A0A5K4FAY9_SCHMA Loading...

Glycosyltransferase-like protein LARGE1

AlphaFold DB , UniProt , Accession A0A5K4FAY9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 419 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	47	Very low	47.8	Very low	192 Å²	192	125.6 Å²	125.6	95%	0.946	60%	0.596	S	S	*	*				0	-58.2	0	-89.1	-180	76.6	0	0	114	T3 Q4 L5	M1-T3 PolarHBondContact O-N 3.17Å; M1-Q4 PolarHBondContact O-N 3.15Å; M1-Q4 VanDerWaalsContact O-N 3.17Å; M1-L5 PolarHBondContact O-N 2.98Å; M1-L5 VanDerWaalsContact O-N 3.07Å
2	K	35.6	Very low	48.8	Very low	183 Å²	183	120.9 Å²	120.9	80%	0.796	58%	0.577	S	S	*	*	H	α-helix	trans	-56.1	-45.8	-177.5	-103.4	-176.4	175.9	-178.1	0	114.5	Q4 L5 E6	K2-Q4 VanDerWaalsContact C-N 3.32Å; K2-Q4 PolarHBondContact O-N 3.13Å; K2-L5 PolarHBondContact O-N 2.66Å; K2-E6 PolarHBondContact O-N 2.67Å
3	T	48.2	Very low	49.6	Very low	109 Å²	109	119 Å²	119	67%	0.669	58%	0.578	S	S	*	*	H	α-helix	trans	-67.6	-29	178.6	43.8	0	0	0	0	113.8	M1 F7	M1-T3 PolarHBondContact O-N 3.17Å; T3-F7 PolarHBondContact O-N 2.85Å; T3-F7 VanDerWaalsContact O-N 3.17Å
4	Q	44.2	Very low	50.3	Low	108 Å²	108	114.9 Å²	114.9	51%	0.505	57%	0.568	S	S	.	*	H	α-helix	trans	-76.4	-39.5	176.1	-78.3	179.3	-29.7	0	0	111.6	M1 K2 E6 F7 W8	M1-Q4 PolarHBondContact O-N 3.15Å; M1-Q4 VanDerWaalsContact O-N 3.17Å; K2-Q4 VanDerWaalsContact C-N 3.32Å; K2-Q4 PolarHBondContact O-N 3.13Å; Q4-E6 VanDerWaalsContact C-N 3.29Å; Q4-E6 PolarHBondContact O-N 3.19Å; Q4-F7 WeakPolarHBondContact O-CB 3.39Å; Q4-F7 PolarHBondContact O-N 2.87Å; Q4-W8 PolarHBondContact O-N 3.09Å
5	L	46.1	Very low	51.1	Low	112 Å²	112	110.7 Å²	110.7	59%	0.586	54%	0.543	S	S	*	.	H	α-helix	trans	-64.2	-34.9	176.4	-159.7	79.9	0	0	0	112	M1 K2 K9	M1-L5 PolarHBondContact O-N 2.98Å; M1-L5 VanDerWaalsContact O-N 3.07Å; K2-L5 PolarHBondContact O-N 2.66Å; L5-K9 PolarHBondContact O-N 3.06Å; L5-K9 VanDerWaalsContact O-N 3.12Å
6	E	47.4	Very low	51.6	Low	123 Å²	123	110.3 Å²	110.3	58%	0.575	54%	0.544	S	S	*	.	H	α-helix	trans	-68.2	-39.8	172.4	-74.2	176.7	169.9	0	0	112.3	K2 Q4 W8 K9 L10	K2-E6 PolarHBondContact O-N 2.67Å; Q4-E6 VanDerWaalsContact C-N 3.29Å; Q4-E6 PolarHBondContact O-N 3.19Å; E6-W8 VanDerWaalsContact C-N 3.34Å; E6-W8 PolarHBondContact O-N 3.25Å; E6-K9 PolarHBondContact O-N 3.39Å; E6-L10 PolarHBondContact O-N 3.07Å
7	F	48	Very low	52.1	Low	116 Å²	116	108.3 Å²	108.3	51%	0.509	54%	0.543	S	S	.	.	H	α-helix	trans	-60.4	-43.6	173.2	-176.1	-93	0	0	0	111.6	T3 Q4 L10 F11	T3-F7 PolarHBondContact O-N 2.85Å; T3-F7 VanDerWaalsContact O-N 3.17Å; Q4-F7 WeakPolarHBondContact O-CB 3.39Å; Q4-F7 PolarHBondContact O-N 2.87Å; F7-L10 PolarHBondContact O-N 2.77Å; F7-F11 HydrophobicContact CE1-CB 4.49Å; F7-F11 HydrophobicContact CE1-CD2 4.13Å; F7-F11 HydrophobicContact CZ-CD2 4.08Å; F7-F11 WeakPolarHBondContact O-CB 3.36Å; F7-F11 PolarHBondContact O-N 3.44Å
8	W	51.7	Low	52.3	Low	77 Å²	77	107.2 Å²	107.2	29%	0.292	54%	0.539	S	S	.	.	H	α-helix	trans	-61.3	-45.5	176.6	-76.7	116.2	0	0	0	112.8	Q4 E6 L10 F11 D12 Y47 Y51	Q4-W8 PolarHBondContact O-N 3.09Å; E6-W8 VanDerWaalsContact C-N 3.34Å; E6-W8 PolarHBondContact O-N 3.25Å; W8-L10 VanDerWaalsContact C-N 3.33Å; W8-L10 PolarHBondContact O-N 3.18Å; W8-F11 PolarHBondContact O-N 3.23Å; W8-D12 PolarHBondContact O-N 2.79Å; W8-Y47 HydrophobicContact CH2-CD1 4.06Å; W8-Y47 AromaticContact CH2-CE1 3.38Å; W8-Y47 HydrophobicContact CH2-CE1 3.38Å; W8-Y47 AromaticContact CZ2-CE1 3.79Å; W8-Y47 HydrophobicContact CZ2-CE1 3.79Å; W8-Y47 HydrophobicContact CZ3-CE1 4.31Å; W8-Y51 HydrophobicContact CZ2-CD2 4.23Å; W8-Y51 HydrophobicContact CZ2-CE2 4.17Å
9	K	52.4	Low	52.7	Low	140 Å²	140	105.5 Å²	105.5	61%	0.609	53%	0.531	S	S	*	.	H	α-helix	trans	-58.8	-44.3	174.6	-75.6	-177.4	177.8	-175.8	0	111.8	L5 E6 T13	L5-K9 PolarHBondContact O-N 3.06Å; L5-K9 VanDerWaalsContact O-N 3.12Å; E6-K9 PolarHBondContact O-N 3.39Å; K9-T13 WeakPolarHBondContact O-CB 3.37Å; K9-T13 PolarHBondContact O-N 3.3Å; K9-T13 VanDerWaalsContact O-N 3.09Å; K9-T13 PolarHBondContact O-OG1 3.12Å
10	L	51.7	Low	53	Low	119 Å²	119	107.4 Å²	107.4	62%	0.623	54%	0.535	S	S	*	.	H	α-helix	trans	-64.6	-39.7	177.1	-78.5	161.5	0	0	0	112.1	E6 F7 W8 S14	E6-L10 PolarHBondContact O-N 3.07Å; F7-L10 PolarHBondContact O-N 2.77Å; W8-L10 VanDerWaalsContact C-N 3.33Å; W8-L10 PolarHBondContact O-N 3.18Å; L10-S14 WeakPolarHBondContact O-CB 3.22Å; L10-S14 PolarHBondContact O-N 2.84Å; L10-S14 PolarHBondContact O-OG 3.06Å
11	F	54	Low	53.2	Low	103 Å²	103	106.3 Å²	106.3	45%	0.452	53%	0.534	S	S	.	.	H	α-helix	trans	-71	-44	-178.2	-156.1	-90.6	0	0	0	112.2	F7 W8 S14 Y15	F7-F11 HydrophobicContact CE1-CB 4.49Å; F7-F11 HydrophobicContact CE1-CD2 4.13Å; F7-F11 HydrophobicContact CZ-CD2 4.08Å; F7-F11 WeakPolarHBondContact O-CB 3.36Å; F7-F11 PolarHBondContact O-N 3.44Å; W8-F11 PolarHBondContact O-N 3.23Å; F11-S14 WeakPolarHBondContact O-CB 2.99Å; F11-S14 PolarHBondContact O-N 3.03Å; F11-Y15 WeakPolarHBondContact O-CB 3.5Å; F11-Y15 PolarHBondContact O-N 3.18Å
12	D	59.8	Low	53.6	Low	69 Å²	69	99.3 Å²	99.3	37%	0.369	51%	0.507	S	S	.	.	H	α-helix	trans	-63.1	-42.7	174.4	-80.9	-17.9	0	0	0	111.4	W8 S14 Y15 D16	W8-D12 PolarHBondContact O-N 2.79Å; D12-S14 PolarHBondContact O-N 3.22Å; D12-Y15 PolarHBondContact O-N 2.96Å; D12-Y15 VanDerWaalsContact O-N 3.17Å; D12-D16 WeakPolarHBondContact O-CB 3.37Å; D12-D16 PolarHBondContact O-N 3.24Å
13	T	59	Low	54.6	Low	96 Å²	96	95.9 Å²	95.9	59%	0.589	50%	0.496	S	S	*	.	H	α-helix	trans	-61.3	-36.9	175.7	-44.8	0	0	0	0	111.3	K9 C17	K9-T13 WeakPolarHBondContact O-CB 3.37Å; K9-T13 PolarHBondContact O-N 3.3Å; K9-T13 VanDerWaalsContact O-N 3.09Å; K9-T13 PolarHBondContact O-OG1 3.12Å; T13-C17 VanDerWaalsContact O-CB 3.23Å; T13-C17 WeakPolarHBondContact O-CB 3.11Å; T13-C17 PolarHBondContact O-N 3.49Å; T13-C17 VanDerWaalsContact O-N 3.07Å
14	S	59.2	Low	55	Low	62 Å²	62	97 Å²	97	43%	0.434	50%	0.498	S	S	.	.	H	α-helix	trans	-71.3	-38.6	176.7	-57.1	0	0	0	0	111.8	L10 F11 D12 C17 L18	L10-S14 WeakPolarHBondContact O-CB 3.22Å; L10-S14 PolarHBondContact O-N 2.84Å; L10-S14 PolarHBondContact O-OG 3.06Å; F11-S14 WeakPolarHBondContact O-CB 2.99Å; F11-S14 PolarHBondContact O-N 3.03Å; D12-S14 PolarHBondContact O-N 3.22Å; S14-C17 PolarHBondContact O-N 3.07Å; S14-L18 WeakPolarHBondContact O-CB 3.17Å; S14-L18 WeakPolarHBondContact O-CD1 3.3Å; S14-L18 VanDerWaalsContact O-CG 3.31Å; S14-L18 WeakPolarHBondContact O-CG 3.31Å; S14-L18 PolarHBondContact O-N 2.79Å
15	Y	62.4	Low	55.2	Low	51 Å²	51	96.6 Å²	96.6	20%	0.2	50%	0.499	C	S	.	.	H	α-helix	trans	-66.3	-47.1	177.5	-172.9	-98.4	0	0	0	111.4	F11 D12 C17 L18 L19	F11-Y15 WeakPolarHBondContact O-CB 3.5Å; F11-Y15 PolarHBondContact O-N 3.18Å; D12-Y15 PolarHBondContact O-N 2.96Å; D12-Y15 VanDerWaalsContact O-N 3.17Å; Y15-C17 VanDerWaalsContact C-N 3.29Å; Y15-C17 PolarHBondContact O-N 3.19Å; Y15-L18 PolarHBondContact O-N 2.69Å; Y15-L19 HydrophobicContact CD1-CD1 4.21Å; Y15-L19 HydrophobicContact CE1-CD1 3.55Å; Y15-L19 HydrophobicContact CE2-CD1 4.15Å; Y15-L19 PolarHBondContact O-N 2.61Å
16	D	59.7	Low	55.6	Low	104 Å²	104	98.5 Å²	98.5	56%	0.556	51%	0.51	S	S	*	.	H	α-helix	trans	-61.9	-37.9	174.9	-83.6	-11.9	0	0	0	112	D12 K20	D12-D16 WeakPolarHBondContact O-CB 3.37Å; D12-D16 PolarHBondContact O-N 3.24Å; D16-K20 WeakPolarHBondContact O-CB 3.4Å; D16-K20 WeakPolarHBondContact O-CG 3.43Å; D16-K20 PolarHBondContact O-N 3.4Å
17	C	59.8	Low	55.7	Low	77 Å²	77	100 Å²	100	52%	0.52	52%	0.522	S	S	.	.	H	α-helix	trans	-66.3	-44.3	175.9	-167.1	0	0	0	0	111.4	T13 S14 Y15 K20 V21	T13-C17 VanDerWaalsContact O-CB 3.23Å; T13-C17 WeakPolarHBondContact O-CB 3.11Å; T13-C17 PolarHBondContact O-N 3.49Å; T13-C17 VanDerWaalsContact O-N 3.07Å; S14-C17 PolarHBondContact O-N 3.07Å; Y15-C17 VanDerWaalsContact C-N 3.29Å; Y15-C17 PolarHBondContact O-N 3.19Å; C17-K20 PolarHBondContact O-N 3.18Å; C17-V21 VanDerWaalsContact O-CG2 3.3Å; C17-V21 WeakPolarHBondContact O-CG2 3.41Å; C17-V21 PolarHBondContact O-N 3.23Å
18	L	56	Low	55.6	Low	89 Å²	89	103.7 Å²	103.7	47%	0.466	53%	0.533	S	S	.	.	H	α-helix	trans	-66.7	-38.2	177.5	-77.8	163.9	0	0	0	112.5	S14 Y15 V21 A22 L40	S14-L18 WeakPolarHBondContact O-CB 3.17Å; S14-L18 WeakPolarHBondContact O-CD1 3.3Å; S14-L18 VanDerWaalsContact O-CG 3.31Å; S14-L18 WeakPolarHBondContact O-CG 3.31Å; S14-L18 PolarHBondContact O-N 2.79Å; Y15-L18 PolarHBondContact O-N 2.69Å; L18-V21 PolarHBondContact O-N 3.37Å; L18-A22 WeakPolarHBondContact O-CB 3.35Å; L18-A22 PolarHBondContact O-N 3.48Å; L18-L40 HydrophobicContact CD1-CD1 4.39Å; L18-L40 HydrophobicContact CD1-CD2 4.43Å
19	L	59	Low	55.7	Low	74 Å²	74	108.7 Å²	108.7	39%	0.387	56%	0.557	S	S	.	*	H	α-helix	trans	-67.2	-40.5	175.6	-126.5	98.2	0	0	0	111.4	Y15 A22 I23	Y15-L19 HydrophobicContact CD1-CD1 4.21Å; Y15-L19 HydrophobicContact CE1-CD1 3.55Å; Y15-L19 HydrophobicContact CE2-CD1 4.15Å; Y15-L19 PolarHBondContact O-N 2.61Å; L19-A22 PolarHBondContact O-N 3.37Å; L19-I23 HydrophobicContact CD2-CD1 4.01Å; L19-I23 HydrophobicContact CG-CD1 4.44Å; L19-I23 WeakPolarHBondContact O-CB 3.16Å; L19-I23 WeakPolarHBondContact O-CD1 3.32Å; L19-I23 VanDerWaalsContact O-CG1 3.23Å; L19-I23 WeakPolarHBondContact O-CG1 3.43Å; L19-I23 PolarHBondContact O-N 2.94Å
20	K	58.4	Low	56.2	Low	143 Å²	143	104.7 Å²	104.7	62%	0.622	54%	0.544	S	S	*	.	H	α-helix	trans	-63.7	-44.4	174.7	-80.9	-178.1	176.8	-179.2	0	112.2	D16 C17 A22 I23 D24	D16-K20 WeakPolarHBondContact O-CB 3.4Å; D16-K20 WeakPolarHBondContact O-CG 3.43Å; D16-K20 PolarHBondContact O-N 3.4Å; C17-K20 PolarHBondContact O-N 3.18Å; K20-A22 PolarHBondContact O-N 3.42Å; K20-I23 PolarHBondContact O-N 3.15Å; K20-I23 VanDerWaalsContact O-N 3.15Å; K20-D24 WeakPolarHBondContact O-CB 3.35Å; K20-D24 PolarHBondContact O-N 3.14Å
21	V	58.3	Low	56.6	Low	86 Å²	86	105.6 Å²	105.6	52%	0.521	55%	0.549	S	S	.	.	H	α-helix	trans	-61.2	-35.7	174.8	172.1	0	0	0	0	111.2	C17 L18	C17-V21 VanDerWaalsContact O-CG2 3.3Å; C17-V21 WeakPolarHBondContact O-CG2 3.41Å; C17-V21 PolarHBondContact O-N 3.23Å; L18-V21 PolarHBondContact O-N 3.37Å
22	A	54.4	Low	57.2	Low	44 Å²	44	106.5 Å²	106.5	36%	0.364	56%	0.555	S	S	.	*	H	α-helix	trans	-74.2	-23.5	177.3	0	0	0	0	0	114.3	L18 L19 K20 I37	L18-A22 WeakPolarHBondContact O-CB 3.35Å; L18-A22 PolarHBondContact O-N 3.48Å; L19-A22 PolarHBondContact O-N 3.37Å; K20-A22 PolarHBondContact O-N 3.42Å; A22-I37 HydrophobicContact CB-CD1 3.95Å; A22-I37 HydrophobicContact CB-CG1 4.24Å
23	I	57.6	Low	57.2	Low	111 Å²	111	105.9 Å²	105.9	57%	0.569	55%	0.552	S	S	*	*	H	α-helix	trans	-96.4	-35.5	-177.8	-67.9	167.7	0	0	0	111.8	L19 K20 D25	L19-I23 HydrophobicContact CD2-CD1 4.01Å; L19-I23 HydrophobicContact CG-CD1 4.44Å; L19-I23 WeakPolarHBondContact O-CB 3.16Å; L19-I23 WeakPolarHBondContact O-CD1 3.32Å; L19-I23 VanDerWaalsContact O-CG1 3.23Å; L19-I23 WeakPolarHBondContact O-CG1 3.43Å; L19-I23 PolarHBondContact O-N 2.94Å; K20-I23 PolarHBondContact O-N 3.15Å; K20-I23 VanDerWaalsContact O-N 3.15Å; I23-D25 VanDerWaalsContact C-N 3.33Å
