; D193-A234 HydrophobicContact CB-CB 4.01Å; D193-A234 VanDerWaalsContact CB-O 3.23Å; D193-A234 WeakPolarHBondContact CB-O 3.3Å; V194-A234 PolarHBondContact N-O 3.22Å; A234-Y244 HydrophobicContact CB-CD2 3.83Å; A234-Y244 HydrophobicContact CB-CE1 4.16Å; A234-Y244 HydrophobicContact CB-CE2 3.52Å; A234-Y244 HydrophobicContact CB-CG 4.37Å
235	S	98.2	Very high	98	Very high	38 Å²	38	36 Å²	36	27%	0.266	21%	0.205	S	C	.	.	S	Bend	trans	-149.4	166.1	-178.5	65.6	0	0	0	0	109.4	A233 G237 C238	A233-S235 VanDerWaalsContact C-N 3.29Å; A233-S235 PolarHBondContact O-N 3.29Å; S235-G237 PolarHBondContact O-N 2.86Å; S235-C238 WeakPolarHBondContact O-CB 3.45Å; S235-C238 PolarHBondContact O-N 3Å; S235-C238 PolarHBondContact OG-SG 3.29Å
236	P	97.8	Very high	98	Very high	66 Å²	66	36 Å²	36	43%	0.429	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	134.4	-179.7	-27.3	37	0	0	0	113.1	G224 C225	G224-P236 VanDerWaalsContact O-CA 3.31Å; G224-P236 WeakPolarHBondContact O-CA 3.32Å; G224-P236 VanDerWaalsContact O-CB 3.3Å; G224-P236 WeakPolarHBondContact O-CB 3.49Å; C225-P236 VanDerWaalsContact SG-CD 3.57Å
237	G	95.5	Very high	98	Very high	86 Å²	86	34.6 Å²	34.6	89%	0.887	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.4	0.7	178.6	0	0	0	0	0	116.2	S235	S235-G237 PolarHBondContact O-N 2.86Å
238	C	97.3	Very high	98	Very high	62 Å²	62	33.7 Å²	33.7	42%	0.419	19%	0.193	S	C	.	.	S	Bend	trans	-89.7	173.5	174.9	-69.1	0	0	0	0	113.4	T227 A233 S235	T227-C238 WeakPolarHBondContact CG2-O 3.43Å; A233-C238 VanDerWaalsContact CB-C 3.5Å; A233-C238 HydrophobicContact CB-CB 3.6Å; A233-C238 WeakPolarHBondContact CB-O 3.29Å; S235-C238 WeakPolarHBondContact O-CB 3.45Å; S235-C238 PolarHBondContact O-N 3Å; S235-C238 PolarHBondContact OG-SG 3.29Å
239	E	97.8	Very high	98.1	Very high	91 Å²	91	24.1 Å²	24.1	43%	0.425	16%	0.156	S	C	.	.	P	Polyproline II helix	trans	-69.2	140.7	175.5	-174.9	-170.9	-157.7	0	0	111.9	A233 R284	A233-E239 WeakPolarHBondContact CA-O 3.47Å; A233-E239 WeakPolarHBondContact CB-O 3.27Å; E239-R284 VanDerWaalsContact OE2-CD 3.25Å; E239-R284 WeakPolarHBondContact OE2-CD 3.41Å; E239-R284 IonicContact OE2-NH1 3.55Å; E239-R284 PolarHBondContact OE2-NH1 3.18Å; E239-R284 VanDerWaalsContact OE2-NH1 3.12Å
240	A	98.5	Very high	98.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-67.6	144	176.2	0	0	0	0	0	111.9	T227 E229 F232 W269 R284	T227-A240 HydrophobicContact CG2-CB 4.06Å; T227-A240 WeakPolarHBondContact OG1-CB 3.27Å; E229-A240 HydrophobicContact CB-CB 4.17Å; E229-A240 WeakPolarHBondContact OE2-CB 3.48Å; E229-A240 PolarHBondContact OE2-N 3.26Å; F232-A240 WeakPolarHBondContact O-CA 3.16Å; A240-W269 HydrophobicContact CB-CZ2 3.66Å; A240-R284 WeakPolarHBondContact O-CG 3.49Å
241	H	98.7	Very high	98.3	Very high	42 Å²	42	23.1 Å²	23.1	19%	0.194	15%	0.151	C	C	.	.			trans	-148.1	136.5	-175.6	-179.7	-83.5	0	0	0	111.7	F232 G243 Y244 T245 G283 R284 Y293	F232-H241 PolarHBondContact O-N 3.42Å; H241-G243 VanDerWaalsContact C-N 3.33Å; H241-G243 PolarHBondContact ND1-N 3.27Å; H241-G243 VanDerWaalsContact ND1-N 3.15Å; H241-G243 PolarHBondContact O-N 3.06Å; H241-Y244 HydrophobicContact CB-CD2 3.43Å; H241-Y244 VanDerWaalsContact CB-CD2 3.43Å; H241-Y244 HydrophobicContact CB-CE2 4.05Å; H241-Y244 HydrophobicContact CB-CG 4.16Å; H241-Y244 AromaticContact CG-CD2 3.82Å; H241-Y244 AromaticContact ND1-CD2 3.94Å; H241-Y244 CarbonylContact O-C 3.52Å; H241-Y244 WeakPolarHBondContact O-CA 3.46Å; H241-Y244 PolarHBondContact O-N 3.23Å; H241-T245 PolarHBondContact O-N 2.95Å; H241-T245 PolarHBondContact O-OG1 3.21Å; H241-G283 CarbonylContact C-O 3.44Å; H241-G283 WeakPolarHBondContact CA-O 3.26Å; H241-R284 HydrophobicContact CB-CG 4.24Å; H241-Y293 PolarHBondContact CE1-OH 2.65Å; H241-Y293 PolarHBondContact NE2-OH 2.86Å
242	G	98.5	Very high	98.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-54.8	-43.3	-171.2	0	0	0	0	0	114.1	Y244 T245 F246 G283	G242-Y244 PolarHBondContact O-N 3.23Å; G242-T245 PolarHBondContact O-N 3.14Å; G242-F246 PolarHBondContact O-N 2.97Å; G242-G283 PolarHBondContact N-O 3.04Å
243	G	98.5	Very high	98.2	Very high	10 Å²	10	25.2 Å²	25.2	10%	0.103	16%	0.164	C	C	.	.	H	α-helix	trans	-66.5	-35.2	176.3	0	0	0	0	0	113.6	H241 C247	H241-G243 VanDerWaalsContact C-N 3.33Å; H241-G243 PolarHBondContact ND1-N 3.27Å; H241-G243 VanDerWaalsContact ND1-N 3.15Å; H241-G243 PolarHBondContact O-N 3.06Å; G243-C247 PolarHBondContact O-N 2.89Å; G243-C247 PolarHBondContact O-SG 3.45Å
244	Y	98.8	Very high	98.1	Very high	58 Å²	58	26.2 Å²	26.2	23%	0.227	17%	0.169	C	C	.	.	H	α-helix	trans	-77.6	-38.2	178.3	-62.7	-38.3	0	0	0	111.1	V194 R195 F232 A234 H241 G242 C247 G248	V194-Y244 HydrophobicContact CG1-CD1 3.6Å; V194-Y244 HydrophobicContact CG1-CG 3.9Å; R195-Y244 HydrophobicContact CG-CD1 4.04Å; R195-Y244 HydrophobicContact CG-CE1 3.84Å; F232-Y244 WeakPolarHBondContact O-CB 3.47Å; A234-Y244 HydrophobicContact CB-CD2 3.83Å; A234-Y244 HydrophobicContact CB-CE1 4.16Å; A234-Y244 HydrophobicContact CB-CE2 3.52Å; A234-Y244 HydrophobicContact CB-CG 4.37Å; H241-Y244 HydrophobicContact CB-CD2 3.43Å; H241-Y244 VanDerWaalsContact CB-CD2 3.43Å; H241-Y244 HydrophobicContact CB-CE2 4.05Å; H241-Y244 HydrophobicContact CB-CG 4.16Å; H241-Y244 AromaticContact CG-CD2 3.82Å; H241-Y244 AromaticContact ND1-CD2 3.94Å; H241-Y244 CarbonylContact O-C 3.52Å; H241-Y244 WeakPolarHBondContact O-CA 3.46Å; H241-Y244 PolarHBondContact O-N 3.23Å; G242-Y244 PolarHBondContact O-N 3.23Å; Y244-C247 PolarHBondContact O-N 3.39Å; Y244-G248 PolarHBondContact O-N 2.86Å
245	T	98.8	Very high	98	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-54.1	-50.3	168	-62.1	0	0	0	0	111.4	G231 F232 H241 G242 G248 I249 L266 W269 L270	G231-T245 WeakPolarHBondContact CA-OG1 3.2Å; F232-T245 HydrophobicContact CD2-CG2 4.32Å; F232-T245 PolarHBondContact N-OG1 2.94Å; F232-T245 PolarHBondContact O-OG1 3.39Å; H241-T245 PolarHBondContact O-N 2.95Å; H241-T245 PolarHBondContact O-OG1 3.21Å; G242-T245 PolarHBondContact O-N 3.14Å; T245-G248 PolarHBondContact O-N 3.1Å; T245-I249 HydrophobicContact CG2-CD1 3.65Å; T245-I249 HydrophobicContact CG2-CG1 4.43Å; T245-I249 WeakPolarHBondContact O-CD1 3.49Å; T245-I249 VanDerWaalsContact O-CG1 3.27Å; T245-I249 WeakPolarHBondContact O-CG1 3.38Å; T245-I249 PolarHBondContact O-N 3.22Å; T245-L266 HydrophobicContact CG2-CD1 3.76Å; T245-W269 HydrophobicContact CG2-CE3 4.1Å; T245-W269 HydrophobicContact CG2-CZ3 3.68Å; T245-W269 VanDerWaalsContact OG1-CH2 3.31Å; T245-W269 WeakPolarHBondContact OG1-CH2 3.16Å; T245-W269 WeakPolarHBondContact OG1-CZ3 3.22Å; T245-L270 HydrophobicContact CG2-CD2 3.95Å
246	F	98.8	Very high	97.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-56.7	-52	174.1	172.9	-92.9	0	0	0	111.9	Y198 G242 G248 I249 A250 F295 W296 A299 A300 I303 P436	Y198-F246 AromaticContact CE1-CE1 3.94Å; Y198-F246 HydrophobicContact CE1-CE1 3.94Å; Y198-F246 AromaticContact CE2-CE1 3.99Å; Y198-F246 HydrophobicContact CE2-CE1 3.99Å; Y198-F246 HydrophobicContact CE2-CZ 4.44Å; Y198-F246 AromaticContact CZ-CE1 3.58Å; G242-F246 PolarHBondContact O-N 2.97Å; F246-G248 VanDerWaalsContact C-N 3.3Å; F246-G248 PolarHBondContact O-N 2.94Å; F246-I249 PolarHBondContact O-N 3.26Å; F246-A250 HydrophobicContact CE1-CB 4.17Å; F246-A250 HydrophobicContact CE2-CB 4.33Å; F246-A250 HydrophobicContact CZ-CB 4.07Å; F246-A250 WeakPolarHBondContact O-CB 3.37Å; F246-A250 PolarHBondContact O-N 2.96Å; F246-F295 HydrophobicContact CD2-CE1 4.42Å; F246-F295 HydrophobicContact CD2-CZ 4.49Å; F246-F295 HydrophobicContact CE1-CE1 4.19Å; F246-F295 HydrophobicContact CE1-CZ 4.36Å; F246-F295 AromaticContact CE2-CE1 4Å; F246-F295 HydrophobicContact CE2-CE1 4Å; F246-F295 AromaticContact CE2-CZ 3.69Å; F246-F295 HydrophobicContact CE2-CZ 3.69Å; F246-F295 AromaticContact CZ-CE1 3.87Å; F246-F295 HydrophobicContact CZ-CE1 3.87Å; F246-F295 AromaticContact CZ-CZ 3.61Å; F246-F295 HydrophobicContact CZ-CZ 3.61Å; F246-W296 HydrophobicContact CB-CE3 3.89Å; F246-W296 AromaticContact CD1-CE3 3.42Å; F246-W296 HydrophobicContact CD1-CE3 3.42Å; F246-W296 VanDerWaalsContact CD1-CE3 3.42Å; F246-W296 AromaticContact CD1-CZ3 3.36Å; F246-W296 HydrophobicContact CD1-CZ3 3.36Å; F246-W296 HydrophobicContact CD2-CE3 4.4Å; F246-W296 HydrophobicContact CE1-CE3 4.04Å; F246-W296 AromaticContact CE1-CZ3 3.65Å; F246-W296 HydrophobicContact CE1-CZ3 3.65Å; F246-W296 AromaticContact CG-CE3 3.63Å; F246-W296 HydrophobicContact CG-CE3 3.63Å; F246-W296 HydrophobicContact CG-CZ3 4.08Å; F246-A299 HydrophobicContact CD2-CB 3.94Å; F246-A299 HydrophobicContact CE2-CB 3.67Å; F246-A300 HydrophobicContact CB-CB 4.42Å; F246-A300 HydrophobicContact CD2-CB 4.49Å; F246-I303 HydrophobicContact CE2-CD1 4.04Å; F246-P436 VanDerWaalsContact CE2-O 3.29Å; F246-P436 WeakPolarHBondContact CE2-O 3.28Å; F246-P436 WeakPolarHBondContact CZ-O 3.1Å
247	C	98.8	Very high	97.8	Very high	6 Å²	6	29.1 Å²	29.1	4%	0.041	18%	0.181	C	C	.	.	H	α-helix	trans	-57.3	-44.5	-179.3	-69.3	0	0	0	0	111.6	V194 Y198 G243 Y244 C251	V194-C247 HydrophobicContact CG1-CB 3.97Å; V194-C247 HydrophobicContact CG2-CB 4.13Å; Y198-C247 HydrophobicContact CD1-CB 4.42Å; Y198-C247 HydrophobicContact CG-CB 4.14Å; G243-C247 PolarHBondContact O-N 2.89Å; G243-C247 PolarHBondContact O-SG 3.45Å; Y244-C247 PolarHBondContact O-N 3.39Å; C247-C251 WeakPolarHBondContact O-CB 2.99Å; C247-C251 PolarHBondContact O-N 3.08Å
248	G	98.7	Very high	97.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.8	-51.6	178.6	0	0	0	0	0	112.3	Y244 T245 F246 L252	Y244-G248 PolarHBondContact O-N 2.86Å; T245-G248 PolarHBondContact O-N 3.1Å; F246-G248 VanDerWaalsContact C-N 3.3Å; F246-G248 PolarHBondContact O-N 2.94Å; G248-L252 WeakPolarHBondContact O-CB 3.45Å; G248-L252 VanDerWaalsContact O-CG 3.24Å; G248-L252 WeakPolarHBondContact O-CG 3.3Å; G248-L252 PolarHBondContact O-N 2.96Å
249	I	98.1	Very high	97.5	Very high	8 Å²	8	31.5 Å²	31.5	4%	0.041	16%	0.16	C	C	.	.	H	α-helix	trans	-61.5	-54.2	179	-64.9	164.5	0	0	0	110.7	F232 T245 F246 C251 L252 T253 L266 L270 A300 I303	F232-I249 HydrophobicContact CE2-CG1 4.13Å; T245-I249 HydrophobicContact CG2-CD1 3.65Å; T245-I249 HydrophobicContact CG2-CG1 4.43Å; T245-I249 WeakPolarHBondContact O-CD1 3.49Å; T245-I249 VanDerWaalsContact O-CG1 3.27Å; T245-I249 WeakPolarHBondContact O-CG1 3.38Å; T245-I249 PolarHBondContact O-N 3.22Å; F246-I249 PolarHBondContact O-N 3.26Å; I249-C251 VanDerWaalsContact C-N 3.3Å; I249-C251 PolarHBondContact O-N 3.16Å; I249-L252 PolarHBondContact O-N 3.36Å; I249-T253 PolarHBondContact O-N 3.02Å; I249-T253 PolarHBondContact O-OG1 3.44Å; I249-T253 VanDerWaalsContact O-OG1 3.09Å; I249-L266 HydrophobicContact CD1-CD1 4.07Å; I249-L266 HydrophobicContact CD1-CD2 3.74Å; I249-L266 HydrophobicContact CD1-CG 4.24Å; I249-L266 HydrophobicContact CG1-CD1 4.5Å; I249-L266 HydrophobicContact CG1-CD2 3.76Å; I249-L270 HydrophobicContact CD1-CD1 4.28Å; I249-A300 HydrophobicContact CD1-CB 3.69Å; I249-I303 HydrophobicContact CG2-CB 3.95Å; I249-I303 HydrophobicContact CG2-CG2 3.56Å
250	A	98.5	Very high	97.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.8	-41.9	-176.6	0	0	0	0	0	111.3	Y198 F246 T253 L254 I303 I437	Y198-A250 HydrophobicContact CD2-CB 3.74Å; Y198-A250 HydrophobicContact CE2-CB 3.62Å; F246-A250 HydrophobicContact CE1-CB 4.17Å; F246-A250 HydrophobicContact CE2-CB 4.33Å; F246-A250 HydrophobicContact CZ-CB 4.07Å; F246-A250 WeakPolarHBondContact O-CB 3.37Å; F246-A250 PolarHBondContact O-N 2.96Å; A250-T253 PolarHBondContact O-N 2.88Å; A250-L254 WeakPolarHBondContact O-CB 3.09Å; A250-L254 WeakPolarHBondContact O-CG 3.39Å; A250-L254 PolarHBondContact O-N 2.89Å; A250-I303 HydrophobicContact CB-CD1 4.12Å; A250-I437 HydrophobicContact CB-CG2 4.19Å
251	C	98.6	Very high	97.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-66	-45.3	176	-169	0	0	0	0	111.9	A201 I222 C247 I249 T253 L254 L255	A201-C251 VanDerWaalsContact CB-SG 3.6Å; I222-C251 HydrophobicContact CD1-CB 3.79Å; I222-C251 WeakPolarHBondContact CD1-SG 3.33Å; C247-C251 WeakPolarHBondContact O-CB 2.99Å; C247-C251 PolarHBondContact O-N 3.08Å; I249-C251 VanDerWaalsContact C-N 3.3Å; I249-C251 PolarHBondContact O-N 3.16Å; C251-T253 VanDerWaalsContact C-N 3.29Å; C251-T253 PolarHBondContact O-N 3.05Å; C251-L254 PolarHBondContact O-N 3.12Å; C251-L255 VanDerWaalsContact O-CG 3.27Å; C251-L255 WeakPolarHBondContact O-CG 3.05Å; C251-L255 PolarHBondContact O-N 3.42Å; C251-L255 VanDerWaalsContact O-N 3.08Å
252	L	98.3	Very high	97.2	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-61	-40.1	177.7	-72.8	168.4	0	0	0	111.8	A219 I222 I223 F232 G248 I249 L255 G256 R257 E258 A261	A219-L252 HydrophobicContact CB-CD2 3.84Å; I222-L252 HydrophobicContact CB-CD2 4.31Å; I222-L252 HydrophobicContact CB-CG 4.47Å; I222-L252 HydrophobicContact CG2-CD1 3.94Å; I222-L252 HydrophobicContact CG2-CD2 4.22Å; I222-L252 HydrophobicContact CG2-CG 3.86Å; I223-L252 HydrophobicContact CD1-CD1 3.7Å; I223-L252 HydrophobicContact CD1-CD2 4.37Å; I223-L252 HydrophobicContact CG1-CD1 4.48Å; I223-L252 HydrophobicContact CG1-CD2 4.36Å; F232-L252 HydrophobicContact CE1-CD1 4.21Å; F232-L252 HydrophobicContact CZ-CD1 3.93Å; G248-L252 WeakPolarHBondContact O-CB 3.45Å; G248-L252 VanDerWaalsContact O-CG 3.24Å; G248-L252 WeakPolarHBondContact O-CG 3.3Å; G248-L252 PolarHBondContact O-N 2.96Å; I249-L252 PolarHBondContact O-N 3.36Å; L252-L255 CarbonylContact O-C 3.48Å; L252-L255 PolarHBondContact O-N 3.04Å; L252-G256 PolarHBondContact O-N 2.93Å; L252-G256 VanDerWaalsContact O-N 3.12Å; L252-R257 HydrophobicContact CD2-CB 4.21Å; L252-R257 PolarHBondContact O-N 3.17Å; L252-E258 HydrophobicContact CB-CB 4.31Å; L252-E258 PolarHBondContact O-N 3.2Å; L252-A261 HydrophobicContact CD1-CB 4.18Å
253	T	96.9	Very high	96.9	Very high	43 Å²	43	36.3 Å²	36.3	26%	0.264	19%	0.187	S	C	.	.	H	α-helix	trans	-65.1	-43.1	175.6	-57	0	0	0	0	112	I249 A250 C251 L255 G256 I303 I437	I249-T253 PolarHBondContact O-N 3.02Å; I249-T253 PolarHBondContact O-OG1 3.44Å; I249-T253 VanDerWaalsContact O-OG1 3.09Å; A250-T253 PolarHBondContact O-N 2.88Å; C251-T253 VanDerWaalsContact C-N 3.29Å; C251-T253 PolarHBondContact O-N 3.05Å; T253-L255 PolarHBondContact O-N 2.71Å; T253-G256 PolarHBondContact O-N 2.82Å; T253-I303 HydrophobicContact CG2-CG2 4.18Å; T253-I303 VanDerWaalsContact OG1-CG2 3.29Å; T253-I303 WeakPolarHBondContact OG1-CG2 3.34Å; T253-I437 HydrophobicContact CG2-CD1 3.56Å
254	L	97.2	Very high	96.5	Very high	21 Å²	21	37.4 Å²	37.4	11%	0.11	20%	0.195	C	C	.	.	H	α-helix	trans	-60.6	-26.1	174.2	-77.5	176.4	0	0	0	113.3	A201 A202 Q205 A250 C251 I437 Y438	A201-L254 HydrophobicContact CB-CB 4.33Å; A201-L254 HydrophobicContact CB-CD1 4Å; A202-L254 HydrophobicContact CB-CD1 4.05Å; Q205-L254 HydrophobicContact CB-CD2 4.07Å; Q205-L254 HydrophobicContact CG-CB 4.22Å; Q205-L254 HydrophobicContact CG-CD2 4.1Å; Q205-L254 PolarHBondContact NE2-O 2.99Å; A250-L254 WeakPolarHBondContact O-CB 3.09Å; A250-L254 WeakPolarHBondContact O-CG 3.39Å; A250-L254 PolarHBondContact O-N 2.89Å; C251-L254 PolarHBondContact O-N 3.12Å; L254-I437 HydrophobicContact CD1-CG2 3.65Å; L254-I437 HydrophobicContact CD2-CG2 3.68Å; L254-I437 HydrophobicContact CG-CG2 3.53Å; L254-Y438 HydrophobicContact CD1-CE1 4.48Å; L254-Y438 HydrophobicContact CD2-CE1 4.11Å; L254-Y438 HydrophobicContact CD2-CE2 4.36Å; L254-Y438 VanDerWaalsContact CD2-OH 3.3Å; L254-Y438 WeakPolarHBondContact CD2-OH 3.45Å
255	L	96.8	Very high	96.3	Very high	37 Å²	37	35.7 Å²	35.7	19%	0.194	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-4.5	177.4	-61	177.7	0	0	0	112.9	F215 T218 C251 L252 T253 R257	F215-L255 HydrophobicContact CB-CD1 4.23Å; F215-L255 HydrophobicContact CB-CD2 3.61Å; F215-L255 HydrophobicContact CD1-CD2 3.97Å; F215-L255 HydrophobicContact CD2-CD2 3.7Å; F215-L255 HydrophobicContact CE2-CD2 4.38Å; F215-L255 HydrophobicContact CG-CD2 3.47Å; F215-L255 VanDerWaalsContact CG-CD2 3.47Å; T218-L255 HydrophobicContact CG2-CD1 4.13Å; C251-L255 VanDerWaalsContact O-CG 3.27Å; C251-L255 WeakPolarHBondContact O-CG 3.05Å; C251-L255 PolarHBondContact O-N 3.42Å; C251-L255 VanDerWaalsContact O-N 3.08Å; L252-L255 CarbonylContact O-C 3.48Å; L252-L255 PolarHBondContact O-N 3.04Å; T253-L255 PolarHBondContact O-N 2.71Å; L255-R257 HydrophobicContact CB-CB 4.38Å; L255-R257 HydrophobicContact CB-CG 4.05Å; L255-R257 WeakPolarHBondContact O-CG 3.44Å; L255-R257 PolarHBondContact O-N 3.48Å
256	G	95.2	Very high	96.1	Very high	51 Å²	51	35.8 Å²	35.8	53%	0.526	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	27.1	-172.4	0	0	0	0	0	113.1	L252 T253 E258	L252-G256 PolarHBondContact O-N 2.93Å; L252-G256 VanDerWaalsContact O-N 3.12Å; T253-G256 PolarHBondContact O-N 2.82Å; G256-E258 VanDerWaalsContact CA-OE2 3.31Å; G256-E258 WeakPolarHBondContact CA-OE2 3.21Å
257	R	96.5	Very high	95.8	Very high	96 Å²	96	37.1 Å²	37.1	36%	0.362	20%	0.199	S	C	.	.			trans	-117.9	15	-176.2	-57.8	-61.3	-64.4	-70.6	1.2	112.5	A219 E220 L252 L255 K259 L260	A219-R257 HydrophobicContact CB-CB 3.61Å; A219-R257 HydrophobicContact CB-CG 3.76Å; E220-R257 IonicContact OE1-CZ 2.78Å; E220-R257 IonicContact OE1-NH1 3.53Å; E220-R257 PolarHBondContact OE1-NH1 3.29Å; E220-R257 VanDerWaalsContact OE1-NH1 3.16Å; E220-R257 IonicContact OE1-NH2 3.87Å; E220-R257 PolarHBondContact OE1-NH2 2.66Å; E220-R257 IonicContact OE2-NH1 2.81Å; L252-R257 HydrophobicContact CD2-CB 4.21Å; L252-R257 PolarHBondContact O-N 3.17Å; L255-R257 HydrophobicContact CB-CB 4.38Å; L255-R257 HydrophobicContact CB-CG 4.05Å; L255-R257 WeakPolarHBondContact O-CG 3.44Å; L255-R257 PolarHBondContact O-N 3.48Å; R257-K259 PolarHBondContact O-N 2.73Å; R257-K259 VanDerWaalsContact O-N 3.12Å; R257-L260 HydrophobicContact CB-CD1 4.11Å; R257-L260 WeakPolarHBondContact O-CG 3.46Å; R257-L260 PolarHBondContact O-N 2.91Å; R257-L260 VanDerWaalsContact O-N 3.16Å
258	E	93.6	Very high	95.6	Very high	45 Å²	45	41.5 Å²	41.5	21%	0.21	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-56.4	-29.5	179.7	66.7	-71.8	166.8	0	0	113.1	L252 G256 L260 A261 R307	L252-E258 HydrophobicContact CB-CB 4.31Å; L252-E258 PolarHBondContact O-N 3.2Å; G256-E258 VanDerWaalsContact CA-OE2 3.31Å; G256-E258 WeakPolarHBondContact CA-OE2 3.21Å; E258-L260 PolarHBondContact O-N 3.2Å; E258-A261 PolarHBondContact O-N 3.09Å; E258-A261 VanDerWaalsContact O-N 3.08Å; E258-R307 HydrophobicContact CG-CG 4.42Å; E258-R307 PolarHBondContact O-NH1 3.46Å
259	K	92.4	Very high	95.4	Very high	152 Å²	152	41.6 Å²	41.6	66%	0.661	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-59.8	-17.1	179.1	-69.4	-174.7	-179.4	178.7	0	114.5	R257 A261 R307	R257-K259 PolarHBondContact O-N 2.73Å; R257-K259 VanDerWaalsContact O-N 3.12Å; K259-A261 VanDerWaalsContact C-N 3.33Å; K259-R307 VanDerWaalsContact CA-NH1 3.29Å; K259-R307 VanDerWaalsContact N-NH1 3.16Å