24	D	56.7	Low	57.6	Low	132 Å²	132	103.4 Å²	103.4	71%	0.706	54%	0.536	S	S	*	.	H	α-helix	trans	-79.2	-14.3	-179.5	-76.4	-23.7	0	0	0	113	K20 D26	K20-D24 WeakPolarHBondContact O-CB 3.35Å; K20-D24 PolarHBondContact O-N 3.14Å; D24-D26 PolarHBondContact O-N 3.27Å; D24-D26 VanDerWaalsContact O-N 3.07Å
25	D	48.9	Very low	58.1	Low	100 Å²	100	104.8 Å²	104.8	54%	0.535	54%	0.539	S	S	.	.			trans	-83.5	66.8	170.3	-111.1	-16.5	0	0	0	110.3	I23 D27	I23-D25 VanDerWaalsContact C-N 3.33Å; D25-D27 PolarHBondContact O-N 3.12Å
26	D	53.7	Low	58.4	Low	153 Å²	153	107.3 Å²	107.3	82%	0.818	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	1.9	-176.8	-133.9	-5.7	0	0	0	113.9	D24	D24-D26 PolarHBondContact O-N 3.27Å; D24-D26 VanDerWaalsContact O-N 3.07Å
27	D	48.5	Very low	58.8	Low	153 Å²	153	105.3 Å²	105.3	82%	0.818	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.3	-2.5	-169.1	-104.8	-25.5	0	0	0	116.9	D25	D25-D27 PolarHBondContact O-N 3.12Å
28	R	46.1	Very low	59.5	Low	195 Å²	195	105.5 Å²	105.5	74%	0.736	53%	0.534	S	S	*	.			trans	-150.6	91.3	170.6	-61	-174.7	-154.7	-159.4	4.8	114.5	T30 N33	R28-T30 HydrophobicContact CB-CG2 3.91Å; R28-T30 PolarHBondContact O-N 2.97Å; R28-N33 PolarHBondContact O-ND2 2.91Å
29	F	54.7	Low	60.4	Low	182 Å²	182	106.1 Å²	106.1	80%	0.798	54%	0.537	S	S	*	.			trans	-65.8	72.8	152.5	-90	-89.6	0	0	0	110.1	V34	F29-V34 HydrophobicContact CD1-CG2 3.6Å; F29-V34 HydrophobicContact CE1-CG2 4.23Å
30	T	62.3	Low	61.1	Low	55 Å²	55	105.3 Å²	105.3	34%	0.337	53%	0.533	S	S	.	.			trans	-72.6	145.9	166.1	64.8	0	0	0	0	109	R28 E32 N33 V34	R28-T30 HydrophobicContact CB-CG2 3.91Å; R28-T30 PolarHBondContact O-N 2.97Å; T30-E32 PolarHBondContact O-N 2.84Å; T30-N33 PolarHBondContact O-N 2.64Å; T30-N33 PolarHBondContact OG1-N 3.37Å; T30-V34 PolarHBondContact O-N 2.82Å; T30-V34 VanDerWaalsContact O-N 3.17Å
31	N	59.7	Low	61.9	Low	138 Å²	138	102.4 Å²	102.4	74%	0.738	52%	0.524	S	S	*	.	H	α-helix	trans	-52.1	-27.8	172.8	-80.7	-21.1	0	0	0	112.2	N35	N31-N35 WeakPolarHBondContact O-CB 3.4Å; N31-N35 PolarHBondContact O-N 3.33Å; N31-N35 PolarHBondContact O-ND2 3.3Å
32	E	66.3	Low	62.7	Low	122 Å²	122	103.2 Å²	103.2	57%	0.57	52%	0.524	S	S	*	.	H	α-helix	trans	-69.4	-43	177.4	-157.2	-172.3	144.4	0	0	112.7	T30 N35 K36	T30-E32 PolarHBondContact O-N 2.84Å; E32-N35 PolarHBondContact O-N 2.69Å; E32-K36 WeakPolarHBondContact O-CG 3.42Å; E32-K36 PolarHBondContact O-N 3.41Å; E32-K36 WeakPolarHBondContact OE1-CE 3.24Å; E32-K36 IonicContact OE1-NZ 2.76Å; E32-K36 PolarHBondContact OE1-NZ 2.83Å
33	N	61	Low	63.7	Low	56 Å²	56	104.7 Å²	104.7	30%	0.299	53%	0.529	S	S	.	.	H	α-helix	trans	-68	-40	177.6	-73.3	-12.3	0	0	0	111.4	R28 T30 N35 K36 I37	R28-N33 PolarHBondContact O-ND2 2.91Å; T30-N33 PolarHBondContact O-N 2.64Å; T30-N33 PolarHBondContact OG1-N 3.37Å; N33-N35 PolarHBondContact O-N 3.45Å; N33-K36 PolarHBondContact O-N 3.05Å; N33-I37 WeakPolarHBondContact O-CG1 3.41Å; N33-I37 PolarHBondContact O-N 2.86Å
34	V	66.1	Low	64.4	Low	44 Å²	44	105.2 Å²	105.2	27%	0.267	52%	0.524	S	S	.	.	H	α-helix	trans	-61.2	-46	174	176.5	0	0	0	0	110.9	F29 T30 K36 I37 I38	F29-V34 HydrophobicContact CD1-CG2 3.6Å; F29-V34 HydrophobicContact CE1-CG2 4.23Å; T30-V34 PolarHBondContact O-N 2.82Å; T30-V34 VanDerWaalsContact O-N 3.17Å; V34-K36 VanDerWaalsContact C-N 3.33Å; V34-K36 PolarHBondContact O-N 3.22Å; V34-I37 PolarHBondContact O-N 2.72Å; V34-I38 HydrophobicContact CG1-CD1 3.68Å; V34-I38 HydrophobicContact CG1-CG1 4.3Å; V34-I38 WeakPolarHBondContact O-CB 3.33Å; V34-I38 VanDerWaalsContact O-CG1 3.28Å; V34-I38 WeakPolarHBondContact O-CG1 3.43Å; V34-I38 PolarHBondContact O-N 3.42Å
35	N	70.6	Confident	65.2	Low	92 Å²	92	102 Å²	102	49%	0.492	51%	0.512	S	S	.	.	H	α-helix	trans	-62.4	-39.3	177.2	-74.6	-20.2	0	0	0	112	N31 E32 N33 I38 I39	N31-N35 WeakPolarHBondContact O-CB 3.4Å; N31-N35 PolarHBondContact O-N 3.33Å; N31-N35 PolarHBondContact O-ND2 3.3Å; E32-N35 PolarHBondContact O-N 2.69Å; N33-N35 PolarHBondContact O-N 3.45Å; N35-I38 PolarHBondContact O-N 3.21Å; N35-I39 WeakPolarHBondContact O-CB 3.35Å; N35-I39 WeakPolarHBondContact O-CD1 3.32Å; N35-I39 WeakPolarHBondContact O-CG1 3.43Å; N35-I39 PolarHBondContact O-N 3.07Å
36	K	68	Low	66.3	Low	104 Å²	104	105.1 Å²	105.1	45%	0.452	52%	0.517	S	S	.	.	H	α-helix	trans	-62.5	-44.6	175.2	-74.9	171.3	-173.9	162.9	0	111.9	E32 N33 V34 I39 L40	E32-K36 WeakPolarHBondContact O-CG 3.42Å; E32-K36 PolarHBondContact O-N 3.41Å; E32-K36 WeakPolarHBondContact OE1-CE 3.24Å; E32-K36 IonicContact OE1-NZ 2.76Å; E32-K36 PolarHBondContact OE1-NZ 2.83Å; N33-K36 PolarHBondContact O-N 3.05Å; V34-K36 VanDerWaalsContact C-N 3.33Å; V34-K36 PolarHBondContact O-N 3.22Å; K36-I39 PolarHBondContact O-N 3.17Å; K36-L40 WeakPolarHBondContact O-CB 3.17Å; K36-L40 VanDerWaalsContact O-CG 3.29Å; K36-L40 WeakPolarHBondContact O-CG 3.45Å; K36-L40 PolarHBondContact O-N 3.13Å
37	I	69.4	Low	66.9	Low	61 Å²	61	103.5 Å²	103.5	31%	0.313	50%	0.5	S	S	.	.	H	α-helix	trans	-63.5	-45.6	176.4	-65.2	165	0	0	0	110.6	A22 N33 V34 I39 L40 L41	A22-I37 HydrophobicContact CB-CD1 3.95Å; A22-I37 HydrophobicContact CB-CG1 4.24Å; N33-I37 WeakPolarHBondContact O-CG1 3.41Å; N33-I37 PolarHBondContact O-N 2.86Å; V34-I37 PolarHBondContact O-N 2.72Å; I37-I39 VanDerWaalsContact C-N 3.35Å; I37-I39 PolarHBondContact O-N 2.7Å; I37-L40 PolarHBondContact O-N 3.11Å; I37-L41 HydrophobicContact CG2-CD1 3.94Å; I37-L41 HydrophobicContact CG2-CG 4.34Å; I37-L41 WeakPolarHBondContact O-CG 3.01Å; I37-L41 PolarHBondContact O-N 3.32Å
38	I	73.7	Confident	67.8	Low	81 Å²	81	101 Å²	101	42%	0.415	48%	0.48	S	S	.	.	H	α-helix	trans	-60.1	-45.8	177.4	-70.2	170.7	0	0	0	110.6	V34 N35 L40 L41 I42	V34-I38 HydrophobicContact CG1-CD1 3.68Å; V34-I38 HydrophobicContact CG1-CG1 4.3Å; V34-I38 WeakPolarHBondContact O-CB 3.33Å; V34-I38 VanDerWaalsContact O-CG1 3.28Å; V34-I38 WeakPolarHBondContact O-CG1 3.43Å; V34-I38 PolarHBondContact O-N 3.42Å; N35-I38 PolarHBondContact O-N 3.21Å; I38-L40 VanDerWaalsContact C-N 3.33Å; I38-L40 PolarHBondContact O-N 2.98Å; I38-L41 PolarHBondContact O-N 2.64Å; I38-I42 HydrophobicContact CG2-CD1 3.62Å; I38-I42 HydrophobicContact CG2-CG1 4.32Å; I38-I42 WeakPolarHBondContact O-CB 3.33Å; I38-I42 VanDerWaalsContact O-CG1 3.24Å; I38-I42 WeakPolarHBondContact O-CG1 2.95Å; I38-I42 PolarHBondContact O-N 2.69Å
39	I	75.9	Confident	68.9	Low	103 Å²	103	98.4 Å²	98.4	53%	0.528	47%	0.471	S	S	.	.	H	α-helix	trans	-61.2	-43.3	177.4	-70.2	164.5	0	0	0	110.5	N35 K36 I37 I42 T43	N35-I39 WeakPolarHBondContact O-CB 3.35Å; N35-I39 WeakPolarHBondContact O-CD1 3.32Å; N35-I39 WeakPolarHBondContact O-CG1 3.43Å; N35-I39 PolarHBondContact O-N 3.07Å; K36-I39 PolarHBondContact O-N 3.17Å; I37-I39 VanDerWaalsContact C-N 3.35Å; I37-I39 PolarHBondContact O-N 2.7Å; I39-I42 PolarHBondContact O-N 3.29Å; I39-T43 HydrophobicContact CG2-CG2 4.31Å; I39-T43 WeakPolarHBondContact O-CB 3.47Å; I39-T43 VanDerWaalsContact O-CG2 3.32Å; I39-T43 WeakPolarHBondContact O-CG2 2.97Å; I39-T43 PolarHBondContact O-N 2.02Å; I39-T43 PolarHBondContact O-OG1 3.17Å
40	L	72.8	Confident	69.5	Low	56 Å²	56	95.1 Å²	95.1	29%	0.293	45%	0.454	S	S	.	.	H	α-helix	trans	-62.7	-41.7	176.6	-74.9	167.3	0	0	0	112.4	L18 K36 I37 I38 T43 W44	L18-L40 HydrophobicContact CD1-CD1 4.39Å; L18-L40 HydrophobicContact CD1-CD2 4.43Å; K36-L40 WeakPolarHBondContact O-CB 3.17Å; K36-L40 VanDerWaalsContact O-CG 3.29Å; K36-L40 WeakPolarHBondContact O-CG 3.45Å; K36-L40 PolarHBondContact O-N 3.13Å; I37-L40 PolarHBondContact O-N 3.11Å; I38-L40 VanDerWaalsContact C-N 3.33Å; I38-L40 PolarHBondContact O-N 2.98Å; L40-T43 WeakPolarHBondContact CA-OG1 3.3Å; L40-T43 PolarHBondContact O-N 3.28Å; L40-T43 PolarHBondContact O-OG1 3.49Å; L40-W44 VanDerWaalsContact O-CB 3.22Å; L40-W44 WeakPolarHBondContact O-CB 3.42Å; L40-W44 PolarHBondContact O-N 2.77Å
41	L	74.3	Confident	69.6	Low	82 Å²	82	96.4 Å²	96.4	43%	0.429	45%	0.454	S	S	.	.	H	α-helix	trans	-67.4	-38.8	177.1	-70.1	173	0	0	0	111.9	I37 I38 S45	I37-L41 HydrophobicContact CG2-CD1 3.94Å; I37-L41 HydrophobicContact CG2-CG 4.34Å; I37-L41 WeakPolarHBondContact O-CG 3.01Å; I37-L41 PolarHBondContact O-N 3.32Å; I38-L41 PolarHBondContact O-N 2.64Å; L41-S45 VanDerWaalsContact O-CB 3.27Å; L41-S45 WeakPolarHBondContact O-CB 3.43Å; L41-S45 PolarHBondContact O-N 3.49Å; L41-S45 PolarHBondContact O-OG 3.35Å
42	I	76.9	Confident	69.6	Low	104 Å²	104	93.6 Å²	93.6	53%	0.533	43%	0.433	S	S	.	.	H	α-helix	trans	-67.1	-45.6	176	-69	168.9	0	0	0	110.5	I38 I39 S45 Y46	I38-I42 HydrophobicContact CG2-CD1 3.62Å; I38-I42 HydrophobicContact CG2-CG1 4.32Å; I38-I42 WeakPolarHBondContact O-CB 3.33Å; I38-I42 VanDerWaalsContact O-CG1 3.24Å; I38-I42 WeakPolarHBondContact O-CG1 2.95Å; I38-I42 PolarHBondContact O-N 2.69Å; I39-I42 PolarHBondContact O-N 3.29Å; I42-S45 PolarHBondContact O-N 3.43Å; I42-Y46 WeakPolarHBondContact O-CB 3.45Å; I42-Y46 PolarHBondContact O-N 3.48Å
43	T	75.2	Confident	69.1	Low	75 Å²	75	94.6 Å²	94.6	46%	0.46	43%	0.433	S	S	.	.	H	α-helix	trans	-66.3	-39.9	178.9	53.5	0	0	0	0	111.4	I39 L40 Y46 Y47	I39-T43 HydrophobicContact CG2-CG2 4.31Å; I39-T43 WeakPolarHBondContact O-CB 3.47Å; I39-T43 VanDerWaalsContact O-CG2 3.32Å; I39-T43 WeakPolarHBondContact O-CG2 2.97Å; I39-T43 PolarHBondContact O-N 2.02Å; I39-T43 PolarHBondContact O-OG1 3.17Å; L40-T43 WeakPolarHBondContact CA-OG1 3.3Å; L40-T43 PolarHBondContact O-N 3.28Å; L40-T43 PolarHBondContact O-OG1 3.49Å; T43-Y46 PolarHBondContact O-N 3.2Å; T43-Y47 VanDerWaalsContact O-CB 3.23Å; T43-Y47 WeakPolarHBondContact O-CB 3.49Å; T43-Y47 PolarHBondContact O-N 3.16Å
44	W	72.7	Confident	68.7	Low	122 Å²	122	98.5 Å²	98.5	46%	0.462	45%	0.445	S	S	.	.	H	α-helix	trans	-62.4	-45.6	173.3	-171.8	85	0	0	0	111.7	L40 Y47 Y48	L40-W44 VanDerWaalsContact O-CB 3.22Å; L40-W44 WeakPolarHBondContact O-CB 3.42Å; L40-W44 PolarHBondContact O-N 2.77Å; W44-Y47 PolarHBondContact O-N 3.37Å; W44-Y48 HydrophobicContact CH2-CD2 4.49Å; W44-Y48 HydrophobicContact CZ2-CD2 4.39Å; W44-Y48 WeakPolarHBondContact O-CB 3.24Å; W44-Y48 PolarHBondContact O-N 2.97Å
45	S	72.5	Confident	68.1	Low	65 Å²	65	101.2 Å²	101.2	46%	0.455	45%	0.453	S	S	.	.	H	α-helix	trans	-64	-42.9	178.1	-59.7	0	0	0	0	112.3	L41 I42 Y49	L41-S45 VanDerWaalsContact O-CB 3.27Å; L41-S45 WeakPolarHBondContact O-CB 3.43Å; L41-S45 PolarHBondContact O-N 3.49Å; L41-S45 PolarHBondContact O-OG 3.35Å; I42-S45 PolarHBondContact O-N 3.43Å; S45-Y49 VanDerWaalsContact O-CB 3.27Å; S45-Y49 WeakPolarHBondContact O-CB 3.42Å; S45-Y49 PolarHBondContact O-N 2.95Å
46	Y	71.5	Confident	67.4	Low	164 Å²	164	100.3 Å²	100.3	64%	0.643	45%	0.447	S	S	*	.	H	α-helix	trans	-67.1	-41.8	177.9	-166.9	-91.3	0	0	0	111.5	I42 T43 Y49 Y50	I42-Y46 WeakPolarHBondContact O-CB 3.45Å; I42-Y46 PolarHBondContact O-N 3.48Å; T43-Y46 PolarHBondContact O-N 3.2Å; Y46-Y49 PolarHBondContact O-N 2.68Å; Y46-Y50 WeakPolarHBondContact O-CB 3.49Å; Y46-Y50 PolarHBondContact O-N 3.46Å
47	Y	65.7	Low	66.5	Low	119 Å²	119	96.3 Å²	96.3	47%	0.467	44%	0.436	S	S	.	.	H	α-helix	trans	-69.5	-40.8	177.9	-165.9	-83.5	0	0	0	111.9	W8 T43 W44 Y50 Y51	W8-Y47 HydrophobicContact CH2-CD1 4.06Å; W8-Y47 AromaticContact CH2-CE1 3.38Å; W8-Y47 HydrophobicContact CH2-CE1 3.38Å; W8-Y47 AromaticContact CZ2-CE1 3.79Å; W8-Y47 HydrophobicContact CZ2-CE1 3.79Å; W8-Y47 HydrophobicContact CZ3-CE1 4.31Å; T43-Y47 VanDerWaalsContact O-CB 3.23Å; T43-Y47 WeakPolarHBondContact O-CB 3.49Å; T43-Y47 PolarHBondContact O-N 3.16Å; W44-Y47 PolarHBondContact O-N 3.37Å; Y47-Y50 PolarHBondContact O-N 3.31Å; Y47-Y51 VanDerWaalsContact O-CB 3.29Å; Y47-Y51 WeakPolarHBondContact O-CB 3.02Å; Y47-Y51 PolarHBondContact O-N 3.11Å
48	Y	68.4	Low	65.6	Low	102 Å²	102	96 Å²	96	40%	0.4	44%	0.437	S	S	.	.	H	α-helix	trans	-62.2	-46	174.4	-172.8	-90.6	0	0	0	110.9	W44 Y50 Y51 Y52	W44-Y48 HydrophobicContact CH2-CD2 4.49Å; W44-Y48 HydrophobicContact CZ2-CD2 4.39Å; W44-Y48 WeakPolarHBondContact O-CB 3.24Å; W44-Y48 PolarHBondContact O-N 2.97Å; Y48-Y50 PolarHBondContact O-N 2.9Å; Y48-Y51 PolarHBondContact O-N 2.94Å; Y48-Y52 HydrophobicContact CE1-CD2 4.45Å; Y48-Y52 WeakPolarHBondContact O-CB 3.41Å; Y48-Y52 PolarHBondContact O-N 3.35Å
49	Y	69.4	Low	64.5	Low	139 Å²	139	95.3 Å²	95.3	55%	0.545	44%	0.436	S	S	.	.	H	α-helix	trans	-58.7	-47	174.2	-177.8	-93.5	0	0	0	111.4	S45 Y46 Y53	S45-Y49 VanDerWaalsContact O-CB 3.27Å; S45-Y49 WeakPolarHBondContact O-CB 3.42Å; S45-Y49 PolarHBondContact O-N 2.95Å; Y46-Y49 PolarHBondContact O-N 2.68Å; Y49-Y53 HydrophobicContact CD1-CD2 4.5Å; Y49-Y53 AromaticContact CD2-CD2 3.51Å; Y49-Y53 HydrophobicContact CD2-CD2 3.51Å; Y49-Y53 AromaticContact CD2-CE2 3.63Å; Y49-Y53 HydrophobicContact CD2-CE2 3.63Å; Y49-Y53 HydrophobicContact CE1-CD2 4.41Å; Y49-Y53 AromaticContact CE2-CD2 3.41Å; Y49-Y53 HydrophobicContact CE2-CD2 3.41Å; Y49-Y53 VanDerWaalsContact CE2-CD2 3.41Å; Y49-Y53 AromaticContact CE2-CE2 3.37Å; Y49-Y53 HydrophobicContact CE2-CE2 3.37Å; Y49-Y53 HydrophobicContact CE2-CG 4.2Å; Y49-Y53 HydrophobicContact CG-CD2 4.08Å; Y49-Y53 AromaticContact CZ-CD2 3.89Å; Y49-Y53 VanDerWaalsContact O-CB 3.3Å; Y49-Y53 WeakPolarHBondContact O-CB 3.21Å; Y49-Y53 PolarHBondContact O-N 3.44Å
50	Y	66.3	Low	63.1	Low	113 Å²	113	91.9 Å²	91.9	44%	0.443	42%	0.42	S	S	.	.	H	α-helix	trans	-67	-44.2	179.5	-160.4	-88.4	0	0	0	112.1	Y46 Y47 Y48 Y54	Y46-Y50 WeakPolarHBondContact O-CB 3.49Å; Y46-Y50 PolarHBondContact O-N 3.46Å; Y47-Y50 PolarHBondContact O-N 3.31Å; Y48-Y50 PolarHBondContact O-N 2.9Å; Y50-Y54 HydrophobicContact CD2-CD2 4.09Å; Y50-Y54 HydrophobicContact CE1-CG 4.14Å; Y50-Y54 AromaticContact CE2-CD2 3.76Å; Y50-Y54 HydrophobicContact CE2-CD2 3.76Å; Y50-Y54 HydrophobicContact CE2-CE2 4.09Å; Y50-Y54 HydrophobicContact CE2-CG 4.12Å; Y50-Y54 AromaticContact CZ-CG 3.9Å; Y50-Y54 WeakPolarHBondContact O-CA 3.02Å; Y50-Y54 WeakPolarHBondContact O-CB 3.32Å; Y50-Y54 PolarHBondContact O-N 3.36Å
51	Y	64.5	Low	61.6	Low	83 Å²	83	94.1 Å²	94.1	33%	0.325	43%	0.432	S	S	.	.	I	π-helix	trans	-65	-44.8	178.1	-175.9	-98.1	0	0	0	111.6	W8 Y47 Y48 F55 I56	W8-Y51 HydrophobicContact CZ2-CD2 4.23Å; W8-Y51 HydrophobicContact CZ2-CE2 4.17Å; Y47-Y51 VanDerWaalsContact O-CB 3.29Å; Y47-Y51 WeakPolarHBondContact O-CB 3.02Å; Y47-Y51 PolarHBondContact O-N 3.11Å; Y48-Y51 PolarHBondContact O-N 2.94Å; Y51-F55 HydrophobicContact CD2-CB 3.96Å; Y51-F55 HydrophobicContact CD2-CG 4.32Å; Y51-F55 HydrophobicContact CE2-CB 4.16Å; Y51-F55 HydrophobicContact CE2-CD1 4.27Å; Y51-F55 HydrophobicContact CE2-CG 4.23Å; Y51-F55 HydrophobicContact CG-CB 4.44Å; Y51-F55 WeakPolarHBondContact O-CA 3.42Å; Y51-F55 WeakPolarHBondContact O-CB 3.02Å; Y51-F55 PolarHBondContact O-N 3.41Å; Y51-I56 PolarHBondContact O-N 3.18Å
52	Y	59.6	Low	60.1	Low	79 Å²	79	97 Å²	97	31%	0.31	44%	0.443	S	S	.	.	I	π-helix	trans	-69	-47	-178.8	-166.1	-87.3	0	0	0	111.8	Y48 I56 H318	Y48-Y52 HydrophobicContact CE1-CD2 4.45Å; Y48-Y52 WeakPolarHBondContact O-CB 3.41Å; Y48-Y52 PolarHBondContact O-N 3.35Å; Y52-I56 HydrophobicContact CD2-CD1 3.76Å; Y52-I56 HydrophobicContact CE2-CD1 4.04Å; Y52-I56 HydrophobicContact CG-CD1 4.29Å; Y52-I56 VanDerWaalsContact O-CB 3.31Å; Y52-I56 WeakPolarHBondContact O-CB 3.33Å; Y52-H318 PolarHBondContact OH-NE2 3.32Å
53	Y	56.5	Low	58.4	Low	142 Å²	142	97.7 Å²	97.7	56%	0.557	45%	0.448	S	S	*	.	I	π-helix	trans	-81.6	-44.5	-178.2	-84	-86.6	0	0	0	113.4	Y49 G57	Y49-Y53 HydrophobicContact CD1-CD2 4.5Å; Y49-Y53 AromaticContact CD2-CD2 3.51Å; Y49-Y53 HydrophobicContact CD2-CD2 3.51Å; Y49-Y53 AromaticContact CD2-CE2 3.63Å; Y49-Y53 HydrophobicContact CD2-CE2 3.63Å; Y49-Y53 HydrophobicContact CE1-CD2 4.41Å; Y49-Y53 AromaticContact CE2-CD2 3.41Å; Y49-Y53 HydrophobicContact CE2-CD2 3.41Å; Y49-Y53 VanDerWaalsContact CE2-CD2 3.41Å; Y49-Y53 AromaticContact CE2-CE2 3.37Å; Y49-Y53 HydrophobicContact CE2-CE2 3.37Å; Y49-Y53 HydrophobicContact CE2-CG 4.2Å; Y49-Y53 HydrophobicContact CG-CD2 4.08Å; Y49-Y53 AromaticContact CZ-CD2 3.89Å; Y49-Y53 VanDerWaalsContact O-CB 3.3Å; Y49-Y53 WeakPolarHBondContact O-CB 3.21Å; Y49-Y53 PolarHBondContact O-N 3.44Å; Y53-G57 WeakPolarHBondContact O-CA 3.45Å; Y53-G57 PolarHBondContact O-N 3.27Å
54	Y	53.9	Low	57	Low	139 Å²	139	99.9 Å²	99.9	55%	0.545	45%	0.453	S	S	.	.	I	π-helix	trans	-80.2	-49.4	-176.9	-109.9	-90.2	0	0	0	111	Y50 T58	Y50-Y54 HydrophobicContact CD2-CD2 4.09Å; Y50-Y54 HydrophobicContact CE1-CG 4.14Å; Y50-Y54 AromaticContact CE2-CD2 3.76Å; Y50-Y54 HydrophobicContact CE2-CD2 3.76Å; Y50-Y54 HydrophobicContact CE2-CE2 4.09Å; Y50-Y54 HydrophobicContact CE2-CG 4.12Å; Y50-Y54 AromaticContact CZ-CG 3.9Å; Y50-Y54 WeakPolarHBondContact O-CA 3.02Å; Y50-Y54 WeakPolarHBondContact O-CB 3.32Å; Y50-Y54 PolarHBondContact O-N 3.36Å; Y54-T58 HydrophobicContact CD1-CG2 4.4Å; Y54-T58 VanDerWaalsContact O-CB 3.25Å; Y54-T58 WeakPolarHBondContact O-CB 3.14Å; Y54-T58 WeakPolarHBondContact O-CG2 3.18Å; Y54-T58 PolarHBondContact O-N 3.5Å; Y54-T58 PolarHBondContact O-OG1 3.37Å
55	F	52.7	Low	55.5	Low	101 Å²	101	98.7 Å²	98.7	44%	0.443	46%	0.463	S	S	.	.	I	π-helix	trans	-80.5	-42.7	-170.1	-135.3	-91.9	0	0	0	113.1	Y51 T58 V59	Y51-F55 HydrophobicContact CD2-CB 3.96Å; Y51-F55 HydrophobicContact CD2-CG 4.32Å; Y51-F55 HydrophobicContact CE2-CB 4.16Å; Y51-F55 HydrophobicContact CE2-CD1 4.27Å; Y51-F55 HydrophobicContact CE2-CG 4.23Å; Y51-F55 HydrophobicContact CG-CB 4.44Å; Y51-F55 WeakPolarHBondContact O-CA 3.42Å; Y51-F55 WeakPolarHBondContact O-CB 3.02Å; Y51-F55 PolarHBondContact O-N 3.41Å; F55-T58 PolarHBondContact O-OG1 3.39Å; F55-V59 HydrophobicContact CD1-CG2 4.12Å; F55-V59 HydrophobicContact CE1-CG2 4.3Å; F55-V59 WeakPolarHBondContact O-CB 3.04Å; F55-V59 WeakPolarHBondContact O-CG2 3.23Å; F55-V59 PolarHBondContact O-N 3.34Å
56	I	54.9	Low	53.7	Low	72 Å²	72	106.5 Å²	106.5	37%	0.369	48%	0.483	S	S	.	.	I	π-helix	trans	-69.1	-41.7	173	-53.2	179.7	0	0	0	109.3	Y51 Y52 T58 V59 V60	Y51-I56 PolarHBondContact O-N 3.18Å; Y52-I56 HydrophobicContact CD2-CD1 3.76Å; Y52-I56 HydrophobicContact CE2-CD1 4.04Å; Y52-I56 HydrophobicContact CG-CD1 4.29Å; Y52-I56 VanDerWaalsContact O-CB 3.31Å; Y52-I56 WeakPolarHBondContact O-CB 3.33Å; I56-T58 PolarHBondContact O-N 3.03Å; I56-V59 PolarHBondContact O-N 2.66Å; I56-V60 HydrophobicContact CG2-CG2 4.24Å; I56-V60 WeakPolarHBondContact O-CB 3.47Å; I56-V60 WeakPolarHBondContact O-CG2 3.35Å; I56-V60 PolarHBondContact O-N 2.65Å
57	G	50.3	Low	51.8	Low	21 Å²	21	103.4 Å²	103.4	22%	0.216	49%	0.485	C	S	.	.	H	α-helix	trans	-61.8	-34.9	175.3	0	0	0	0	0	114.4	Y53 N61	Y53-G57 WeakPolarHBondContact O-CA 3.45Å; Y53-G57 PolarHBondContact O-N 3.27Å; G57-N61 VanDerWaalsContact O-CB 3.25Å; G57-N61 WeakPolarHBondContact O-CB 3.34Å; G57-N61 PolarHBondContact O-N 2.05Å; G57-N61 PolarHBondContact O-ND2 3.05Å
58	T	49.5	Very low	50.1	Low	55 Å²	55	102.9 Å²	102.9	34%	0.337	50%	0.499	S	S	.	.	H	α-helix	trans	-81.2	-36.6	176.5	55.3	0	0	0	0	112.9	Y54 F55 I56 V60 N61 E62	Y54-T58 HydrophobicContact CD1-CG2 4.4Å; Y54-T58 VanDerWaalsContact O-CB 3.25Å; Y54-T58 WeakPolarHBondContact O-CB 3.14Å; Y54-T58 WeakPolarHBondContact O-CG2 3.18Å; Y54-T58 PolarHBondContact O-N 3.5Å; Y54-T58 PolarHBondContact O-OG1 3.37Å; F55-T58 PolarHBondContact O-OG1 3.39Å; I56-T58 PolarHBondContact O-N 3.03Å; T58-V60 PolarHBondContact O-N 2.93Å; T58-N61 PolarHBondContact O-N 3.31Å; T58-E62 WeakPolarHBondContact O-CB 3.37Å; T58-E62 WeakPolarHBondContact O-CG 2.93Å; T58-E62 PolarHBondContact O-N 3.41Å
59	V	50.1	Low	48.4	Very low	65 Å²	65	104.8 Å²	104.8	39%	0.394	52%	0.521	S	S	.	.	H	α-helix	trans	-66.5	-29.4	174.2	172	0	0	0	0	110.9	F55 I56 N63	F55-V59 HydrophobicContact CD1-CG2 4.12Å; F55-V59 HydrophobicContact CE1-CG2 4.3Å; F55-V59 WeakPolarHBondContact O-CB 3.04Å; F55-V59 WeakPolarHBondContact O-CG2 3.23Å; F55-V59 PolarHBondContact O-N 3.34Å; I56-V59 PolarHBondContact O-N 2.66Å; V59-N63 PolarHBondContact O-ND2 3.32Å
60	V	47.1	Very low	46.6	Very low	31 Å²	31	105.7 Å²	105.7	19%	0.188	54%	0.541	C	S	.	.	H	α-helix	trans	-80	-38.5	172.9	-176.8	0	0	0	0	112.1	I56 T58 N63 H64 E236	I56-V60 HydrophobicContact CG2-CG2 4.24Å; I56-V60 WeakPolarHBondContact O-CB 3.47Å; I56-V60 WeakPolarHBondContact O-CG2 3.35Å; I56-V60 PolarHBondContact O-N 2.65Å; T58-V60 PolarHBondContact O-N 2.93Å; V60-N63 PolarHBondContact O-N 3.02Å; V60-H64 PolarHBondContact O-N 3.37Å; V60-H64 VanDerWaalsContact O-N 3.15Å; V60-E236 WeakPolarHBondContact CB-OE1 3.32Å; V60-E236 HydrophobicContact CG1-CG 3.53Å; V60-E236 WeakPolarHBondContact CG1-OE1 2.96Å; V60-E236 HydrophobicContact CG2-CG 4.44Å
61	N	41.2	Very low	44.9	Very low	103 Å²	103	104.3 Å²	104.3	55%	0.551	55%	0.552	S	S	*	*	H	α-helix	trans	-72.3	-28.9	176.3	-82.9	-43.2	0	0	0	114.6	G57 T58 N63 H64 S65	G57-N61 VanDerWaalsContact O-CB 3.25Å; G57-N61 WeakPolarHBondContact O-CB 3.34Å; G57-N61 PolarHBondContact O-N 2.05Å; G57-N61 PolarHBondContact O-ND2 3.05Å; T58-N61 PolarHBondContact O-N 3.31Å; N61-N63 VanDerWaalsContact C-N 3.26Å; N61-N63 PolarHBondContact O-N 2.78Å; N61-H64 PolarHBondContact O-N 3.25Å; N61-S65 PolarHBondContact O-N 2.78Å; N61-S65 VanDerWaalsContact O-N 3.08Å; N61-S65 PolarHBondContact O-OG 2.03Å
62	E	44.1	Very low	43.3	Very low	143 Å²	143	103.3 Å²	103.3	67%	0.668	57%	0.567	S	S	*	*	H	α-helix	trans	-70.8	-22.9	172.5	-77.3	-175.2	170.6	0	0	112.5	T58 S65	T58-E62 WeakPolarHBondContact O-CB 3.37Å; T58-E62 WeakPolarHBondContact O-CG 2.93Å; T58-E62 PolarHBondContact O-N 3.41Å; E62-S65 PolarHBondContact O-OG 2.92Å
63	N	41.2	Very low	41.9	Very low	119 Å²	119	106.3 Å²	106.3	64%	0.636	59%	0.589	S	S	*	*	H	α-helix	trans	-82	-24.3	168.8	-76.3	-43.4	0	0	0	112.7	V59 V60 N61	V59-N63 PolarHBondContact O-ND2 3.32Å; V60-N63 PolarHBondContact O-N 3.02Å; N61-N63 VanDerWaalsContact C-N 3.26Å; N61-N63 PolarHBondContact O-N 2.78Å
64	H	44.7	Very low	41.1	Very low	121 Å²	121	106.7 Å²	106.7	56%	0.56	59%	0.594	S	S	*	*	H	α-helix	trans	-84.1	-18.2	176.9	-88.7	-53.5	0	0	0	115	V60 N61 R66	V60-H64 PolarHBondContact O-N 3.37Å; V60-H64 VanDerWaalsContact O-N 3.15Å; N61-H64 PolarHBondContact O-N 3.25Å; H64-R66 VanDerWaalsContact C-N 3.3Å; H64-R66 PolarHBondContact O-N 3.15Å