260	L	96	Very high	95.3	Very high	76 Å²	76	41.2 Å²	41.2	40%	0.398	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-74.4	-23.7	177.2	-57.9	176.4	0	0	0	113.2	A219 I223 R257 E258	A219-L260 HydrophobicContact CB-CD1 3.89Å; I223-L260 HydrophobicContact CD1-CB 3.62Å; I223-L260 WeakPolarHBondContact CD1-O 3.38Å; I223-L260 HydrophobicContact CG1-CB 3.59Å; I223-L260 HydrophobicContact CG1-CD1 4.21Å; R257-L260 HydrophobicContact CB-CD1 4.11Å; R257-L260 WeakPolarHBondContact O-CG 3.46Å; R257-L260 PolarHBondContact O-N 2.91Å; R257-L260 VanDerWaalsContact O-N 3.16Å; E258-L260 PolarHBondContact O-N 3.2Å
261	A	96.8	Very high	95	Very high	13 Å²	13	43.7 Å²	43.7	11%	0.107	23%	0.23	C	C	.	.	S	Bend	trans	-71.6	141.1	-179.1	0	0	0	0	0	111.1	I223 F232 L252 E258 K259 E263	I223-A261 VanDerWaalsContact CD1-CA 3.49Å; I223-A261 HydrophobicContact CD1-CB 3.97Å; F232-A261 HydrophobicContact CZ-CB 4.04Å; L252-A261 HydrophobicContact CD1-CB 4.18Å; E258-A261 PolarHBondContact O-N 3.09Å; E258-A261 VanDerWaalsContact O-N 3.08Å; K259-A261 VanDerWaalsContact C-N 3.33Å; A261-E263 PolarHBondContact O-N 3.42Å
262	H	95.4	Very high	94.8	Very high	116 Å²	116	46.5 Å²	46.5	54%	0.537	25%	0.25	S	C	.	.			trans	-73.9	92.2	172.9	-172.6	-88.2	0	0	0	109.8	Q226 A264 S265 L266	Q226-H262 PolarHBondContact NE2-O 3.31Å; H262-A264 PolarHBondContact O-N 3.18Å; H262-S265 VanDerWaalsContact ND1-CB 3.26Å; H262-S265 WeakPolarHBondContact ND1-CB 3.36Å; H262-S265 PolarHBondContact ND1-N 3.24Å; H262-S265 PolarHBondContact ND1-OG 3.07Å; H262-S265 PolarHBondContact O-N 3.49Å; H262-S265 PolarHBondContact O-OG 3.29Å; H262-S265 VanDerWaalsContact O-OG 3.05Å; H262-L266 WeakPolarHBondContact O-CB 3.49Å; H262-L266 PolarHBondContact O-N 3.41Å; H262-L266 VanDerWaalsContact O-N 3.15Å
263	E	91.7	Very high	94.7	Very high	30 Å²	30	47.3 Å²	47.3	14%	0.14	25%	0.253	C	S	.	.	H	α-helix	trans	-60.2	-44.1	-169.3	-170	177.2	83.1	0	0	113.3	A261 S265 L266 L267 L304 R307 L308	A261-E263 PolarHBondContact O-N 3.42Å; E263-S265 PolarHBondContact O-N 3.28Å; E263-L266 WeakPolarHBondContact O-CB 3.49Å; E263-L266 PolarHBondContact O-N 3.25Å; E263-L267 WeakPolarHBondContact O-CB 3.17Å; E263-L267 PolarHBondContact O-N 3.43Å; E263-L304 HydrophobicContact CG-CD1 3.94Å; E263-R307 IonicContact OE2-CZ 2.91Å; E263-R307 IonicContact OE2-NE 3.16Å; E263-R307 PolarHBondContact OE2-NE 2.9Å; E263-R307 IonicContact OE2-NH1 2.7Å; E263-R307 IonicContact OE2-NH2 3.22Å; E263-R307 PolarHBondContact OE2-NH2 3.39Å; E263-L308 HydrophobicContact CG-CD2 4.19Å; E263-L308 WeakPolarHBondContact OE1-CD2 3.47Å
264	A	89.8	Confident	94.6	Very high	33 Å²	33	46.9 Å²	46.9	27%	0.273	25%	0.248	S	C	.	.	H	α-helix	trans	-62.4	-45	-177.9	0	0	0	0	0	112.9	H262 L266 R268 L326	H262-A264 PolarHBondContact O-N 3.18Å; A264-L266 VanDerWaalsContact C-N 3.32Å; A264-R268 WeakPolarHBondContact O-CB 3.29Å; A264-R268 PolarHBondContact O-N 2.89Å; A264-R268 VanDerWaalsContact O-N 3.13Å; A264-L326 HydrophobicContact CB-CD2 3.63Å
265	S	95	Very high	94.5	Very high	22 Å²	22	47.4 Å²	47.4	15%	0.154	25%	0.25	C	S	.	.	H	α-helix	trans	-70.1	-34.6	177.1	61.5	0	0	0	0	111.6	Q226 G230 H262 E263 W269	Q226-S265 PolarHBondContact NE2-OG 2.95Å; G230-S265 WeakPolarHBondContact CA-O 3.36Å; H262-S265 VanDerWaalsContact ND1-CB 3.26Å; H262-S265 WeakPolarHBondContact ND1-CB 3.36Å; H262-S265 PolarHBondContact ND1-N 3.24Å; H262-S265 PolarHBondContact ND1-OG 3.07Å; H262-S265 PolarHBondContact O-N 3.49Å; H262-S265 PolarHBondContact O-OG 3.29Å; H262-S265 VanDerWaalsContact O-OG 3.05Å; E263-S265 PolarHBondContact O-N 3.28Å; S265-W269 WeakPolarHBondContact O-CB 3.18Å; S265-W269 PolarHBondContact O-N 2.96Å
266	L	95.1	Very high	94.2	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-65.2	-47.9	178.4	-176.3	62.4	0	0	0	111.5	G230 F232 T245 I249 H262 E263 A264 W269 L270 L304	G230-L266 WeakPolarHBondContact O-CA 3.42Å; G230-L266 VanDerWaalsContact O-CD1 3.3Å; G230-L266 WeakPolarHBondContact O-CD1 3.48Å; F232-L266 HydrophobicContact CD2-CD1 4.21Å; F232-L266 HydrophobicContact CE2-CD1 4.04Å; F232-L266 HydrophobicContact CE2-CD2 4.29Å; T245-L266 HydrophobicContact CG2-CD1 3.76Å; I249-L266 HydrophobicContact CD1-CD1 4.07Å; I249-L266 HydrophobicContact CD1-CD2 3.74Å; I249-L266 HydrophobicContact CD1-CG 4.24Å; I249-L266 HydrophobicContact CG1-CD1 4.5Å; I249-L266 HydrophobicContact CG1-CD2 3.76Å; H262-L266 WeakPolarHBondContact O-CB 3.49Å; H262-L266 PolarHBondContact O-N 3.41Å; H262-L266 VanDerWaalsContact O-N 3.15Å; E263-L266 WeakPolarHBondContact O-CB 3.49Å; E263-L266 PolarHBondContact O-N 3.25Å; A264-L266 VanDerWaalsContact C-N 3.32Å; L266-W269 PolarHBondContact O-N 3.44Å; L266-L270 HydrophobicContact CD1-CD1 4.42Å; L266-L270 HydrophobicContact CD1-CG 4.47Å; L266-L270 HydrophobicContact CG-CD1 4.13Å; L266-L270 WeakPolarHBondContact O-CB 3.25Å; L266-L270 WeakPolarHBondContact O-CG 3.48Å; L266-L270 PolarHBondContact O-N 3.05Å; L266-L304 HydrophobicContact CB-CD2 4.49Å; L266-L304 HydrophobicContact CD2-CD1 3.95Å; L266-L304 HydrophobicContact CD2-CD2 4.08Å; L266-L304 HydrophobicContact CG-CD2 4.07Å
267	L	92.7	Very high	94.1	Very high	29 Å²	29	52.7 Å²	52.7	15%	0.152	25%	0.252	C	S	.	.	H	α-helix	trans	-60.1	-47.6	177	-175	65.1	0	0	0	111.2	E263 W269 L270 S271 Y301 L304	E263-L267 WeakPolarHBondContact O-CB 3.17Å; E263-L267 PolarHBondContact O-N 3.43Å; L267-W269 VanDerWaalsContact C-N 3.3Å; L267-W269 PolarHBondContact O-N 2.82Å; L267-L270 PolarHBondContact O-N 2.91Å; L267-S271 WeakPolarHBondContact O-CB 3.49Å; L267-S271 PolarHBondContact O-N 3.27Å; L267-S271 PolarHBondContact O-OG 3.33Å; L267-S271 VanDerWaalsContact O-OG 3.14Å; L267-Y301 HydrophobicContact CD1-CE1 3.83Å; L267-Y301 HydrophobicContact CD1-CE2 4.2Å; L267-Y301 VanDerWaalsContact CD1-CZ 3.49Å; L267-Y301 VanDerWaalsContact CD1-OH 3.25Å; L267-Y301 WeakPolarHBondContact CD1-OH 3.44Å; L267-L304 HydrophobicContact CB-CD2 4.01Å; L267-L304 HydrophobicContact CD1-CD2 3.99Å
268	R	93.4	Very high	93.9	Very high	97 Å²	97	48.6 Å²	48.6	37%	0.366	24%	0.237	S	C	.	.	H	α-helix	trans	-57.2	-44.1	174.9	-177.2	-166.6	56.5	62.7	-0.9	111.5	E229 A264 S271 S272	E229-R268 PolarHBondContact O-NH2 3.06Å; A264-R268 WeakPolarHBondContact O-CB 3.29Å; A264-R268 PolarHBondContact O-N 2.89Å; A264-R268 VanDerWaalsContact O-N 3.13Å; R268-S271 PolarHBondContact O-OG 3.33Å; R268-S271 VanDerWaalsContact O-OG 3.06Å; R268-S272 WeakPolarHBondContact O-CB 3.35Å; R268-S272 PolarHBondContact O-N 3.01Å; R268-S272 PolarHBondContact O-OG 3.49Å
269	W	95.9	Very high	93.9	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.008	23%	0.229	C	C	.	.	H	α-helix	trans	-64.2	-52.5	-179.6	-174.4	83	0	0	0	110.6	E229 A240 T245 S265 L266 L267 S271 S272 R273	E229-W269 WeakPolarHBondContact O-CB 3.42Å; A240-W269 HydrophobicContact CB-CZ2 3.66Å; T245-W269 HydrophobicContact CG2-CE3 4.1Å; T245-W269 HydrophobicContact CG2-CZ3 3.68Å; T245-W269 VanDerWaalsContact OG1-CH2 3.31Å; T245-W269 WeakPolarHBondContact OG1-CH2 3.16Å; T245-W269 WeakPolarHBondContact OG1-CZ3 3.22Å; S265-W269 WeakPolarHBondContact O-CB 3.18Å; S265-W269 PolarHBondContact O-N 2.96Å; L266-W269 PolarHBondContact O-N 3.44Å; L267-W269 VanDerWaalsContact C-N 3.3Å; L267-W269 PolarHBondContact O-N 2.82Å; W269-S271 PolarHBondContact O-N 3.36Å; W269-S272 WeakPolarHBondContact O-CB 3.4Å; W269-S272 PolarHBondContact O-N 2.79Å; W269-S272 VanDerWaalsContact O-N 3.08Å; W269-R273 HydrophobicContact CD2-CG 4.34Å; W269-R273 HydrophobicContact CE3-CG 4.15Å; W269-R273 HydrophobicContact CH2-CG 4.21Å; W269-R273 HydrophobicContact CZ2-CG 4.42Å; W269-R273 HydrophobicContact CZ3-CG 4.07Å; W269-R273 WeakPolarHBondContact O-CG 3.3Å; W269-R273 PolarHBondContact O-N 2.9Å
270	L	95.6	Very high	94.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-56.5	-46.4	179.6	-74.5	171.1	0	0	0	112.3	T245 I249 L266 L267 S272 R273 Q297 A300 Y301 L304	T245-L270 HydrophobicContact CG2-CD2 3.95Å; I249-L270 HydrophobicContact CD1-CD1 4.28Å; L266-L270 HydrophobicContact CD1-CD1 4.42Å; L266-L270 HydrophobicContact CD1-CG 4.47Å; L266-L270 HydrophobicContact CG-CD1 4.13Å; L266-L270 WeakPolarHBondContact O-CB 3.25Å; L266-L270 WeakPolarHBondContact O-CG 3.48Å; L266-L270 PolarHBondContact O-N 3.05Å; L267-L270 PolarHBondContact O-N 2.91Å; L270-S272 PolarHBondContact O-N 3.37Å; L270-R273 WeakPolarHBondContact O-CB 3.47Å; L270-R273 PolarHBondContact O-N 3.28Å; L270-Q297 VanDerWaalsContact CD2-OE1 3.23Å; L270-A300 HydrophobicContact CD1-CB 4.42Å; L270-A300 HydrophobicContact CD2-CB 3.86Å; L270-Y301 HydrophobicContact CB-CD2 3.7Å; L270-Y301 HydrophobicContact CB-CE2 3.88Å; L270-Y301 HydrophobicContact CD1-CD2 4.39Å; L270-L304 HydrophobicContact CD1-CD2 3.81Å
271	S	92.6	Very high	94.2	Very high	52 Å²	52	35.8 Å²	35.8	36%	0.364	18%	0.179	S	C	.	.	H	α-helix	trans	-64.8	-30.4	178.7	64.7	0	0	0	0	112.4	L267 R268 W269 R273	L267-S271 WeakPolarHBondContact O-CB 3.49Å; L267-S271 PolarHBondContact O-N 3.27Å; L267-S271 PolarHBondContact O-OG 3.33Å; L267-S271 VanDerWaalsContact O-OG 3.14Å; R268-S271 PolarHBondContact O-OG 3.33Å; R268-S271 VanDerWaalsContact O-OG 3.06Å; W269-S271 PolarHBondContact O-N 3.36Å; S271-R273 PolarHBondContact O-N 3.31Å
272	S	94	Very high	94.2	Very high	59 Å²	59	35.5 Å²	35.5	41%	0.413	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	5.5	175.8	-54.6	0	0	0	0	113.8	R268 W269 L270	R268-S272 WeakPolarHBondContact O-CB 3.35Å; R268-S272 PolarHBondContact O-N 3.01Å; R268-S272 PolarHBondContact O-OG 3.49Å; W269-S272 WeakPolarHBondContact O-CB 3.4Å; W269-S272 PolarHBondContact O-N 2.79Å; W269-S272 VanDerWaalsContact O-N 3.08Å; L270-S272 PolarHBondContact O-N 3.37Å
273	R	96.1	Very high	94.3	Very high	19 Å²	19	30 Å²	30	7%	0.072	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-16.8	175.8	-56.4	-62.4	77.9	147.6	-2.6	113.2	W269 L270 S271 M275 F281 N282 T285 Q297	W269-R273 HydrophobicContact CD2-CG 4.34Å; W269-R273 HydrophobicContact CE3-CG 4.15Å; W269-R273 HydrophobicContact CH2-CG 4.21Å; W269-R273 HydrophobicContact CZ2-CG 4.42Å; W269-R273 HydrophobicContact CZ3-CG 4.07Å; W269-R273 WeakPolarHBondContact O-CG 3.3Å; W269-R273 PolarHBondContact O-N 2.9Å; L270-R273 WeakPolarHBondContact O-CB 3.47Å; L270-R273 PolarHBondContact O-N 3.28Å; S271-R273 PolarHBondContact O-N 3.31Å; R273-M275 PolarHBondContact O-N 2.89Å; R273-F281 VanDerWaalsContact C-CD1 3.43Å; R273-F281 HydrophobicContact CB-CD1 3.84Å; R273-F281 HydrophobicContact CB-CE1 4.42Å; R273-F281 WeakPolarHBondContact O-CA 3.5Å; R273-F281 WeakPolarHBondContact O-CD1 3.38Å; R273-N282 WeakPolarHBondContact CA-OD1 3.43Å; R273-N282 WeakPolarHBondContact CD-OD1 3.31Å; R273-N282 PolarHBondContact O-N 3.01Å; R273-N282 PolarHBondContact O-OD1 3.23Å; R273-T285 PolarHBondContact NH1-OG1 3.23Å; R273-T285 PolarHBondContact NH2-OG1 2.75Å; R273-Q297 HydrophobicContact CB-CG 4.25Å; R273-Q297 VanDerWaalsContact CG-NE2 3.33Å
274	Q	95.7	Very high	94.5	Very high	34 Å²	34	32.3 Å²	32.3	16%	0.159	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-74.9	123	172.8	-161.3	170.5	15.4	0	0	108.8	G279 F281 D350	Q274-G279 PolarHBondContact NE2-O 3.27Å; Q274-F281 HydrophobicContact CB-CD1 3.93Å; Q274-F281 HydrophobicContact CB-CE1 3.47Å; Q274-F281 VanDerWaalsContact CB-CE1 3.47Å; Q274-F281 HydrophobicContact CB-CE2 4.42Å; Q274-F281 HydrophobicContact CB-CZ 3.75Å; Q274-F281 HydrophobicContact CG-CD1 4.44Å; Q274-F281 HydrophobicContact CG-CE1 4.07Å; Q274-F281 HydrophobicContact CG-CE2 4.12Å; Q274-F281 HydrophobicContact CG-CZ 3.89Å; Q274-D350 PolarHBondContact NE2-O 2.97Å
275	M	94.4	Very high	94.7	Very high	31 Å²	31	32.8 Å²	32.8	15%	0.153	16%	0.157	C	C	.	.			trans	-80	125.1	-178.4	-57.5	-62.4	-68.2	0	0	108.9	R273 Y277 E278 G279 G280 N282 V289	R273-M275 PolarHBondContact O-N 2.89Å; M275-Y277 PolarHBondContact O-N 3Å; M275-E278 HydrophobicContact CB-CB 4.24Å; M275-E278 VanDerWaalsContact CB-OE2 3.23Å; M275-E278 WeakPolarHBondContact CB-OE2 3.47Å; M275-G279 VanDerWaalsContact O-CA 3.31Å; M275-G279 WeakPolarHBondContact O-CA 3.31Å; M275-G279 PolarHBondContact O-N 2.81Å; M275-G280 WeakPolarHBondContact CB-O 3.29Å; M275-G280 PolarHBondContact N-O 3.23Å; M275-N282 HydrophobicContact CG-CB 4.34Å; M275-N282 HydrophobicContact SD-CB 3.98Å; M275-N282 PolarHBondContact SD-ND2 2.98Å; M275-V289 HydrophobicContact CG-CB 4.07Å; M275-V289 HydrophobicContact CG-CG2 4.32Å
276	R	90.6	Very high	94.5	Very high	195 Å²	195	38.3 Å²	38.3	74%	0.736	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-35.4	-169.8	-64.8	-177.8	-179.5	-179.8	-1.2	113.6	Y24	Y24-R276 HydrophobicContact CD1-CB 4.4Å; Y24-R276 HydrophobicContact CG-CB 4.08Å
277	Y	92	Very high	94.5	Very high	5 Å²	5	43 Å²	43	2%	0.02	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-44.8	-178.9	-174.1	-95.6	0	0	0	111.3	I20 R25 E43 V46 M275	I20-Y277 HydrophobicContact CG2-CD2 4.47Å; I20-Y277 HydrophobicContact CG2-CE2 3.6Å; I20-Y277 WeakPolarHBondContact CG2-OH 3.41Å; R25-Y277 HydrophobicContact CB-CD2 4.47Å; R25-Y277 HydrophobicContact CG-CD2 3.64Å; R25-Y277 HydrophobicContact CG-CE2 3.46Å; R25-Y277 VanDerWaalsContact CG-CE2 3.46Å; R25-Y277 HydrophobicContact CG-CG 4.5Å; R25-Y277 PolarHBondContact NH2-OH 3.13Å; E43-Y277 HydrophobicContact CB-CD1 3.76Å; E43-Y277 HydrophobicContact CB-CE1 3.71Å; E43-Y277 HydrophobicContact CG-CD1 3.61Å; E43-Y277 HydrophobicContact CG-CE1 4.11Å; E43-Y277 HydrophobicContact CG-CG 4.19Å; E43-Y277 WeakPolarHBondContact O-CE1 3.48Å; V46-Y277 HydrophobicContact CB-CE1 4.41Å; V46-Y277 HydrophobicContact CG1-CE1 4.3Å; M275-Y277 PolarHBondContact O-N 3Å
278	E	93	Very high	94.7	Very high	9 Å²	9	43.2 Å²	43.2	4%	0.042	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-27.4	-175	-56	95.4	132.4	0	0	113.2	Q39 V46 M275 G280 V289 Y357	Q39-E278 PolarHBondContact NE2-OE1 3.48Å; V46-E278 HydrophobicContact CG2-CB 4.2Å; V46-E278 HydrophobicContact CG2-CG 3.74Å; M275-E278 HydrophobicContact CB-CB 4.24Å; M275-E278 VanDerWaalsContact CB-OE2 3.23Å; M275-E278 WeakPolarHBondContact CB-OE2 3.47Å; E278-G280 PolarHBondContact O-N 3.29Å; E278-V289 HydrophobicContact CB-CB 4.31Å; E278-V289 HydrophobicContact CB-CG1 4.21Å; E278-V289 HydrophobicContact CB-CG2 4.23Å; E278-V289 HydrophobicContact CG-CB 4.39Å; E278-V289 HydrophobicContact CG-CG1 4Å; E278-Y357 HydrophobicContact CB-CD2 4.24Å; E278-Y357 HydrophobicContact CB-CE2 4.28Å; E278-Y357 WeakPolarHBondContact O-CB 3.16Å; E278-Y357 WeakPolarHBondContact O-CD2 3.37Å
279	G	93.3	Very high	94.8	Very high	5 Å²	5	38.6 Å²	38.6	5%	0.052	19%	0.189	C	C	.	.			trans	79.9	-20.2	-175.9	0	0	0	0	0	114.9	Q274 M275 L354	Q274-G279 PolarHBondContact NE2-O 3.27Å; M275-G279 VanDerWaalsContact O-CA 3.31Å; M275-G279 WeakPolarHBondContact O-CA 3.31Å; M275-G279 PolarHBondContact O-N 2.81Å; G279-L354 WeakPolarHBondContact O-CA 3.46Å; G279-L354 PolarHBondContact O-N 3.17Å
280	G	96.3	Very high	94.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-77.3	-178.3	172.9	0	0	0	0	0	113.8	M275 E278 Y357	M275-G280 WeakPolarHBondContact CB-O 3.29Å; M275-G280 PolarHBondContact N-O 3.23Å; E278-G280 PolarHBondContact O-N 3.29Å; G280-Y357 VanDerWaalsContact CA-CD1 3.49Å
281	F	98	Very high	94.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-108.8	148.8	179.4	-77.9	-86.8	0	0	0	112.9	R273 Q274 V289 D290 Q297 F349 L354	R273-F281 VanDerWaalsContact C-CD1 3.43Å; R273-F281 HydrophobicContact CB-CD1 3.84Å; R273-F281 HydrophobicContact CB-CE1 4.42Å; R273-F281 WeakPolarHBondContact O-CA 3.5Å; R273-F281 WeakPolarHBondContact O-CD1 3.38Å; Q274-F281 HydrophobicContact CB-CD1 3.93Å; Q274-F281 HydrophobicContact CB-CE1 3.47Å; Q274-F281 VanDerWaalsContact CB-CE1 3.47Å; Q274-F281 HydrophobicContact CB-CE2 4.42Å; Q274-F281 HydrophobicContact CB-CZ 3.75Å; Q274-F281 HydrophobicContact CG-CD1 4.44Å; Q274-F281 HydrophobicContact CG-CE1 4.07Å; Q274-F281 HydrophobicContact CG-CE2 4.12Å; Q274-F281 HydrophobicContact CG-CZ 3.89Å; F281-V289 WeakPolarHBondContact O-CA 3.36Å; F281-D290 PolarHBondContact O-N 2.8Å; F281-Q297 HydrophobicContact CB-CB 4.05Å; F281-Q297 HydrophobicContact CB-CG 3.85Å; F281-Q297 HydrophobicContact CD1-CB 3.45Å; F281-Q297 VanDerWaalsContact CD1-CB 3.45Å; F281-Q297 HydrophobicContact CD1-CG 3.77Å; F281-Q297 HydrophobicContact CD2-CB 4.27Å; F281-Q297 HydrophobicContact CE1-CB 3.9Å; F281-Q297 HydrophobicContact CG-CB 3.66Å; F281-Q297 HydrophobicContact CG-CG 3.98Å; F281-Q297 HydrophobicContact CZ-CB 4.48Å; F281-F349 AromaticContact CE2-CD2 3.91Å; F281-F349 HydrophobicContact CE2-CD2 3.91Å; F281-F349 HydrophobicContact CE2-CE2 4.26Å; F281-F349 HydrophobicContact CE2-CG 4.43Å; F281-F349 HydrophobicContact CZ-CB 3.99Å; F281-F349 AromaticContact CZ-CD2 3.85Å; F281-F349 HydrophobicContact CZ-CD2 3.85Å; F281-F349 AromaticContact CZ-CG 3.94Å; F281-F349 HydrophobicContact CZ-CG 3.94Å; F281-L354 HydrophobicContact CD2-CD1 3.92Å; F281-L354 HydrophobicContact CD2-CD2 4.13Å; F281-L354 HydrophobicContact CE2-CD1 4.31Å; F281-L354 HydrophobicContact CE2-CD2 3.9Å
282	N	97.6	Very high	95.2	Very high	6 Å²	6	37.1 Å²	37.1	3%	0.032	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-100.1	165.6	161.7	72	10.2	0	0	0	111.8	R273 M275 R284 K287 L288 Q297	R273-N282 WeakPolarHBondContact CA-OD1 3.43Å; R273-N282 WeakPolarHBondContact CD-OD1 3.31Å; R273-N282 PolarHBondContact O-N 3.01Å; R273-N282 PolarHBondContact O-OD1 3.23Å; M275-N282 HydrophobicContact CG-CB 4.34Å; M275-N282 HydrophobicContact SD-CB 3.98Å; M275-N282 PolarHBondContact SD-ND2 2.98Å; N282-R284 VanDerWaalsContact CG-O 3.27Å; N282-R284 PolarHBondContact ND2-O 2.91Å; N282-R284 VanDerWaalsContact ND2-O 3.07Å; N282-R284 PolarHBondContact OD1-O 3.35Å; N282-K287 WeakPolarHBondContact CB-O 3.27Å; N282-K287 PolarHBondContact ND2-O 3.31Å; N282-L288 VanDerWaalsContact CB-O 3.28Å; N282-L288 WeakPolarHBondContact CB-O 3.44Å; N282-Q297 PolarHBondContact O-NE2 3.42Å
283	G	97.3	Very high	95.4	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.01	16%	0.162	C	C	.	.	S	Bend	trans	-88.1	-26.3	180	0	0	0	0	0	114.8	H241 G242 Y293	H241-G283 CarbonylContact C-O 3.44Å; H241-G283 WeakPolarHBondContact CA-O 3.26Å; G242-G283 PolarHBondContact N-O 3.04Å; G283-Y293 VanDerWaalsContact CA-CD2 3.47Å; G283-Y293 VanDerWaalsContact N-CE2 3.31Å
284	R	96.6	Very high	95.5	Very high	79 Å²	79	34.7 Å²	34.7	30%	0.298	16%	0.159	S	C	.	.	S	Bend	trans	-150.9	159.8	-168.7	-69.4	-174.9	-83.9	173.8	-6.2	109.7	E239 A240 H241 N282 N286 K287	E239-R284 VanDerWaalsContact OE2-CD 3.25Å; E239-R284 WeakPolarHBondContact OE2-CD 3.41Å; E239-R284 IonicContact OE2-NH1 3.55Å; E239-R284 PolarHBondContact OE2-NH1 3.18Å; E239-R284 VanDerWaalsContact OE2-NH1 3.12Å; A240-R284 WeakPolarHBondContact O-CG 3.49Å; H241-R284 HydrophobicContact CB-CG 4.24Å; N282-R284 VanDerWaalsContact CG-O 3.27Å; N282-R284 PolarHBondContact ND2-O 2.91Å; N282-R284 VanDerWaalsContact ND2-O 3.07Å; N282-R284 PolarHBondContact OD1-O 3.35Å; R284-N286 PolarHBondContact O-N 2.87Å; R284-K287 HydrophobicContact CB-CB 4.34Å; R284-K287 HydrophobicContact CB-CG 3.74Å; R284-K287 PolarHBondContact O-N 3.28Å