65	S	40.9	Very low	40.7	Very low	96 Å²	96	107.3 Å²	107.3	67%	0.671	60%	0.603	S	S	*	*	S	Bend	trans	-81.6	-4.2	174.7	58.2	0	0	0	0	114.2	N61 E62 S67	N61-S65 PolarHBondContact O-N 2.78Å; N61-S65 VanDerWaalsContact O-N 3.08Å; N61-S65 PolarHBondContact O-OG 2.03Å; E62-S65 PolarHBondContact O-OG 2.92Å; S65-S67 VanDerWaalsContact C-N 3.34Å; S65-S67 PolarHBondContact O-N 2.84Å
66	R	35.9	Very low	41	Very low	230 Å²	230	104.5 Å²	104.5	87%	0.868	59%	0.593	S	S	*	*			trans	-90.7	68.4	161.2	-80	-177.2	175.6	177	-0.2	110.5	H64	H64-R66 VanDerWaalsContact C-N 3.3Å; H64-R66 PolarHBondContact O-N 3.15Å
67	S	31.5	Very low	42.3	Very low	98 Å²	98	105 Å²	105	69%	0.685	60%	0.596	S	S	*	*			trans	-124.2	86.5	174.7	161.1	0	0	0	0	109.9	S65	S65-S67 VanDerWaalsContact C-N 3.34Å; S65-S67 PolarHBondContact O-N 2.84Å
68	S	29.8	Very low	44.4	Very low	109 Å²	109	107.3 Å²	107.3	76%	0.762	60%	0.6	S	S	*	*			trans	-177.3	77.2	152.3	57.6	0	0	0	0	110.7
69	T	32.6	Very low	46.6	Very low	142 Å²	142	104.7 Å²	104.7	87%	0.871	58%	0.584	S	S	*	*			trans	175.5	128.2	142.5	33.7	0	0	0	0	109.4	A71	T69-A71 PolarHBondContact O-N 3.12Å; T69-A71 VanDerWaalsContact O-N 3.09Å
70	V	31.4	Very low	48.9	Very low	158 Å²	158	102.3 Å²	102.3	96%	0.958	57%	0.569	S	S	*	*			trans	-58.2	102.1	174.3	175.8	0	0	0	0	110.4
71	A	31.1	Very low	51.4	Low	83 Å²	83	100.9 Å²	100.9	69%	0.686	56%	0.56	S	S	*	*			trans	-162.2	110.3	157.3	0	0	0	0	0	106.7	T69 N73	T69-A71 PolarHBondContact O-N 3.12Å; T69-A71 VanDerWaalsContact O-N 3.09Å; A71-N73 PolarHBondContact O-N 3.22Å
72	G	30.4	Very low	54.1	Low	62 Å²	62	96 Å²	96	64%	0.639	53%	0.534	S	S	*	.			trans	-56.8	124.4	177.2	0	0	0	0	0	109.7	F74	G72-F74 VanDerWaalsContact C-N 3.27Å; G72-F74 VanDerWaalsContact O-CD2 3.27Å; G72-F74 WeakPolarHBondContact O-CD2 3.47Å; G72-F74 PolarHBondContact O-N 2.82Å
73	N	29.9	Very low	56.6	Low	142 Å²	142	89.1 Å²	89.1	76%	0.759	50%	0.502	S	S	*	.			trans	-65.3	92.7	168.4	-92.5	-20.3	0	0	0	108.2	A71 M75	A71-N73 PolarHBondContact O-N 3.22Å; N73-M75 HydrophobicContact CB-CG 4.27Å; N73-M75 PolarHBondContact O-N 3.26Å
74	F	40.3	Very low	59.2	Low	151 Å²	151	85.1 Å²	85.1	66%	0.662	48%	0.481	S	S	*	.			trans	-65.6	54.6	166.6	-80.7	-88.1	0	0	0	110.8	G72 D76 D77	G72-F74 VanDerWaalsContact C-N 3.27Å; G72-F74 VanDerWaalsContact O-CD2 3.27Å; G72-F74 WeakPolarHBondContact O-CD2 3.47Å; G72-F74 PolarHBondContact O-N 2.82Å; F74-D76 VanDerWaalsContact C-N 3.28Å; F74-D76 PolarHBondContact O-N 3.41Å; F74-D77 WeakPolarHBondContact CB-OD1 3.35Å
75	M	45.8	Very low	61.5	Low	151 Å²	151	79.7 Å²	79.7	74%	0.744	46%	0.455	S	S	*	.			trans	-85.4	5.8	-176.8	-78.2	-171.4	100.7	0	0	114	N73	N73-M75 HydrophobicContact CB-CG 4.27Å; N73-M75 PolarHBondContact O-N 3.26Å
76	D	59	Low	63.6	Low	43 Å²	43	78 Å²	78	23%	0.23	44%	0.439	C	S	.	.			trans	-145.7	81.7	166.2	-128.6	-14.1	0	0	0	109.5	F74 K78 H80 H209 W228	F74-D76 VanDerWaalsContact C-N 3.28Å; F74-D76 PolarHBondContact O-N 3.41Å; D76-K78 PolarHBondContact O-N 2.76Å; D76-K78 VanDerWaalsContact O-N 3.1Å; D76-H80 IonicContact OD1-CD2 3.18Å; D76-H80 IonicContact OD1-NE2 3.07Å; D76-H209 IonicContact OD2-ND1 2.7Å; D76-W228 HydrophobicContact CB-CZ2 4.39Å
77	D	81	Confident	65.9	Low	82 Å²	82	68 Å²	68	44%	0.439	41%	0.407	S	S	.	.			trans	-67.2	-3.4	178.8	-75.8	-24.8	0	0	0	113.2	F74 P140	F74-D77 WeakPolarHBondContact CB-OD1 3.35Å; D77-P140 WeakPolarHBondContact O-CD 3.38Å
78	K	93.9	Very high	68.4	Low	69 Å²	69	68.7 Å²	68.7	30%	0.3	40%	0.4	S	S	.	.	S	Bend	trans	-116.9	142.1	-175.7	-51.9	-164.5	-177.2	-175	0	111.3	D76 P140 V142 E168 W228	D76-K78 PolarHBondContact O-N 2.76Å; D76-K78 VanDerWaalsContact O-N 3.1Å; K78-P140 WeakPolarHBondContact CA-O 3.4Å; K78-P140 HydrophobicContact CD-CB 4.37Å; K78-P140 HydrophobicContact CG-CB 4.06Å; K78-V142 HydrophobicContact CB-CG2 4.09Å; K78-V142 HydrophobicContact CD-CG2 3.52Å; K78-V142 HydrophobicContact CG-CG2 4.44Å; K78-E168 VanDerWaalsContact NZ-CD 3.33Å; K78-E168 IonicContact NZ-OE1 2.63Å; K78-E168 PolarHBondContact NZ-OE1 2.88Å; K78-E168 IonicContact NZ-OE2 3.37Å; K78-E168 PolarHBondContact NZ-OE2 3.18Å; K78-W228 WeakPolarHBondContact O-CZ2 3.3Å
79	V	96.6	Very high	71.1	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	113.9	170.3	177.2	0	0	0	0	108.6	I81 P140 I141 V142 I212 I224 V225 W228	V79-I81 HydrophobicContact CG1-CD1 4.25Å; V79-I81 HydrophobicContact CG1-CG1 4.01Å; V79-P140 PolarHBondContact N-O 2.85Å; V79-I141 HydrophobicContact CB-CG1 4.3Å; V79-I141 WeakPolarHBondContact O-CA 3.32Å; V79-V142 PolarHBondContact O-N 3.4Å; V79-I212 HydrophobicContact CG1-CD1 4.2Å; V79-I224 HydrophobicContact CG1-CG2 4.47Å; V79-V225 HydrophobicContact CG2-CG2 4.08Å; V79-W228 HydrophobicContact CB-CD2 4.25Å; V79-W228 HydrophobicContact CB-CE3 4.27Å; V79-W228 HydrophobicContact CG1-CB 4.29Å; V79-W228 HydrophobicContact CG1-CD2 4.03Å; V79-W228 HydrophobicContact CG1-CE3 3.7Å; V79-W228 HydrophobicContact CG1-CG 4.3Å; V79-W228 HydrophobicContact CG1-CZ3 4.37Å; V79-W228 HydrophobicContact CG2-CB 4.14Å; V79-W228 HydrophobicContact CG2-CD2 4.04Å; V79-W228 HydrophobicContact CG2-CG 3.84Å
80	H	98.4	Very high	73.8	Confident	16 Å²	16	63.6 Å²	63.6	7%	0.074	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	126.2	177.9	-71.3	-91.6	0	0	0	111.1	D76 V142 H144 V208 K210 V211 I212 W228	D76-H80 IonicContact OD1-CD2 3.18Å; D76-H80 IonicContact OD1-NE2 3.07Å; H80-V142 WeakPolarHBondContact CA-O 3.44Å; H80-H144 AromaticContact CE1-NE2 3.8Å; H80-H144 AromaticContact CG-NE2 3.86Å; H80-H144 AromaticContact ND1-CD2 3.82Å; H80-H144 AromaticContact ND1-CE1 3.88Å; H80-H144 AromaticContact ND1-NE2 2.88Å; H80-H144 PolarHBondContact ND1-NE2 3.42Å; H80-V208 HydrophobicContact CB-CG1 4.04Å; H80-K210 WeakPolarHBondContact CB-O 3.36Å; H80-V211 HydrophobicContact CB-CB 4.42Å; H80-V211 HydrophobicContact CB-CG2 4.21Å; H80-I212 PolarHBondContact O-N 2.86Å; H80-W228 HydrophobicContact CB-CH2 3.92Å; H80-W228 HydrophobicContact CB-CZ3 4.02Å; H80-W228 WeakPolarHBondContact O-CZ3 3.1Å
81	I	98.5	Very high	76.8	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	120	-179.1	-53	178.4	0	0	0	109.6	V79 I83 L101 I141 V142 F143 H144 I212 L214 I224	V79-I81 HydrophobicContact CG1-CD1 4.25Å; V79-I81 HydrophobicContact CG1-CG1 4.01Å; I81-I83 HydrophobicContact CG2-CD1 4.21Å; I81-I83 HydrophobicContact CG2-CG1 4.08Å; I81-L101 HydrophobicContact CD1-CD1 3.74Å; I81-I141 HydrophobicContact CD1-CD1 4.31Å; I81-I141 HydrophobicContact CD1-CG2 3.96Å; I81-I141 HydrophobicContact CG1-CG2 4.34Å; I81-V142 PolarHBondContact N-O 3.21Å; I81-F143 HydrophobicContact CB-CD1 3.98Å; I81-F143 HydrophobicContact CB-CE1 4.15Å; I81-F143 HydrophobicContact CD1-CE1 3.93Å; I81-F143 HydrophobicContact CD1-CZ 4.35Å; I81-F143 HydrophobicContact CG2-CD1 4.23Å; I81-F143 HydrophobicContact CG2-CE1 4.24Å; I81-F143 CarbonylContact O-C 3.35Å; I81-F143 WeakPolarHBondContact O-CA 3.44Å; I81-H144 PolarHBondContact O-N 3.1Å; I81-I212 CarbonylContact C-O 3.49Å; I81-I212 VanDerWaalsContact CA-O 3.26Å; I81-I212 WeakPolarHBondContact CA-O 3.29Å; I81-L214 HydrophobicContact CG2-CD1 3.87Å; I81-L214 HydrophobicContact CG2-CG 4.13Å; I81-I224 HydrophobicContact CD1-CG1 3.94Å; I81-I224 HydrophobicContact CD1-CG2 4.42Å
82	A	98.5	Very high	79.6	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	134.2	173.4	0	0	0	0	0	111.3	H144 L200 V211 I212 V213 L214	A82-H144 VanDerWaalsContact CA-O 3.29Å; A82-H144 WeakPolarHBondContact CA-O 3.3Å; A82-H144 HydrophobicContact CB-CB 4.29Å; A82-L200 HydrophobicContact CB-CD1 4Å; A82-L200 HydrophobicContact CB-CD2 3.95Å; A82-V211 HydrophobicContact CB-CG2 3.66Å; A82-I212 PolarHBondContact N-O 3.23Å; A82-V213 HydrophobicContact CB-CG2 4.44Å; A82-V213 WeakPolarHBondContact O-CA 3.43Å; A82-L214 PolarHBondContact O-N 3.01Å; A82-L214 VanDerWaalsContact O-N 3.08Å
83	I	97.5	Very high	82.6	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	131	-178.4	-63.5	171.9	0	0	0	108.6	I81 M94 L97 F143 H144 I145 L146 L216	I81-I83 HydrophobicContact CG2-CD1 4.21Å; I81-I83 HydrophobicContact CG2-CG1 4.08Å; I83-M94 HydrophobicContact CD1-CE 3.87Å; I83-M94 HydrophobicContact CD1-SD 3.88Å; I83-M94 HydrophobicContact CG2-SD 4.1Å; I83-L97 HydrophobicContact CD1-CD2 3.72Å; I83-F143 HydrophobicContact CD1-CD1 3.93Å; I83-F143 HydrophobicContact CD1-CE1 4.14Å; I83-H144 PolarHBondContact N-O 2.65Å; I83-I145 HydrophobicContact CB-CD1 4.16Å; I83-L146 PolarHBondContact O-N 3.22Å; I83-L216 HydrophobicContact CG2-CD2 3.32Å; I83-L216 HydrophobicContact CG2-CG 3.65Å
84	L	95	Very high	85.8	Confident	35 Å²	35	49.6 Å²	49.6	18%	0.183	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	117.7	170.5	178	65.4	0	0	0	109.5	L146 K193 L216	L84-L146 HydrophobicContact CB-CB 4.49Å; L84-L146 HydrophobicContact CD1-CB 3.84Å; L84-K193 HydrophobicContact CD2-CB 4.35Å; L84-K193 WeakPolarHBondContact CD2-O 3.44Å; L84-L216 VanDerWaalsContact O-CD1 3.3Å; L84-L216 WeakPolarHBondContact O-CD1 3.49Å
85	I	93.1	Very high	88.4	Confident	6 Å²	6	43.6 Å²	43.6	3%	0.031	21%	0.212	C	C	.	.			trans	-113.1	134	174.5	-169.9	157.2	0	0	0	111.2	L91 M94 I145 L146 L155 L216	I85-L91 HydrophobicContact CD1-CD2 3.66Å; I85-L91 HydrophobicContact CD1-CG 4.28Å; I85-M94 HydrophobicContact CD1-CB 4.35Å; I85-I145 HydrophobicContact CB-CG2 4.39Å; I85-I145 HydrophobicContact CG2-CG2 3.39Å; I85-L146 PolarHBondContact N-O 3.32Å; I85-L155 HydrophobicContact CD1-CD1 4.25Å; I85-L155 HydrophobicContact CG2-CD1 4.33Å; I85-L155 HydrophobicContact CG2-CD2 4.1Å; I85-L216 HydrophobicContact CB-CD1 3.87Å; I85-L216 HydrophobicContact CD1-CD1 4.2Å; I85-L216 HydrophobicContact CG1-CD1 3.75Å
86	D	84.8	Confident	90.7	Very high	61 Å²	61	36.4 Å²	36.4	33%	0.326	18%	0.177	S	C	.	.			trans	-143	129.2	175	-175.4	33.8	0	0	0	109.9	N148 K193	D86-N148 PolarHBondContact OD1-ND2 3.37Å; D86-K193 WeakPolarHBondContact OD2-CD 3.41Å; D86-K193 WeakPolarHBondContact OD2-CE 3.36Å; D86-K193 IonicContact OD2-NZ 3.03Å; D86-K193 PolarHBondContact OD2-NZ 2.86Å
87	G	84.1	Confident	92.5	Very high	20 Å²	20	34.4 Å²	34.4	21%	0.206	17%	0.166	C	C	.	.	S	Bend	trans	76.9	160.4	-179.8	0	0	0	0	0	114.9	R89 G90 F151	G87-R89 VanDerWaalsContact C-N 3.28Å; G87-R89 PolarHBondContact O-N 3.04Å; G87-G90 PolarHBondContact O-N 3.48Å; G87-F151 VanDerWaalsContact CA-CE1 3.49Å
88	E	84.3	Confident	93.3	Very high	112 Å²	112	30.5 Å²	30.5	52%	0.523	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-32.6	178.2	-64.8	-172.2	150.8	0	0	112.9	G90 L91 F151 N154	E88-G90 PolarHBondContact O-N 3.33Å; E88-L91 WeakPolarHBondContact O-CB 3.02Å; E88-L91 PolarHBondContact O-N 2.91Å; E88-F151 HydrophobicContact CG-CD1 4.2Å; E88-F151 HydrophobicContact CG-CE1 4.16Å; E88-N154 PolarHBondContact OE1-ND2 3.02Å
89	R	86.3	Confident	93.4	Very high	139 Å²	139	27.7 Å²	27.7	53%	0.525	13%	0.133	S	C	.	.	H	α-helix	trans	-58.8	-31.1	177	-170.3	179.9	-73.3	-162.2	-7.8	111.8	G87 L91 F92 Y93 D375	G87-R89 VanDerWaalsContact C-N 3.28Å; G87-R89 PolarHBondContact O-N 3.04Å; R89-L91 PolarHBondContact O-N 2.79Å; R89-F92 PolarHBondContact O-N 3.12Å; R89-Y93 WeakPolarHBondContact CD-OH 3.37Å; R89-Y93 HydrophobicContact CG-CE2 3.83Å; R89-D375 IonicContact CZ-OD1 3.64Å; R89-D375 IonicContact NH1-OD1 3.89Å; R89-D375 PolarHBondContact NH1-OD1 3.36Å; R89-D375 IonicContact NH2-OD1 2.68Å
90	G	90.6	Very high	93.4	Very high	5 Å²	5	27.7 Å²	27.7	5%	0.052	13%	0.133	C	C	.	.	H	α-helix	trans	-59.4	-27.7	174.9	0	0	0	0	0	113.5	G87 E88 Y93 M94	G87-G90 PolarHBondContact O-N 3.48Å; E88-G90 PolarHBondContact O-N 3.33Å; G90-Y93 PolarHBondContact O-N 3.04Å; G90-M94 VanDerWaalsContact O-CB 3.32Å; G90-M94 WeakPolarHBondContact O-CB 3.25Å; G90-M94 PolarHBondContact O-N 3.42Å
91	L	92.6	Very high	93.3	Very high	33 Å²	33	27 Å²	27	17%	0.173	13%	0.13	C	C	.	.	H	α-helix	trans	-69	-32.9	179	-62.4	174	0	0	0	112.6	I85 E88 R89 M94 D95 N154 L155 F158	I85-L91 HydrophobicContact CD1-CD2 3.66Å; I85-L91 HydrophobicContact CD1-CG 4.28Å; E88-L91 WeakPolarHBondContact O-CB 3.02Å; E88-L91 PolarHBondContact O-N 2.91Å; R89-L91 PolarHBondContact O-N 2.79Å; L91-M94 PolarHBondContact O-N 2.83Å; L91-D95 WeakPolarHBondContact O-CB 3.24Å; L91-D95 PolarHBondContact O-N 3.1Å; L91-N154 HydrophobicContact CD1-CB 4.34Å; L91-L155 HydrophobicContact CD2-CD1 4.01Å; L91-F158 HydrophobicContact CB-CD2 4.35Å; L91-F158 HydrophobicContact CD2-CB 3.93Å; L91-F158 HydrophobicContact CD2-CD1 3.97Å; L91-F158 HydrophobicContact CD2-CD2 4.15Å; L91-F158 HydrophobicContact CD2-CG 3.74Å
92	F	91.3	Very high	93.2	Very high	95 Å²	95	27 Å²	27	42%	0.417	13%	0.13	S	C	.	.	H	α-helix	trans	-66.7	-39.7	174.9	-67.7	-67.8	0	0	0	111.9	R89 S96 E374	R89-F92 PolarHBondContact O-N 3.12Å; F92-S96 PolarHBondContact O-N 3.27Å; F92-S96 PolarHBondContact O-OG 3.41Å; F92-S96 VanDerWaalsContact O-OG 3.12Å; F92-E374 HydrophobicContact CB-CG 3.89Å; F92-E374 HydrophobicContact CG-CG 4.26Å
93	Y	93.9	Very high	92.9	Very high	22 Å²	22	27.5 Å²	27.5	9%	0.086	13%	0.131	C	C	.	.	H	α-helix	trans	-71.9	-41.1	176.6	-54.7	-40.1	0	0	0	111.3	R89 G90 D95 S96 L97 L216 K372 E374	R89-Y93 WeakPolarHBondContact CD-OH 3.37Å; R89-Y93 HydrophobicContact CG-CE2 3.83Å; G90-Y93 PolarHBondContact O-N 3.04Å; Y93-D95 VanDerWaalsContact C-N 3.33Å; Y93-D95 PolarHBondContact O-N 2.8Å; Y93-S96 PolarHBondContact O-N 2.63Å; Y93-L97 VanDerWaalsContact O-CB 3.29Å; Y93-L97 WeakPolarHBondContact O-CB 3.2Å; Y93-L97 PolarHBondContact O-N 3.08Å; Y93-L216 WeakPolarHBondContact CB-O 3.47Å; Y93-K372 HydrophobicContact CE1-CB 4.15Å; Y93-K372 WeakPolarHBondContact OH-CB 3.29Å; Y93-E374 HydrophobicContact CE1-CB 4.38Å; Y93-E374 HydrophobicContact CE1-CG 3.91Å
94	M	95.2	Very high	92.7	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-57.1	-44.9	172.4	-170.7	74.5	-175.7	0	0	111.5	I83 I85 G90 L91 S96 L97 L98 I145 F158 L216	I83-M94 HydrophobicContact CD1-CE 3.87Å; I83-M94 HydrophobicContact CD1-SD 3.88Å; I83-M94 HydrophobicContact CG2-SD 4.1Å; I85-M94 HydrophobicContact CD1-CB 4.35Å; G90-M94 VanDerWaalsContact O-CB 3.32Å; G90-M94 WeakPolarHBondContact O-CB 3.25Å; G90-M94 PolarHBondContact O-N 3.42Å; L91-M94 PolarHBondContact O-N 2.83Å; M94-S96 PolarHBondContact O-N 3Å; M94-L97 PolarHBondContact O-N 3.07Å; M94-L98 HydrophobicContact CE-CD1 4.07Å; M94-L98 HydrophobicContact CE-CD2 4.02Å; M94-L98 HydrophobicContact CE-CG 4.09Å; M94-L98 HydrophobicContact CG-CD1 4.22Å; M94-L98 HydrophobicContact CG-CG 4.4Å; M94-L98 WeakPolarHBondContact O-CB 3.37Å; M94-L98 VanDerWaalsContact O-CG 3.27Å; M94-L98 WeakPolarHBondContact O-CG 3.4Å; M94-L98 PolarHBondContact O-N 2.72Å; M94-I145 HydrophobicContact CE-CD1 3.57Å; M94-F158 HydrophobicContact CB-CE1 4.12Å; M94-F158 HydrophobicContact CB-CZ 4.06Å; M94-F158 HydrophobicContact CG-CD1 4.47Å; M94-F158 HydrophobicContact CG-CE1 3.49Å; M94-F158 VanDerWaalsContact CG-CE1 3.49Å; M94-F158 HydrophobicContact CG-CZ 3.85Å; M94-L216 HydrophobicContact CB-CD2 3.82Å; M94-L216 HydrophobicContact CG-CD2 4.29Å; M94-L216 HydrophobicContact SD-CD2 3.53Å; M94-L216 VanDerWaalsContact SD-CD2 3.53Å
95	D	95.6	Very high	92.5	Very high	25 Å²	25	28.3 Å²	28.3	13%	0.134	13%	0.133	C	C	.	.	H	α-helix	trans	-58.7	-48.2	177.6	-170.1	67	0	0	0	111.7	L91 Y93 L98 K99 F158 W162	L91-D95 WeakPolarHBondContact O-CB 3.24Å; L91-D95 PolarHBondContact O-N 3.1Å; Y93-D95 VanDerWaalsContact C-N 3.33Å; Y93-D95 PolarHBondContact O-N 2.8Å; D95-L98 PolarHBondContact O-N 3.02Å; D95-K99 WeakPolarHBondContact O-CB 3.32Å; D95-K99 VanDerWaalsContact O-CG 3.26Å; D95-K99 WeakPolarHBondContact O-CG 3.5Å; D95-K99 PolarHBondContact O-N 3.12Å; D95-K99 WeakPolarHBondContact OD2-CE 2.99Å; D95-K99 IonicContact OD2-NZ 2.93Å; D95-K99 PolarHBondContact OD2-NZ 3.44Å; D95-F158 HydrophobicContact CB-CE2 4Å; D95-F158 HydrophobicContact CB-CZ 4.11Å; D95-W162 VanDerWaalsContact OD1-CZ2 3.26Å; D95-W162 WeakPolarHBondContact OD1-CZ2 3.45Å; D95-W162 PolarHBondContact OD1-NE1 3.47Å
96	S	95.1	Very high	92.2	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.007	15%	0.149	C	C	.	.	H	α-helix	trans	-66.9	-39.1	179.5	-56.5	0	0	0	0	112.2	F92 Y93 M94 S100 Y407	F92-S96 PolarHBondContact O-N 3.27Å; F92-S96 PolarHBondContact O-OG 3.41Å; F92-S96 VanDerWaalsContact O-OG 3.12Å; Y93-S96 PolarHBondContact O-N 2.63Å; M94-S96 PolarHBondContact O-N 3Å; S96-S100 PolarHBondContact O-N 3.28Å; S96-S100 PolarHBondContact O-OG 3.41Å; S96-Y407 VanDerWaalsContact CB-CE2 3.48Å; S96-Y407 WeakPolarHBondContact OG-CE2 3.17Å; S96-Y407 VanDerWaalsContact OG-CZ 3.29Å; S96-Y407 PolarHBondContact OG-OH 3.01Å
97	L	96.8	Very high	92.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.1	-52.1	174.2	175.7	61.9	0	0	0	110.7	I83 Y93 M94 K99 S100 L101 M218 L220	I83-L97 HydrophobicContact CD1-CD2 3.72Å; Y93-L97 VanDerWaalsContact O-CB 3.29Å; Y93-L97 WeakPolarHBondContact O-CB 3.2Å; Y93-L97 PolarHBondContact O-N 3.08Å; M94-L97 PolarHBondContact O-N 3.07Å; L97-K99 PolarHBondContact O-N 3.43Å; L97-S100 PolarHBondContact O-N 3.39Å; L97-S100 PolarHBondContact O-OG 3.02Å; L97-L101 VanDerWaalsContact O-CB 3.26Å; L97-L101 WeakPolarHBondContact O-CB 3.47Å; L97-L101 PolarHBondContact O-N 3.11Å; L97-M218 HydrophobicContact CD1-CB 4.09Å; L97-L220 HydrophobicContact CD1-CD1 3.34Å
98	L	97.2	Very high	92.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60.2	-45.8	178.5	-71.6	-179.2	0	0	0	111.9	M94 D95 S100 L101 F102 F143 F158 W162	M94-L98 HydrophobicContact CE-CD1 4.07Å; M94-L98 HydrophobicContact CE-CD2 4.02Å; M94-L98 HydrophobicContact CE-CG 4.09Å; M94-L98 HydrophobicContact CG-CD1 4.22Å; M94-L98 HydrophobicContact CG-CG 4.4Å; M94-L98 WeakPolarHBondContact O-CB 3.37Å; M94-L98 VanDerWaalsContact O-CG 3.27Å; M94-L98 WeakPolarHBondContact O-CG 3.4Å; M94-L98 PolarHBondContact O-N 2.72Å; D95-L98 PolarHBondContact O-N 3.02Å; L98-S100 PolarHBondContact O-N 3.08Å; L98-L101 PolarHBondContact O-N 3.15Å; L98-F102 HydrophobicContact CB-CD2 4.12Å; L98-F102 HydrophobicContact CB-CE2 3.82Å; L98-F102 HydrophobicContact CD1-CE2 4.45Å; L98-F102 HydrophobicContact CD2-CE2 3.89Å; L98-F102 HydrophobicContact CD2-CZ 3.85Å; L98-F102 HydrophobicContact CG-CE2 4.26Å; L98-F102 WeakPolarHBondContact O-CB 3.47Å; L98-F102 WeakPolarHBondContact O-CD2 3.42Å; L98-F102 VanDerWaalsContact O-CG 3.28Å; L98-F102 WeakPolarHBondContact O-CG 3.18Å; L98-F102 PolarHBondContact O-N 2.8Å; L98-F143 HydrophobicContact CD2-CE1 3.83Å; L98-F143 HydrophobicContact CD2-CE2 3.86Å; L98-F143 HydrophobicContact CD2-CZ 3.43Å; L98-F143 VanDerWaalsContact CD2-CZ 3.43Å; L98-F158 HydrophobicContact CD1-CE1 3.88Å; L98-F158 HydrophobicContact CD1-CZ 4.1Å; L98-W162 HydrophobicContact CB-CD2 4.45Å; L98-W162 HydrophobicContact CB-CH2 4.41Å; L98-W162 HydrophobicContact CB-CZ2 4.28Å; L98-W162 HydrophobicContact CD1-CB 4.18Å; L98-W162 HydrophobicContact CD1-CD2 3.86Å; L98-W162 HydrophobicContact CD1-CG 3.72Å
99	K	96.5	Very high	93.1	Very high	11 Å²	11	25 Å²	25	5%	0.048	11%	0.108	C	C	.	.	H	α-helix	trans	-58.6	-48.3	177.1	-75.1	174.7	173.4	169.5	0	112.2	D95 L97 Y103 W162 F410 R411 I413 F418	D95-K99 WeakPolarHBondContact O-CB 3.32Å; D95-K99 VanDerWaalsContact O-CG 3.26Å; D95-K99 WeakPolarHBondContact O-CG 3.5Å; D95-K99 PolarHBondContact O-N 3.12Å; D95-K99 WeakPolarHBondContact OD2-CE 2.99Å; D95-K99 IonicContact OD2-NZ 2.93Å; D95-K99 PolarHBondContact OD2-NZ 3.44Å; L97-K99 PolarHBondContact O-N 3.43Å; K99-Y103 WeakPolarHBondContact O-CB 3.46Å; K99-Y103 PolarHBondContact O-N 2.94Å; K99-W162 HydrophobicContact CD-CZ2 4.45Å; K99-W162 HydrophobicContact CG-CH2 3.54Å; K99-W162 HydrophobicContact CG-CZ2 3.72Å; K99-F410 HydrophobicContact CB-CB 4.34Å; K99-F410 HydrophobicContact CB-CD1 4.07Å; K99-F410 HydrophobicContact CB-CG 4.5Å; K99-F410 VanDerWaalsContact CD-O 3.23Å; K99-F410 WeakPolarHBondContact CD-O 3.38Å; K99-R411 PolarHBondContact NZ-O 3.33Å; K99-I413 WeakPolarHBondContact CE-O 3.35Å; K99-I413 PolarHBondContact NZ-O 3.12Å; K99-F418 HydrophobicContact CB-CE2 4.31Å; K99-F418 HydrophobicContact CB-CZ 3.82Å; K99-F418 HydrophobicContact CD-CE2 4.45Å; K99-F418 HydrophobicContact CG-CE2 3.75Å; K99-F418 HydrophobicContact CG-CZ 3.79Å; K99-F418 WeakPolarHBondContact O-CE1 3.49Å
100	S	96.2	Very high	93	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.1	-44.5	177.7	71.4	0	0	0	0	111.2	S96 L97 L98 Y103 Y104 L220	S96-S100 PolarHBondContact O-N 3.28Å; S96-S100 PolarHBondContact O-OG 3.41Å; L97-S100 PolarHBondContact O-N 3.39Å; L97-S100 PolarHBondContact O-OG 3.02Å; L98-S100 PolarHBondContact O-N 3.08Å; S100-Y103 PolarHBondContact O-N 3.17Å; S100-Y104 WeakPolarHBondContact O-CD2 3.41Å; S100-Y104 PolarHBondContact O-N 3.25Å; S100-L220 PolarHBondContact OG-N 3.47Å; S100-L220 VanDerWaalsContact OG-N 3.12Å
101	L	96.8	Very high	92.6	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-61.4	-51.1	179.3	-173.2	155.4	0	0	0	112.2	I81 L97 L98 Y103 Y104 Q105 I141 F143 L220 I224	I81-L101 HydrophobicContact CD1-CD1 3.74Å; L97-L101 VanDerWaalsContact O-CB 3.26Å; L97-L101 WeakPolarHBondContact O-CB 3.47Å; L97-L101 PolarHBondContact O-N 3.11Å; L98-L101 PolarHBondContact O-N 3.15Å; L101-Y103 PolarHBondContact O-N 3.08Å; L101-Y104 PolarHBondContact O-N 3.18Å; L101-Q105 HydrophobicContact CD2-CG 4.14Å; L101-Q105 PolarHBondContact O-N 2.96Å; L101-I141 HydrophobicContact CD2-CD1 3.51Å; L101-F143 HydrophobicContact CD1-CE1 4.23Å; L101-F143 HydrophobicContact CD1-CZ 4.05Å; L101-F143 HydrophobicContact CD2-CZ 4.29Å; L101-L220 HydrophobicContact CB-CD1 4.35Å; L101-L220 HydrophobicContact CB-CD2 4.04Å; L101-L220 HydrophobicContact CD1-CD2 4.17Å; L101-L220 HydrophobicContact CG-CD2 3.97Å; L101-I224 HydrophobicContact CD1-CB 4.44Å; L101-I224 HydrophobicContact CD1-CG2 4.34Å; L101-I224 HydrophobicContact CD2-CG2 4.43Å; L101-I224 HydrophobicContact CG-CB 4.5Å; L101-I224 HydrophobicContact CG-CG2 4.25Å