285	T	92.9	Very high	95.6	Very high	43 Å²	43	33.1 Å²	33.1	26%	0.264	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	136.1	174.2	-51.7	0	0	0	0	109.3	E229 R273 K287	E229-T285 PolarHBondContact OE1-OG1 3.12Å; R273-T285 PolarHBondContact NH1-OG1 3.23Å; R273-T285 PolarHBondContact NH2-OG1 2.75Å; T285-K287 PolarHBondContact O-N 2.71Å
286	N	91.3	Very high	95.8	Very high	137 Å²	137	33 Å²	33	73%	0.733	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	25.1	178.4	-54.1	-35.4	0	0	0	115.2	R284	R284-N286 PolarHBondContact O-N 2.87Å
287	K	95.3	Very high	96.2	Very high	101 Å²	101	23.8 Å²	23.8	44%	0.439	12%	0.115	S	C	.	.			trans	-105.6	153	166.9	-64.7	-58.1	-176.7	-173.2	0	110.8	N282 R284 T285	N282-K287 WeakPolarHBondContact CB-O 3.27Å; N282-K287 PolarHBondContact ND2-O 3.31Å; R284-K287 HydrophobicContact CB-CB 4.34Å; R284-K287 HydrophobicContact CB-CG 3.74Å; R284-K287 PolarHBondContact O-N 3.28Å; T285-K287 PolarHBondContact O-N 2.71Å
288	L	96.1	Very high	96.4	Very high	33 Å²	33	23.5 Å²	23.5	17%	0.173	11%	0.114	C	C	.	.			trans	-61	156.5	176.3	-55.2	176.9	0	0	0	111.2	E38 Q39 N282 K372	E38-L288 HydrophobicContact CB-CD1 4.43Å; E38-L288 HydrophobicContact CB-CD2 4.25Å; Q39-L288 HydrophobicContact CB-CD2 4.25Å; N282-L288 VanDerWaalsContact CB-O 3.28Å; N282-L288 WeakPolarHBondContact CB-O 3.44Å; L288-K372 HydrophobicContact CB-CD 4.34Å; L288-K372 HydrophobicContact CD1-CD 4.18Å
289	V	96.3	Very high	96.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-53	144.9	165.4	70.3	0	0	0	0	110.7	T42 M275 E278 F281 Y357 K372 P373	T42-V289 HydrophobicContact CG2-CG1 3.8Å; M275-V289 HydrophobicContact CG-CB 4.07Å; M275-V289 HydrophobicContact CG-CG2 4.32Å; E278-V289 HydrophobicContact CB-CB 4.31Å; E278-V289 HydrophobicContact CB-CG1 4.21Å; E278-V289 HydrophobicContact CB-CG2 4.23Å; E278-V289 HydrophobicContact CG-CB 4.39Å; E278-V289 HydrophobicContact CG-CG1 4Å; F281-V289 WeakPolarHBondContact O-CA 3.36Å; V289-Y357 HydrophobicContact CG1-CE2 4.03Å; V289-Y357 WeakPolarHBondContact CG1-OH 3.41Å; V289-Y357 HydrophobicContact CG2-CE1 3.86Å; V289-Y357 HydrophobicContact CG2-CE2 3.82Å; V289-Y357 VanDerWaalsContact CG2-CZ 3.45Å; V289-Y357 WeakPolarHBondContact CG2-OH 3.23Å; V289-K372 WeakPolarHBondContact O-CG 3.47Å; V289-P373 HydrophobicContact CG1-CG 4.16Å
290	D	97.1	Very high	96.8	Very high	17 Å²	17	22.9 Å²	22.9	9%	0.091	11%	0.109	C	C	.	.			trans	-146.7	134.3	175.7	-166.9	-55.6	0	0	0	111.2	F281 C292 Y293 D371 K372 H399	F281-D290 PolarHBondContact O-N 2.8Å; D290-C292 VanDerWaalsContact C-N 3.26Å; D290-C292 PolarHBondContact O-N 3.24Å; D290-C292 PolarHBondContact OD1-N 3.25Å; D290-C292 VanDerWaalsContact OD1-N 3.08Å; D290-C292 PolarHBondContact OD1-SG 2.92Å; D290-Y293 HydrophobicContact CB-CD2 3.69Å; D290-Y293 HydrophobicContact CB-CE2 4.05Å; D290-Y293 PolarHBondContact O-N 3.5Å; D290-Y293 VanDerWaalsContact O-N 3.11Å; D290-D371 CarbonylContact C-O 3.47Å; D290-D371 WeakPolarHBondContact CA-O 3.35Å; D290-K372 IonicContact OD2-NZ 3.26Å; D290-K372 PolarHBondContact OD2-NZ 3.13Å; D290-H399 IonicContact OD1-CD2 2.73Å; D290-H399 IonicContact OD1-NE2 2.65Å
291	G	96.8	Very high	96.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-35.9	-176.6	0	0	0	0	0	113.3	Y293 S294 D371 T403	G291-Y293 VanDerWaalsContact C-N 3.3Å; G291-Y293 PolarHBondContact O-N 2.64Å; G291-S294 WeakPolarHBondContact O-CB 3.47Å; G291-S294 PolarHBondContact O-N 3.12Å; G291-S294 VanDerWaalsContact O-N 3.12Å; G291-S294 PolarHBondContact O-OG 3.49Å; G291-D371 PolarHBondContact N-O 3.44Å; G291-T403 VanDerWaalsContact C-OG1 3.3Å; G291-T403 PolarHBondContact O-OG1 3.47Å
292	C	97.9	Very high	96.3	Very high	5 Å²	5	23.6 Å²	23.6	3%	0.034	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-27	-179.3	69	0	0	0	0	113.3	D290 S294 F295 W296 Y398	D290-C292 VanDerWaalsContact C-N 3.26Å; D290-C292 PolarHBondContact O-N 3.24Å; D290-C292 PolarHBondContact OD1-N 3.25Å; D290-C292 VanDerWaalsContact OD1-N 3.08Å; D290-C292 PolarHBondContact OD1-SG 2.92Å; C292-S294 PolarHBondContact O-N 3.01Å; C292-F295 PolarHBondContact O-N 3.32Å; C292-F295 VanDerWaalsContact O-N 3.07Å; C292-W296 PolarHBondContact O-N 2.89Å; C292-Y398 HydrophobicContact CB-CE1 3.55Å
293	Y	98.5	Very high	96.1	Very high	27 Å²	27	23.6 Å²	23.6	11%	0.106	11%	0.113	C	C	.	.	H	α-helix	trans	-71.6	-12	175.6	-70.4	-64	0	0	0	113.2	H241 G283 D290 G291 F295 W296 Q297	H241-Y293 PolarHBondContact CE1-OH 2.65Å; H241-Y293 PolarHBondContact NE2-OH 2.86Å; G283-Y293 VanDerWaalsContact CA-CD2 3.47Å; G283-Y293 VanDerWaalsContact N-CE2 3.31Å; D290-Y293 HydrophobicContact CB-CD2 3.69Å; D290-Y293 HydrophobicContact CB-CE2 4.05Å; D290-Y293 PolarHBondContact O-N 3.5Å; D290-Y293 VanDerWaalsContact O-N 3.11Å; G291-Y293 VanDerWaalsContact C-N 3.3Å; G291-Y293 PolarHBondContact O-N 2.64Å; Y293-F295 PolarHBondContact O-N 3.12Å; Y293-W296 HydrophobicContact CD1-CB 3.83Å; Y293-W296 HydrophobicContact CD1-CG 4.37Å; Y293-W296 HydrophobicContact CE1-CB 4.33Å; Y293-W296 PolarHBondContact O-N 3.48Å; Y293-Q297 HydrophobicContact CD1-CG 4.07Å; Y293-Q297 HydrophobicContact CG-CG 4.33Å; Y293-Q297 WeakPolarHBondContact O-CB 3.28Å; Y293-Q297 PolarHBondContact O-N 3.47Å
294	S	98.2	Very high	95.8	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-53.4	-35.2	164.8	-48	0	0	0	0	111.1	G291 C292 A298 G406	G291-S294 WeakPolarHBondContact O-CB 3.47Å; G291-S294 PolarHBondContact O-N 3.12Å; G291-S294 VanDerWaalsContact O-N 3.12Å; G291-S294 PolarHBondContact O-OG 3.49Å; C292-S294 PolarHBondContact O-N 3.01Å; S294-A298 WeakPolarHBondContact O-CB 3.48Å; S294-G406 WeakPolarHBondContact O-CA 2.94Å
295	F	98.7	Very high	95.2	Very high	1 Å²	1	20.2 Å²	20.2	0%	0.004	10%	0.1	C	C	.	.	H	α-helix	trans	-87.4	-57.9	171.1	171.4	-102.5	0	0	0	111.9	F246 C292 Y293 Q297 A298 A299 Y402 I409 I434 N439	F246-F295 HydrophobicContact CD2-CE1 4.42Å; F246-F295 HydrophobicContact CD2-CZ 4.49Å; F246-F295 HydrophobicContact CE1-CE1 4.19Å; F246-F295 HydrophobicContact CE1-CZ 4.36Å; F246-F295 AromaticContact CE2-CE1 4Å; F246-F295 HydrophobicContact CE2-CE1 4Å; F246-F295 AromaticContact CE2-CZ 3.69Å; F246-F295 HydrophobicContact CE2-CZ 3.69Å; F246-F295 AromaticContact CZ-CE1 3.87Å; F246-F295 HydrophobicContact CZ-CE1 3.87Å; F246-F295 AromaticContact CZ-CZ 3.61Å; F246-F295 HydrophobicContact CZ-CZ 3.61Å; C292-F295 PolarHBondContact O-N 3.32Å; C292-F295 VanDerWaalsContact O-N 3.07Å; Y293-F295 PolarHBondContact O-N 3.12Å; F295-Q297 VanDerWaalsContact C-N 3.28Å; F295-Q297 PolarHBondContact O-N 3.32Å; F295-A298 PolarHBondContact O-N 2.8Å; F295-A299 HydrophobicContact CD2-CB 3.87Å; F295-A299 HydrophobicContact CE2-CB 3.57Å; F295-A299 HydrophobicContact CG-CB 4.5Å; F295-A299 HydrophobicContact CZ-CB 3.95Å; F295-A299 WeakPolarHBondContact O-CB 3.2Å; F295-A299 PolarHBondContact O-N 2.7Å; F295-Y402 HydrophobicContact CB-CD1 4.18Å; F295-Y402 WeakPolarHBondContact CB-O 3.4Å; F295-Y402 AromaticContact CD1-CD1 3.39Å; F295-Y402 HydrophobicContact CD1-CD1 3.39Å; F295-Y402 AromaticContact CD1-CE1 3.74Å; F295-Y402 HydrophobicContact CD1-CE1 3.74Å; F295-Y402 HydrophobicContact CE1-CD1 4Å; F295-Y402 AromaticContact CE1-CE1 3.87Å; F295-Y402 HydrophobicContact CE1-CE1 3.87Å; F295-Y402 AromaticContact CG-CD1 3.91Å; F295-Y402 HydrophobicContact CG-CD1 3.91Å; F295-I409 HydrophobicContact CD2-CG1 4.43Å; F295-I434 HydrophobicContact CD2-CD1 4.12Å; F295-I434 HydrophobicContact CE2-CD1 3.9Å; F295-N439 HydrophobicContact CE1-CB 4.3Å; F295-N439 HydrophobicContact CE2-CB 3.82Å; F295-N439 HydrophobicContact CZ-CB 3.54Å
296	W	98.6	Very high	94.8	Very high	30 Å²	30	19.4 Å²	19.4	11%	0.114	9%	0.093	C	C	.	.	H	α-helix	trans	-58.3	-39	-168	-61.4	116.5	0	0	0	113	F246 C292 Y293 A300 Y398 Y402	F246-W296 HydrophobicContact CB-CE3 3.89Å; F246-W296 AromaticContact CD1-CE3 3.42Å; F246-W296 HydrophobicContact CD1-CE3 3.42Å; F246-W296 VanDerWaalsContact CD1-CE3 3.42Å; F246-W296 AromaticContact CD1-CZ3 3.36Å; F246-W296 HydrophobicContact CD1-CZ3 3.36Å; F246-W296 HydrophobicContact CD2-CE3 4.4Å; F246-W296 HydrophobicContact CE1-CE3 4.04Å; F246-W296 AromaticContact CE1-CZ3 3.65Å; F246-W296 HydrophobicContact CE1-CZ3 3.65Å; F246-W296 AromaticContact CG-CE3 3.63Å; F246-W296 HydrophobicContact CG-CE3 3.63Å; F246-W296 HydrophobicContact CG-CZ3 4.08Å; C292-W296 PolarHBondContact O-N 2.89Å; Y293-W296 HydrophobicContact CD1-CB 3.83Å; Y293-W296 HydrophobicContact CD1-CG 4.37Å; Y293-W296 HydrophobicContact CE1-CB 4.33Å; Y293-W296 PolarHBondContact O-N 3.48Å; W296-A300 VanDerWaalsContact O-CB 3.27Å; W296-A300 WeakPolarHBondContact O-CB 3.39Å; W296-A300 PolarHBondContact O-N 2.71Å; W296-Y398 HydrophobicContact CZ2-CE2 4.49Å; W296-Y398 PolarHBondContact NE1-OH 3.11Å; W296-Y402 AromaticContact CE2-CE1 3.95Å; W296-Y402 HydrophobicContact CH2-CD1 4.44Å; W296-Y402 AromaticContact CH2-CE1 3.56Å; W296-Y402 HydrophobicContact CH2-CE1 3.56Å; W296-Y402 AromaticContact CH2-CZ 3.72Å; W296-Y402 AromaticContact CZ2-CD1 3.91Å; W296-Y402 HydrophobicContact CZ2-CD1 3.91Å; W296-Y402 HydrophobicContact CZ2-CD2 4.5Å; W296-Y402 AromaticContact CZ2-CE1 3.34Å; W296-Y402 HydrophobicContact CZ2-CE1 3.34Å; W296-Y402 HydrophobicContact CZ2-CE2 4.04Å; W296-Y402 HydrophobicContact CZ2-CG 4.44Å; W296-Y402 AromaticContact CZ2-CZ 3.41Å; W296-Y402 VanDerWaalsContact CZ2-CZ 3.41Å; W296-Y402 HydrophobicContact CZ3-CE1 4.3Å
297	Q	98.1	Very high	94.2	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-81.8	-47.2	176.7	-58.9	-69.3	18.1	0	0	111.9	L270 R273 F281 N282 Y293 F295 A299 A300 Y301	L270-Q297 VanDerWaalsContact CD2-OE1 3.23Å; R273-Q297 HydrophobicContact CB-CG 4.25Å; R273-Q297 VanDerWaalsContact CG-NE2 3.33Å; F281-Q297 HydrophobicContact CB-CB 4.05Å; F281-Q297 HydrophobicContact CB-CG 3.85Å; F281-Q297 HydrophobicContact CD1-CB 3.45Å; F281-Q297 VanDerWaalsContact CD1-CB 3.45Å; F281-Q297 HydrophobicContact CD1-CG 3.77Å; F281-Q297 HydrophobicContact CD2-CB 4.27Å; F281-Q297 HydrophobicContact CE1-CB 3.9Å; F281-Q297 HydrophobicContact CG-CB 3.66Å; F281-Q297 HydrophobicContact CG-CG 3.98Å; F281-Q297 HydrophobicContact CZ-CB 4.48Å; N282-Q297 PolarHBondContact O-NE2 3.42Å; Y293-Q297 HydrophobicContact CD1-CG 4.07Å; Y293-Q297 HydrophobicContact CG-CG 4.33Å; Y293-Q297 WeakPolarHBondContact O-CB 3.28Å; Y293-Q297 PolarHBondContact O-N 3.47Å; F295-Q297 VanDerWaalsContact C-N 3.28Å; F295-Q297 PolarHBondContact O-N 3.32Å; Q297-A299 PolarHBondContact O-N 3.33Å; Q297-A300 WeakPolarHBondContact O-CB 3.16Å; Q297-A300 PolarHBondContact O-N 2.95Å; Q297-Y301 WeakPolarHBondContact O-CB 3.46Å; Q297-Y301 PolarHBondContact O-N 3.03Å
298	A	96.9	Very high	93.1	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-65.2	-38.8	-176.2	0	0	0	0	0	112.3	S294 F295 Y301 Q302 F349 L354 I409	S294-A298 WeakPolarHBondContact O-CB 3.48Å; F295-A298 PolarHBondContact O-N 2.8Å; A298-Y301 WeakPolarHBondContact O-CB 3.21Å; A298-Y301 PolarHBondContact O-N 2.75Å; A298-Q302 WeakPolarHBondContact O-CB 3.48Å; A298-Q302 PolarHBondContact O-N 2.64Å; A298-F349 HydrophobicContact CB-CE1 4.09Å; A298-F349 HydrophobicContact CB-CE2 4.32Å; A298-F349 HydrophobicContact CB-CZ 3.75Å; A298-L354 HydrophobicContact CB-CD2 4.05Å; A298-I409 HydrophobicContact CB-CB 4.17Å; A298-I409 HydrophobicContact CB-CG2 3.72Å
299	A	97.2	Very high	91.7	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-68	-41.2	176.3	0	0	0	0	0	111.5	F246 F295 Q297 Y301 Q302 I303 I409 P436	F246-A299 HydrophobicContact CD2-CB 3.94Å; F246-A299 HydrophobicContact CE2-CB 3.67Å; F295-A299 HydrophobicContact CD2-CB 3.87Å; F295-A299 HydrophobicContact CE2-CB 3.57Å; F295-A299 HydrophobicContact CG-CB 4.5Å; F295-A299 HydrophobicContact CZ-CB 3.95Å; F295-A299 WeakPolarHBondContact O-CB 3.2Å; F295-A299 PolarHBondContact O-N 2.7Å; Q297-A299 PolarHBondContact O-N 3.33Å; A299-Y301 VanDerWaalsContact C-N 3.26Å; A299-Y301 PolarHBondContact O-N 3.16Å; A299-Q302 PolarHBondContact O-N 3.16Å; A299-I303 WeakPolarHBondContact O-CD1 3.48Å; A299-I303 VanDerWaalsContact O-CG1 3.23Å; A299-I303 WeakPolarHBondContact O-CG1 3.1Å; A299-I303 PolarHBondContact O-N 2.79Å; A299-I409 HydrophobicContact CB-CD1 4.36Å; A299-I409 HydrophobicContact CB-CG1 4.16Å; A299-P436 HydrophobicContact CB-CB 4.4Å
300	A	96.7	Very high	89.9	Confident	0 Å²	0	18 Å²	18	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-57.7	-42.5	171.3	0	0	0	0	0	111.4	F246 I249 L270 W296 Q297 L304	F246-A300 HydrophobicContact CB-CB 4.42Å; F246-A300 HydrophobicContact CD2-CB 4.49Å; I249-A300 HydrophobicContact CD1-CB 3.69Å; L270-A300 HydrophobicContact CD1-CB 4.42Å; L270-A300 HydrophobicContact CD2-CB 3.86Å; W296-A300 VanDerWaalsContact O-CB 3.27Å; W296-A300 WeakPolarHBondContact O-CB 3.39Å; W296-A300 PolarHBondContact O-N 2.71Å; Q297-A300 WeakPolarHBondContact O-CB 3.16Å; Q297-A300 PolarHBondContact O-N 2.95Å; A300-L304 WeakPolarHBondContact O-CB 3.48Å; A300-L304 PolarHBondContact O-N 3.23Å; A300-L304 VanDerWaalsContact O-N 3.13Å
301	Y	92.5	Very high	87.8	Confident	6 Å²	6	22 Å²	22	2%	0.024	10%	0.096	C	C	.	.	H	α-helix	trans	-61.3	-51.6	174.9	-144.5	-68.5	0	0	0	111.5	L267 L270 Q297 A298 A299 I303 L304 C305 M348 F349 F413	L267-Y301 HydrophobicContact CD1-CE1 3.83Å; L267-Y301 HydrophobicContact CD1-CE2 4.2Å; L267-Y301 VanDerWaalsContact CD1-CZ 3.49Å; L267-Y301 VanDerWaalsContact CD1-OH 3.25Å; L267-Y301 WeakPolarHBondContact CD1-OH 3.44Å; L270-Y301 HydrophobicContact CB-CD2 3.7Å; L270-Y301 HydrophobicContact CB-CE2 3.88Å; L270-Y301 HydrophobicContact CD1-CD2 4.39Å; Q297-Y301 WeakPolarHBondContact O-CB 3.46Å; Q297-Y301 PolarHBondContact O-N 3.03Å; A298-Y301 WeakPolarHBondContact O-CB 3.21Å; A298-Y301 PolarHBondContact O-N 2.75Å; A299-Y301 VanDerWaalsContact C-N 3.26Å; A299-Y301 PolarHBondContact O-N 3.16Å; Y301-I303 PolarHBondContact O-N 2.94Å; Y301-L304 PolarHBondContact O-N 3.15Å; Y301-C305 WeakPolarHBondContact CD1-SG 3.2Å; Y301-C305 WeakPolarHBondContact CE1-SG 3.49Å; Y301-C305 WeakPolarHBondContact O-CB 3.35Å; Y301-C305 PolarHBondContact O-N 3.48Å; Y301-C305 PolarHBondContact O-SG 2.82Å; Y301-M348 HydrophobicContact CD1-CB 4.03Å; Y301-M348 HydrophobicContact CE1-CB 3.38Å; Y301-M348 HydrophobicContact CE1-CG 3.84Å; Y301-M348 WeakPolarHBondContact CE1-O 3.49Å; Y301-M348 PolarHBondContact OH-O 3.02Å; Y301-F349 AromaticContact CD1-CD1 3.95Å; Y301-F349 HydrophobicContact CD1-CD1 3.95Å; Y301-F349 HydrophobicContact CD2-CB 4.42Å; Y301-F349 HydrophobicContact CD2-CD1 4.3Å; Y301-F349 HydrophobicContact CE2-CB 4.41Å; Y301-F349 AromaticContact CG-CD1 3.8Å; Y301-F349 HydrophobicContact CG-CD1 3.8Å; Y301-F413 HydrophobicContact CD1-CE2 4.25Å; Y301-F413 HydrophobicContact CD1-CZ 4.22Å
302	Q	91.9	Very high	85.5	Confident	10 Å²	10	23.4 Å²	23.4	5%	0.047	11%	0.105	C	C	.	.	H	α-helix	trans	-55.5	-47.9	178.6	176.3	66.1	18.4	0	0	111.6	A298 A299 L304 C305 Q306 I409 F413 D414 P436	A298-Q302 WeakPolarHBondContact O-CB 3.48Å; A298-Q302 PolarHBondContact O-N 2.64Å; A299-Q302 PolarHBondContact O-N 3.16Å; Q302-L304 VanDerWaalsContact C-N 3.34Å; Q302-L304 PolarHBondContact O-N 3.05Å; Q302-C305 PolarHBondContact O-N 2.87Å; Q302-Q306 HydrophobicContact CG-CG 4.42Å; Q302-Q306 VanDerWaalsContact NE2-CD 3.25Å; Q302-Q306 WeakPolarHBondContact O-CG 3.11Å; Q302-Q306 PolarHBondContact O-N 2.78Å; Q302-I409 HydrophobicContact CB-CG2 4.08Å; Q302-F413 HydrophobicContact CB-CD2 4.25Å; Q302-F413 HydrophobicContact CB-CE2 4.15Å; Q302-D414 PolarHBondContact NE2-O 3.23Å; Q302-P436 HydrophobicContact CG-CB 4.17Å; Q302-P436 HydrophobicContact CG-CG 4.2Å
303	I	93.1	Very high	82.7	Confident	6 Å²	6	32.9 Å²	32.9	3%	0.031	15%	0.149	C	C	.	.	H	α-helix	trans	-61.4	-44.3	-179.9	-64.1	159.5	0	0	0	110.8	F246 I249 A250 T253 A299 Y301 C305 R307 P436 I437	F246-I303 HydrophobicContact CE2-CD1 4.04Å; I249-I303 HydrophobicContact CG2-CB 3.95Å; I249-I303 HydrophobicContact CG2-CG2 3.56Å; A250-I303 HydrophobicContact CB-CD1 4.12Å; T253-I303 HydrophobicContact CG2-CG2 4.18Å; T253-I303 VanDerWaalsContact OG1-CG2 3.29Å; T253-I303 WeakPolarHBondContact OG1-CG2 3.34Å; A299-I303 WeakPolarHBondContact O-CD1 3.48Å; A299-I303 VanDerWaalsContact O-CG1 3.23Å; A299-I303 WeakPolarHBondContact O-CG1 3.1Å; A299-I303 PolarHBondContact O-N 2.79Å; Y301-I303 PolarHBondContact O-N 2.94Å; I303-C305 VanDerWaalsContact C-N 3.32Å; I303-C305 PolarHBondContact O-N 3.45Å; I303-R307 PolarHBondContact O-N 2.67Å; I303-P436 HydrophobicContact CD1-CB 4.32Å; I303-P436 HydrophobicContact CG1-CB 3.9Å; I303-P436 HydrophobicContact CG1-CG 4.04Å; I303-I437 HydrophobicContact CD1-CG1 3.7Å; I303-I437 HydrophobicContact CG1-CG1 3.93Å
304	L	90.8	Very high	79.6	Confident	8 Å²	8	40.2 Å²	40.2	4%	0.042	18%	0.178	C	C	.	.	H	α-helix	trans	-61.9	-41.7	178	-173.2	61.5	0	0	0	111.8	E263 L266 L267 L270 A300 Y301 Q302 R307 L308	E263-L304 HydrophobicContact CG-CD1 3.94Å; L266-L304 HydrophobicContact CB-CD2 4.49Å; L266-L304 HydrophobicContact CD2-CD1 3.95Å; L266-L304 HydrophobicContact CD2-CD2 4.08Å; L266-L304 HydrophobicContact CG-CD2 4.07Å; L267-L304 HydrophobicContact CB-CD2 4.01Å; L267-L304 HydrophobicContact CD1-CD2 3.99Å; L270-L304 HydrophobicContact CD1-CD2 3.81Å; A300-L304 WeakPolarHBondContact O-CB 3.48Å; A300-L304 PolarHBondContact O-N 3.23Å; A300-L304 VanDerWaalsContact O-N 3.13Å; Y301-L304 PolarHBondContact O-N 3.15Å; Q302-L304 VanDerWaalsContact C-N 3.34Å; Q302-L304 PolarHBondContact O-N 3.05Å; L304-R307 WeakPolarHBondContact O-CB 3.32Å; L304-R307 PolarHBondContact O-N 2.92Å; L304-L308 PolarHBondContact O-N 3.47Å
305	C	85	Confident	76.5	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-76.4	-37.8	-175.2	-68.8	0	0	0	0	114	Y301 Q302 I303 R307 L308 S309 M348 F413 P415	Y301-C305 WeakPolarHBondContact CD1-SG 3.2Å; Y301-C305 WeakPolarHBondContact CE1-SG 3.49Å; Y301-C305 WeakPolarHBondContact O-CB 3.35Å; Y301-C305 PolarHBondContact O-N 3.48Å; Y301-C305 PolarHBondContact O-SG 2.82Å; Q302-C305 PolarHBondContact O-N 2.87Å; I303-C305 VanDerWaalsContact C-N 3.32Å; I303-C305 PolarHBondContact O-N 3.45Å; C305-R307 PolarHBondContact O-N 2.94Å; C305-L308 PolarHBondContact O-N 3.2Å; C305-S309 PolarHBondContact O-N 3.38Å; C305-S309 VanDerWaalsContact O-N 3.08Å; C305-S309 PolarHBondContact O-OG 2.94Å; C305-M348 HydrophobicContact CB-CE 3.94Å; C305-M348 HydrophobicContact CB-SD 3.38Å; C305-M348 WeakPolarHBondContact CB-SD 3.45Å; C305-M348 PolarHBondContact SG-SD 3.19Å; C305-F413 HydrophobicContact CB-CZ 4.17Å; C305-P415 HydrophobicContact CB-CG 4.21Å
306	Q	83.3	Confident	73.7	Confident	26 Å²	26	46.3 Å²	46.3	12%	0.121	22%	0.215	C	C	.	.	H	α-helix	trans	-54.8	-44.2	171.8	-76	178.4	-40.5	0	0	110.4	Q302 S309 Y310 E417	Q302-Q306 HydrophobicContact CG-CG 4.42Å; Q302-Q306 VanDerWaalsContact NE2-CD 3.25Å; Q302-Q306 WeakPolarHBondContact O-CG 3.11Å; Q302-Q306 PolarHBondContact O-N 2.78Å; Q306-S309 VanDerWaalsContact O-CB 3.3Å; Q306-S309 WeakPolarHBondContact O-CB 3.28Å; Q306-S309 PolarHBondContact O-N 3.46Å; Q306-Y310 WeakPolarHBondContact O-CD2 3.45Å; Q306-Y310 PolarHBondContact O-N 3.2Å; Q306-E417 PolarHBondContact NE2-OE1 2.8Å
307	R	78.4	Confident	70.7	Confident	37 Å²	37	52.9 Å²	52.9	14%	0.14	25%	0.245	C	C	.	.	H	α-helix	trans	-61.7	-49.2	175.1	173.8	-159.3	156.5	156.6	-8.9	112.9	E258 K259 E263 I303 L304 C305 S309 Y310 Q311	E258-R307 HydrophobicContact CG-CG 4.42Å; E258-R307 PolarHBondContact O-NH1 3.46Å; K259-R307 VanDerWaalsContact CA-NH1 3.29Å; K259-R307 VanDerWaalsContact N-NH1 3.16Å; E263-R307 IonicContact OE2-CZ 2.91Å; E263-R307 IonicContact OE2-NE 3.16Å; E263-R307 PolarHBondContact OE2-NE 2.9Å; E263-R307 IonicContact OE2-NH1 2.7Å; E263-R307 IonicContact OE2-NH2 3.22Å; E263-R307 PolarHBondContact OE2-NH2 3.39Å; I303-R307 PolarHBondContact O-N 2.67Å; L304-R307 WeakPolarHBondContact O-CB 3.32Å; L304-R307 PolarHBondContact O-N 2.92Å; C305-R307 PolarHBondContact O-N 2.94Å; R307-S309 PolarHBondContact O-N 3.24Å; R307-S309 VanDerWaalsContact O-N 3.15Å; R307-Y310 PolarHBondContact O-N 3.49Å; R307-Q311 VanDerWaalsContact NE-NE2 3.13Å; R307-Q311 PolarHBondContact O-N 3.44Å
308	L	72.9	Confident	67.5	Low	16 Å²	16	55 Å²	55	8%	0.084	26%	0.26	C	S	.	.	H	α-helix	trans	-53.8	-35.3	179.5	-76.5	173.7	0	0	0	111.5	E263 L304 C305 Q311 F321 M348	E263-L308 HydrophobicContact CG-CD2 4.19Å; E263-L308 WeakPolarHBondContact OE1-CD2 3.47Å; L304-L308 PolarHBondContact O-N 3.47Å; C305-L308 PolarHBondContact O-N 3.2Å; L308-Q311 PolarHBondContact O-N 3.21Å; L308-F321 HydrophobicContact CD2-CE2 4.08Å; L308-F321 HydrophobicContact CD2-CZ 4.49Å; L308-M348 HydrophobicContact CD1-CE 4.33Å
309	S	67.6	Low	64.5	Low	16 Å²	16	57.4 Å²	57.4	11%	0.112	28%	0.276	C	S	.	.	H	α-helix	trans	-69.8	-40.1	178.2	-52.2	0	0	0	0	113.5	C305 Q306 R307 Q311 S312 L316 P415	C305-S309 PolarHBondContact O-N 3.38Å; C305-S309 VanDerWaalsContact O-N 3.08Å; C305-S309 PolarHBondContact O-OG 2.94Å; Q306-S309 VanDerWaalsContact O-CB 3.3Å; Q306-S309 WeakPolarHBondContact O-CB 3.28Å; Q306-S309 PolarHBondContact O-N 3.46Å; R307-S309 PolarHBondContact O-N 3.24Å; R307-S309 VanDerWaalsContact O-N 3.15Å; S309-Q311 VanDerWaalsContact C-N 3.3Å; S309-Q311 PolarHBondContact O-N 3.13Å; S309-S312 PolarHBondContact O-N 3.46Å; S309-S312 PolarHBondContact O-OG 3.34Å; S309-L316 WeakPolarHBondContact OG-CD1 3.39Å; S309-L316 VanDerWaalsContact OG-CD2 3.32Å; S309-L316 WeakPolarHBondContact OG-CD2 3.4Å; S309-P415 WeakPolarHBondContact OG-CB 3.48Å
310	Y	58	Low	61.5	Low	174 Å²	174	65.2 Å²	65.2	68%	0.682	31%	0.31	S	S	*	.	H	α-helix	trans	-70.4	-24.1	176.6	-77.8	-69.4	0	0	0	113.4	Q306 R307	Q306-Y310 WeakPolarHBondContact O-CD2 3.45Å; Q306-Y310 PolarHBondContact O-N 3.2Å; R307-Y310 PolarHBondContact O-N 3.49Å
311	Q	53.1	Low	58.7	Low	101 Å²	101	69.9 Å²	69.9	47%	0.472	33%	0.33	S	S	.	.	H	α-helix	trans	-77.8	-23	178.3	-68.6	-169.2	2.5	0	0	113.2	R307 L308 S309	R307-Q311 VanDerWaalsContact NE-NE2 3.13Å; R307-Q311 PolarHBondContact O-N 3.44Å; L308-Q311 PolarHBondContact O-N 3.21Å; S309-Q311 VanDerWaalsContact C-N 3.3Å; S309-Q311 PolarHBondContact O-N 3.13Å
312	S	47.9	Very low	56.3	Low	28 Å²	28	73 Å²	73	20%	0.196	35%	0.347	C	S	.	.			trans	-98.9	100.9	-179.5	63.2	0	0	0	0	110.4	S309 Y314	S309-S312 PolarHBondContact O-N 3.46Å; S309-S312 PolarHBondContact O-OG 3.34Å; S312-Y314 WeakPolarHBondContact CB-O 3.39Å; S312-Y314 PolarHBondContact O-N 3.26Å; S312-Y314 VanDerWaalsContact O-N 3.08Å; S312-Y314 PolarHBondContact OG-O 3.46Å
313	E	39.2	Very low	54	Low	204 Å²	204	74 Å²	74	95%	0.953	35%	0.353	S	S	*	.	S	Bend	trans	-61.1	-3.9	155.9	-82.8	-176.2	162	0	0	112.1
314	Y	33.9	Very low	51.7	Low	181 Å²	181	74.4 Å²	74.4	71%	0.71	36%	0.357	S	S	*	.	S	Bend	trans	-93.6	123	163.8	-70.4	-83.5	0	0	0	109.1	S312 L316	S312-Y314 WeakPolarHBondContact CB-O 3.39Å; S312-Y314 PolarHBondContact O-N 3.26Å; S312-Y314 VanDerWaalsContact O-N 3.08Å; S312-Y314 PolarHBondContact OG-O 3.46Å; Y314-L316 PolarHBondContact O-N 3.08Å
315	S	33.4	Very low	49.7	Very low	68 Å²	68	77.6 Å²	77.6	48%	0.476	38%	0.384	S	S	.	.			trans	-41.1	142.4	178.2	75	0	0	0	0	112.1	F317 S318 C319	S315-F317 PolarHBondContact O-N 3.07Å; S315-S318 CarbonylContact O-C 3.52Å; S315-S318 WeakPolarHBondContact O-CA 3.41Å; S315-S318 PolarHBondContact O-N 3.33Å; S315-S318 PolarHBondContact O-OG 2.86Å; S315-S318 PolarHBondContact OG-OG 3.29Å; S315-C319 PolarHBondContact O-N 3.41Å
316	L	39.9	Very low	47.9	Very low	61 Å²	61	80.1 Å²	80.1	32%	0.319	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-52.7	-27.1	172.8	-84.4	95.5	0	0	0	112.7	S309 Y314 S318 C319 M348 P415	S309-L316 WeakPolarHBondContact OG-CD1 3.39Å; S309-L316 VanDerWaalsContact OG-CD2 3.32Å; S309-L316 WeakPolarHBondContact OG-CD2 3.4Å; Y314-L316 PolarHBondContact O-N 3.08Å; L316-S318 PolarHBondContact O-N 3.42Å; L316-S318 VanDerWaalsContact O-N 3.1Å; L316-C319 PolarHBondContact O-N 3.38Å; L316-M348 HydrophobicContact CD2-CE 3.98Å; L316-P415 HydrophobicContact CD2-CB 4.07Å; L316-P415 HydrophobicContact CD2-CG 4.1Å
317	F	34.1	Very low	46.1	Very low	168 Å²	168	82.3 Å²	82.3	74%	0.737	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-62.4	-11.2	172.7	-70.9	-80.1	0	0	0	114.1	S315	S315-F317 PolarHBondContact O-N 3.07Å
318	S	32.1	Very low	44.7	Very low	45 Å²	45	85 Å²	85	32%	0.315	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-129.6	9.3	177.1	63.6	0	0	0	0	113.1	S315 L316 K320	S315-S318 CarbonylContact O-C 3.52Å; S315-S318 WeakPolarHBondContact O-CA 3.41Å; S315-S318 PolarHBondContact O-N 3.33Å; S315-S318 PolarHBondContact O-OG 2.86Å; S315-S318 PolarHBondContact OG-OG 3.29Å; L316-S318 PolarHBondContact O-N 3.42Å; L316-S318 VanDerWaalsContact O-N 3.1Å; S318-K320 PolarHBondContact O-N 2.91Å
319	C	32.7	Very low	44.1	Very low	50 Å²	50	94.7 Å²	94.7	34%	0.338	46%	0.464	S	S	.	.			trans	-70.8	82.3	171.6	-166.2	0	0	0	0	107.6	S315 L316 F321	S315-C319 PolarHBondContact O-N 3.41Å; L316-C319 PolarHBondContact O-N 3.38Å; C319-F321 PolarHBondContact O-N 2.82Å
320	K	34.4	Very low	43.4	Very low	165 Å²	165	97.9 Å²	97.9	72%	0.717	49%	0.491	S	S	*	.			trans	-65.9	66.9	168.8	-66.2	177.8	-179.8	178.2	0	107.9	S318 D322	S318-K320 PolarHBondContact O-N 2.91Å; K320-D322 PolarHBondContact O-N 3.15Å
321	F	39.3	Very low	43.1	Very low	97 Å²	97	93.6 Å²	93.6	43%	0.425	48%	0.48	S	S	.	.			trans	-63.4	108.3	160.9	-120.1	-86.2	0	0	0	104.9	L308 C319 I323	L308-F321 HydrophobicContact CD2-CE2 4.08Å; L308-F321 HydrophobicContact CD2-CZ 4.49Å; C319-F321 PolarHBondContact O-N 2.82Å; F321-I323 PolarHBondContact O-N 2.78Å
322	D	41.5	Very low	43	Very low	71 Å²	71	91.9 Å²	91.9	38%	0.38	47%	0.472	S	S	.	.			trans	-69.2	88.7	171.9	-166.9	-10	0	0	0	107.2	K320 S324 A325 R339	K320-D322 PolarHBondContact O-N 3.15Å; D322-S324 PolarHBondContact O-N 2.81Å; D322-S324 WeakPolarHBondContact OD1-CB 3.35Å; D322-S324 PolarHBondContact OD1-N 2.78Å; D322-S324 VanDerWaalsContact OD1-N 3.12Å; D322-S324 PolarHBondContact OD1-OG 3.42Å; D322-S324 PolarHBondContact OD2-OG 2.8Å; D322-A325 VanDerWaalsContact O-CB 3.28Å; D322-A325 WeakPolarHBondContact O-CB 3.26Å; D322-A325 PolarHBondContact O-N 2.93Å; D322-R339 IonicContact OD2-NH2 2.71Å
323	I	43.6	Very low	43.2	Very low	31 Å²	31	95.5 Å²	95.5	16%	0.159	49%	0.493	C	S	.	.	G	3₁₀ helix	trans	-55.7	-21.2	177.8	-60	169.5	0	0	0	109.5	F321 A325 L326 F327 Y335 I343 M346	F321-I323 PolarHBondContact O-N 2.78Å; I323-A325 PolarHBondContact O-N 2.86Å; I323-A325 VanDerWaalsContact O-N 3.14Å; I323-L326 HydrophobicContact CB-CD1 4.42Å; I323-L326 HydrophobicContact CG2-CD1 3.99Å; I323-L326 VanDerWaalsContact O-CB 3.29Å; I323-L326 WeakPolarHBondContact O-CB 3.37Å; I323-L326 PolarHBondContact O-N 2.95Å; I323-F327 HydrophobicContact CG2-CD2 4.42Å; I323-F327 HydrophobicContact CG2-CE2 3.52Å; I323-F327 HydrophobicContact CG2-CZ 4.1Å; I323-F327 WeakPolarHBondContact O-CD2 2.78Å; I323-F327 WeakPolarHBondContact O-CE2 3.42Å; I323-Y335 HydrophobicContact CB-CE1 3.87Å; I323-Y335 WeakPolarHBondContact CB-OH 3.42Å; I323-Y335 WeakPolarHBondContact CD1-OH 3.44Å; I323-Y335 HydrophobicContact CG2-CE1 4.29Å; I323-Y335 HydrophobicContact CG2-CE2 4.17Å; I323-I343 HydrophobicContact CD1-CG2 3.93Å; I323-M346 HydrophobicContact CD1-CE 4.18Å; I323-M346 HydrophobicContact CD1-SD 3.73Å
324	S	44.7	Very low	43.7	Very low	16 Å²	16	89.2 Å²	89.2	11%	0.112	47%	0.469	C	S	.	.	G	3₁₀ helix	trans	-53.3	-36.1	171.1	81.3	0	0	0	0	112	D322 L326 F327 Q332	D322-S324 PolarHBondContact O-N 2.81Å; D322-S324 WeakPolarHBondContact OD1-CB 3.35Å; D322-S324 PolarHBondContact OD1-N 2.78Å; D322-S324 VanDerWaalsContact OD1-N 3.12Å; D322-S324 PolarHBondContact OD1-OG 3.42Å; D322-S324 PolarHBondContact OD2-OG 2.8Å; S324-L326 PolarHBondContact O-N 3.02Å; S324-F327 PolarHBondContact O-N 2.92Å; S324-Q332 WeakPolarHBondContact O-CG 3.32Å; S324-Q332 PolarHBondContact O-NE2 2.92Å
325	A	49.6	Very low	44.2	Very low	74 Å²	74	83 Å²	83	61%	0.612	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-65.9	-20.2	177.8	0	0	0	0	0	113.7	D322 I323 F327	D322-A325 VanDerWaalsContact O-CB 3.28Å; D322-A325 WeakPolarHBondContact O-CB 3.26Å; D322-A325 PolarHBondContact O-N 2.93Å; I323-A325 PolarHBondContact O-N 2.86Å; I323-A325 VanDerWaalsContact O-N 3.14Å; A325-F327 VanDerWaalsContact C-N 3.32Å
326	L	47.1	Very low	44.9	Very low	53 Å²	53	82.8 Å²	82.8	28%	0.277	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-78.3	-18.5	174.7	-61.2	173.1	0	0	0	112.6	A264 I323 S324	A264-L326 HydrophobicContact CB-CD2 3.63Å; I323-L326 HydrophobicContact CB-CD1 4.42Å; I323-L326 HydrophobicContact CG2-CD1 3.99Å; I323-L326 VanDerWaalsContact O-CB 3.29Å; I323-L326 WeakPolarHBondContact O-CB 3.37Å; I323-L326 PolarHBondContact O-N 2.95Å; S324-L326 PolarHBondContact O-N 3.02Å
327	F	45	Very low	45.2	Very low	73 Å²	73	84.2 Å²	84.2	32%	0.32	46%	0.458	S	S	.	.	S	Bend	trans	-91.4	143.3	179.4	-61	-81.3	0	0	0	111.2	I323 S324 A325 L331 Q332 Y335	I323-F327 HydrophobicContact CG2-CD2 4.42Å; I323-F327 HydrophobicContact CG2-CE2 3.52Å; I323-F327 HydrophobicContact CG2-CZ 4.1Å; I323-F327 WeakPolarHBondContact O-CD2 2.78Å; I323-F327 WeakPolarHBondContact O-CE2 3.42Å; S324-F327 PolarHBondContact O-N 2.92Å; A325-F327 VanDerWaalsContact C-N 3.32Å; F327-L331 HydrophobicContact CB-CB 3.74Å; F327-L331 HydrophobicContact CD1-CB 4.38Å; F327-L331 HydrophobicContact CD1-CD1 4.36Å; F327-L331 HydrophobicContact CG-CB 4.31Å; F327-Q332 PolarHBondContact O-NE2 3.13Å; F327-Y335 AromaticContact CD2-CD2 3.99Å; F327-Y335 HydrophobicContact CD2-CD2 3.99Å; F327-Y335 HydrophobicContact CD2-CG 4.01Å; F327-Y335 HydrophobicContact CE2-CD1 4.27Å; F327-Y335 AromaticContact CE2-CD2 3.24Å; F327-Y335 HydrophobicContact CE2-CD2 3.24Å; F327-Y335 HydrophobicContact CE2-CE1 4.44Å; F327-Y335 AromaticContact CE2-CE2 3.46Å; F327-Y335 HydrophobicContact CE2-CE2 3.46Å; F327-Y335 VanDerWaalsContact CE2-CE2 3.46Å; F327-Y335 AromaticContact CE2-CG 3.68Å; F327-Y335 HydrophobicContact CE2-CG 3.68Å; F327-Y335 AromaticContact CZ-CD2 3.71Å; F327-Y335 HydrophobicContact CZ-CD2 3.71Å; F327-Y335 AromaticContact CZ-CE2 3.84Å; F327-Y335 HydrophobicContact CZ-CE2 3.84Å
328	P	48.2	Very low	45.6	Very low	93 Å²	93	83.1 Å²	83.1	60%	0.604	45%	0.453	S	S	*	.			trans	-48.5	144.2	165.8	-24.7	31.8	0	0	0	110.8	A330 L331 Q332	P328-A330 PolarHBondContact O-N 2.96Å; P328-L331 PolarHBondContact O-N 3.09Å; P328-Q332 PolarHBondContact O-N 3.35Å
329	R	59.9	Low	45.7	Very low	219 Å²	219	89.6 Å²	89.6	83%	0.826	47%	0.47	S	S	*	.	H	α-helix	trans	-45.4	-34.8	-175.6	-78.6	-176.2	178.6	171.9	-0.1	114.7	L331 Q332	R329-L331 VanDerWaalsContact C-N 3.25Å; R329-L331 PolarHBondContact O-N 2.77Å; R329-Q332 PolarHBondContact O-N 3.18Å
330	A	54.3	Low	45.7	Very low	83 Å²	83	92.7 Å²	92.7	69%	0.686	48%	0.484	S	S	*	.	H	α-helix	trans	-63.4	-27.1	178.1	0	0	0	0	0	114.2	P328	P328-A330 PolarHBondContact O-N 2.96Å
331	L	50.6	Low	45.9	Very low	85 Å²	85	89.2 Å²	89.2	45%	0.445	49%	0.486	S	S	.	.	H	α-helix	trans	-97.4	-11.4	-179.2	-74.2	169	0	0	0	112.8	F327 P328 R329 T334 Y335	F327-L331 HydrophobicContact CB-CB 3.74Å; F327-L331 HydrophobicContact CD1-CB 4.38Å; F327-L331 HydrophobicContact CD1-CD1 4.36Å; F327-L331 HydrophobicContact CG-CB 4.31Å; P328-L331 PolarHBondContact O-N 3.09Å; R329-L331 VanDerWaalsContact C-N 3.25Å; R329-L331 PolarHBondContact O-N 2.77Å; L331-T334 PolarHBondContact O-N 3.49Å; L331-Y335 WeakPolarHBondContact O-CB 3.49Å; L331-Y335 PolarHBondContact O-N 2.92Å
332	Q	51.7	Low	45.6	Very low	65 Å²	65	92.5 Å²	92.5	30%	0.304	50%	0.503	S	S	.	.	H	α-helix	trans	-62.4	-42.4	177.8	-82.8	172.6	3.7	0	0	112.6	S324 F327 P328 R329 Y335 S336	S324-Q332 WeakPolarHBondContact O-CG 3.32Å; S324-Q332 PolarHBondContact O-NE2 2.92Å; F327-Q332 PolarHBondContact O-NE2 3.13Å; P328-Q332 PolarHBondContact O-N 3.35Å; R329-Q332 PolarHBondContact O-N 3.18Å; Q332-Y335 PolarHBondContact O-N 2.94Å; Q332-S336 PolarHBondContact O-N 3.34Å; Q332-S336 PolarHBondContact O-OG 3.33Å
333	T	52.1	Low	45.3	Very low	103 Å²	103	92 Å²	92	63%	0.632	50%	0.499	S	S	*	.	H	α-helix	trans	-65.5	-39	177.1	24.9	0	0	0	0	112.5	S336 S337	T333-S336 WeakPolarHBondContact CA-OG 3.47Å; T333-S336 PolarHBondContact O-OG 3.24Å; T333-S337 PolarHBondContact O-N 3.44Å
334	T	49.1	Very low	45	Very low	73 Å²	73	94 Å²	94	45%	0.448	51%	0.51	S	S	.	.	H	α-helix	trans	-68.7	-40.7	175.6	-48.4	0	0	0	0	110.8	L331 S337 F338	L331-T334 PolarHBondContact O-N 3.49Å; T334-S337 PolarHBondContact O-N 2.81Å; T334-S337 PolarHBondContact O-OG 3.27Å; T334-F338 HydrophobicContact CG2-CD2 4.38Å; T334-F338 HydrophobicContact CG2-CE2 3.98Å; T334-F338 WeakPolarHBondContact O-CD2 3.39Å
335	Y	44.8	Very low	44.9	Very low	51 Å²	51	97.1 Å²	97.1	20%	0.2	53%	0.532	C	S	.	.	H	α-helix	trans	-67.4	-39.2	178.9	-167	-96.1	0	0	0	112.8	I323 F327 L331 Q332 S337 F338	I323-Y335 HydrophobicContact CB-CE1 3.87Å; I323-Y335 WeakPolarHBondContact CB-OH 3.42Å; I323-Y335 WeakPolarHBondContact CD1-OH 3.44Å; I323-Y335 HydrophobicContact CG2-CE1 4.29Å; I323-Y335 HydrophobicContact CG2-CE2 4.17Å; F327-Y335 AromaticContact CD2-CD2 3.99Å; F327-Y335 HydrophobicContact CD2-CD2 3.99Å; F327-Y335 HydrophobicContact CD2-CG 4.01Å; F327-Y335 HydrophobicContact CE2-CD1 4.27Å; F327-Y335 AromaticContact CE2-CD2 3.24Å; F327-Y335 HydrophobicContact CE2-CD2 3.24Å; F327-Y335 HydrophobicContact CE2-CE1 4.44Å; F327-Y335 AromaticContact CE2-CE2 3.46Å; F327-Y335 HydrophobicContact CE2-CE2 3.46Å; F327-Y335 VanDerWaalsContact CE2-CE2 3.46Å; F327-Y335 AromaticContact CE2-CG 3.68Å; F327-Y335 HydrophobicContact CE2-CG 3.68Å; F327-Y335 AromaticContact CZ-CD2 3.71Å; F327-Y335 HydrophobicContact CZ-CD2 3.71Å; F327-Y335 AromaticContact CZ-CE2 3.84Å; F327-Y335 HydrophobicContact CZ-CE2 3.84Å; L331-Y335 WeakPolarHBondContact O-CB 3.49Å; L331-Y335 PolarHBondContact O-N 2.92Å; Q332-Y335 PolarHBondContact O-N 2.94Å; Y335-S337 VanDerWaalsContact C-N 3.25Å; Y335-S337 PolarHBondContact O-N 3.35Å; Y335-F338 PolarHBondContact O-N 3.16Å
336	S	48.3	Very low	44.5	Very low	63 Å²	63	98.7 Å²	98.7	44%	0.441	53%	0.528	S	S	.	.	H	α-helix	trans	-65.8	-25.4	179.4	33.7	0	0	0	0	113.4	Q332 T333 F338	Q332-S336 PolarHBondContact O-N 3.34Å; Q332-S336 PolarHBondContact O-OG 3.33Å; T333-S336 WeakPolarHBondContact CA-OG 3.47Å; T333-S336 PolarHBondContact O-OG 3.24Å; S336-F338 VanDerWaalsContact C-N 3.33Å
337	S	45.5	Very low	44.5	Very low	91 Å²	91	100.9 Å²	100.9	64%	0.636	55%	0.545	S	S	*	.	H	α-helix	trans	-75.1	-16.3	171.2	57.2	0	0	0	0	114.7	T333 T334 Y335	T333-S337 PolarHBondContact O-N 3.44Å; T334-S337 PolarHBondContact O-N 2.81Å; T334-S337 PolarHBondContact O-OG 3.27Å; Y335-S337 VanDerWaalsContact C-N 3.25Å; Y335-S337 PolarHBondContact O-N 3.35Å
338	F	42.3	Very low	45.7	Very low	145 Å²	145	99.4 Å²	99.4	64%	0.636	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	19.7	178.7	-69.5	-71.7	0	0	0	113.2	T334 Y335 S336 N340	T334-F338 HydrophobicContact CG2-CD2 4.38Å; T334-F338 HydrophobicContact CG2-CE2 3.98Å; T334-F338 WeakPolarHBondContact O-CD2 3.39Å; Y335-F338 PolarHBondContact O-N 3.16Å; S336-F338 VanDerWaalsContact C-N 3.33Å; F338-N340 PolarHBondContact O-N 2.96Å
339	R	34.2	Very low	47.6	Very low	180 Å²	180	95.3 Å²	95.3	68%	0.679	51%	0.512	S	S	*	.			trans	-61.3	94.9	173.4	-108.8	-170.2	-161.4	-170.6	7.3	110.6	D322	D322-R339 IonicContact OD2-NH2 2.71Å
340	N	33.4	Very low	49	Very low	116 Å²	116	87.3 Å²	87.3	62%	0.62	49%	0.486	S	S	*	.			trans	-92.2	133.6	157.8	-78.9	-16.6	0	0	0	108.7	F338 E342 I343	F338-N340 PolarHBondContact O-N 2.96Å; N340-E342 PolarHBondContact O-N 2.97Å; N340-I343 PolarHBondContact O-N 3.49Å
341	A	38.5	Very low	50.8	Low	92 Å²	92	84.3 Å²	84.3	76%	0.76	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-60.7	-10.4	177	0	0	0	0	0	113.6	I343	A341-I343 VanDerWaalsContact C-N 3.32Å
342	E	32.8	Very low	52.8	Low	166 Å²	166	85.8 Å²	85.8	78%	0.776	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-81.6	-3.3	176.6	-67.9	-177.1	158.8	0	0	114.1	N340 D344	N340-E342 PolarHBondContact O-N 2.97Å; E342-D344 PolarHBondContact O-N 2.91Å
343	I	36.7	Very low	54.7	Low	61 Å²	61	83 Å²	83	31%	0.313	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-74.4	-13.4	174.7	-60.8	173.9	0	0	0	111.9	I323 N340 A341 S345 M346	I323-I343 HydrophobicContact CD1-CG2 3.93Å; N340-I343 PolarHBondContact O-N 3.49Å; A341-I343 VanDerWaalsContact C-N 3.32Å; I343-S345 PolarHBondContact O-N 3.31Å; I343-M346 HydrophobicContact CG2-SD 4.21Å; I343-M346 PolarHBondContact O-N 3.28Å
344	D	36.6	Very low	56.8	Low	73 Å²	73	78.1 Å²	78.1	39%	0.39	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-65.6	-5.1	-180	-86.8	-13.9	0	0	0	114.4	E342	E342-D344 PolarHBondContact O-N 2.91Å
345	S	41.4	Very low	59	Low	80 Å²	80	74.7 Å²	74.7	56%	0.559	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-125.7	26.3	177.7	64.6	0	0	0	0	113.7	I343 P347	I343-S345 PolarHBondContact O-N 3.31Å; S345-P347 VanDerWaalsContact O-CD 3.24Å; S345-P347 WeakPolarHBondContact O-CD 3.48Å
346	M	42.3	Very low	61.3	Low	107 Å²	107	72.6 Å²	72.6	53%	0.527	39%	0.393	S	S	.	.			trans	-50.3	113	-171.9	-144.9	169	91.8	0	0	111	I323 I343 M348	I323-M346 HydrophobicContact CD1-CE 4.18Å; I323-M346 HydrophobicContact CD1-SD 3.73Å; I343-M346 HydrophobicContact CG2-SD 4.21Å; I343-M346 PolarHBondContact O-N 3.28Å; M346-M348 PolarHBondContact O-N 3.41Å
347	P	47.7	Very low	63.6	Low	100 Å²	100	69.8 Å²	69.8	65%	0.649	37%	0.372	S	S	*	.			trans	-62.1	114.3	173.8	23.1	-29.2	0	0	0	106.8	S345 F349	S345-P347 VanDerWaalsContact O-CD 3.24Å; S345-P347 WeakPolarHBondContact O-CD 3.48Å; P347-F349 PolarHBondContact O-N 3.02Å; P347-F349 VanDerWaalsContact O-N 3.15Å
348	M	70.4	Confident	66	Low	42 Å²	42	65.5 Å²	65.5	21%	0.207	34%	0.342	C	S	.	.	S	Bend	trans	-52.3	-41.4	-164.3	-100.1	166.1	170.2	0	0	112.4	Y301 C305 L308 L316 M346 F413 P415	Y301-M348 HydrophobicContact CD1-CB 4.03Å; Y301-M348 HydrophobicContact CE1-CB 3.38Å; Y301-M348 HydrophobicContact CE1-CG 3.84Å; Y301-M348 WeakPolarHBondContact CE1-O 3.49Å; Y301-M348 PolarHBondContact OH-O 3.02Å; C305-M348 HydrophobicContact CB-CE 3.94Å; C305-M348 HydrophobicContact CB-SD 3.38Å; C305-M348 WeakPolarHBondContact CB-SD 3.45Å; C305-M348 PolarHBondContact SG-SD 3.19Å; L308-M348 HydrophobicContact CD1-CE 4.33Å; L316-M348 HydrophobicContact CD2-CE 3.98Å; M346-M348 PolarHBondContact O-N 3.41Å; M348-F413 HydrophobicContact CB-CE1 3.75Å; M348-F413 HydrophobicContact CB-CZ 3.58Å; M348-F413 HydrophobicContact CG-CZ 4.39Å; M348-F413 HydrophobicContact SD-CE1 4.25Å; M348-F413 HydrophobicContact SD-CZ 4.02Å; M348-P415 HydrophobicContact SD-CG 3.96Å