102	F	95.4	Very high	92.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-68.3	-35.4	-178.1	-65	-35.9	0	0	0	112.3	L98 Y104 Q105 K106 R107 F143 W162 L164 V167 F418	L98-F102 HydrophobicContact CB-CD2 4.12Å; L98-F102 HydrophobicContact CB-CE2 3.82Å; L98-F102 HydrophobicContact CD1-CE2 4.45Å; L98-F102 HydrophobicContact CD2-CE2 3.89Å; L98-F102 HydrophobicContact CD2-CZ 3.85Å; L98-F102 HydrophobicContact CG-CE2 4.26Å; L98-F102 WeakPolarHBondContact O-CB 3.47Å; L98-F102 WeakPolarHBondContact O-CD2 3.42Å; L98-F102 VanDerWaalsContact O-CG 3.28Å; L98-F102 WeakPolarHBondContact O-CG 3.18Å; L98-F102 PolarHBondContact O-N 2.8Å; F102-Y104 VanDerWaalsContact C-N 3.32Å; F102-Y104 PolarHBondContact O-N 3.4Å; F102-Q105 CarbonylContact O-C 3.48Å; F102-Q105 PolarHBondContact O-N 3.47Å; F102-Q105 VanDerWaalsContact O-N 3.17Å; F102-K106 PolarHBondContact O-N 2.91Å; F102-R107 HydrophobicContact CB-CB 3.98Å; F102-R107 WeakPolarHBondContact O-CB 3.28Å; F102-R107 PolarHBondContact O-N 3.35Å; F102-F143 AromaticContact CE1-CE2 4Å; F102-F143 HydrophobicContact CE1-CE2 4Å; F102-F143 HydrophobicContact CE1-CZ 4.25Å; F102-F143 AromaticContact CZ-CE2 3.82Å; F102-F143 HydrophobicContact CZ-CE2 3.82Å; F102-F143 HydrophobicContact CZ-CZ 4.21Å; F102-W162 AromaticContact CD2-CE3 3.85Å; F102-W162 HydrophobicContact CD2-CE3 3.85Å; F102-W162 HydrophobicContact CD2-CH2 4.3Å; F102-W162 AromaticContact CD2-CZ3 3.48Å; F102-W162 HydrophobicContact CD2-CZ3 3.48Å; F102-W162 VanDerWaalsContact CD2-CZ3 3.48Å; F102-W162 HydrophobicContact CE2-CD2 4.44Å; F102-W162 AromaticContact CE2-CE3 3.56Å; F102-W162 HydrophobicContact CE2-CE3 3.56Å; F102-W162 AromaticContact CE2-CZ3 3.72Å; F102-W162 HydrophobicContact CE2-CZ3 3.72Å; F102-L164 HydrophobicContact CD1-CD1 4.45Å; F102-L164 HydrophobicContact CD2-CD1 3.77Å; F102-L164 HydrophobicContact CE1-CD1 4.49Å; F102-L164 HydrophobicContact CE2-CD1 3.81Å; F102-L164 HydrophobicContact CG-CD1 4.1Å; F102-L164 HydrophobicContact CZ-CD1 4.19Å; F102-V167 HydrophobicContact CE1-CG1 4.3Å; F102-V167 HydrophobicContact CE1-CG2 3.94Å; F102-V167 HydrophobicContact CZ-CG1 4.02Å; F102-V167 HydrophobicContact CZ-CG2 4.26Å; F102-F418 HydrophobicContact CB-CD1 3.69Å; F102-F418 HydrophobicContact CB-CE1 4.11Å
103	Y	93.5	Very high	91.9	Very high	10 Å²	10	34 Å²	34	4%	0.039	16%	0.156	C	C	.	.	H	α-helix	trans	-56.2	-46.9	171.4	176	-94.5	0	0	0	111.6	K99 S100 L101 Q105 K106 F108 L120 K123 F124 F410	K99-Y103 WeakPolarHBondContact O-CB 3.46Å; K99-Y103 PolarHBondContact O-N 2.94Å; S100-Y103 PolarHBondContact O-N 3.17Å; L101-Y103 PolarHBondContact O-N 3.08Å; Y103-Q105 VanDerWaalsContact C-N 3.35Å; Y103-K106 PolarHBondContact O-N 2.82Å; Y103-K106 VanDerWaalsContact O-N 3.12Å; Y103-F108 HydrophobicContact CD2-CB 4.1Å; Y103-F108 AromaticContact CD2-CD1 4Å; Y103-F108 HydrophobicContact CD2-CD1 4Å; Y103-F108 HydrophobicContact CD2-CD2 4.26Å; Y103-F108 HydrophobicContact CD2-CE1 4.47Å; Y103-F108 AromaticContact CD2-CG 3.86Å; Y103-F108 HydrophobicContact CD2-CG 3.86Å; Y103-F108 HydrophobicContact CE2-CD1 4.06Å; Y103-F108 HydrophobicContact CE2-CE1 4.31Å; Y103-F108 HydrophobicContact CE2-CG 4.4Å; Y103-L120 HydrophobicContact CE2-CB 4.24Å; Y103-L120 HydrophobicContact CE2-CD2 4.19Å; Y103-L120 PolarHBondContact OH-O 2.96Å; Y103-K123 HydrophobicContact CE1-CD 4.09Å; Y103-K123 WeakPolarHBondContact OH-CD 3.44Å; Y103-F124 HydrophobicContact CD2-CE2 4.49Å; Y103-F124 AromaticContact CE2-CE2 3.75Å; Y103-F124 HydrophobicContact CE2-CE2 3.75Å; Y103-F124 HydrophobicContact CE2-CZ 4.47Å; Y103-F410 HydrophobicContact CD1-CE1 4.2Å; Y103-F410 HydrophobicContact CD1-CZ 4.11Å; Y103-F410 HydrophobicContact CD2-CE1 4.43Å; Y103-F410 AromaticContact CG-CE1 3.89Å; Y103-F410 HydrophobicContact CG-CE1 3.89Å; Y103-F410 HydrophobicContact CG-CZ 4.27Å
104	Y	92.5	Very high	91.6	Very high	45 Å²	45	38.6 Å²	38.6	18%	0.176	18%	0.182	C	C	.	.	H	α-helix	trans	-78.2	-16.5	178.7	-73.8	-77.3	0	0	0	114.4	S100 L101 F102 K106 L220 N221 T222 N223 F410	S100-Y104 WeakPolarHBondContact O-CD2 3.41Å; S100-Y104 PolarHBondContact O-N 3.25Å; L101-Y104 PolarHBondContact O-N 3.18Å; F102-Y104 VanDerWaalsContact C-N 3.32Å; F102-Y104 PolarHBondContact O-N 3.4Å; Y104-K106 PolarHBondContact O-N 3.5Å; Y104-L220 HydrophobicContact CD2-CB 4.5Å; Y104-L220 WeakPolarHBondContact CD2-O 3.36Å; Y104-L220 WeakPolarHBondContact CE2-O 3.38Å; Y104-N221 WeakPolarHBondContact CE1-O 3.43Å; Y104-N221 VanDerWaalsContact CE2-CA 3.4Å; Y104-N221 VanDerWaalsContact CZ-CA 3.45Å; Y104-N221 VanDerWaalsContact CZ-O 3.29Å; Y104-T222 VanDerWaalsContact CB-O 3.28Å; Y104-T222 WeakPolarHBondContact CB-O 3.36Å; Y104-N223 WeakPolarHBondContact O-CB 3.48Å; Y104-N223 PolarHBondContact O-ND2 3.21Å; Y104-F410 HydrophobicContact CE2-CZ 4.24Å
105	Q	90.3	Very high	91.4	Very high	8 Å²	8	38.6 Å²	38.6	4%	0.037	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	3.3	164.6	-77.9	-150.6	-53.1	0	0	114	L101 F102 Y103 R107 Y139 I141	L101-Q105 HydrophobicContact CD2-CG 4.14Å; L101-Q105 PolarHBondContact O-N 2.96Å; F102-Q105 CarbonylContact O-C 3.48Å; F102-Q105 PolarHBondContact O-N 3.47Å; F102-Q105 VanDerWaalsContact O-N 3.17Å; Y103-Q105 VanDerWaalsContact C-N 3.35Å; Q105-R107 HydrophobicContact CB-CG 4.07Å; Q105-R107 PolarHBondContact O-N 2.97Å; Q105-Y139 PolarHBondContact NE2-O 2.83Å; Q105-I141 HydrophobicContact CG-CD1 4.32Å
106	K	87.8	Confident	90.9	Very high	86 Å²	86	39.3 Å²	39.3	37%	0.374	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	27.5	-175.6	-52.5	-177.4	176.4	-176.1	0	113.7	F102 Y103 Y104 F108	F102-K106 PolarHBondContact O-N 2.91Å; Y103-K106 PolarHBondContact O-N 2.82Å; Y103-K106 VanDerWaalsContact O-N 3.12Å; Y104-K106 PolarHBondContact O-N 3.5Å; K106-F108 PolarHBondContact O-N 3.09Å
107	R	90.9	Very high	90.2	Very high	6 Å²	6	41.4 Å²	41.4	2%	0.023	20%	0.199	C	C	.	.			trans	-90	30.7	176	-71.2	179.4	174	-84.1	9.5	112.1	F102 Q105 P165 N166 F418 Q419	F102-R107 HydrophobicContact CB-CB 3.98Å; F102-R107 WeakPolarHBondContact O-CB 3.28Å; F102-R107 PolarHBondContact O-N 3.35Å; Q105-R107 HydrophobicContact CB-CG 4.07Å; Q105-R107 PolarHBondContact O-N 2.97Å; R107-P165 VanDerWaalsContact CZ-O 3.3Å; R107-P165 PolarHBondContact NH1-O 2.88Å; R107-P165 PolarHBondContact NH2-O 3.12Å; R107-N166 PolarHBondContact NH2-O 2.94Å; R107-F418 CarbonylContact O-C 3.46Å; R107-F418 WeakPolarHBondContact O-CA 3.1Å; R107-F418 WeakPolarHBondContact O-CB 3.5Å; R107-F418 WeakPolarHBondContact O-CD1 3.48Å; R107-Q419 WeakPolarHBondContact CB-O 3.48Å; R107-Q419 WeakPolarHBondContact CG-O 3.47Å; R107-Q419 PolarHBondContact NH1-O 2.94Å; R107-Q419 PolarHBondContact O-N 3.16Å
108	F	90.8	Very high	89.5	Confident	1 Å²	1	48.8 Å²	48.8	0%	0.004	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-121.1	132.1	-171.1	178.1	-102.7	0	0	0	110.2	Y103 K106 F110 C115 F124 I413 C417 F418	Y103-F108 HydrophobicContact CD2-CB 4.1Å; Y103-F108 AromaticContact CD2-CD1 4Å; Y103-F108 HydrophobicContact CD2-CD1 4Å; Y103-F108 HydrophobicContact CD2-CD2 4.26Å; Y103-F108 HydrophobicContact CD2-CE1 4.47Å; Y103-F108 AromaticContact CD2-CG 3.86Å; Y103-F108 HydrophobicContact CD2-CG 3.86Å; Y103-F108 HydrophobicContact CE2-CD1 4.06Å; Y103-F108 HydrophobicContact CE2-CE1 4.31Å; Y103-F108 HydrophobicContact CE2-CG 4.4Å; K106-F108 PolarHBondContact O-N 3.09Å; F108-F110 HydrophobicContact CD1-CB 4.38Å; F108-F110 PolarHBondContact O-N 2.91Å; F108-C115 HydrophobicContact CE2-CB 4.21Å; F108-C115 HydrophobicContact CZ-CB 3.95Å; F108-C115 WeakPolarHBondContact CZ-O 3.31Å; F108-F124 HydrophobicContact CD1-CE2 4.11Å; F108-I413 HydrophobicContact CE2-CD1 4.23Å; F108-I413 HydrophobicContact CE2-CG2 3.81Å; F108-C417 CarbonylContact C-O 3.56Å; F108-C417 WeakPolarHBondContact CA-O 3.3Å; F108-C417 HydrophobicContact CD2-CB 4.12Å; F108-C417 WeakPolarHBondContact CD2-O 3.31Å; F108-C417 HydrophobicContact CE2-CB 3.76Å; F108-F418 HydrophobicContact CB-CD1 4.45Å; F108-F418 HydrophobicContact CB-CE1 4.46Å; F108-F418 HydrophobicContact CD2-CD1 4.24Å; F108-F418 AromaticContact CD2-CE1 3.87Å; F108-F418 HydrophobicContact CD2-CE1 3.87Å; F108-F418 HydrophobicContact CD2-CZ 4.02Å; F108-F418 HydrophobicContact CE2-CZ 4.48Å
109	H	89.1	Confident	88.6	Confident	35 Å²	35	51.7 Å²	51.7	16%	0.162	24%	0.244	C	C	.	.			trans	-76.5	86.9	177.7	-76.9	-66.8	0	0	0	111.2	D111 L112 C115 C417 Q419	H109-D111 VanDerWaalsContact C-N 3.26Å; H109-D111 IonicContact CG-OD1 2.6Å; H109-D111 IonicContact ND1-OD1 3.5Å; H109-D111 PolarHBondContact ND1-OD1 3.33Å; H109-L112 HydrophobicContact CB-CB 4.15Å; H109-L112 HydrophobicContact CB-CD1 3.63Å; H109-L112 HydrophobicContact CB-CG 3.8Å; H109-C115 VanDerWaalsContact O-CB 3.23Å; H109-C115 WeakPolarHBondContact O-CB 3.39Å; H109-C417 PolarHBondContact N-O 3.28Å; H109-Q419 PolarHBondContact CE1-OE1 3.34Å; H109-Q419 WeakPolarHBondContact NE2-CB 3.39Å
110	F	85	Confident	87.8	Confident	94 Å²	94	51.8 Å²	51.8	41%	0.412	25%	0.245	S	C	.	.	S	Bend	trans	-77	-13.9	174.8	63	-92.2	0	0	0	113.1	F108 C116 F124	F108-F110 HydrophobicContact CD1-CB 4.38Å; F108-F110 PolarHBondContact O-N 2.91Å; F110-C116 PolarHBondContact O-SG 2.92Å; F110-F124 HydrophobicContact CB-CB 3.69Å; F110-F124 HydrophobicContact CB-CD1 4.38Å; F110-F124 HydrophobicContact CB-CD2 3.79Å; F110-F124 HydrophobicContact CB-CG 3.71Å; F110-F124 HydrophobicContact CD1-CB 4.2Å; F110-F124 AromaticContact CD1-CD1 3.74Å; F110-F124 HydrophobicContact CD1-CD1 3.74Å; F110-F124 HydrophobicContact CD1-CE1 4.23Å; F110-F124 AromaticContact CD1-CG 3.94Å; F110-F124 HydrophobicContact CD1-CG 3.94Å; F110-F124 HydrophobicContact CD2-CB 3.86Å; F110-F124 HydrophobicContact CD2-CG 4.47Å; F110-F124 HydrophobicContact CE1-CD1 4.25Å; F110-F124 HydrophobicContact CG-CB 3.64Å; F110-F124 HydrophobicContact CG-CD1 4.07Å; F110-F124 HydrophobicContact CG-CD2 4.35Å; F110-F124 AromaticContact CG-CG 3.78Å; F110-F124 HydrophobicContact CG-CG 3.78Å
111	D	82.5	Confident	87.2	Confident	107 Å²	107	52 Å²	52	57%	0.572	25%	0.246	S	C	*	.	S	Bend	trans	-80.3	-21.5	177.4	60.2	-52.3	0	0	0	112.7	H109	H109-D111 VanDerWaalsContact C-N 3.26Å; H109-D111 IonicContact CG-OD1 2.6Å; H109-D111 IonicContact ND1-OD1 3.5Å; H109-D111 PolarHBondContact ND1-OD1 3.33Å
112	L	85.9	Confident	86.2	Confident	65 Å²	65	56.2 Å²	56.2	34%	0.34	27%	0.269	S	S	.	.			trans	-86.5	114.5	179.5	-62.8	-176.9	0	0	0	111	H109 N114 C115 C116	H109-L112 HydrophobicContact CB-CB 4.15Å; H109-L112 HydrophobicContact CB-CD1 3.63Å; H109-L112 HydrophobicContact CB-CG 3.8Å; L112-N114 VanDerWaalsContact C-N 3.25Å; L112-N114 WeakPolarHBondContact CB-OD1 3.21Å; L112-N114 PolarHBondContact O-N 3.36Å; L112-N114 VanDerWaalsContact O-N 3.17Å; L112-C115 HydrophobicContact CB-CB 4.1Å; L112-C115 WeakPolarHBondContact O-CB 3.24Å; L112-C115 PolarHBondContact O-N 3.01Å; L112-C116 PolarHBondContact O-N 2.99Å
113	K	83.2	Confident	85.1	Confident	197 Å²	197	58.4 Å²	58.4	86%	0.857	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-35.1	-177.1	-70.7	-174	178.7	-179.1	0	114.2	C115	K113-C115 VanDerWaalsContact C-N 3.27Å; K113-C115 PolarHBondContact O-N 3.47Å
114	N	87.7	Confident	83.9	Confident	117 Å²	117	60.1 Å²	60.1	63%	0.626	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-21.5	177.9	61.2	-42	0	0	0	112.9	L112	L112-N114 VanDerWaalsContact C-N 3.25Å; L112-N114 WeakPolarHBondContact CB-OD1 3.21Å; L112-N114 PolarHBondContact O-N 3.36Å; L112-N114 VanDerWaalsContact O-N 3.17Å