349	F	86.9	Confident	68.5	Low	6 Å²	6	58.9 Å²	58.9	3%	0.026	31%	0.314	C	S	.	.	S	Bend	trans	-135.7	164.3	153.4	70.6	-91.1	0	0	0	108.6	F281 A298 Y301 P347 C351 L354 F413	F281-F349 AromaticContact CE2-CD2 3.91Å; F281-F349 HydrophobicContact CE2-CD2 3.91Å; F281-F349 HydrophobicContact CE2-CE2 4.26Å; F281-F349 HydrophobicContact CE2-CG 4.43Å; F281-F349 HydrophobicContact CZ-CB 3.99Å; F281-F349 AromaticContact CZ-CD2 3.85Å; F281-F349 HydrophobicContact CZ-CD2 3.85Å; F281-F349 AromaticContact CZ-CG 3.94Å; F281-F349 HydrophobicContact CZ-CG 3.94Å; A298-F349 HydrophobicContact CB-CE1 4.09Å; A298-F349 HydrophobicContact CB-CE2 4.32Å; A298-F349 HydrophobicContact CB-CZ 3.75Å; Y301-F349 AromaticContact CD1-CD1 3.95Å; Y301-F349 HydrophobicContact CD1-CD1 3.95Å; Y301-F349 HydrophobicContact CD2-CB 4.42Å; Y301-F349 HydrophobicContact CD2-CD1 4.3Å; Y301-F349 HydrophobicContact CE2-CB 4.41Å; Y301-F349 AromaticContact CG-CD1 3.8Å; Y301-F349 HydrophobicContact CG-CD1 3.8Å; P347-F349 PolarHBondContact O-N 3.02Å; P347-F349 VanDerWaalsContact O-N 3.15Å; F349-C351 HydrophobicContact CE2-CB 4.25Å; F349-C351 VanDerWaalsContact CE2-SG 3.54Å; F349-C351 VanDerWaalsContact CZ-SG 3.51Å; F349-C351 PolarHBondContact O-N 3.42Å; F349-L354 HydrophobicContact CE2-CB 4.34Å; F349-L354 HydrophobicContact CE2-CD2 3.86Å; F349-L354 HydrophobicContact CZ-CD2 4.48Å; F349-F413 HydrophobicContact CD1-CD2 4.2Å; F349-F413 AromaticContact CD1-CE2 3.94Å; F349-F413 HydrophobicContact CD1-CE2 3.94Å; F349-F413 HydrophobicContact CD1-CZ 4.39Å; F349-F413 AromaticContact CE1-CD2 3.31Å; F349-F413 HydrophobicContact CE1-CD2 3.31Å; F349-F413 AromaticContact CE1-CE2 3.45Å; F349-F413 HydrophobicContact CE1-CE2 3.45Å; F349-F413 VanDerWaalsContact CE1-CE2 3.45Å; F349-F413 HydrophobicContact CE1-CG 4.03Å; F349-F413 HydrophobicContact CE1-CZ 4.27Å; F349-F413 AromaticContact CZ-CD2 3.94Å; F349-F413 HydrophobicContact CZ-CD2 3.94Å; F349-F413 HydrophobicContact CZ-CE2 4.48Å; F349-F413 HydrophobicContact CZ-CG 4.39Å
350	D	89.9	Confident	71.3	Confident	51 Å²	51	51.3 Å²	51.3	27%	0.273	29%	0.287	S	S	.	.			trans	-75.2	91.6	-179.9	-169.7	-21.4	0	0	0	110.8	H19 Q274 K352 A353 L354	H19-D350 IonicContact CD2-OD2 3.9Å; H19-D350 PolarHBondContact CD2-OD2 3.28Å; H19-D350 IonicContact NE2-OD2 3.44Å; Q274-D350 PolarHBondContact NE2-O 2.97Å; D350-K352 VanDerWaalsContact C-N 3.27Å; D350-K352 PolarHBondContact O-N 3.44Å; D350-K352 PolarHBondContact OD1-N 3.36Å; D350-A353 HydrophobicContact CB-CB 3.85Å; D350-A353 PolarHBondContact O-N 2.92Å; D350-A353 PolarHBondContact OD1-N 3.5Å; D350-A353 WeakPolarHBondContact OD2-CB 3.37Å; D350-L354 PolarHBondContact O-N 2.88Å; D350-L354 VanDerWaalsContact O-N 3.12Å
351	C	92.1	Very high	74.1	Confident	21 Å²	21	46 Å²	46	14%	0.142	26%	0.259	C	S	.	.	H	α-helix	trans	-62.5	-33.9	179.4	-66.9	0	0	0	0	112.2	F349 Q355 A410 F413	F349-C351 HydrophobicContact CE2-CB 4.25Å; F349-C351 VanDerWaalsContact CE2-SG 3.54Å; F349-C351 VanDerWaalsContact CZ-SG 3.51Å; F349-C351 PolarHBondContact O-N 3.42Å; C351-Q355 VanDerWaalsContact O-CG 3.25Å; C351-Q355 WeakPolarHBondContact O-CG 3.35Å; C351-Q355 PolarHBondContact O-N 2.88Å; C351-A410 WeakPolarHBondContact CB-O 3.44Å; C351-F413 VanDerWaalsContact SG-CB 3.55Å
352	K	91.4	Very high	76.8	Confident	115 Å²	115	41.6 Å²	41.6	50%	0.5	22%	0.222	S	C	.	.	H	α-helix	trans	-74.6	-43.7	-178.7	-69.8	-178.7	179.7	176.6	0	110.6	D350 L354 Q355 N356 V424	D350-K352 VanDerWaalsContact C-N 3.27Å; D350-K352 PolarHBondContact O-N 3.44Å; D350-K352 PolarHBondContact OD1-N 3.36Å; K352-L354 VanDerWaalsContact C-N 3.3Å; K352-L354 PolarHBondContact O-N 3.22Å; K352-Q355 PolarHBondContact O-N 2.83Å; K352-N356 WeakPolarHBondContact O-CB 3.33Å; K352-N356 PolarHBondContact O-N 2.89Å; K352-N356 PolarHBondContact O-ND2 3.2Å; K352-V424 HydrophobicContact CB-CG2 4.14Å; K352-V424 HydrophobicContact CG-CG2 4.11Å
353	A	92.5	Very high	79.8	Confident	8 Å²	8	33.9 Å²	33.9	7%	0.066	19%	0.187	C	C	.	.	H	α-helix	trans	-58.9	-42.4	174.4	0	0	0	0	0	111.4	D350 N356 Y357	D350-A353 HydrophobicContact CB-CB 3.85Å; D350-A353 PolarHBondContact O-N 2.92Å; D350-A353 PolarHBondContact OD1-N 3.5Å; D350-A353 WeakPolarHBondContact OD2-CB 3.37Å; A353-N356 PolarHBondContact O-N 3.5Å; A353-Y357 WeakPolarHBondContact O-CB 3.46Å; A353-Y357 PolarHBondContact O-N 3Å
354	L	95.4	Very high	82.4	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.8	-44.7	175.6	-177.4	60.6	0	0	0	112	G279 F281 A298 F349 D350 K352 N356 Y357 V358 A410	G279-L354 WeakPolarHBondContact O-CA 3.46Å; G279-L354 PolarHBondContact O-N 3.17Å; F281-L354 HydrophobicContact CD2-CD1 3.92Å; F281-L354 HydrophobicContact CD2-CD2 4.13Å; F281-L354 HydrophobicContact CE2-CD1 4.31Å; F281-L354 HydrophobicContact CE2-CD2 3.9Å; A298-L354 HydrophobicContact CB-CD2 4.05Å; F349-L354 HydrophobicContact CE2-CB 4.34Å; F349-L354 HydrophobicContact CE2-CD2 3.86Å; F349-L354 HydrophobicContact CZ-CD2 4.48Å; D350-L354 PolarHBondContact O-N 2.88Å; D350-L354 VanDerWaalsContact O-N 3.12Å; K352-L354 VanDerWaalsContact C-N 3.3Å; K352-L354 PolarHBondContact O-N 3.22Å; L354-N356 PolarHBondContact O-N 2.91Å; L354-Y357 HydrophobicContact CD1-CD1 4.49Å; L354-Y357 PolarHBondContact O-N 3.46Å; L354-V358 WeakPolarHBondContact O-CG2 3.01Å; L354-V358 PolarHBondContact O-N 3.33Å; L354-A410 HydrophobicContact CB-CB 4.39Å; L354-A410 HydrophobicContact CD2-CB 3.88Å; L354-A410 HydrophobicContact CG-CB 4.26Å
355	Q	95.9	Very high	85	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.5	-45.8	176.7	-73.5	-178	62.4	0	0	111.8	C351 K352 Y357 V358 L359 L407 A410 Q411 T422 V424	C351-Q355 VanDerWaalsContact O-CG 3.25Å; C351-Q355 WeakPolarHBondContact O-CG 3.35Å; C351-Q355 PolarHBondContact O-N 2.88Å; K352-Q355 PolarHBondContact O-N 2.83Å; Q355-Y357 PolarHBondContact O-N 3.45Å; Q355-V358 PolarHBondContact O-N 2.88Å; Q355-L359 WeakPolarHBondContact O-CB 3.45Å; Q355-L359 VanDerWaalsContact O-CG 3.26Å; Q355-L359 WeakPolarHBondContact O-CG 3.41Å; Q355-L359 PolarHBondContact O-N 3.41Å; Q355-L407 HydrophobicContact CB-CD1 4.2Å; Q355-L407 HydrophobicContact CG-CD1 3.84Å; Q355-A410 HydrophobicContact CG-CB 3.79Å; Q355-A410 PolarHBondContact NE2-O 2.87Å; Q355-Q411 HydrophobicContact CG-CG 4.27Å; Q355-T422 PolarHBondContact NE2-O 2.93Å; Q355-T422 PolarHBondContact OE1-O 2.96Å; Q355-V424 HydrophobicContact CB-CB 3.99Å; Q355-V424 HydrophobicContact CB-CG2 3.74Å; Q355-V424 HydrophobicContact CG-CG2 4.39Å
356	N	93.8	Very high	87.3	Confident	8 Å²	8	32.9 Å²	32.9	4%	0.043	18%	0.178	C	C	.	.	H	α-helix	trans	-60.6	-44.7	176.8	-79.8	-55.5	0	0	0	112.3	L17 F18 K352 A353 L354 V358 L359 V360 V424	L17-N356 VanDerWaalsContact O-CG 3.3Å; L17-N356 PolarHBondContact O-ND2 3.36Å; F18-N356 HydrophobicContact CD1-CB 3.8Å; F18-N356 HydrophobicContact CE1-CB 3.87Å; K352-N356 WeakPolarHBondContact O-CB 3.33Å; K352-N356 PolarHBondContact O-N 2.89Å; K352-N356 PolarHBondContact O-ND2 3.2Å; A353-N356 PolarHBondContact O-N 3.5Å; L354-N356 PolarHBondContact O-N 2.91Å; N356-V358 VanDerWaalsContact C-N 3.32Å; N356-V358 PolarHBondContact O-N 3.32Å; N356-L359 PolarHBondContact O-N 2.74Å; N356-V360 WeakPolarHBondContact O-CB 3.31Å; N356-V360 PolarHBondContact O-N 2.83Å; N356-V424 WeakPolarHBondContact OD1-CG1 3.32Å
357	Y	94.9	Very high	89.8	Confident	4 Å²	4	27.8 Å²	27.8	2%	0.016	15%	0.152	C	C	.	.	H	α-helix	trans	-56.5	-46.9	175.1	175.2	-106.1	0	0	0	111.6	E278 G280 V289 A353 L354 Q355 C361 C362 P373	E278-Y357 HydrophobicContact CB-CD2 4.24Å; E278-Y357 HydrophobicContact CB-CE2 4.28Å; E278-Y357 WeakPolarHBondContact O-CB 3.16Å; E278-Y357 WeakPolarHBondContact O-CD2 3.37Å; G280-Y357 VanDerWaalsContact CA-CD1 3.49Å; V289-Y357 HydrophobicContact CG1-CE2 4.03Å; V289-Y357 WeakPolarHBondContact CG1-OH 3.41Å; V289-Y357 HydrophobicContact CG2-CE1 3.86Å; V289-Y357 HydrophobicContact CG2-CE2 3.82Å; V289-Y357 VanDerWaalsContact CG2-CZ 3.45Å; V289-Y357 WeakPolarHBondContact CG2-OH 3.23Å; A353-Y357 WeakPolarHBondContact O-CB 3.46Å; A353-Y357 PolarHBondContact O-N 3Å; L354-Y357 HydrophobicContact CD1-CD1 4.49Å; L354-Y357 PolarHBondContact O-N 3.46Å; Q355-Y357 PolarHBondContact O-N 3.45Å; Y357-C361 HydrophobicContact CD2-CB 3.86Å; Y357-C361 HydrophobicContact CE2-CB 3.86Å; Y357-C361 WeakPolarHBondContact O-CA 3.37Å; Y357-C361 VanDerWaalsContact O-CB 3.25Å; Y357-C361 WeakPolarHBondContact O-CB 3.47Å; Y357-C361 PolarHBondContact O-N 2.93Å; Y357-C362 WeakPolarHBondContact CE1-SG 2.99Å; Y357-C362 PolarHBondContact O-N 3.23Å; Y357-C362 PolarHBondContact O-SG 3.08Å; Y357-P373 HydrophobicContact CE2-CG 3.92Å; Y357-P373 WeakPolarHBondContact OH-CD 3.2Å
358	V	96.5	Very high	92.1	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.5	-50.1	177.6	172.3	0	0	0	0	111.3	L354 Q355 N356 V360 C362 L369 T403 L407	L354-V358 WeakPolarHBondContact O-CG2 3.01Å; L354-V358 PolarHBondContact O-N 3.33Å; Q355-V358 PolarHBondContact O-N 2.88Å; N356-V358 VanDerWaalsContact C-N 3.32Å; N356-V358 PolarHBondContact O-N 3.32Å; V358-V360 VanDerWaalsContact C-N 3.34Å; V358-V360 PolarHBondContact O-N 2.84Å; V358-C362 WeakPolarHBondContact O-CB 3.45Å; V358-C362 PolarHBondContact O-N 3.13Å; V358-L369 HydrophobicContact CG1-CD2 3.89Å; V358-T403 HydrophobicContact CB-CG2 4.3Å; V358-T403 HydrophobicContact CG1-CG2 3.77Å; V358-T403 HydrophobicContact CG2-CG2 3.68Å; V358-L407 HydrophobicContact CB-CD1 4.36Å; V358-L407 HydrophobicContact CG1-CB 4.24Å; V358-L407 HydrophobicContact CG1-CD1 4.26Å; V358-L407 HydrophobicContact CG1-CD2 4.3Å
359	L	95	Very high	93.4	Very high	7 Å²	7	21 Å²	21	4%	0.037	11%	0.112	C	C	.	.	H	α-helix	trans	-71.5	-24.5	-173.9	-66.4	172.4	0	0	0	113.4	P64 L66 Q355 N356 Q363 L407 V424	P64-L359 HydrophobicContact CB-CB 3.67Å; P64-L359 HydrophobicContact CB-CD1 3.99Å; P64-L359 HydrophobicContact CB-CG 4.47Å; L66-L359 HydrophobicContact CB-CD2 3.85Å; L66-L359 HydrophobicContact CD1-CD2 4.07Å; Q355-L359 WeakPolarHBondContact O-CB 3.45Å; Q355-L359 VanDerWaalsContact O-CG 3.26Å; Q355-L359 WeakPolarHBondContact O-CG 3.41Å; Q355-L359 PolarHBondContact O-N 3.41Å; N356-L359 PolarHBondContact O-N 2.74Å; L359-Q363 PolarHBondContact O-NE2 3.49Å; L359-L407 HydrophobicContact CD2-CD2 4.37Å; L359-V424 HydrophobicContact CD1-CB 4.41Å; L359-V424 HydrophobicContact CD1-CG1 4.36Å
360	V	92.3	Very high	93.8	Very high	20 Å²	20	20.7 Å²	20.7	12%	0.121	11%	0.11	C	C	.	.	H	α-helix	trans	-108.4	-36.3	-177.4	175.5	0	0	0	0	113.2	F18 V50 F53 P64 N356 V358	F18-V360 HydrophobicContact CE1-CB 3.96Å; F18-V360 HydrophobicContact CE1-CG1 4.28Å; F18-V360 HydrophobicContact CE1-CG2 3.4Å; F18-V360 VanDerWaalsContact CE1-CG2 3.4Å; F18-V360 HydrophobicContact CZ-CB 4.48Å; F18-V360 HydrophobicContact CZ-CG2 3.62Å; V50-V360 HydrophobicContact CG2-CG1 4.04Å; F53-V360 HydrophobicContact CB-CG1 3.98Å; F53-V360 HydrophobicContact CD1-CG2 4.33Å; F53-V360 HydrophobicContact CD2-CG2 4.36Å; F53-V360 HydrophobicContact CG-CG1 4.45Å; F53-V360 HydrophobicContact CG-CG2 4.12Å; P64-V360 HydrophobicContact CB-CG2 3.93Å; P64-V360 HydrophobicContact CG-CG2 3.98Å; N356-V360 WeakPolarHBondContact O-CB 3.31Å; N356-V360 PolarHBondContact O-N 2.83Å; V358-V360 VanDerWaalsContact C-N 3.34Å; V358-V360 PolarHBondContact O-N 2.84Å
361	C	93.3	Very high	93.9	Very high	4 Å²	4	19.5 Å²	19.5	3%	0.027	10%	0.104	C	C	.	.	H	α-helix	trans	-104.7	-18.6	-171.1	-56.5	0	0	0	0	114	Y357 P373	Y357-C361 HydrophobicContact CD2-CB 3.86Å; Y357-C361 HydrophobicContact CE2-CB 3.86Å; Y357-C361 WeakPolarHBondContact O-CA 3.37Å; Y357-C361 VanDerWaalsContact O-CB 3.25Å; Y357-C361 WeakPolarHBondContact O-CB 3.47Å; Y357-C361 PolarHBondContact O-N 2.93Å; C361-P373 HydrophobicContact CB-CG 4.38Å
362	C	95.5	Very high	93.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	-106.1	-13.1	-170.6	-58	0	0	0	0	114.8	Y357 V358 L369 I370 T403	Y357-C362 WeakPolarHBondContact CE1-SG 2.99Å; Y357-C362 PolarHBondContact O-N 3.23Å; Y357-C362 PolarHBondContact O-SG 3.08Å; V358-C362 WeakPolarHBondContact O-CB 3.45Å; V358-C362 PolarHBondContact O-N 3.13Å; C362-L369 HydrophobicContact CB-CD2 4.01Å; C362-L369 WeakPolarHBondContact O-CA 3.5Å; C362-L369 WeakPolarHBondContact O-CB 3.49Å; C362-I370 PolarHBondContact O-N 3.36Å; C362-T403 HydrophobicContact CB-CG2 4.15Å
363	Q	94.6	Very high	93.6	Very high	5 Å²	5	14.7 Å²	14.7	2%	0.023	8%	0.081	C	C	.	.	B	Isolated β-bridge	trans	-88.8	121.4	-171.9	-63	-169.2	87.7	0	0	113.1	K65 F67 H71 L359 L369 Y376	K65-Q363 PolarHBondContact O-NE2 2.92Å; F67-Q363 HydrophobicContact CD2-CB 3.75Å; F67-Q363 HydrophobicContact CD2-CG 4.5Å; F67-Q363 HydrophobicContact CE2-CB 3.92Å; H71-Q363 PolarHBondContact NE2-OE1 3.44Å; H71-Q363 VanDerWaalsContact NE2-OE1 3.16Å; L359-Q363 PolarHBondContact O-NE2 3.49Å; Q363-L369 HydrophobicContact CG-CD2 4.46Å; Q363-Y376 PolarHBondContact O-OH 2.72Å
364	H	92.9	Very high	93	Very high	10 Å²	10	14.7 Å²	14.7	5%	0.046	8%	0.081	C	C	.	.			trans	-77.4	133.8	169.6	-169.7	-40.8	0	0	0	110.6	L366 G367 G368 I370 Y376 R395	H364-L366 PolarHBondContact ND1-N 3.26Å; H364-L366 PolarHBondContact O-N 3.03Å; H364-G367 WeakPolarHBondContact CB-O 3.23Å; H364-G367 PolarHBondContact O-N 3.47Å; H364-G368 WeakPolarHBondContact CB-O 3.47Å; H364-G368 PolarHBondContact N-O 2.81Å; H364-I370 HydrophobicContact CB-CG2 4.48Å; H364-Y376 HydrophobicContact CB-CD1 4.28Å; H364-Y376 HydrophobicContact CB-CE1 3.92Å; H364-Y376 AromaticContact CD2-CD1 3.58Å; H364-Y376 AromaticContact CG-CD1 3.73Å; H364-Y376 AromaticContact CG-CE1 3.89Å; H364-Y376 AromaticContact NE2-CD1 3.89Å; H364-R395 HydrophobicContact CB-CB 4.14Å; H364-R395 PolarHBondContact CE1-NH1 3.3Å; H364-R395 PolarHBondContact NE2-NH1 2.9Å; H364-R395 VanDerWaalsContact NE2-NH1 3.2Å
365	T	89.2	Confident	91.4	Very high	81 Å²	81	18.7 Å²	18.7	50%	0.497	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-14.9	-178.5	54.9	0	0	0	0	116.2	Y376	T365-Y376 HydrophobicContact CG2-CE2 4.3Å
366	L	91.3	Very high	89.5	Confident	101 Å²	101	21.5 Å²	21.5	53%	0.529	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	13.6	177.7	-63.9	-179.5	0	0	0	112.1	H364	H364-L366 PolarHBondContact ND1-N 3.26Å; H364-L366 PolarHBondContact O-N 3.03Å
367	G	94.5	Very high	87.2	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	98.9	160.7	-176.9	0	0	0	0	0	112.4	E70 H71 H364 R395	E70-G367 WeakPolarHBondContact O-CA 3.48Å; H71-G367 WeakPolarHBondContact ND1-CA 3.49Å; H364-G367 WeakPolarHBondContact CB-O 3.23Å; H364-G367 PolarHBondContact O-N 3.47Å; G367-R395 WeakPolarHBondContact O-CD 3.38Å
368	G	96	Very high	84.6	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.163	C	C	.	.			trans	79.2	164	-174.4	0	0	0	0	0	113.9	H71 Y74 H364 T400	H71-G368 PolarHBondContact ND1-N 3.17Å; Y74-G368 VanDerWaalsContact CD1-CA 3.46Å; H364-G368 WeakPolarHBondContact CB-O 3.47Å; H364-G368 PolarHBondContact N-O 2.81Å; G368-T400 VanDerWaalsContact CA-OG1 3.22Å; G368-T400 WeakPolarHBondContact CA-OG1 3.47Å
369	L	97.1	Very high	81.9	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-120.3	158	178	-62.6	90.3	0	0	0	111.7	V358 C362 Q363 R395 D396 T400 T403 L404	V358-L369 HydrophobicContact CG1-CD2 3.89Å; C362-L369 HydrophobicContact CB-CD2 4.01Å; C362-L369 WeakPolarHBondContact O-CA 3.5Å; C362-L369 WeakPolarHBondContact O-CB 3.49Å; Q363-L369 HydrophobicContact CG-CD2 4.46Å; L369-R395 WeakPolarHBondContact O-CA 3.49Å; L369-D396 PolarHBondContact O-N 3.15Å; L369-T400 HydrophobicContact CD1-CG2 3.88Å; L369-T400 PolarHBondContact N-OG1 3.41Å; L369-T403 HydrophobicContact CD2-CG2 3.48Å; L369-T403 VanDerWaalsContact CD2-CG2 3.48Å; L369-L404 HydrophobicContact CD1-CD1 4.31Å; L369-L404 HydrophobicContact CD1-CD2 4.21Å; L369-L404 HydrophobicContact CD1-CG 3.89Å
370	I	95.1	Very high	79.3	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.237	C	C	.	.			trans	-111.7	163.8	-173.6	66.9	-175.6	0	0	0	112.1	C362 H364 K372 Y376 R393	C362-I370 PolarHBondContact O-N 3.36Å; H364-I370 HydrophobicContact CB-CG2 4.48Å; I370-K372 WeakPolarHBondContact CD1-O 3.27Å; I370-K372 WeakPolarHBondContact CG1-O 3.49Å; I370-Y376 HydrophobicContact CD1-CE1 4.14Å; I370-Y376 HydrophobicContact CG2-CE1 4.31Å; I370-R393 HydrophobicContact CB-CB 4.13Å; I370-R393 HydrophobicContact CD1-CB 4.05Å; I370-R393 HydrophobicContact CG2-CB 4.32Å
371	D	91.9	Very high	76.8	Confident	25 Å²	25	50.5 Å²	50.5	13%	0.134	27%	0.272	C	S	.	.	S	Bend	trans	-71.8	-45	179.5	77.3	-43.7	0	0	0	112.8	D290 G291 R393 H399	D290-D371 CarbonylContact C-O 3.47Å; D290-D371 WeakPolarHBondContact CA-O 3.35Å; G291-D371 PolarHBondContact N-O 3.44Å; D371-R393 VanDerWaalsContact OD1-CD 3.3Å; D371-R393 WeakPolarHBondContact OD1-CD 3.36Å; D371-R393 IonicContact OD1-CZ 3.12Å; D371-R393 IonicContact OD1-NE 3.73Å; D371-R393 IonicContact OD1-NH1 3.91Å; D371-R393 PolarHBondContact OD1-NH1 2.82Å; D371-R393 IonicContact OD2-CZ 2.63Å; D371-R393 IonicContact OD2-NH1 3.14Å; D371-R393 PolarHBondContact OD2-NH1 2.73Å; D371-H399 VanDerWaalsContact CA-CD2 3.49Å; D371-H399 WeakPolarHBondContact CA-CD2 3.47Å; D371-H399 VanDerWaalsContact CB-CE1 3.47Å; D371-H399 WeakPolarHBondContact CB-CE1 3.34Å; D371-H399 VanDerWaalsContact CB-NE2 3.31Å; D371-H399 WeakPolarHBondContact CB-NE2 3.19Å
372	K	91.8	Very high	74.4	Confident	34 Å²	34	53.1 Å²	53.1	15%	0.148	29%	0.288	C	S	.	.	S	Bend	trans	-139.6	159.3	-173.3	-64	-177.5	-174.8	53.6	0	110.8	L288 V289 D290 I370 G374 R393	L288-K372 HydrophobicContact CB-CD 4.34Å; L288-K372 HydrophobicContact CD1-CD 4.18Å; V289-K372 WeakPolarHBondContact O-CG 3.47Å; D290-K372 IonicContact OD2-NZ 3.26Å; D290-K372 PolarHBondContact OD2-NZ 3.13Å; I370-K372 WeakPolarHBondContact CD1-O 3.27Å; I370-K372 WeakPolarHBondContact CG1-O 3.49Å; K372-G374 PolarHBondContact O-N 3.32Å; K372-R393 WeakPolarHBondContact O-CG 3.35Å
373	P	86.7	Confident	72	Confident	2 Å²	2	65.1 Å²	65.1	1%	0.013	33%	0.333	C	S	.	.	S	Bend	trans	-54.1	136.1	171.6	-24.2	35.6	0	0	0	110.4	T42 L45 V46 V289 Y357 C361	T42-P373 HydrophobicContact CG2-CG 4.32Å; L45-P373 HydrophobicContact CB-CB 3.93Å; L45-P373 WeakPolarHBondContact CD1-O 3.48Å; V46-P373 HydrophobicContact CG2-CB 3.89Å; V46-P373 HydrophobicContact CG2-CG 3.47Å; V46-P373 VanDerWaalsContact CG2-CG 3.47Å; V289-P373 HydrophobicContact CG1-CG 4.16Å; Y357-P373 HydrophobicContact CE2-CG 3.92Å; Y357-P373 WeakPolarHBondContact OH-CD 3.2Å; C361-P373 HydrophobicContact CB-CG 4.38Å
374	G	79.5	Confident	69.4	Low	7 Å²	7	74.4 Å²	74.4	7%	0.072	37%	0.374	C	S	.	.			trans	-178.5	166.6	-175.5	0	0	0	0	0	113.7	K372 T391	K372-G374 PolarHBondContact O-N 3.32Å; G374-T391 CarbonylContact C-O 3.52Å; G374-T391 VanDerWaalsContact CA-O 3.29Å; G374-T391 WeakPolarHBondContact CA-O 3.26Å
375	K	61	Low	67.1	Low	85 Å²	85	82.7 Å²	82.7	37%	0.37	40%	0.404	S	S	.	.	B	Isolated β-bridge	trans	-80.8	152.1	175.6	-62.3	-174.8	179.6	-179.3	0	109.1	L45 E48 T391 F392 R393	L45-K375 HydrophobicContact CD2-CG 4.44Å; E48-K375 IonicContact OE1-NZ 3.62Å; E48-K375 PolarHBondContact OE1-NZ 3.48Å; E48-K375 WeakPolarHBondContact OE2-CE 3.38Å; E48-K375 IonicContact OE2-NZ 3.52Å; E48-K375 PolarHBondContact OE2-NZ 3.48Å; K375-T391 PolarHBondContact N-O 3.25Å; K375-F392 HydrophobicContact CB-CD1 4.16Å; K375-F392 HydrophobicContact CB-CE1 3.91Å; K375-F392 VanDerWaalsContact O-CA 3.23Å; K375-F392 WeakPolarHBondContact O-CA 3.39Å; K375-F392 VanDerWaalsContact O-CD1 3.31Å; K375-F392 WeakPolarHBondContact O-CD1 3.28Å; K375-R393 PolarHBondContact O-N 3.11Å; K375-R393 VanDerWaalsContact O-N 3.15Å
376	Y	55.7	Low	65.2	Low	58 Å²	58	82.8 Å²	82.8	23%	0.227	41%	0.413	C	S	.	.			trans	-94.5	140.9	177.6	-52.2	-71	0	0	0	111.4	Q363 H364 T365 I370 L378 F392	Q363-Y376 PolarHBondContact O-OH 2.72Å; H364-Y376 HydrophobicContact CB-CD1 4.28Å; H364-Y376 HydrophobicContact CB-CE1 3.92Å; H364-Y376 AromaticContact CD2-CD1 3.58Å; H364-Y376 AromaticContact CG-CD1 3.73Å; H364-Y376 AromaticContact CG-CE1 3.89Å; H364-Y376 AromaticContact NE2-CD1 3.89Å; T365-Y376 HydrophobicContact CG2-CE2 4.3Å; I370-Y376 HydrophobicContact CD1-CE1 4.14Å; I370-Y376 HydrophobicContact CG2-CE1 4.31Å; Y376-L378 VanDerWaalsContact C-N 3.34Å; Y376-L378 PolarHBondContact O-N 3.17Å; Y376-F392 VanDerWaalsContact C-CE1 3.48Å; Y376-F392 WeakPolarHBondContact O-CD1 3.43Å; Y376-F392 WeakPolarHBondContact O-CE1 3.38Å
377	V	45.6	Very low	63.2	Low	72 Å²	72	84.9 Å²	84.9	44%	0.436	42%	0.42	S	S	.	.			trans	-71.3	95.8	167.5	-174.4	0	0	0	0	107.1	L379 F392	V377-L379 VanDerWaalsContact C-N 3.31Å; V377-L379 HydrophobicContact CG1-CD2 4.47Å; V377-L379 HydrophobicContact CG1-CG 4.29Å; V377-L379 PolarHBondContact O-N 3.06Å; V377-F392 HydrophobicContact CB-CD1 4.26Å; V377-F392 HydrophobicContact CG2-CB 3.56Å; V377-F392 HydrophobicContact CG2-CD1 3.57Å; V377-F392 HydrophobicContact CG2-CD2 4.25Å; V377-F392 HydrophobicContact CG2-CE1 4.4Å; V377-F392 HydrophobicContact CG2-CG 3.5Å; V377-F392 VanDerWaalsContact N-CD1 3.29Å
378	L	40.2	Very low	61	Low	140 Å²	140	88.9 Å²	88.9	73%	0.733	44%	0.44	S	S	*	.			trans	-66.2	103.2	151.8	-82.2	163.2	0	0	0	105.6	Y376 G380 F381	Y376-L378 VanDerWaalsContact C-N 3.34Å; Y376-L378 PolarHBondContact O-N 3.17Å; L378-G380 PolarHBondContact O-N 3.14Å; L378-F381 PolarHBondContact O-N 3.17Å
379	L	39.9	Very low	58.9	Low	173 Å²	173	93.9 Å²	93.9	91%	0.906	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	89.1	172.7	-82.7	158.7	0	0	0	108.2	V377	V377-L379 VanDerWaalsContact C-N 3.31Å; V377-L379 HydrophobicContact CG1-CD2 4.47Å; V377-L379 HydrophobicContact CG1-CG 4.29Å; V377-L379 PolarHBondContact O-N 3.06Å
380	G	40.2	Very low	56.7	Low	67 Å²	67	97 Å²	97	69%	0.691	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	171.7	-37.6	-176.7	0	0	0	0	0	114.7	L378	L378-G380 PolarHBondContact O-N 3.14Å
381	F	41.7	Very low	54.8	Low	196 Å²	196	97.5 Å²	97.5	86%	0.86	49%	0.491	S	S	*	.	S	Bend	trans	-121.3	2	-165.6	-91.1	-82.2	0	0	0	118.6	L378	L378-F381 PolarHBondContact O-N 3.17Å
382	V	42.5	Very low	53.2	Low	59 Å²	59	98 Å²	98	36%	0.358	49%	0.492	S	S	.	.			trans	-119	84.7	-177.5	-167.7	0	0	0	0	112.3	F392	V382-F392 HydrophobicContact CB-CE2 4.38Å; V382-F392 HydrophobicContact CB-CZ 4.45Å; V382-F392 HydrophobicContact CG1-CE2 4.02Å; V382-F392 HydrophobicContact CG1-CZ 4.44Å; V382-F392 HydrophobicContact CG2-CE2 4.11Å; V382-F392 HydrophobicContact CG2-CZ 3.71Å
383	R	43.8	Very low	52.1	Low	252 Å²	252	99.7 Å²	99.7	95%	0.951	50%	0.497	S	S	*	.	S	Bend	trans	-106	8.6	164.6	-125.8	-179.9	173.2	151.6	-0.4	114
384	K	41.5	Very low	51.9	Low	201 Å²	201	105.1 Å²	105.1	87%	0.874	53%	0.526	S	S	*	.	S	Bend	trans	-128.4	1.2	-166	-94.7	-173.2	177.9	-179	0	121.5
385	R	44.2	Very low	52.5	Low	183 Å²	183	108 Å²	108	69%	0.691	54%	0.535	S	S	*	.			trans	-148.1	107.4	169.3	-80.9	-169.3	160.5	135.8	-6.5	113.7	H387 M388	R385-H387 PolarHBondContact O-N 3.06Å; R385-M388 HydrophobicContact CB-CB 4.36Å; R385-M388 HydrophobicContact CB-CG 4.23Å; R385-M388 PolarHBondContact O-N 2.78Å
386	A	49.7	Very low	54.1	Low	83 Å²	83	106 Å²	106	69%	0.686	53%	0.528	S	S	*	.	H	α-helix	trans	-57.3	-32.2	175.3	0	0	0	0	0	113.4	M388 L389	A386-M388 VanDerWaalsContact C-N 3.26Å; A386-M388 PolarHBondContact O-N 3.15Å; A386-L389 HydrophobicContact CB-CD1 4.32Å; A386-L389 VanDerWaalsContact O-CB 3.23Å; A386-L389 WeakPolarHBondContact O-CB 3.25Å; A386-L389 PolarHBondContact O-N 2.96Å
387	H	48.8	Very low	56.1	Low	146 Å²	146	103.2 Å²	103.2	68%	0.676	52%	0.517	S	S	*	.	H	α-helix	trans	-69.5	-19.9	176.1	-166.7	-75.9	0	0	0	113.7	R41 R385 S390	R41-H387 PolarHBondContact NH2-O 3.18Å; R385-H387 PolarHBondContact O-N 3.06Å; H387-S390 PolarHBondContact O-OG 2.86Å
388	M	48.3	Very low	58.6	Low	83 Å²	83	102.6 Å²	102.6	41%	0.409	51%	0.508	S	S	.	.	H	α-helix	trans	-84.3	-11.2	170.2	-70.3	-144.4	-67.4	0	0	112.5	R385 A386 S390 T391 F392	R385-M388 HydrophobicContact CB-CB 4.36Å; R385-M388 HydrophobicContact CB-CG 4.23Å; R385-M388 PolarHBondContact O-N 2.78Å; A386-M388 VanDerWaalsContact C-N 3.26Å; A386-M388 PolarHBondContact O-N 3.15Å; M388-S390 PolarHBondContact O-N 2.58Å; M388-T391 PolarHBondContact O-N 3.29Å; M388-T391 PolarHBondContact O-OG1 3.08Å; M388-F392 HydrophobicContact CB-CE2 4.23Å; M388-F392 WeakPolarHBondContact O-CD2 3.41Å; M388-F392 VanDerWaalsContact O-CE2 3.27Å; M388-F392 WeakPolarHBondContact O-CE2 3.42Å
389	L	50.7	Low	61.3	Low	105 Å²	105	97.1 Å²	97.1	55%	0.55	48%	0.478	S	S	.	.	H	α-helix	trans	-61.1	-34.4	175.7	-65.2	173.2	0	0	0	112.3	A386 T391 F392	A386-L389 HydrophobicContact CB-CD1 4.32Å; A386-L389 VanDerWaalsContact O-CB 3.23Å; A386-L389 WeakPolarHBondContact O-CB 3.25Å; A386-L389 PolarHBondContact O-N 2.96Å; L389-T391 VanDerWaalsContact C-N 3.27Å; L389-T391 PolarHBondContact O-N 3.2Å; L389-F392 HydrophobicContact CD2-CD2 4.38Å; L389-F392 PolarHBondContact O-N 3.23Å; L389-F392 VanDerWaalsContact O-N 3.11Å
390	S	52.1	Low	64.1	Low	65 Å²	65	88.9 Å²	88.9	46%	0.455	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-17.9	-179.5	76.5	0	0	0	0	114.5	R41 H387 M388	R41-S390 PolarHBondContact NH1-OG 3.3Å; R41-S390 VanDerWaalsContact NH1-OG 3.07Å; R41-S390 PolarHBondContact NH2-OG 3.16Å; R41-S390 VanDerWaalsContact NH2-OG 3.09Å; H387-S390 PolarHBondContact O-OG 2.86Å; M388-S390 PolarHBondContact O-N 2.58Å
391	T	54.9	Low	66.9	Low	11 Å²	11	85.7 Å²	85.7	7%	0.067	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-14.5	172.4	29.5	0	0	0	0	112.7	L45 G374 K375 M388 L389 R393	L45-T391 HydrophobicContact CD1-CG2 3.97Å; L45-T391 HydrophobicContact CD2-CG2 4.07Å; G374-T391 CarbonylContact C-O 3.52Å; G374-T391 VanDerWaalsContact CA-O 3.29Å; G374-T391 WeakPolarHBondContact CA-O 3.26Å; K375-T391 PolarHBondContact N-O 3.25Å; M388-T391 PolarHBondContact O-N 3.29Å; M388-T391 PolarHBondContact O-OG1 3.08Å; L389-T391 VanDerWaalsContact C-N 3.27Å; L389-T391 PolarHBondContact O-N 3.2Å; T391-R393 PolarHBondContact O-N 3.19Å
392	F	58.4	Low	69.6	Low	37 Å²	37	76.5 Å²	76.5	16%	0.162	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-79.6	117.7	179.8	-72.8	-65.6	0	0	0	110.8	K375 Y376 V377 V382 M388 L389	K375-F392 HydrophobicContact CB-CD1 4.16Å; K375-F392 HydrophobicContact CB-CE1 3.91Å; K375-F392 VanDerWaalsContact O-CA 3.23Å; K375-F392 WeakPolarHBondContact O-CA 3.39Å; K375-F392 VanDerWaalsContact O-CD1 3.31Å; K375-F392 WeakPolarHBondContact O-CD1 3.28Å; Y376-F392 VanDerWaalsContact C-CE1 3.48Å; Y376-F392 WeakPolarHBondContact O-CD1 3.43Å; Y376-F392 WeakPolarHBondContact O-CE1 3.38Å; V377-F392 HydrophobicContact CB-CD1 4.26Å; V377-F392 HydrophobicContact CG2-CB 3.56Å; V377-F392 HydrophobicContact CG2-CD1 3.57Å; V377-F392 HydrophobicContact CG2-CD2 4.25Å; V377-F392 HydrophobicContact CG2-CE1 4.4Å; V377-F392 HydrophobicContact CG2-CG 3.5Å; V377-F392 VanDerWaalsContact N-CD1 3.29Å; V382-F392 HydrophobicContact CB-CE2 4.38Å; V382-F392 HydrophobicContact CB-CZ 4.45Å; V382-F392 HydrophobicContact CG1-CE2 4.02Å; V382-F392 HydrophobicContact CG1-CZ 4.44Å; V382-F392 HydrophobicContact CG2-CE2 4.11Å; V382-F392 HydrophobicContact CG2-CZ 3.71Å; M388-F392 HydrophobicContact CB-CE2 4.23Å; M388-F392 WeakPolarHBondContact O-CD2 3.41Å; M388-F392 VanDerWaalsContact O-CE2 3.27Å; M388-F392 WeakPolarHBondContact O-CE2 3.42Å; L389-F392 HydrophobicContact CD2-CD2 4.38Å; L389-F392 PolarHBondContact O-N 3.23Å; L389-F392 VanDerWaalsContact O-N 3.11Å
393	R	68.2	Low	72.3	Confident	68 Å²	68	73.7 Å²	73.7	26%	0.257	35%	0.345	S	S	.	.			trans	-111.2	130.8	178.6	-59.5	-59.9	-169.4	161.6	-12.2	109	I370 D371 K372 K375 T391	I370-R393 HydrophobicContact CB-CB 4.13Å; I370-R393 HydrophobicContact CD1-CB 4.05Å; I370-R393 HydrophobicContact CG2-CB 4.32Å; D371-R393 VanDerWaalsContact OD1-CD 3.3Å; D371-R393 WeakPolarHBondContact OD1-CD 3.36Å; D371-R393 IonicContact OD1-CZ 3.12Å; D371-R393 IonicContact OD1-NE 3.73Å; D371-R393 IonicContact OD1-NH1 3.91Å; D371-R393 PolarHBondContact OD1-NH1 2.82Å; D371-R393 IonicContact OD2-CZ 2.63Å; D371-R393 IonicContact OD2-NH1 3.14Å; D371-R393 PolarHBondContact OD2-NH1 2.73Å; K372-R393 WeakPolarHBondContact O-CG 3.35Å; K375-R393 PolarHBondContact O-N 3.11Å; K375-R393 VanDerWaalsContact O-N 3.15Å; T391-R393 PolarHBondContact O-N 3.19Å
394	N	82.4	Confident	74.9	Confident	117 Å²	117	61.7 Å²	61.7	63%	0.626	30%	0.299	S	S	*	.			trans	-97.2	148.4	177.8	-154.4	-1.6	0	0	0	109.2
395	R	92.8	Very high	77.7	Confident	67 Å²	67	52.1 Å²	52.1	25%	0.253	26%	0.258	S	S	.	.			trans	-71.1	149.3	168.5	62.3	-177.7	-175.9	-97.7	5.4	109.5	Y74 H364 G367 L369	Y74-R395 VanDerWaalsContact CD2-NE 3.3Å; Y74-R395 HydrophobicContact CE2-CG 4.08Å; Y74-R395 VanDerWaalsContact CE2-NE 3.3Å; H364-R395 HydrophobicContact CB-CB 4.14Å; H364-R395 PolarHBondContact CE1-NH1 3.3Å; H364-R395 PolarHBondContact NE2-NH1 2.9Å; H364-R395 VanDerWaalsContact NE2-NH1 3.2Å; G367-R395 WeakPolarHBondContact O-CD 3.38Å; L369-R395 WeakPolarHBondContact O-CA 3.49Å
396	D	94.7	Very high	80.2	Confident	42 Å²	42	43.4 Å²	43.4	23%	0.225	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-148.1	165.2	169	66.7	72.9	0	0	0	111.5	Y74 L369 Y398 H399 T400	Y74-D396 WeakPolarHBondContact OH-CA 3.34Å; L369-D396 PolarHBondContact O-N 3.15Å; D396-Y398 WeakPolarHBondContact OD1-CA 3.35Å; D396-Y398 WeakPolarHBondContact OD1-CB 3.48Å; D396-Y398 PolarHBondContact OD1-N 3.35Å; D396-H399 VanDerWaalsContact CG-ND1 3.29Å; D396-H399 IonicContact OD1-CG 2.65Å; D396-H399 PolarHBondContact OD1-N 3.05Å; D396-H399 IonicContact OD1-ND1 3.79Å; D396-H399 PolarHBondContact OD1-ND1 3.16Å; D396-H399 VanDerWaalsContact OD1-ND1 3.16Å; D396-H399 IonicContact OD2-CE1 2.79Å; D396-H399 IonicContact OD2-CG 2.78Å; D396-H399 IonicContact OD2-ND1 3.12Å; D396-H399 PolarHBondContact OD2-ND1 3.3Å; D396-T400 VanDerWaalsContact O-CB 3.26Å; D396-T400 WeakPolarHBondContact O-CB 3.49Å; D396-T400 PolarHBondContact O-N 3.49Å; D396-T400 PolarHBondContact O-OG1 2.65Å
397	L	97.2	Very high	82.6	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64	-37.7	-177.7	-70.3	176	0	0	0	113.2	Y74 L75 C78 L82 Y86 M96 W99 V100 T400 C401	Y74-L397 HydrophobicContact CE1-CD2 4.08Å; Y74-L397 PolarHBondContact OH-N 3.05Å; L75-L397 HydrophobicContact CD2-CD2 3.91Å; C78-L397 HydrophobicContact CB-CD1 4.28Å; C78-L397 HydrophobicContact CB-CD2 3.82Å; C78-L397 HydrophobicContact CB-CG 4.46Å; L82-L397 HydrophobicContact CD2-CD1 3.85Å; Y86-L397 HydrophobicContact CE1-CD1 4.17Å; Y86-L397 HydrophobicContact CE1-CG 4.3Å; Y86-L397 PolarHBondContact OH-N 2.7Å; M96-L397 HydrophobicContact CB-CD1 3.96Å; M96-L397 HydrophobicContact CG-CD1 4.08Å; W99-L397 HydrophobicContact CB-CB 4.01Å; W99-L397 HydrophobicContact CD2-CB 4.39Å; W99-L397 HydrophobicContact CE3-CB 3.71Å; V100-L397 HydrophobicContact CG2-CD1 3.77Å; V100-L397 HydrophobicContact CG2-CD2 3.47Å; V100-L397 VanDerWaalsContact CG2-CD2 3.47Å; V100-L397 HydrophobicContact CG2-CG 4.22Å; L397-T400 PolarHBondContact O-N 2.87Å; L397-C401 VanDerWaalsContact O-CB 3.3Å; L397-C401 WeakPolarHBondContact O-CB 3.29Å; L397-C401 PolarHBondContact O-N 3.12Å
398	Y	97.7	Very high	84.9	Confident	60 Å²	60	32.5 Å²	32.5	24%	0.235	16%	0.16	C	C	.	.	H	α-helix	trans	-65.1	-53.8	-178.6	166.6	-90.7	0	0	0	110.7	W99 C292 W296 D396 T400 C401 Y402	W99-Y398 AromaticContact CE2-CD2 3.87Å; W99-Y398 HydrophobicContact CH2-CD2 4.31Å; W99-Y398 AromaticContact CZ2-CD2 3.58Å; W99-Y398 HydrophobicContact CZ2-CD2 3.58Å; W99-Y398 HydrophobicContact CZ2-CG 4.19Å; C292-Y398 HydrophobicContact CB-CE1 3.55Å; W296-Y398 HydrophobicContact CZ2-CE2 4.49Å; W296-Y398 PolarHBondContact NE1-OH 3.11Å; D396-Y398 WeakPolarHBondContact OD1-CA 3.35Å; D396-Y398 WeakPolarHBondContact OD1-CB 3.48Å; D396-Y398 PolarHBondContact OD1-N 3.35Å; Y398-T400 VanDerWaalsContact C-N 3.31Å; Y398-T400 PolarHBondContact O-N 2.74Å; Y398-C401 PolarHBondContact O-N 3.46Å; Y398-Y402 HydrophobicContact CD1-CD2 4.45Å; Y398-Y402 AromaticContact CD2-CD2 3.35Å; Y398-Y402 HydrophobicContact CD2-CD2 3.35Å; Y398-Y402 AromaticContact CD2-CE2 3.34Å; Y398-Y402 HydrophobicContact CD2-CE2 3.34Å; Y398-Y402 HydrophobicContact CE1-CD2 4.37Å; Y398-Y402 AromaticContact CE2-CD2 3.24Å; Y398-Y402 HydrophobicContact CE2-CD2 3.24Å; Y398-Y402 AromaticContact CE2-CE2 3.19Å; Y398-Y402 HydrophobicContact CE2-CE2 3.19Å; Y398-Y402 HydrophobicContact CE2-CG 4.29Å; Y398-Y402 AromaticContact CG-CD2 3.98Å; Y398-Y402 HydrophobicContact CG-CD2 3.98Å; Y398-Y402 HydrophobicContact CG-CE2 4.35Å; Y398-Y402 AromaticContact CZ-CD2 3.78Å; Y398-Y402 WeakPolarHBondContact O-CD2 3.25Å; Y398-Y402 PolarHBondContact O-N 2.95Å
399	H	98.2	Very high	87.2	Confident	25 Å²	25	29 Å²	29	12%	0.116	14%	0.143	C	C	.	.	H	α-helix	trans	-66.7	-34.7	178.7	-67.9	98.2	0	0	0	111.4	D290 D371 D396 T403	D290-H399 IonicContact OD1-CD2 2.73Å; D290-H399 IonicContact OD1-NE2 2.65Å; D371-H399 VanDerWaalsContact CA-CD2 3.49Å; D371-H399 WeakPolarHBondContact CA-CD2 3.47Å; D371-H399 VanDerWaalsContact CB-CE1 3.47Å; D371-H399 WeakPolarHBondContact CB-CE1 3.34Å; D371-H399 VanDerWaalsContact CB-NE2 3.31Å; D371-H399 WeakPolarHBondContact CB-NE2 3.19Å; D396-H399 VanDerWaalsContact CG-ND1 3.29Å; D396-H399 IonicContact OD1-CG 2.65Å; D396-H399 PolarHBondContact OD1-N 3.05Å; D396-H399 IonicContact OD1-ND1 3.79Å; D396-H399 PolarHBondContact OD1-ND1 3.16Å; D396-H399 VanDerWaalsContact OD1-ND1 3.16Å; D396-H399 IonicContact OD2-CE1 2.79Å; D396-H399 IonicContact OD2-CG 2.78Å; D396-H399 IonicContact OD2-ND1 3.12Å; D396-H399 PolarHBondContact OD2-ND1 3.3Å; H399-T403 WeakPolarHBondContact O-CB 3.07Å; H399-T403 PolarHBondContact O-N 2.86Å; H399-T403 PolarHBondContact O-OG1 3.03Å
400	T	98.5	Very high	89.4	Confident	0 Å²	0	24 Å²	24	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-57.9	-51.8	172.8	-58.9	0	0	0	0	111.3	Y74 L75 G368 L369 D396 L397 Y398 L404	Y74-T400 HydrophobicContact CE1-CG2 4.48Å; L75-T400 HydrophobicContact CD1-CG2 4.42Å; L75-T400 HydrophobicContact CD2-CG2 3.92Å; L75-T400 HydrophobicContact CG-CG2 4.36Å; G368-T400 VanDerWaalsContact CA-OG1 3.22Å; G368-T400 WeakPolarHBondContact CA-OG1 3.47Å; L369-T400 HydrophobicContact CD1-CG2 3.88Å; L369-T400 PolarHBondContact N-OG1 3.41Å; D396-T400 VanDerWaalsContact O-CB 3.26Å; D396-T400 WeakPolarHBondContact O-CB 3.49Å; D396-T400 PolarHBondContact O-N 3.49Å; D396-T400 PolarHBondContact O-OG1 2.65Å; L397-T400 PolarHBondContact O-N 2.87Å; Y398-T400 VanDerWaalsContact C-N 3.31Å; Y398-T400 PolarHBondContact O-N 2.74Å; T400-L404 HydrophobicContact CG2-CD1 4.1Å; T400-L404 WeakPolarHBondContact O-CB 3.46Å; T400-L404 WeakPolarHBondContact O-CD1 3.36Å; T400-L404 WeakPolarHBondContact O-CG 3.05Å; T400-L404 PolarHBondContact O-N 3.06Å
401	C	98.8	Very high	91.4	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-62.2	-59.2	-179.8	176	0	0	0	0	111.5	W99 H102 L397 Y398 T403 L404 S405	W99-C401 HydrophobicContact CB-CB 3.76Å; W99-C401 HydrophobicContact CG-CB 3.98Å; H102-C401 VanDerWaalsContact CD2-SG 3.57Å; L397-C401 VanDerWaalsContact O-CB 3.3Å; L397-C401 WeakPolarHBondContact O-CB 3.29Å; L397-C401 PolarHBondContact O-N 3.12Å; Y398-C401 PolarHBondContact O-N 3.46Å; C401-T403 PolarHBondContact O-N 3.4Å; C401-L404 PolarHBondContact O-N 3.31Å; C401-S405 PolarHBondContact O-N 2.84Å; C401-S405 PolarHBondContact O-OG 3.34Å
402	Y	98.8	Very high	93.3	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.008	10%	0.096	C	C	.	.	H	α-helix	trans	-69.9	-30.8	-173.2	-75.8	-72.4	0	0	0	113.7	W95 W99 F295 W296 Y398 S405 G406 N439	W95-Y402 WeakPolarHBondContact CZ3-OH 3.21Å; W99-Y402 AromaticContact NE1-CE2 3.5Å; F295-Y402 HydrophobicContact CB-CD1 4.18Å; F295-Y402 WeakPolarHBondContact CB-O 3.4Å; F295-Y402 AromaticContact CD1-CD1 3.39Å; F295-Y402 HydrophobicContact CD1-CD1 3.39Å; F295-Y402 AromaticContact CD1-CE1 3.74Å; F295-Y402 HydrophobicContact CD1-CE1 3.74Å; F295-Y402 HydrophobicContact CE1-CD1 4Å; F295-Y402 AromaticContact CE1-CE1 3.87Å; F295-Y402 HydrophobicContact CE1-CE1 3.87Å; F295-Y402 AromaticContact CG-CD1 3.91Å; F295-Y402 HydrophobicContact CG-CD1 3.91Å; W296-Y402 AromaticContact CE2-CE1 3.95Å; W296-Y402 HydrophobicContact CH2-CD1 4.44Å; W296-Y402 AromaticContact CH2-CE1 3.56Å; W296-Y402 HydrophobicContact CH2-CE1 3.56Å; W296-Y402 AromaticContact CH2-CZ 3.72Å; W296-Y402 AromaticContact CZ2-CD1 3.91Å; W296-Y402 HydrophobicContact CZ2-CD1 3.91Å; W296-Y402 HydrophobicContact CZ2-CD2 4.5Å; W296-Y402 AromaticContact CZ2-CE1 3.34Å; W296-Y402 HydrophobicContact CZ2-CE1 3.34Å; W296-Y402 HydrophobicContact CZ2-CE2 4.04Å; W296-Y402 HydrophobicContact CZ2-CG 4.44Å; W296-Y402 AromaticContact CZ2-CZ 3.41Å; W296-Y402 VanDerWaalsContact CZ2-CZ 3.41Å; W296-Y402 HydrophobicContact CZ3-CE1 4.3Å; Y398-Y402 HydrophobicContact CD1-CD2 4.45Å; Y398-Y402 AromaticContact CD2-CD2 3.35Å; Y398-Y402 HydrophobicContact CD2-CD2 3.35Å; Y398-Y402 AromaticContact CD2-CE2 3.34Å; Y398-Y402 HydrophobicContact CD2-CE2 3.34Å; Y398-Y402 HydrophobicContact CE1-CD2 4.37Å; Y398-Y402 AromaticContact CE2-CD2 3.24Å; Y398-Y402 HydrophobicContact CE2-CD2 3.24Å; Y398-Y402 AromaticContact CE2-CE2 3.19Å; Y398-Y402 HydrophobicContact CE2-CE2 3.19Å; Y398-Y402 HydrophobicContact CE2-CG 4.29Å; Y398-Y402 AromaticContact CG-CD2 3.98Å; Y398-Y402 HydrophobicContact CG-CD2 3.98Å; Y398-Y402 HydrophobicContact CG-CE2 4.35Å; Y398-Y402 AromaticContact CZ-CD2 3.78Å; Y398-Y402 WeakPolarHBondContact O-CD2 3.25Å; Y398-Y402 PolarHBondContact O-N 2.95Å; Y402-S405 PolarHBondContact O-N 2.84Å; Y402-G406 PolarHBondContact O-N 3.49Å; Y402-N439 WeakPolarHBondContact CE1-ND2 3.32Å