115	C	89.7	Confident	82.4	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.007	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-31.6	176.6	-64	0	0	0	0	112.1	F108 H109 L112 K113 I117 C417	F108-C115 HydrophobicContact CE2-CB 4.21Å; F108-C115 HydrophobicContact CZ-CB 3.95Å; F108-C115 WeakPolarHBondContact CZ-O 3.31Å; H109-C115 VanDerWaalsContact O-CB 3.23Å; H109-C115 WeakPolarHBondContact O-CB 3.39Å; L112-C115 HydrophobicContact CB-CB 4.1Å; L112-C115 WeakPolarHBondContact O-CB 3.24Å; L112-C115 PolarHBondContact O-N 3.01Å; K113-C115 VanDerWaalsContact C-N 3.27Å; K113-C115 PolarHBondContact O-N 3.47Å; C115-I117 PolarHBondContact O-N 3Å; C115-C417 WeakPolarHBondContact CA-SG 3.46Å; C115-C417 HydrophobicContact CB-CB 3.59Å; C115-C417 WeakPolarHBondContact CB-SG 3.34Å; C115-C417 WeakPolarHBondContact SG-CA 3.46Å; C115-C417 WeakPolarHBondContact SG-CB 3.23Å; C115-C417 CovalentContact SG-SG 2.03Å; C115-C417 PolarHBondContact SG-SG 3.41Å
116	C	85.5	Confident	80.8	Confident	41 Å²	41	66.6 Å²	66.6	28%	0.277	32%	0.324	S	S	.	.			trans	-72.4	60	175.2	-64.1	0	0	0	0	113.5	F110 L112 C121	F110-C116 PolarHBondContact O-SG 2.92Å; L112-C116 PolarHBondContact O-N 2.99Å; C116-C121 WeakPolarHBondContact CA-SG 3.26Å; C116-C121 HydrophobicContact CB-CB 3.65Å; C116-C121 WeakPolarHBondContact CB-SG 3.43Å; C116-C121 WeakPolarHBondContact SG-CB 3.11Å; C116-C121 CovalentContact SG-SG 2.02Å; C116-C121 PolarHBondContact SG-SG 2.94Å
117	I	81.3	Confident	79.1	Confident	44 Å²	44	70.4 Å²	70.4	23%	0.226	35%	0.348	C	S	.	.			trans	-78.6	143.4	169.1	63.2	174.4	0	0	0	110.1	C115 D119 L120 A412 I413	C115-I117 PolarHBondContact O-N 3Å; I117-D119 PolarHBondContact O-N 3.09Å; I117-L120 HydrophobicContact CG1-CD1 3.81Å; I117-L120 WeakPolarHBondContact O-CG 3.15Å; I117-L120 PolarHBondContact O-N 3.36Å; I117-A412 HydrophobicContact CD1-CB 3.73Å; I117-I413 HydrophobicContact CD1-CB 4.42Å; I117-I413 HydrophobicContact CD1-CG1 3.71Å; I117-I413 HydrophobicContact CG1-CG1 4.15Å
118	Y	81.3	Confident	77	Confident	156 Å²	156	72.2 Å²	72.2	61%	0.612	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	-132.7	-178.9	-47.7	-71.1	0	0	0	112.3	K409 A412	Y118-K409 HydrophobicContact CD2-CB 4.14Å; Y118-K409 HydrophobicContact CD2-CD 4.43Å; Y118-K409 HydrophobicContact CD2-CG 3.63Å; Y118-K409 HydrophobicContact CE2-CB 4.39Å; Y118-K409 HydrophobicContact CE2-CG 4Å; Y118-K409 HydrophobicContact CG-CD 4.48Å; Y118-K409 HydrophobicContact CG-CG 4.04Å; Y118-A412 HydrophobicContact CE2-CB 4.32Å
119	D	78.4	Confident	74.9	Confident	61 Å²	61	76.3 Å²	76.3	33%	0.326	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	11.7	-178.1	56.5	-13.3	0	0	0	112.4	I117 C121 D122 K409	I117-D119 PolarHBondContact O-N 3.09Å; D119-C121 VanDerWaalsContact C-N 3.28Å; D119-C121 PolarHBondContact O-N 3.08Å; D119-D122 WeakPolarHBondContact CB-OD2 3.17Å; D119-D122 WeakPolarHBondContact O-CB 3.22Å; D119-D122 PolarHBondContact O-N 2.82Å; D119-K409 WeakPolarHBondContact OD1-CE 3.31Å; D119-K409 IonicContact OD1-NZ 2.85Å; D119-K409 PolarHBondContact OD1-NZ 2.8Å; D119-K409 IonicContact OD2-NZ 3.94Å; D119-K409 PolarHBondContact OD2-NZ 2.83Å
120	L	80.8	Confident	72.8	Confident	13 Å²	13	84.1 Å²	84.1	7%	0.068	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-32.7	-173.4	-70.7	171.9	0	0	0	113.2	Y103 I117 I413	Y103-L120 HydrophobicContact CE2-CB 4.24Å; Y103-L120 HydrophobicContact CE2-CD2 4.19Å; Y103-L120 PolarHBondContact OH-O 2.96Å; I117-L120 HydrophobicContact CG1-CD1 3.81Å; I117-L120 WeakPolarHBondContact O-CG 3.15Å; I117-L120 PolarHBondContact O-N 3.36Å; L120-I413 HydrophobicContact CD1-CD1 3.34Å; L120-I413 HydrophobicContact CD1-CG1 3.72Å
121	C	82.3	Confident	71	Confident	4 Å²	4	84.6 Å²	84.6	3%	0.027	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-9.5	179	-69.8	0	0	0	0	113.9	C116 D119 K123 F124 N125	C116-C121 WeakPolarHBondContact CA-SG 3.26Å; C116-C121 HydrophobicContact CB-CB 3.65Å; C116-C121 WeakPolarHBondContact CB-SG 3.43Å; C116-C121 WeakPolarHBondContact SG-CB 3.11Å; C116-C121 CovalentContact SG-SG 2.02Å; C116-C121 PolarHBondContact SG-SG 2.94Å; D119-C121 VanDerWaalsContact C-N 3.28Å; D119-C121 PolarHBondContact O-N 3.08Å; C121-K123 PolarHBondContact O-N 3.01Å; C121-F124 PolarHBondContact O-N 3.21Å; C121-N125 PolarHBondContact O-N 2.75Å; C121-N125 PolarHBondContact O-ND2 3.48Å
122	D	75.6	Confident	69.2	Low	90 Å²	90	86.9 Å²	86.9	48%	0.481	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-25.7	175.8	-67.1	-7.7	0	0	0	111.5	D119 F124	D119-D122 WeakPolarHBondContact CB-OD2 3.17Å; D119-D122 WeakPolarHBondContact O-CB 3.22Å; D119-D122 PolarHBondContact O-N 2.82Å; D122-F124 VanDerWaalsContact C-N 3.31Å; D122-F124 PolarHBondContact O-N 2.84Å
123	K	72	Confident	67	Low	45 Å²	45	91.1 Å²	91.1	20%	0.196	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-24.7	174	-175.2	170.8	-177.2	-167.3	0	114.1	Y103 C121	Y103-K123 HydrophobicContact CE1-CD 4.09Å; Y103-K123 WeakPolarHBondContact OH-CD 3.44Å; C121-K123 PolarHBondContact O-N 3.01Å
124	F	70.1	Confident	65	Low	46 Å²	46	90.3 Å²	90.3	20%	0.202	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-19.6	-174.2	-62.1	-84.2	0	0	0	113.5	Y103 F108 F110 C121 D122 D126	Y103-F124 HydrophobicContact CD2-CE2 4.49Å; Y103-F124 AromaticContact CE2-CE2 3.75Å; Y103-F124 HydrophobicContact CE2-CE2 3.75Å; Y103-F124 HydrophobicContact CE2-CZ 4.47Å; F108-F124 HydrophobicContact CD1-CE2 4.11Å; F110-F124 HydrophobicContact CB-CB 3.69Å; F110-F124 HydrophobicContact CB-CD1 4.38Å; F110-F124 HydrophobicContact CB-CD2 3.79Å; F110-F124 HydrophobicContact CB-CG 3.71Å; F110-F124 HydrophobicContact CD1-CB 4.2Å; F110-F124 AromaticContact CD1-CD1 3.74Å; F110-F124 HydrophobicContact CD1-CD1 3.74Å; F110-F124 HydrophobicContact CD1-CE1 4.23Å; F110-F124 AromaticContact CD1-CG 3.94Å; F110-F124 HydrophobicContact CD1-CG 3.94Å; F110-F124 HydrophobicContact CD2-CB 3.86Å; F110-F124 HydrophobicContact CD2-CG 4.47Å; F110-F124 HydrophobicContact CE1-CD1 4.25Å; F110-F124 HydrophobicContact CG-CB 3.64Å; F110-F124 HydrophobicContact CG-CD1 4.07Å; F110-F124 HydrophobicContact CG-CD2 4.35Å; F110-F124 AromaticContact CG-CG 3.78Å; F110-F124 HydrophobicContact CG-CG 3.78Å; C121-F124 PolarHBondContact O-N 3.21Å; D122-F124 VanDerWaalsContact C-N 3.31Å; D122-F124 PolarHBondContact O-N 2.84Å; F124-D126 PolarHBondContact O-N 2.83Å; F124-D126 VanDerWaalsContact O-N 3.07Å
125	N	61	Low	62.9	Low	109 Å²	109	94 Å²	94	58%	0.583	46%	0.458	S	S	*	.			trans	-74.5	10	-170.8	-80.6	-20.5	0	0	0	116.4	C121	C121-N125 PolarHBondContact O-N 2.75Å; C121-N125 PolarHBondContact O-ND2 3.48Å
126	D	55.5	Low	61.2	Low	80 Å²	80	97.3 Å²	97.3	43%	0.428	48%	0.475	S	S	.	.			trans	-122.2	109.8	-178.6	-144.2	-39.5	0	0	0	112.3	F124 S128 R351	F124-D126 PolarHBondContact O-N 2.83Å; F124-D126 VanDerWaalsContact O-N 3.07Å; D126-S128 PolarHBondContact O-N 2.74Å; D126-R351 IonicContact OD1-NH2 3.68Å; D126-R351 IonicContact OD2-CZ 3.96Å; D126-R351 IonicContact OD2-NH1 3.9Å; D126-R351 PolarHBondContact OD2-NH1 3.22Å; D126-R351 IonicContact OD2-NH2 3.51Å; D126-R351 PolarHBondContact OD2-NH2 2.96Å
127	N	51.9	Low	60.2	Low	166 Å²	166	100.6 Å²	100.6	89%	0.888	49%	0.486	S	S	*	.			trans	-63.3	17.2	177.4	-70.6	-22.7	0	0	0	113.8	S129	N127-S129 PolarHBondContact O-N 3.19Å; N127-S129 VanDerWaalsContact O-N 3.12Å
128	S	48.2	Very low	59.9	Low	45 Å²	45	102.2 Å²	102.2	32%	0.315	50%	0.495	S	S	.	.			trans	-67.7	113.1	172.1	64.9	0	0	0	0	108.9	D126 Y130	D126-S128 PolarHBondContact O-N 2.74Å; S128-Y130 PolarHBondContact O-N 3.02Å
129	S	45.4	Very low	60.2	Low	87 Å²	87	97.5 Å²	97.5	61%	0.608	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	1.8	179.5	52.9	0	0	0	0	117.1	N127 Y131 E132	N127-S129 PolarHBondContact O-N 3.19Å; N127-S129 VanDerWaalsContact O-N 3.12Å; S129-Y131 PolarHBondContact O-N 2.93Å; S129-E132 PolarHBondContact O-N 3.43Å
130	Y	46.3	Very low	60.9	Low	199 Å²	199	95.7 Å²	95.7	78%	0.78	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-15.1	175.2	-146.3	-99	0	0	0	113.4	S128	S128-Y130 PolarHBondContact O-N 3.02Å
131	Y	46.5	Very low	61.7	Low	104 Å²	104	95 Å²	95	41%	0.408	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-12.2	175.3	-87	-74.3	0	0	0	114.7	S129	S129-Y131 PolarHBondContact O-N 2.93Å
132	E	43.7	Very low	62.4	Low	154 Å²	154	95 Å²	95	72%	0.72	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-27.7	179.5	-73.2	-173.7	152.4	0	0	112.5	S129 R134	S129-E132 PolarHBondContact O-N 3.43Å; E132-R134 VanDerWaalsContact C-N 3.3Å; E132-R134 PolarHBondContact O-N 3.07Å
133	D	39.7	Very low	63.5	Low	154 Å²	154	90.7 Å²	90.7	82%	0.824	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	7.6	-174.2	-154.8	25.1	0	0	0	114.8
134	R	42.5	Very low	64.7	Low	181 Å²	181	88.7 Å²	88.7	68%	0.683	43%	0.432	S	S	*	.			trans	-121	85.4	153.7	-81.8	-164.2	-89.6	-165.7	-8.7	107.3	E132 L136	E132-R134 VanDerWaalsContact C-N 3.3Å; E132-R134 PolarHBondContact O-N 3.07Å; R134-L136 HydrophobicContact CB-CB 4.44Å; R134-L136 HydrophobicContact CB-CD1 3.44Å; R134-L136 VanDerWaalsContact CB-CD1 3.44Å; R134-L136 HydrophobicContact CB-CG 3.71Å; R134-L136 HydrophobicContact CG-CD1 4.23Å; R134-L136 HydrophobicContact CG-CG 4.38Å; R134-L136 PolarHBondContact O-N 3.34Å
135	M	43.3	Very low	65.9	Low	194 Å²	194	86.5 Å²	86.5	96%	0.956	42%	0.422	S	S	*	.			trans	-56.1	71.4	145.9	-78.9	-149.3	165	0	0	107.9	H137	M135-H137 PolarHBondContact O-N 2.74Å
136	L	53.8	Low	67.6	Low	71 Å²	71	81.3 Å²	81.3	37%	0.372	39%	0.394	S	S	.	.			trans	-69.6	102.3	-176.8	-101.4	138.5	0	0	0	105.3	R134 I138	R134-L136 HydrophobicContact CB-CB 4.44Å; R134-L136 HydrophobicContact CB-CD1 3.44Å; R134-L136 VanDerWaalsContact CB-CD1 3.44Å; R134-L136 HydrophobicContact CB-CG 3.71Å; R134-L136 HydrophobicContact CG-CD1 4.23Å; R134-L136 HydrophobicContact CG-CG 4.38Å; R134-L136 PolarHBondContact O-N 3.34Å; L136-I138 PolarHBondContact O-N 3.28Å; L136-I138 VanDerWaalsContact O-N 3.08Å
137	H	64	Low	69.3	Low	109 Å²	109	77.7 Å²	77.7	51%	0.505	38%	0.375	S	S	.	.			trans	-33.3	115.5	167.9	-167.4	27.7	0	0	0	109.9	M135 Y139	M135-H137 PolarHBondContact O-N 2.74Å; H137-Y139 VanDerWaalsContact C-N 3.29Å; H137-Y139 HydrophobicContact CB-CE2 4.28Å; H137-Y139 WeakPolarHBondContact O-CD2 3.18Å; H137-Y139 WeakPolarHBondContact O-CE2 3.35Å; H137-Y139 PolarHBondContact O-N 3.29Å
138	I	76	Confident	70.9	Confident	79 Å²	79	70.9 Å²	70.9	41%	0.405	34%	0.339	S	S	.	.			trans	-69.7	97.7	171.9	-61.6	175.9	0	0	0	105.5	L136 P140	L136-I138 PolarHBondContact O-N 3.28Å; L136-I138 VanDerWaalsContact O-N 3.08Å; I138-P140 WeakPolarHBondContact O-CD 3.45Å