403	T	98.8	Very high	94.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-71.8	-38	175.7	-49.1	0	0	0	0	110.9	G291 V358 C362 L369 H399 C401 G406 L407	G291-T403 VanDerWaalsContact C-OG1 3.3Å; G291-T403 PolarHBondContact O-OG1 3.47Å; V358-T403 HydrophobicContact CB-CG2 4.3Å; V358-T403 HydrophobicContact CG1-CG2 3.77Å; V358-T403 HydrophobicContact CG2-CG2 3.68Å; C362-T403 HydrophobicContact CB-CG2 4.15Å; L369-T403 HydrophobicContact CD2-CG2 3.48Å; L369-T403 VanDerWaalsContact CD2-CG2 3.48Å; H399-T403 WeakPolarHBondContact O-CB 3.07Å; H399-T403 PolarHBondContact O-N 2.86Å; H399-T403 PolarHBondContact O-OG1 3.03Å; C401-T403 PolarHBondContact O-N 3.4Å; T403-G406 PolarHBondContact O-N 3.42Å; T403-L407 PolarHBondContact O-N 3.38Å
404	L	98.9	Very high	95.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-65.7	-37.7	171.1	-71.5	172	0	0	0	112.1	L66 L106 L107 L369 T400 C401 G406 L407 S408 V431	L66-L404 HydrophobicContact CD1-CD2 4.13Å; L106-L404 HydrophobicContact CD1-CB 3.89Å; L107-L404 HydrophobicContact CD1-CD1 4.22Å; L107-L404 HydrophobicContact CD2-CD1 4.17Å; L107-L404 HydrophobicContact CD2-CD2 4.07Å; L107-L404 HydrophobicContact CG-CD1 4.11Å; L369-L404 HydrophobicContact CD1-CD1 4.31Å; L369-L404 HydrophobicContact CD1-CD2 4.21Å; L369-L404 HydrophobicContact CD1-CG 3.89Å; T400-L404 HydrophobicContact CG2-CD1 4.1Å; T400-L404 WeakPolarHBondContact O-CB 3.46Å; T400-L404 WeakPolarHBondContact O-CD1 3.36Å; T400-L404 WeakPolarHBondContact O-CG 3.05Å; T400-L404 PolarHBondContact O-N 3.06Å; C401-L404 PolarHBondContact O-N 3.31Å; L404-G406 VanDerWaalsContact C-N 3.3Å; L404-G406 PolarHBondContact O-N 2.98Å; L404-L407 HydrophobicContact CD2-CD2 4.42Å; L404-L407 WeakPolarHBondContact O-CB 3.3Å; L404-L407 PolarHBondContact O-N 2.9Å; L404-S408 PolarHBondContact O-N 3.4Å; L404-V431 HydrophobicContact CD2-CG1 4.36Å
405	S	98.9	Very high	94.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-60.4	-41.9	171.8	-52.7	0	0	0	0	111.3	H102 C401 Y402 S408 I409 N439	H102-S405 PolarHBondContact NE2-OG 3.37Å; C401-S405 PolarHBondContact O-N 2.84Å; C401-S405 PolarHBondContact O-OG 3.34Å; Y402-S405 PolarHBondContact O-N 2.84Å; S405-S408 WeakPolarHBondContact O-CB 3.07Å; S405-S408 PolarHBondContact O-N 2.8Å; S405-I409 PolarHBondContact O-N 2.66Å; S405-N439 WeakPolarHBondContact CB-OD1 3.47Å; S405-N439 PolarHBondContact OG-ND2 3.37Å; S405-N439 VanDerWaalsContact OG-ND2 3.1Å; S405-N439 PolarHBondContact OG-OD1 2.87Å
406	G	98.5	Very high	93.2	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-64.7	-40.8	175.1	0	0	0	0	0	113.4	S294 Y402 T403 L404 S408 I409 A410	S294-G406 WeakPolarHBondContact O-CA 2.94Å; Y402-G406 PolarHBondContact O-N 3.49Å; T403-G406 PolarHBondContact O-N 3.42Å; L404-G406 VanDerWaalsContact C-N 3.3Å; L404-G406 PolarHBondContact O-N 2.98Å; G406-S408 VanDerWaalsContact C-N 3.29Å; G406-S408 PolarHBondContact O-N 3.08Å; G406-I409 PolarHBondContact O-N 2.71Å; G406-A410 WeakPolarHBondContact O-CB 3.47Å; G406-A410 PolarHBondContact O-N 2.96Å
407	L	98.4	Very high	91.9	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-59.2	-41.9	172	-176.2	64.4	0	0	0	111.4	L66 Q355 V358 L359 T403 L404 A410 Q411 V431	L66-L407 HydrophobicContact CD1-CD2 4.14Å; Q355-L407 HydrophobicContact CB-CD1 4.2Å; Q355-L407 HydrophobicContact CG-CD1 3.84Å; V358-L407 HydrophobicContact CB-CD1 4.36Å; V358-L407 HydrophobicContact CG1-CB 4.24Å; V358-L407 HydrophobicContact CG1-CD1 4.26Å; V358-L407 HydrophobicContact CG1-CD2 4.3Å; L359-L407 HydrophobicContact CD2-CD2 4.37Å; T403-L407 PolarHBondContact O-N 3.38Å; L404-L407 HydrophobicContact CD2-CD2 4.42Å; L404-L407 WeakPolarHBondContact O-CB 3.3Å; L404-L407 PolarHBondContact O-N 2.9Å; L407-A410 PolarHBondContact O-N 3.13Å; L407-Q411 HydrophobicContact CD1-CG 4.37Å; L407-Q411 HydrophobicContact CG-CG 4.48Å; L407-Q411 WeakPolarHBondContact O-CB 3.3Å; L407-Q411 VanDerWaalsContact O-CG 3.28Å; L407-Q411 WeakPolarHBondContact O-CG 3.29Å; L407-Q411 PolarHBondContact O-N 2.75Å; L407-V431 HydrophobicContact CB-CG2 4.43Å; L407-V431 HydrophobicContact CD2-CG1 4.18Å; L407-V431 HydrophobicContact CD2-CG2 4.42Å; L407-V431 HydrophobicContact CG-CG2 4.24Å
408	S	98.2	Very high	90.4	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.007	12%	0.117	C	C	.	.	H	α-helix	trans	-59.7	-50	174	-177.8	0	0	0	0	111.3	L404 S405 G406 A410 Q411 H412 V431 R432 R433 I434	L404-S408 PolarHBondContact O-N 3.4Å; S405-S408 WeakPolarHBondContact O-CB 3.07Å; S405-S408 PolarHBondContact O-N 2.8Å; G406-S408 VanDerWaalsContact C-N 3.29Å; G406-S408 PolarHBondContact O-N 3.08Å; S408-A410 VanDerWaalsContact C-N 3.31Å; S408-A410 PolarHBondContact O-N 2.87Å; S408-Q411 PolarHBondContact O-N 3.39Å; S408-H412 VanDerWaalsContact O-CB 3.27Å; S408-H412 WeakPolarHBondContact O-CB 3.08Å; S408-H412 PolarHBondContact O-CD2 2.64Å; S408-H412 PolarHBondContact O-N 3.44Å; S408-V431 VanDerWaalsContact CA-CG2 3.49Å; S408-R432 WeakPolarHBondContact CB-O 3.43Å; S408-R432 PolarHBondContact OG-O 2.72Å; S408-R433 WeakPolarHBondContact OG-CA 3.34Å; S408-I434 PolarHBondContact OG-N 3.46Å
409	I	96.9	Very high	89.2	Confident	8 Å²	8	23.2 Å²	23.2	4%	0.041	12%	0.124	C	C	.	.	H	α-helix	trans	-57.9	-45.2	177	-61.4	-61.3	0	0	0	111	F295 A298 A299 Q302 S405 G406 Q411 H412 F413 I434 P436	F295-I409 HydrophobicContact CD2-CG1 4.43Å; A298-I409 HydrophobicContact CB-CB 4.17Å; A298-I409 HydrophobicContact CB-CG2 3.72Å; A299-I409 HydrophobicContact CB-CD1 4.36Å; A299-I409 HydrophobicContact CB-CG1 4.16Å; Q302-I409 HydrophobicContact CB-CG2 4.08Å; S405-I409 PolarHBondContact O-N 2.66Å; G406-I409 PolarHBondContact O-N 2.71Å; I409-Q411 PolarHBondContact O-N 3.24Å; I409-H412 CarbonylContact O-C 3.57Å; I409-H412 PolarHBondContact O-N 2.86Å; I409-F413 VanDerWaalsContact O-CA 3.28Å; I409-F413 WeakPolarHBondContact O-CA 3.28Å; I409-F413 VanDerWaalsContact O-CB 3.29Å; I409-F413 WeakPolarHBondContact O-CB 3.15Å; I409-F413 PolarHBondContact O-N 3.06Å; I409-I434 HydrophobicContact CD1-CD1 3.88Å; I409-I434 HydrophobicContact CD1-CG1 3.76Å; I409-I434 HydrophobicContact CG1-CD1 4.06Å; I409-I434 HydrophobicContact CG1-CG1 4.37Å; I409-P436 HydrophobicContact CD1-CB 3.95Å
410	A	95.6	Very high	88.5	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.008	16%	0.157	C	C	.	.	H	α-helix	trans	-65.8	-35.1	-178.8	0	0	0	0	0	113.7	C351 L354 Q355 G406 L407 S408	C351-A410 WeakPolarHBondContact CB-O 3.44Å; L354-A410 HydrophobicContact CB-CB 4.39Å; L354-A410 HydrophobicContact CD2-CB 3.88Å; L354-A410 HydrophobicContact CG-CB 4.26Å; Q355-A410 HydrophobicContact CG-CB 3.79Å; Q355-A410 PolarHBondContact NE2-O 2.87Å; G406-A410 WeakPolarHBondContact O-CB 3.47Å; G406-A410 PolarHBondContact O-N 2.96Å; L407-A410 PolarHBondContact O-N 3.13Å; S408-A410 VanDerWaalsContact C-N 3.31Å; S408-A410 PolarHBondContact O-N 2.87Å
411	Q	95.2	Very high	88.1	Confident	2 Å²	2	32.2 Å²	32.2	1%	0.009	17%	0.17	C	C	.	.	H	α-helix	trans	-74.7	-33.8	177.5	-74.6	174.6	-7.8	0	0	112.4	Q355 L407 S408 I409 P421 T422 V423 N429	Q355-Q411 HydrophobicContact CG-CG 4.27Å; L407-Q411 HydrophobicContact CD1-CG 4.37Å; L407-Q411 HydrophobicContact CG-CG 4.48Å; L407-Q411 WeakPolarHBondContact O-CB 3.3Å; L407-Q411 VanDerWaalsContact O-CG 3.28Å; L407-Q411 WeakPolarHBondContact O-CG 3.29Å; L407-Q411 PolarHBondContact O-N 2.75Å; S408-Q411 PolarHBondContact O-N 3.39Å; I409-Q411 PolarHBondContact O-N 3.24Å; Q411-P421 CarbonylContact O-C 3.57Å; Q411-P421 WeakPolarHBondContact O-CA 3.38Å; Q411-P421 WeakPolarHBondContact O-CB 3.42Å; Q411-T422 WeakPolarHBondContact CA-O 3.3Å; Q411-T422 PolarHBondContact O-N 3.19Å; Q411-V423 HydrophobicContact CG-CG2 4.42Å; Q411-N429 PolarHBondContact NE2-O 3.26Å
412	H	94	Very high	87.7	Confident	17 Å²	17	36 Å²	36	8%	0.079	19%	0.193	C	C	.	.	H	α-helix	trans	-107.4	9.1	-172	-68.5	-75	0	0	0	113.2	S408 I409 D414 E430 V431 R433	S408-H412 VanDerWaalsContact O-CB 3.27Å; S408-H412 WeakPolarHBondContact O-CB 3.08Å; S408-H412 PolarHBondContact O-CD2 2.64Å; S408-H412 PolarHBondContact O-N 3.44Å; I409-H412 CarbonylContact O-C 3.57Å; I409-H412 PolarHBondContact O-N 2.86Å; H412-D414 PolarHBondContact O-N 3.33Å; H412-E430 IonicContact CE1-OE1 3.66Å; H412-V431 PolarHBondContact NE2-O 3.35Å; H412-R433 HydrophobicContact CB-CB 4.34Å; H412-R433 HydrophobicContact CB-CG 3.85Å; H412-R433 PolarHBondContact O-NH2 3.21Å
413	F	90	Very high	87.4	Confident	39 Å²	39	37.6 Å²	37.6	17%	0.171	20%	0.203	C	C	.	.			trans	-59.3	111.4	-177.2	-174.1	-92.1	0	0	0	109.2	Y301 Q302 C305 M348 F349 C351 I409 P415	Y301-F413 HydrophobicContact CD1-CE2 4.25Å; Y301-F413 HydrophobicContact CD1-CZ 4.22Å; Q302-F413 HydrophobicContact CB-CD2 4.25Å; Q302-F413 HydrophobicContact CB-CE2 4.15Å; C305-F413 HydrophobicContact CB-CZ 4.17Å; M348-F413 HydrophobicContact CB-CE1 3.75Å; M348-F413 HydrophobicContact CB-CZ 3.58Å; M348-F413 HydrophobicContact CG-CZ 4.39Å; M348-F413 HydrophobicContact SD-CE1 4.25Å; M348-F413 HydrophobicContact SD-CZ 4.02Å; F349-F413 HydrophobicContact CD1-CD2 4.2Å; F349-F413 AromaticContact CD1-CE2 3.94Å; F349-F413 HydrophobicContact CD1-CE2 3.94Å; F349-F413 HydrophobicContact CD1-CZ 4.39Å; F349-F413 AromaticContact CE1-CD2 3.31Å; F349-F413 HydrophobicContact CE1-CD2 3.31Å; F349-F413 AromaticContact CE1-CE2 3.45Å; F349-F413 HydrophobicContact CE1-CE2 3.45Å; F349-F413 VanDerWaalsContact CE1-CE2 3.45Å; F349-F413 HydrophobicContact CE1-CG 4.03Å; F349-F413 HydrophobicContact CE1-CZ 4.27Å; F349-F413 AromaticContact CZ-CD2 3.94Å; F349-F413 HydrophobicContact CZ-CD2 3.94Å; F349-F413 HydrophobicContact CZ-CE2 4.48Å; F349-F413 HydrophobicContact CZ-CG 4.39Å; C351-F413 VanDerWaalsContact SG-CB 3.55Å; I409-F413 VanDerWaalsContact O-CA 3.28Å; I409-F413 WeakPolarHBondContact O-CA 3.28Å; I409-F413 VanDerWaalsContact O-CB 3.29Å; I409-F413 WeakPolarHBondContact O-CB 3.15Å; I409-F413 PolarHBondContact O-N 3.06Å; F413-P415 HydrophobicContact CE1-CG 4.14Å; F413-P415 HydrophobicContact CZ-CG 4.4Å
414	D	80	Confident	87	Confident	14 Å²	14	38.4 Å²	38.4	8%	0.075	21%	0.208	C	C	.	.			trans	-160.4	110.7	-177.9	173.4	19.9	0	0	0	108.5	Q302 H412 S416 E417 Q418 A419	Q302-D414 PolarHBondContact NE2-O 3.23Å; H412-D414 PolarHBondContact O-N 3.33Å; D414-S416 VanDerWaalsContact CG-OG 3.26Å; D414-S416 PolarHBondContact O-N 3.26Å; D414-S416 WeakPolarHBondContact OD1-CB 3.31Å; D414-S416 PolarHBondContact OD1-N 3.04Å; D414-S416 PolarHBondContact OD1-OG 2.79Å; D414-S416 PolarHBondContact OD2-OG 3.45Å; D414-S416 VanDerWaalsContact OD2-OG 3.11Å; D414-E417 VanDerWaalsContact CG-N 3.33Å; D414-E417 PolarHBondContact O-N 2.89Å; D414-E417 WeakPolarHBondContact OD2-CA 3.41Å; D414-E417 PolarHBondContact OD2-N 3.22Å; D414-Q418 PolarHBondContact OD2-N 3.14Å; D414-A419 HydrophobicContact CB-CB 3.96Å; D414-A419 VanDerWaalsContact CG-CB 3.45Å; D414-A419 VanDerWaalsContact OD2-CB 3.25Å; D414-A419 WeakPolarHBondContact OD2-CB 3.25Å; D414-A419 PolarHBondContact OD2-N 3.24Å
415	P	65.5	Low	86.6	Confident	18 Å²	18	40.1 Å²	40.1	12%	0.117	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-19.3	176.9	-22.3	34	0	0	0	114.1	C305 S309 L316 M348 F413	C305-P415 HydrophobicContact CB-CG 4.21Å; S309-P415 WeakPolarHBondContact OG-CB 3.48Å; L316-P415 HydrophobicContact CD2-CB 4.07Å; L316-P415 HydrophobicContact CD2-CG 4.1Å; M348-P415 HydrophobicContact SD-CG 3.96Å; F413-P415 HydrophobicContact CE1-CG 4.14Å; F413-P415 HydrophobicContact CZ-CG 4.4Å
416	S	65.6	Low	86.2	Confident	55 Å²	55	43.1 Å²	43.1	39%	0.385	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-11.6	179.6	74.2	0	0	0	0	114.8	D414 Q418	D414-S416 VanDerWaalsContact CG-OG 3.26Å; D414-S416 PolarHBondContact O-N 3.26Å; D414-S416 WeakPolarHBondContact OD1-CB 3.31Å; D414-S416 PolarHBondContact OD1-N 3.04Å; D414-S416 PolarHBondContact OD1-OG 2.79Å; D414-S416 PolarHBondContact OD2-OG 3.45Å; D414-S416 VanDerWaalsContact OD2-OG 3.11Å; S416-Q418 PolarHBondContact O-N 2.9Å; S416-Q418 VanDerWaalsContact O-N 3.11Å; S416-Q418 PolarHBondContact OG-N 3.48Å
417	E	66.2	Low	85.9	Confident	81 Å²	81	51.3 Å²	51.3	38%	0.379	28%	0.277	S	S	.	.	S	Bend	trans	58.1	4.4	-171.3	-55.5	-167	164.3	0	0	117.2	Q306 D414 R433	Q306-E417 PolarHBondContact NE2-OE1 2.8Å; D414-E417 VanDerWaalsContact CG-N 3.33Å; D414-E417 PolarHBondContact O-N 2.89Å; D414-E417 WeakPolarHBondContact OD2-CA 3.41Å; D414-E417 PolarHBondContact OD2-N 3.22Å; E417-R433 PolarHBondContact O-NH1 3.4Å
418	Q	65.8	Low	85.6	Confident	176 Å²	176	53.9 Å²	53.9	82%	0.822	30%	0.295	S	S	*	.			trans	-99.9	-15.4	-176.2	-66.3	173.8	20.2	0	0	115	D414 S416	D414-Q418 PolarHBondContact OD2-N 3.14Å; S416-Q418 PolarHBondContact O-N 2.9Å; S416-Q418 VanDerWaalsContact O-N 3.11Å; S416-Q418 PolarHBondContact OG-N 3.48Å
419	A	73.2	Confident	85.5	Confident	48 Å²	48	53.9 Å²	53.9	40%	0.397	30%	0.295	S	S	.	.	S	Bend	trans	-75.4	148.2	-174.3	0	0	0	0	0	112.6	D414	D414-A419 HydrophobicContact CB-CB 3.96Å; D414-A419 VanDerWaalsContact CG-CB 3.45Å; D414-A419 VanDerWaalsContact OD2-CB 3.25Å; D414-A419 WeakPolarHBondContact OD2-CB 3.25Å; D414-A419 PolarHBondContact OD2-N 3.24Å
420	H	83.3	Confident	85.6	Confident	171 Å²	171	56.3 Å²	56.3	79%	0.792	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-66.6	149.4	167.8	-69	-59.6	0	0	0	111.1
421	P	89.2	Confident	85.7	Confident	44 Å²	44	56.4 Å²	56.4	29%	0.286	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-63.3	139.4	179.2	26.1	-34.2	0	0	0	111.6	Q411 V423	Q411-P421 CarbonylContact O-C 3.57Å; Q411-P421 WeakPolarHBondContact O-CA 3.38Å; Q411-P421 WeakPolarHBondContact O-CB 3.42Å; P421-V423 HydrophobicContact CB-CG2 4.1Å
422	T	90.6	Very high	85.8	Confident	78 Å²	78	61 Å²	61	48%	0.479	32%	0.324	S	S	.	.			trans	-95.8	101.5	170.4	-63.1	0	0	0	0	108.4	Q355 Q411	Q355-T422 PolarHBondContact NE2-O 2.93Å; Q355-T422 PolarHBondContact OE1-O 2.96Å; Q411-T422 WeakPolarHBondContact CA-O 3.3Å; Q411-T422 PolarHBondContact O-N 3.19Å
423	V	92.7	Very high	86	Confident	37 Å²	37	63.1 Å²	63.1	22%	0.224	33%	0.331	C	S	.	.			trans	-104.7	124.6	-175.6	-177.9	0	0	0	0	110.2	Q411 P421 L426 N429 E430	Q411-V423 HydrophobicContact CG-CG2 4.42Å; P421-V423 HydrophobicContact CB-CG2 4.1Å; V423-L426 WeakPolarHBondContact CG1-O 3.46Å; V423-N429 HydrophobicContact CG1-CB 3.81Å; V423-E430 HydrophobicContact CG2-CB 4.04Å; V423-E430 HydrophobicContact CG2-CG 4.12Å
424	V	91.3	Very high	86.3	Confident	17 Å²	17	61.5 Å²	61.5	10%	0.103	32%	0.324	C	S	.	.	S	Bend	trans	-74.6	126.8	169	171.5	0	0	0	0	109.5	P64 K352 Q355 N356 L359 N429	P64-V424 HydrophobicContact CG-CG1 4.34Å; K352-V424 HydrophobicContact CB-CG2 4.14Å; K352-V424 HydrophobicContact CG-CG2 4.11Å; Q355-V424 HydrophobicContact CB-CB 3.99Å; Q355-V424 HydrophobicContact CB-CG2 3.74Å; Q355-V424 HydrophobicContact CG-CG2 4.39Å; N356-V424 WeakPolarHBondContact OD1-CG1 3.32Å; L359-V424 HydrophobicContact CD1-CB 4.41Å; L359-V424 HydrophobicContact CD1-CG1 4.36Å; V424-N429 PolarHBondContact O-ND2 3.44Å
425	G	89.3	Confident	87.1	Confident	35 Å²	35	62.7 Å²	62.7	36%	0.361	33%	0.329	S	S	.	.	S	Bend	trans	82.5	-145.4	-178.9	0	0	0	0	0	113.3	C63	C63-G425 WeakPolarHBondContact SG-CA 3.25Å
426	L	90.7	Very high	88.6	Confident	63 Å²	63	62.2 Å²	62.2	33%	0.33	33%	0.326	S	S	.	.			trans	-70.5	152.7	-178.1	-61.4	179.6	0	0	0	111.4	D61 V423 S428 N429	D61-L426 WeakPolarHBondContact OD2-CD1 3.47Å; V423-L426 WeakPolarHBondContact CG1-O 3.46Å; L426-S428 WeakPolarHBondContact CB-OG 3.19Å; L426-S428 PolarHBondContact O-N 3.21Å; L426-N429 WeakPolarHBondContact O-CB 3.44Å; L426-N429 PolarHBondContact O-N 3.16Å
427	K	91.7	Very high	90.1	Very high	173 Å²	173	60.3 Å²	60.3	75%	0.752	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-54.6	-27.9	170.8	-173.8	176.3	-178.6	178.5	0	112.4	N429 E430	K427-N429 PolarHBondContact O-N 3.27Å; K427-N429 VanDerWaalsContact O-N 3.13Å; K427-E430 VanDerWaalsContact O-CB 3.29Å; K427-E430 WeakPolarHBondContact O-CB 3.48Å; K427-E430 PolarHBondContact O-N 2.94Å; K427-E430 VanDerWaalsContact O-N 3.08Å
428	S	93.8	Very high	91.6	Very high	54 Å²	54	57 Å²	57	38%	0.378	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-63.9	-9.7	173.5	59.9	0	0	0	0	113.5	R68 L426 E430	R68-S428 PolarHBondContact NH1-O 2.82Å; R68-S428 PolarHBondContact NH2-O 3.31Å; L426-S428 WeakPolarHBondContact CB-OG 3.19Å; L426-S428 PolarHBondContact O-N 3.21Å; S428-E430 VanDerWaalsContact C-N 3.3Å
429	N	96.1	Very high	93.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-80	-11.6	171.8	-68.8	-17.8	0	0	0	113.6	P64 K65 L66 Q411 V423 V424 L426 K427 V431	P64-N429 PolarHBondContact O-ND2 3Å; K65-N429 WeakPolarHBondContact CA-OD1 3.35Å; L66-N429 HydrophobicContact CB-CB 4.37Å; L66-N429 PolarHBondContact N-OD1 2.78Å; Q411-N429 PolarHBondContact NE2-O 3.26Å; V423-N429 HydrophobicContact CG1-CB 3.81Å; V424-N429 PolarHBondContact O-ND2 3.44Å; L426-N429 WeakPolarHBondContact O-CB 3.44Å; L426-N429 PolarHBondContact O-N 3.16Å; K427-N429 PolarHBondContact O-N 3.27Å; K427-N429 VanDerWaalsContact O-N 3.13Å; N429-V431 PolarHBondContact O-N 3.05Å
430	E	97.6	Very high	94.4	Very high	60 Å²	60	46.3 Å²	46.3	28%	0.28	24%	0.237	S	C	.	.			trans	-61.5	131.1	-178	-166.6	-176.5	162.4	0	0	111.3	R68 H412 V423 K427 S428	R68-E430 PolarHBondContact NH2-O 3.35Å; H412-E430 IonicContact CE1-OE1 3.66Å; V423-E430 HydrophobicContact CG2-CB 4.04Å; V423-E430 HydrophobicContact CG2-CG 4.12Å; K427-E430 VanDerWaalsContact O-CB 3.29Å; K427-E430 WeakPolarHBondContact O-CB 3.48Å; K427-E430 PolarHBondContact O-N 2.94Å; K427-E430 VanDerWaalsContact O-N 3.08Å; S428-E430 VanDerWaalsContact C-N 3.3Å
431	V	98.4	Very high	95.1	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.018	20%	0.2	C	C	.	.			trans	-107.7	157.3	167.8	-64.3	0	0	0	0	109.7	L66 L106 L107 L404 L407 S408 H412 N429	L66-V431 HydrophobicContact CD2-CG1 3.86Å; L106-V431 HydrophobicContact CD2-CB 4.5Å; L106-V431 HydrophobicContact CD2-CG2 4.46Å; L106-V431 WeakPolarHBondContact O-CA 3.18Å; L106-V431 WeakPolarHBondContact O-CB 3.23Å; L107-V431 HydrophobicContact CD2-CG1 4.26Å; L404-V431 HydrophobicContact CD2-CG1 4.36Å; L407-V431 HydrophobicContact CB-CG2 4.43Å; L407-V431 HydrophobicContact CD2-CG1 4.18Å; L407-V431 HydrophobicContact CD2-CG2 4.42Å; L407-V431 HydrophobicContact CG-CG2 4.24Å; S408-V431 VanDerWaalsContact CA-CG2 3.49Å; H412-V431 PolarHBondContact NE2-O 3.35Å; N429-V431 PolarHBondContact O-N 3.05Å
432	R	97.6	Very high	95.5	Very high	98 Å²	98	37.5 Å²	37.5	37%	0.37	19%	0.194	S	C	.	.			trans	-59.8	139.8	-178	-68.1	-166.1	177.3	139	3.7	111.4	D105 L106 G108 S408 I434 T441	D105-R432 WeakPolarHBondContact O-CD 3.28Å; D105-R432 PolarHBondContact O-NH1 3.37Å; D105-R432 IonicContact OD1-CZ 3.83Å; D105-R432 IonicContact OD1-NH1 2.81Å; D105-R432 PolarHBondContact OD1-NH1 3.42Å; L106-R432 PolarHBondContact O-N 2.72Å; G108-R432 VanDerWaalsContact CA-CZ 3.49Å; G108-R432 PolarHBondContact O-NH2 3.37Å; G108-R432 VanDerWaalsContact O-NH2 3.14Å; S408-R432 WeakPolarHBondContact CB-O 3.43Å; S408-R432 PolarHBondContact OG-O 2.72Å; R432-I434 PolarHBondContact O-N 3.07Å; R432-T441 HydrophobicContact CB-CG2 3.57Å; R432-T441 HydrophobicContact CG-CG2 4.4Å
433	R	96.5	Very high	95.8	Very high	61 Å²	61	36.6 Å²	36.6	23%	0.23	19%	0.19	C	C	.	.			trans	-63.1	131.2	173.4	-173.3	178.7	-100.7	-161.9	-14.9	110.5	S408 H412 E417 T441 L442	S408-R433 WeakPolarHBondContact OG-CA 3.34Å; H412-R433 HydrophobicContact CB-CB 4.34Å; H412-R433 HydrophobicContact CB-CG 3.85Å; H412-R433 PolarHBondContact O-NH2 3.21Å; E417-R433 PolarHBondContact O-NH1 3.4Å; R433-T441 WeakPolarHBondContact O-CA 3.34Å; R433-L442 HydrophobicContact CB-CD1 4.29Å; R433-L442 HydrophobicContact CG-CD1 3.63Å; R433-L442 HydrophobicContact CG-CG 4.2Å; R433-L442 PolarHBondContact O-N 3.01Å; R433-L442 VanDerWaalsContact O-N 3.12Å
434	I	97.5	Very high	96	Very high	6 Å²	6	36.8 Å²	36.8	3%	0.031	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	157.2	177.5	62.9	170	0	0	0	112.9	L106 F295 S408 I409 R432 N439 I440 T441	L106-I434 HydrophobicContact CD2-CG2 3.5Å; L106-I434 VanDerWaalsContact CD2-CG2 3.5Å; L106-I434 HydrophobicContact CG-CG2 4.33Å; F295-I434 HydrophobicContact CD2-CD1 4.12Å; F295-I434 HydrophobicContact CE2-CD1 3.9Å; S408-I434 PolarHBondContact OG-N 3.46Å; I409-I434 HydrophobicContact CD1-CD1 3.88Å; I409-I434 HydrophobicContact CD1-CG1 3.76Å; I409-I434 HydrophobicContact CG1-CD1 4.06Å; I409-I434 HydrophobicContact CG1-CG1 4.37Å; R432-I434 PolarHBondContact O-N 3.07Å; I434-N439 WeakPolarHBondContact CD1-OD1 3.45Å; I434-I440 CarbonylContact C-O 3.54Å; I434-I440 VanDerWaalsContact CA-O 3.28Å; I434-I440 WeakPolarHBondContact CA-O 3.5Å; I434-I440 WeakPolarHBondContact CB-O 3.48Å; I434-T441 HydrophobicContact CG2-CG2 4.3Å
435	H	96.7	Very high	96.4	Very high	39 Å²	39	37 Å²	37	18%	0.181	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	119.9	163.1	-166	-62.8	0	0	0	109	I437 Y438 N439 I440 L442 E445	H435-I437 VanDerWaalsContact C-N 3.3Å; H435-I437 PolarHBondContact ND1-N 3.46Å; H435-I437 PolarHBondContact O-N 2.87Å; H435-Y438 HydrophobicContact CB-CD2 4.41Å; H435-Y438 AromaticContact CD2-CD2 3.97Å; H435-Y438 AromaticContact CE1-CD2 3.72Å; H435-Y438 AromaticContact CE1-CE2 3.95Å; H435-Y438 AromaticContact CG-CD2 3.73Å; H435-Y438 AromaticContact ND1-CD2 3.55Å; H435-Y438 AromaticContact NE2-CD2 3.96Å; H435-Y438 PolarHBondContact O-N 3.27Å; H435-N439 WeakPolarHBondContact O-CA 3.41Å; H435-N439 PolarHBondContact O-N 3.33Å; H435-I440 PolarHBondContact N-O 3.38Å; H435-L442 HydrophobicContact CB-CD2 3.86Å; H435-E445 HydrophobicContact CB-CB 4.27Å; H435-E445 HydrophobicContact CB-CG 4.29Å; H435-E445 IonicContact CD2-OE2 3.94Å
436	P	95.9	Very high	96.8	Very high	8 Å²	8	42.5 Å²	42.5	5%	0.052	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-31.4	-170.6	25.6	-34.8	0	0	0	113.1	F246 A299 Q302 I303 I409	F246-P436 VanDerWaalsContact CE2-O 3.29Å; F246-P436 WeakPolarHBondContact CE2-O 3.28Å; F246-P436 WeakPolarHBondContact CZ-O 3.1Å; A299-P436 HydrophobicContact CB-CB 4.4Å; Q302-P436 HydrophobicContact CG-CB 4.17Å; Q302-P436 HydrophobicContact CG-CG 4.2Å; I303-P436 HydrophobicContact CD1-CB 4.32Å; I303-P436 HydrophobicContact CG1-CB 3.9Å; I303-P436 HydrophobicContact CG1-CG 4.04Å; I409-P436 HydrophobicContact CD1-CB 3.95Å
437	I	98	Very high	97.2	Very high	14 Å²	14	43.5 Å²	43.5	7%	0.072	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-43.9	178.4	-62.4	177.9	0	0	0	113.4	Y198 A250 T253 L254 I303 H435	Y198-I437 HydrophobicContact CE2-CG2 4.45Å; Y198-I437 WeakPolarHBondContact CE2-O 3.48Å; Y198-I437 PolarHBondContact OH-O 3.21Å; A250-I437 HydrophobicContact CB-CG2 4.19Å; T253-I437 HydrophobicContact CG2-CD1 3.56Å; L254-I437 HydrophobicContact CD1-CG2 3.65Å; L254-I437 HydrophobicContact CD2-CG2 3.68Å; L254-I437 HydrophobicContact CG-CG2 3.53Å; I303-I437 HydrophobicContact CD1-CG1 3.7Å; I303-I437 HydrophobicContact CG1-CG1 3.93Å; H435-I437 VanDerWaalsContact C-N 3.3Å; H435-I437 PolarHBondContact ND1-N 3.46Å; H435-I437 PolarHBondContact O-N 2.87Å
438	Y	98.6	Very high	97.5	Very high	12 Å²	12	35.2 Å²	35.2	5%	0.047	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-11.2	-173.8	-63.4	-70.6	0	0	0	114.1	Y147 M151 A202 Q205 I206 L254 H435 I440 E445	Y147-Y438 PolarHBondContact OH-O 2.73Å; M151-Y438 HydrophobicContact CE-CD1 3.91Å; M151-Y438 HydrophobicContact SD-CD1 4.4Å; A202-Y438 HydrophobicContact CB-CD1 4.13Å; A202-Y438 HydrophobicContact CB-CE1 4.18Å; Q205-Y438 VanDerWaalsContact CB-OH 3.32Å; Q205-Y438 WeakPolarHBondContact CB-OH 3.23Å; I206-Y438 HydrophobicContact CB-CD1 4.36Å; I206-Y438 HydrophobicContact CB-CE1 3.85Å; I206-Y438 HydrophobicContact CD1-CD1 4.21Å; I206-Y438 HydrophobicContact CD1-CE1 4.46Å; I206-Y438 HydrophobicContact CD1-CG 4.36Å; I206-Y438 HydrophobicContact CG1-CE1 4.48Å; L254-Y438 HydrophobicContact CD1-CE1 4.48Å; L254-Y438 HydrophobicContact CD2-CE1 4.11Å; L254-Y438 HydrophobicContact CD2-CE2 4.36Å; L254-Y438 VanDerWaalsContact CD2-OH 3.3Å; L254-Y438 WeakPolarHBondContact CD2-OH 3.45Å; H435-Y438 HydrophobicContact CB-CD2 4.41Å; H435-Y438 AromaticContact CD2-CD2 3.97Å; H435-Y438 AromaticContact CE1-CD2 3.72Å; H435-Y438 AromaticContact CE1-CE2 3.95Å; H435-Y438 AromaticContact CG-CD2 3.73Å; H435-Y438 AromaticContact ND1-CD2 3.55Å; H435-Y438 AromaticContact NE2-CD2 3.96Å; H435-Y438 PolarHBondContact O-N 3.27Å; Y438-I440 PolarHBondContact O-N 3.07Å; Y438-E445 HydrophobicContact CD2-CG 3.7Å; Y438-E445 HydrophobicContact CE2-CG 4.03Å
439	N	98.7	Very high	97.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.2	53.4	-173.7	-164.6	18.4	0	0	0	114.1	Y98 H102 F295 Y402 S405 I434 H435	Y98-N439 WeakPolarHBondContact OH-CB 3.41Å; Y98-N439 PolarHBondContact OH-ND2 3.13Å; Y98-N439 PolarHBondContact OH-O 2.82Å; H102-N439 PolarHBondContact CD2-O 2.81Å; H102-N439 VanDerWaalsContact CD2-O 3.31Å; H102-N439 PolarHBondContact CE1-O 3.33Å; H102-N439 VanDerWaalsContact CE1-O 3.31Å; H102-N439 PolarHBondContact NE2-O 3.36Å; H102-N439 PolarHBondContact NE2-OD1 2.95Å; F295-N439 HydrophobicContact CE1-CB 4.3Å; F295-N439 HydrophobicContact CE2-CB 3.82Å; F295-N439 HydrophobicContact CZ-CB 3.54Å; Y402-N439 WeakPolarHBondContact CE1-ND2 3.32Å; S405-N439 WeakPolarHBondContact CB-OD1 3.47Å; S405-N439 PolarHBondContact OG-ND2 3.37Å; S405-N439 VanDerWaalsContact OG-ND2 3.1Å; S405-N439 PolarHBondContact OG-OD1 2.87Å; I434-N439 WeakPolarHBondContact CD1-OD1 3.45Å; H435-N439 WeakPolarHBondContact O-CA 3.41Å; H435-N439 PolarHBondContact O-N 3.33Å
440	I	98.7	Very high	97.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	160.8	168.2	58.1	174.7	0	0	0	107.7	Y98 M151 C154 V155 I206 I434 H435 Y438 K444 E445	Y98-I440 HydrophobicContact CE2-CG2 4.17Å; M151-I440 HydrophobicContact CB-CG2 3.95Å; M151-I440 HydrophobicContact CG-CG2 4.38Å; M151-I440 HydrophobicContact SD-CD1 4.19Å; M151-I440 HydrophobicContact SD-CG2 4.07Å; C154-I440 HydrophobicContact CB-CD1 3.85Å; V155-I440 HydrophobicContact CG2-CB 4.09Å; V155-I440 HydrophobicContact CG2-CG2 3.59Å; I206-I440 HydrophobicContact CD1-CD1 3.82Å; I434-I440 CarbonylContact C-O 3.54Å; I434-I440 VanDerWaalsContact CA-O 3.28Å; I434-I440 WeakPolarHBondContact CA-O 3.5Å; I434-I440 WeakPolarHBondContact CB-O 3.48Å; H435-I440 PolarHBondContact N-O 3.38Å; Y438-I440 PolarHBondContact O-N 3.07Å; I440-K444 HydrophobicContact CD1-CB 4.46Å; I440-E445 HydrophobicContact CD1-CB 3.87Å; I440-E445 HydrophobicContact CG1-CB 4.01Å
441	T	98.3	Very high	97.8	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	146.9	179.1	57	0	0	0	0	111.7	D105 R432 R433 I434 S443 K444 E445	D105-T441 WeakPolarHBondContact OD2-CB 3.36Å; D105-T441 WeakPolarHBondContact OD2-CG2 3.5Å; D105-T441 PolarHBondContact OD2-OG1 3.12Å; R432-T441 HydrophobicContact CB-CG2 3.57Å; R432-T441 HydrophobicContact CG-CG2 4.4Å; R433-T441 WeakPolarHBondContact O-CA 3.34Å; I434-T441 HydrophobicContact CG2-CG2 4.3Å; T441-S443 PolarHBondContact O-N 2.6Å; T441-K444 PolarHBondContact O-N 3.14Å; T441-K444 WeakPolarHBondContact OG1-CG 3.3Å; T441-E445 PolarHBondContact O-N 3.01Å
442	L	96.1	Very high	97.8	Very high	29 Å²	29	34.8 Å²	34.8	15%	0.152	17%	0.17	C	C	.	.	H	α-helix	trans	-57.5	-35.1	-176.1	-75.8	179.4	0	0	0	113	R433 H435 R446	R433-L442 HydrophobicContact CB-CD1 4.29Å; R433-L442 HydrophobicContact CG-CD1 3.63Å; R433-L442 HydrophobicContact CG-CG 4.2Å; R433-L442 PolarHBondContact O-N 3.01Å; R433-L442 VanDerWaalsContact O-N 3.12Å; H435-L442 HydrophobicContact CB-CD2 3.86Å; L442-R446 WeakPolarHBondContact O-CB 3.29Å; L442-R446 WeakPolarHBondContact O-CD 3.06Å; L442-R446 WeakPolarHBondContact O-CG 3.37Å; L442-R446 PolarHBondContact O-N 2.74Å; L442-R446 VanDerWaalsContact O-N 3.08Å
443	S	96.7	Very high	97.8	Very high	58 Å²	58	32.5 Å²	32.5	41%	0.406	17%	0.169	S	C	.	.	H	α-helix	trans	-62.6	-45.2	175.1	48.1	0	0	0	0	111.6	T441 R446 D447	T441-S443 PolarHBondContact O-N 2.6Å; S443-R446 PolarHBondContact O-N 2.74Å; S443-D447 WeakPolarHBondContact O-CB 3.24Å; S443-D447 PolarHBondContact O-N 3.08Å
444	K	98.4	Very high	97.7	Very high	41 Å²	41	37.6 Å²	37.6	18%	0.178	19%	0.188	C	C	.	.	H	α-helix	trans	-67.9	-37.5	-179	-62.8	-63.3	-177.4	168.3	0	112.8	V155 I156 I440 T441 A448	V155-K444 VanDerWaalsContact O-CD 3.28Å; V155-K444 WeakPolarHBondContact O-CD 3.28Å; V155-K444 WeakPolarHBondContact O-CE 3.47Å; V155-K444 PolarHBondContact O-NZ 2.81Å; I156-K444 PolarHBondContact O-NZ 2.79Å; I440-K444 HydrophobicContact CD1-CB 4.46Å; T441-K444 PolarHBondContact O-N 3.14Å; T441-K444 WeakPolarHBondContact OG1-CG 3.3Å; K444-A448 WeakPolarHBondContact O-CB 3.37Å; K444-A448 PolarHBondContact O-N 3.1Å
445	E	98.2	Very high	97.5	Very high	23 Å²	23	41.3 Å²	41.3	11%	0.107	20%	0.204	C	C	.	.	H	α-helix	trans	-61	-50	171.3	-175.4	-76.3	134.4	0	0	111.1	H435 Y438 I440 T441 D447 A448 T449	H435-E445 HydrophobicContact CB-CB 4.27Å; H435-E445 HydrophobicContact CB-CG 4.29Å; H435-E445 IonicContact CD2-OE2 3.94Å; Y438-E445 HydrophobicContact CD2-CG 3.7Å; Y438-E445 HydrophobicContact CE2-CG 4.03Å; I440-E445 HydrophobicContact CD1-CB 3.87Å; I440-E445 HydrophobicContact CG1-CB 4.01Å; T441-E445 PolarHBondContact O-N 3.01Å; E445-D447 PolarHBondContact O-N 3.2Å; E445-A448 PolarHBondContact O-N 3.25Å; E445-T449 WeakPolarHBondContact O-CB 3.06Å; E445-T449 PolarHBondContact O-N 2.76Å; E445-T449 PolarHBondContact O-OG1 3.27Å; E445-T449 WeakPolarHBondContact OE1-CB 3.45Å; E445-T449 PolarHBondContact OE1-OG1 3.03Å
446	R	98.3	Very high	96.8	Very high	150 Å²	150	43.1 Å²	43.1	57%	0.566	22%	0.215	S	C	*	.	H	α-helix	trans	-60.5	-43.8	179.9	-72.3	169.7	-178.2	179.4	0.1	112.3	L442 S443 T449 A450	L442-R446 WeakPolarHBondContact O-CB 3.29Å; L442-R446 WeakPolarHBondContact O-CD 3.06Å; L442-R446 WeakPolarHBondContact O-CG 3.37Å; L442-R446 PolarHBondContact O-N 2.74Å; L442-R446 VanDerWaalsContact O-N 3.08Å; S443-R446 PolarHBondContact O-N 2.74Å; R446-T449 PolarHBondContact O-N 3.49Å; R446-A450 VanDerWaalsContact O-CB 3.26Å; R446-A450 WeakPolarHBondContact O-CB 3.1Å; R446-A450 PolarHBondContact O-N 3.21Å
447	D	98.5	Very high	95.2	Very high	83 Å²	83	47.4 Å²	47.4	44%	0.444	25%	0.245	S	C	.	.	H	α-helix	trans	-62.7	-43.9	178.4	-70	-19.8	0	0	0	111.4	Y162 S443 E445 A450 Y451	Y162-D447 WeakPolarHBondContact OH-CB 3.41Å; S443-D447 WeakPolarHBondContact O-CB 3.24Å; S443-D447 PolarHBondContact O-N 3.08Å; E445-D447 PolarHBondContact O-N 3.2Å; D447-A450 PolarHBondContact O-N 3.31Å; D447-Y451 WeakPolarHBondContact O-CB 3.07Å; D447-Y451 PolarHBondContact O-N 3.03Å
448	A	98.7	Very high	93	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65	-48.1	176.8	0	0	0	0	0	111.2	C154 Y162 I206 K444 E445 A450 Y451 F452	C154-A448 HydrophobicContact CB-CB 4.19Å; C154-A448 VanDerWaalsContact SG-CB 3.6Å; Y162-A448 HydrophobicContact CE1-CB 3.88Å; Y162-A448 PolarHBondContact OH-N 3.2Å; I206-A448 HydrophobicContact CD1-CB 4.35Å; I206-A448 HydrophobicContact CG1-CB 4.26Å; K444-A448 WeakPolarHBondContact O-CB 3.37Å; K444-A448 PolarHBondContact O-N 3.1Å; E445-A448 PolarHBondContact O-N 3.25Å; A448-A450 VanDerWaalsContact C-N 3.33Å; A448-A450 PolarHBondContact O-N 3.41Å; A448-Y451 WeakPolarHBondContact O-CB 3.47Å; A448-Y451 PolarHBondContact O-N 2.91Å; A448-Y451 VanDerWaalsContact O-N 3.13Å; A448-F452 HydrophobicContact CB-CD2 4.41Å; A448-F452 HydrophobicContact CB-CE2 4.3Å; A448-F452 WeakPolarHBondContact O-CD2 3.43Å; A448-F452 PolarHBondContact O-N 3.3Å
449	T	97.9	Very high	90.6	Very high	31 Å²	31	55.3 Å²	55.3	19%	0.19	30%	0.299	C	S	.	.	H	α-helix	trans	-57.8	-44.8	176.6	-82.2	0	0	0	0	111.3	E445 R446 Y451 S453	E445-T449 WeakPolarHBondContact O-CB 3.06Å; E445-T449 PolarHBondContact O-N 2.76Å; E445-T449 PolarHBondContact O-OG1 3.27Å; E445-T449 WeakPolarHBondContact OE1-CB 3.45Å; E445-T449 PolarHBondContact OE1-OG1 3.03Å; R446-T449 PolarHBondContact O-N 3.49Å; T449-Y451 VanDerWaalsContact C-N 3.32Å; T449-Y451 PolarHBondContact O-N 3.02Å; T449-S453 WeakPolarHBondContact O-CB 3.4Å; T449-S453 PolarHBondContact O-N 2.69Å; T449-S453 PolarHBondContact O-OG 2.97Å
450	A	98	Very high	87.7	Confident	53 Å²	53	64.6 Å²	64.6	44%	0.438	34%	0.342	S	S	.	.	H	α-helix	trans	-65.9	-33.6	177.4	0	0	0	0	0	112.8	R446 D447 A448 R454	R446-A450 VanDerWaalsContact O-CB 3.26Å; R446-A450 WeakPolarHBondContact O-CB 3.1Å; R446-A450 PolarHBondContact O-N 3.21Å; D447-A450 PolarHBondContact O-N 3.31Å; A448-A450 VanDerWaalsContact C-N 3.33Å; A448-A450 PolarHBondContact O-N 3.41Å; A450-R454 PolarHBondContact O-NE 2.85Å
451	Y	98.5	Very high	84.6	Confident	21 Å²	21	72.5 Å²	72.5	8%	0.082	40%	0.398	C	S	.	.	H	α-helix	trans	-67.2	-55.4	175.1	-173.3	-99.4	0	0	0	111.6	K159 Y162 D163 D447 A448 T449 S453 R454 F455	K159-Y451 HydrophobicContact CB-CE2 4.48Å; K159-Y451 HydrophobicContact CG-CE2 3.97Å; Y162-Y451 AromaticContact CD2-CD1 3.67Å; Y162-Y451 HydrophobicContact CD2-CD1 3.67Å; Y162-Y451 AromaticContact CD2-CD2 3.66Å; Y162-Y451 HydrophobicContact CD2-CD2 3.66Å; Y162-Y451 HydrophobicContact CD2-CE1 4.2Å; Y162-Y451 HydrophobicContact CD2-CE2 4.2Å; Y162-Y451 AromaticContact CD2-CG 3.37Å; Y162-Y451 HydrophobicContact CD2-CG 3.37Å; Y162-Y451 HydrophobicContact CE2-CD2 4.31Å; Y162-Y451 HydrophobicContact CE2-CG 4.03Å; Y162-Y451 AromaticContact CG-CD1 3.73Å; Y162-Y451 HydrophobicContact CG-CD1 3.73Å; Y162-Y451 HydrophobicContact CG-CE1 4.15Å; Y162-Y451 AromaticContact CG-CG 3.93Å; Y162-Y451 HydrophobicContact CG-CG 3.93Å; D163-Y451 PolarHBondContact OD1-OH 3.39Å; D447-Y451 WeakPolarHBondContact O-CB 3.07Å; D447-Y451 PolarHBondContact O-N 3.03Å; A448-Y451 WeakPolarHBondContact O-CB 3.47Å; A448-Y451 PolarHBondContact O-N 2.91Å; A448-Y451 VanDerWaalsContact O-N 3.13Å; T449-Y451 VanDerWaalsContact C-N 3.32Å; T449-Y451 PolarHBondContact O-N 3.02Å; Y451-S453 VanDerWaalsContact C-N 3.32Å; Y451-S453 PolarHBondContact O-N 3.48Å; Y451-R454 WeakPolarHBondContact O-CB 3.42Å; Y451-R454 WeakPolarHBondContact O-CG 3.42Å; Y451-R454 PolarHBondContact O-N 3.19Å; Y451-F455 HydrophobicContact CD1-CE2 4.15Å; Y451-F455 AromaticContact CE1-CE2 3.76Å; Y451-F455 HydrophobicContact CE1-CE2 3.76Å; Y451-F455 HydrophobicContact CE1-CZ 4.11Å
452	F	98.2	Very high	83.9	Confident	2 Å²	2	76.1 Å²	76.1	1%	0.009	42%	0.417	C	S	.	.	H	α-helix	trans	-71.6	-24.9	-173.4	-67.7	-62.1	0	0	0	113.6	Y162 I165 I206 T207 K208 A448 R454 F455	Y162-F452 HydrophobicContact CD1-CE2 4.17Å; Y162-F452 HydrophobicContact CD1-CZ 4.18Å; Y162-F452 HydrophobicContact CG-CZ 4.34Å; I165-F452 HydrophobicContact CD1-CE2 4.48Å; I165-F452 HydrophobicContact CD1-CZ 3.76Å; I206-F452 WeakPolarHBondContact O-CD2 3.43Å; T207-F452 HydrophobicContact CG2-CE2 4.37Å; T207-F452 HydrophobicContact CG2-CZ 4.41Å; K208-F452 HydrophobicContact CB-CB 4.26Å; K208-F452 HydrophobicContact CG-CB 3.74Å; A448-F452 HydrophobicContact CB-CD2 4.41Å; A448-F452 HydrophobicContact CB-CE2 4.3Å; A448-F452 WeakPolarHBondContact O-CD2 3.43Å; A448-F452 PolarHBondContact O-N 3.3Å; F452-R454 PolarHBondContact O-N 3.43Å; F452-F455 HydrophobicContact CD1-CE2 4.4Å; F452-F455 WeakPolarHBondContact O-CD2 3.1Å; F452-F455 PolarHBondContact O-N 3.38Å
453	S	96.7	Very high	83.2	Confident	51 Å²	51	78.6 Å²	78.6	36%	0.357	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-63.3	-22.3	177.4	-60	0	0	0	0	113.3	K208 T449 Y451 F455 N456	K208-S453 WeakPolarHBondContact CE-OG 3.11Å; T449-S453 WeakPolarHBondContact O-CB 3.4Å; T449-S453 PolarHBondContact O-N 2.69Å; T449-S453 PolarHBondContact O-OG 2.97Å; Y451-S453 VanDerWaalsContact C-N 3.32Å; Y451-S453 PolarHBondContact O-N 3.48Å; S453-F455 PolarHBondContact O-N 2.77Å; S453-N456 PolarHBondContact O-N 3.03Å
454	R	96.1	Very high	82.5	Confident	168 Å²	168	79.7 Å²	79.7	63%	0.634	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-65.2	-18.1	179.1	-60.3	172.4	-172.6	-170.7	-2.1	113.8	A450 Y451 F452 S457	A450-R454 PolarHBondContact O-NE 2.85Å; Y451-R454 WeakPolarHBondContact O-CB 3.42Å; Y451-R454 WeakPolarHBondContact O-CG 3.42Å; Y451-R454 PolarHBondContact O-N 3.19Å; F452-R454 PolarHBondContact O-N 3.43Å; R454-S457 PolarHBondContact O-OG 3.03Å; R454-S457 VanDerWaalsContact O-OG 3.11Å
455	F	92.7	Very high	81.6	Confident	83 Å²	83	82 Å²	82	36%	0.364	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-95.2	-7.1	-178.5	-58.1	-76.7	0	0	0	113.6	Y451 F452 S453 S458	Y451-F455 HydrophobicContact CD1-CE2 4.15Å; Y451-F455 AromaticContact CE1-CE2 3.76Å; Y451-F455 HydrophobicContact CE1-CE2 3.76Å; Y451-F455 HydrophobicContact CE1-CZ 4.11Å; F452-F455 HydrophobicContact CD1-CE2 4.4Å; F452-F455 WeakPolarHBondContact O-CD2 3.1Å; F452-F455 PolarHBondContact O-N 3.38Å; S453-F455 PolarHBondContact O-N 2.77Å; F455-S458 PolarHBondContact O-OG 2.87Å; F455-S458 VanDerWaalsContact O-OG 3.06Å
456	N	82.3	Confident	80.5	Confident	78 Å²	78	85.7 Å²	85.7	42%	0.417	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-21.7	177.6	-74.2	15.1	0	0	0	112.2	R167 K208 S453 S458 T459	R167-N456 PolarHBondContact NH2-OD1 3.06Å; K208-N456 PolarHBondContact O-OD1 3.34Å; S453-N456 PolarHBondContact O-N 3.03Å; N456-S458 PolarHBondContact O-N 3.18Å; N456-T459 PolarHBondContact O-OG1 3.41Å
457	S	62	Low	79.3	Confident	97 Å²	97	81.4 Å²	81.4	68%	0.678	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-9.3	178	48.6	0	0	0	0	114.2	R454	R454-S457 PolarHBondContact O-OG 3.03Å; R454-S457 VanDerWaalsContact O-OG 3.11Å
458	S	51.9	Low	78	Confident	79 Å²	79	81.3 Å²	81.3	55%	0.552	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	4.6	-176.1	36.8	0	0	0	0	115	F455 N456	F455-S458 PolarHBondContact O-OG 2.87Å; F455-S458 VanDerWaalsContact O-OG 3.06Å; N456-S458 PolarHBondContact O-N 3.18Å
459	T	47.9	Very low	76.4	Confident	113 Å²	113	87.5 Å²	87.5	69%	0.693	50%	0.499	S	S	*	.	S	Bend	trans	-113.7	10.9	-179.3	42.5	0	0	0	0	115.1	N456	N456-T459 PolarHBondContact O-OG1 3.41Å
460	E	38	Very low	74.6	Confident	196 Å²	196	92.3 Å²	92.3	92%	0.916	53%	0.525	S	S	*	.			trans	-110	17.6	173.1	-73.8	-170.7	168.2	0	0	114.3
461	S	32.8	Very low	72.5	Confident	166 Å²	166	95.8 Å²	95.8	100%	1.161	53%	0.533	S	S	*	.			trans	-109.7	0	163.6	67.9	0	0	0	0	110.2

Retrieved 461 of 461 residues in 320.5 ms (Link to these results)

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