139	Y	86.5	Confident	72	Confident	57 Å²	57	71.2 Å²	71.2	22%	0.224	34%	0.341	C	S	.	.			trans	-61.8	123.7	177.2	-71.5	-92	0	0	0	109	Q105 H137 I141 V225	Q105-Y139 PolarHBondContact NE2-O 2.83Å; H137-Y139 VanDerWaalsContact C-N 3.29Å; H137-Y139 HydrophobicContact CB-CE2 4.28Å; H137-Y139 WeakPolarHBondContact O-CD2 3.18Å; H137-Y139 WeakPolarHBondContact O-CE2 3.35Å; H137-Y139 PolarHBondContact O-N 3.29Å; Y139-I141 PolarHBondContact O-N 3.36Å; Y139-V225 HydrophobicContact CD2-CB 4.28Å; Y139-V225 HydrophobicContact CD2-CG1 3.8Å; Y139-V225 HydrophobicContact CD2-CG2 3.5Å; Y139-V225 HydrophobicContact CE2-CG1 3.69Å; Y139-V225 HydrophobicContact CE2-CG2 4.26Å; Y139-V225 HydrophobicContact CG-CG1 4.4Å; Y139-V225 HydrophobicContact CG-CG2 3.83Å
140	P	94.3	Very high	73.5	Confident	22 Å²	22	75.7 Å²	75.7	14%	0.143	35%	0.35	C	S	.	.			trans	-54.7	138.4	170.1	-23	31.7	0	0	0	110.6	D77 K78 V79 I138 N166	D77-P140 WeakPolarHBondContact O-CD 3.38Å; K78-P140 WeakPolarHBondContact CA-O 3.4Å; K78-P140 HydrophobicContact CD-CB 4.37Å; K78-P140 HydrophobicContact CG-CB 4.06Å; V79-P140 PolarHBondContact N-O 2.85Å; I138-P140 WeakPolarHBondContact O-CD 3.45Å; P140-N166 CarbonylContact C-O 3.55Å; P140-N166 WeakPolarHBondContact CA-O 3.06Å; P140-N166 HydrophobicContact CB-CB 4.1Å; P140-N166 HydrophobicContact CG-CB 4.24Å
141	I	96.3	Very high	74.9	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	135.8	175.8	-63.1	-166.2	0	0	0	109.7	V79 I81 L101 Q105 Y139 F143 N166 V167 E168 I224	V79-I141 HydrophobicContact CB-CG1 4.3Å; V79-I141 WeakPolarHBondContact O-CA 3.32Å; I81-I141 HydrophobicContact CD1-CD1 4.31Å; I81-I141 HydrophobicContact CD1-CG2 3.96Å; I81-I141 HydrophobicContact CG1-CG2 4.34Å; L101-I141 HydrophobicContact CD2-CD1 3.51Å; Q105-I141 HydrophobicContact CG-CD1 4.32Å; Y139-I141 PolarHBondContact O-N 3.36Å; I141-F143 HydrophobicContact CB-CE2 4.23Å; I141-F143 HydrophobicContact CG2-CD1 4.44Å; I141-F143 HydrophobicContact CG2-CD2 3.66Å; I141-F143 HydrophobicContact CG2-CE1 4.19Å; I141-F143 HydrophobicContact CG2-CE2 3.36Å; I141-F143 HydrophobicContact CG2-CG 4.21Å; I141-F143 HydrophobicContact CG2-CZ 3.66Å; I141-N166 PolarHBondContact N-O 2.6Å; I141-V167 WeakPolarHBondContact O-CA 3.28Å; I141-E168 PolarHBondContact O-N 3.12Å; I141-I224 HydrophobicContact CD1-CG2 3.99Å
142	V	97.7	Very high	76.4	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.012	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	114.2	171	-174.6	0	0	0	0	108.7	K78 V79 H80 I81 E168 Y170	K78-V142 HydrophobicContact CB-CG2 4.09Å; K78-V142 HydrophobicContact CD-CG2 3.52Å; K78-V142 HydrophobicContact CG-CG2 4.44Å; V79-V142 PolarHBondContact O-N 3.4Å; H80-V142 WeakPolarHBondContact CA-O 3.44Å; I81-V142 PolarHBondContact N-O 3.21Å; V142-E168 WeakPolarHBondContact CA-O 3.43Å; V142-E168 HydrophobicContact CG1-CB 4.34Å; V142-E168 HydrophobicContact CG2-CB 4.28Å; V142-Y170 HydrophobicContact CG1-CD2 3.56Å; V142-Y170 HydrophobicContact CG1-CE2 3.64Å
143	F	98.1	Very high	78.4	Confident	0 Å²	0	63 Å²	63	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	126	174.4	-70.4	-81	0	0	0	110.9	I81 I83 L98 L101 F102 I141 I145 V167 E168 Y169 Y170	I81-F143 HydrophobicContact CB-CD1 3.98Å; I81-F143 HydrophobicContact CB-CE1 4.15Å; I81-F143 HydrophobicContact CD1-CE1 3.93Å; I81-F143 HydrophobicContact CD1-CZ 4.35Å; I81-F143 HydrophobicContact CG2-CD1 4.23Å; I81-F143 HydrophobicContact CG2-CE1 4.24Å; I81-F143 CarbonylContact O-C 3.35Å; I81-F143 WeakPolarHBondContact O-CA 3.44Å; I83-F143 HydrophobicContact CD1-CD1 3.93Å; I83-F143 HydrophobicContact CD1-CE1 4.14Å; L98-F143 HydrophobicContact CD2-CE1 3.83Å; L98-F143 HydrophobicContact CD2-CE2 3.86Å; L98-F143 HydrophobicContact CD2-CZ 3.43Å; L98-F143 VanDerWaalsContact CD2-CZ 3.43Å; L101-F143 HydrophobicContact CD1-CE1 4.23Å; L101-F143 HydrophobicContact CD1-CZ 4.05Å; L101-F143 HydrophobicContact CD2-CZ 4.29Å; F102-F143 AromaticContact CE1-CE2 4Å; F102-F143 HydrophobicContact CE1-CE2 4Å; F102-F143 HydrophobicContact CE1-CZ 4.25Å; F102-F143 AromaticContact CZ-CE2 3.82Å; F102-F143 HydrophobicContact CZ-CE2 3.82Å; F102-F143 HydrophobicContact CZ-CZ 4.21Å; I141-F143 HydrophobicContact CB-CE2 4.23Å; I141-F143 HydrophobicContact CG2-CD1 4.44Å; I141-F143 HydrophobicContact CG2-CD2 3.66Å; I141-F143 HydrophobicContact CG2-CE1 4.19Å; I141-F143 HydrophobicContact CG2-CE2 3.36Å; I141-F143 HydrophobicContact CG2-CG 4.21Å; I141-F143 HydrophobicContact CG2-CZ 3.66Å; F143-I145 HydrophobicContact CB-CD1 3.97Å; F143-I145 HydrophobicContact CB-CG1 4.49Å; F143-V167 HydrophobicContact CD2-CG1 3.78Å; F143-V167 HydrophobicContact CE2-CG1 3.71Å; F143-E168 PolarHBondContact N-O 3.28Å; F143-Y169 HydrophobicContact CB-CD1 3.57Å; F143-Y169 HydrophobicContact CB-CE1 4.01Å; F143-Y169 HydrophobicContact CB-CG 4.47Å; F143-Y169 AromaticContact CD2-CD1 3.8Å; F143-Y169 HydrophobicContact CD2-CD1 3.8Å; F143-Y169 AromaticContact CD2-CE1 3.38Å; F143-Y169 HydrophobicContact CD2-CE1 3.38Å; F143-Y169 HydrophobicContact CE2-CE1 4.03Å; F143-Y169 AromaticContact CG-CD1 3.97Å; F143-Y169 HydrophobicContact CG-CD1 3.97Å; F143-Y169 AromaticContact CG-CE1 3.87Å; F143-Y169 HydrophobicContact CG-CE1 3.87Å; F143-Y169 WeakPolarHBondContact O-CA 3.43Å; F143-Y170 PolarHBondContact O-N 3.09Å
144	H	97.9	Very high	80.8	Confident	3 Å²	3	59 Å²	59	1%	0.014	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	100.6	173.2	-61.4	-79.1	0	0	0	109.6	H80 I81 A82 I83 Y170 Y172 L204	H80-H144 AromaticContact CE1-NE2 3.8Å; H80-H144 AromaticContact CG-NE2 3.86Å; H80-H144 AromaticContact ND1-CD2 3.82Å; H80-H144 AromaticContact ND1-CE1 3.88Å; H80-H144 AromaticContact ND1-NE2 2.88Å; H80-H144 PolarHBondContact ND1-NE2 3.42Å; I81-H144 PolarHBondContact O-N 3.1Å; A82-H144 VanDerWaalsContact CA-O 3.29Å; A82-H144 WeakPolarHBondContact CA-O 3.3Å; A82-H144 HydrophobicContact CB-CB 4.29Å; I83-H144 PolarHBondContact N-O 2.65Å; H144-Y170 CarbonylContact C-O 3.56Å; H144-Y170 WeakPolarHBondContact CA-O 3.19Å; H144-Y172 HydrophobicContact CB-CD2 4.36Å; H144-Y172 HydrophobicContact CB-CE2 3.73Å; H144-Y172 AromaticContact CG-CE2 3.98Å; H144-Y172 AromaticContact ND1-CE2 3.44Å; H144-Y172 WeakPolarHBondContact ND1-CE2 3.48Å; H144-Y172 AromaticContact ND1-CZ 3.57Å; H144-Y172 PolarHBondContact ND1-OH 2.8Å; H144-L204 HydrophobicContact CB-CD1 4.46Å; H144-L204 HydrophobicContact CB-CD2 3.7Å
145	I	96.3	Very high	83.2	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	109.5	-174	-49.9	-56	0	0	0	109.8	I83 I85 M94 F143 L155 L159 Y170 S171 Y172	I83-I145 HydrophobicContact CB-CD1 4.16Å; I85-I145 HydrophobicContact CB-CG2 4.39Å; I85-I145 HydrophobicContact CG2-CG2 3.39Å; M94-I145 HydrophobicContact CE-CD1 3.57Å; F143-I145 HydrophobicContact CB-CD1 3.97Å; F143-I145 HydrophobicContact CB-CG1 4.49Å; I145-L155 HydrophobicContact CG2-CD1 4.22Å; I145-L155 HydrophobicContact CG2-CD2 3.82Å; I145-L159 HydrophobicContact CG1-CD1 4.26Å; I145-L159 HydrophobicContact CG1-CD2 4.31Å; I145-Y170 PolarHBondContact N-O 3.25Å; I145-S171 CarbonylContact O-C 3.52Å; I145-S171 WeakPolarHBondContact O-CA 3.23Å; I145-Y172 PolarHBondContact O-N 3.24Å
146	L	95.2	Very high	85.5	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	117.8	173.7	-55.4	173.7	0	0	0	108.1	I83 L84 I85 Y172 V196 L200 I203	I83-L146 PolarHBondContact O-N 3.22Å; L84-L146 HydrophobicContact CB-CB 4.49Å; L84-L146 HydrophobicContact CD1-CB 3.84Å; I85-L146 PolarHBondContact N-O 3.32Å; L146-Y172 HydrophobicContact CD2-CD2 4.33Å; L146-Y172 HydrophobicContact CD2-CG 4.39Å; L146-V196 HydrophobicContact CB-CG1 4.26Å; L146-V196 HydrophobicContact CD1-CG1 3.68Å; L146-V196 HydrophobicContact CD2-CG1 4.33Å; L146-V196 HydrophobicContact CG-CG1 4.3Å; L146-L200 HydrophobicContact CD1-CD2 3.72Å; L146-L200 HydrophobicContact CD1-CG 4.49Å; L146-L200 HydrophobicContact CD2-CD2 4.13Å; L146-L200 HydrophobicContact CG-CD2 4.35Å; L146-I203 HydrophobicContact CD2-CD1 4.22Å; L146-I203 HydrophobicContact CD2-CG2 3.81Å
147	T	92.6	Very high	87.4	Confident	5 Å²	5	46.5 Å²	46.5	3%	0.031	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	161.2	-174.3	-172.9	0	0	0	0	111.7	L155 Y172 E173 C174	T147-L155 HydrophobicContact CG2-CD2 3.73Å; T147-Y172 PolarHBondContact N-O 3.43Å; T147-E173 CarbonylContact O-C 3.55Å; T147-E173 WeakPolarHBondContact O-CA 3.43Å; T147-C174 PolarHBondContact O-N 3.14Å
148	N	83.8	Confident	88.9	Confident	23 Å²	23	42 Å²	42	12%	0.123	22%	0.22	C	C	.	.			trans	-90.4	154.7	165.6	50.7	3.9	0	0	0	111.5	D86 K150 F151 N175	D86-N148 PolarHBondContact OD1-ND2 3.37Å; N148-K150 VanDerWaalsContact C-N 3.26Å; N148-K150 PolarHBondContact O-N 3.08Å; N148-F151 PolarHBondContact O-N 2.9Å; N148-F151 WeakPolarHBondContact OD1-CD2 3.31Å; N148-N175 WeakPolarHBondContact CB-OD1 3.26Å
149	S	73	Confident	89.7	Confident	51 Å²	51	38.9 Å²	38.9	36%	0.357	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-62.1	-28.4	-174.1	61.3	0	0	0	0	115.1	F151 T152 E173 N175	S149-F151 PolarHBondContact O-N 3.03Å; S149-F151 VanDerWaalsContact O-N 3.13Å; S149-T152 WeakPolarHBondContact CA-OG1 3.35Å; S149-T152 PolarHBondContact O-N 3.48Å; S149-T152 PolarHBondContact O-OG1 2.97Å; S149-E173 WeakPolarHBondContact CB-OE1 3.28Å; S149-N175 WeakPolarHBondContact CB-ND2 2.88Å; S149-N175 PolarHBondContact N-ND2 3.28Å; S149-N175 PolarHBondContact OG-ND2 3.26Å
150	K	75.7	Confident	90.1	Very high	181 Å²	181	39.9 Å²	39.9	79%	0.787	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-64.8	-19.2	-174.6	-67.1	-175.8	-179.9	179.9	0	113.1	N148	N148-K150 VanDerWaalsContact C-N 3.26Å; N148-K150 PolarHBondContact O-N 3.08Å
151	F	76.9	Confident	90	Very high	61 Å²	61	42.3 Å²	42.3	27%	0.268	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-112.7	5.5	-173.5	-62.8	-88.7	0	0	0	113.3	G87 E88 N148 S149 S153 N154 L155	G87-F151 VanDerWaalsContact CA-CE1 3.49Å; E88-F151 HydrophobicContact CG-CD1 4.2Å; E88-F151 HydrophobicContact CG-CE1 4.16Å; N148-F151 PolarHBondContact O-N 2.9Å; N148-F151 WeakPolarHBondContact OD1-CD2 3.31Å; S149-F151 PolarHBondContact O-N 3.03Å; S149-F151 VanDerWaalsContact O-N 3.13Å; F151-S153 VanDerWaalsContact C-N 3.33Å; F151-S153 PolarHBondContact O-N 3.02Å; F151-N154 PolarHBondContact O-N 2.79Å; F151-L155 VanDerWaalsContact O-CB 3.29Å; F151-L155 WeakPolarHBondContact O-CB 3.35Å; F151-L155 PolarHBondContact O-N 3.01Å
152	T	78.1	Confident	90	Very high	47 Å²	47	42.5 Å²	42.5	29%	0.288	22%	0.224	S	C	.	.	H	α-helix	trans	-62.4	-35.1	-171.4	-53.2	0	0	0	0	113	S149 T156	S149-T152 WeakPolarHBondContact CA-OG1 3.35Å; S149-T152 PolarHBondContact O-N 3.48Å; S149-T152 PolarHBondContact O-OG1 2.97Å; T152-T156 WeakPolarHBondContact O-CB 3.38Å; T152-T156 PolarHBondContact O-N 3.34Å; T152-T156 PolarHBondContact O-OG1 2.93Å
153	S	85.6	Confident	89.7	Confident	84 Å²	84	49 Å²	49	59%	0.587	25%	0.252	S	S	*	.	H	α-helix	trans	-66.6	-51.1	-179.7	56.7	0	0	0	0	112.6	F151 L155 T156 H157	F151-S153 VanDerWaalsContact C-N 3.33Å; F151-S153 PolarHBondContact O-N 3.02Å; S153-L155 VanDerWaalsContact C-N 3.35Å; S153-T156 PolarHBondContact O-N 3.32Å; S153-H157 PolarHBondContact O-N 3.21Å
154	N	89.8	Confident	89.5	Confident	69 Å²	69	50.1 Å²	50.1	37%	0.369	26%	0.258	S	S	.	.	H	α-helix	trans	-67.5	-40.1	-178.5	-67.3	9.1	0	0	0	110.3	E88 L91 F151 H157 F158	E88-N154 PolarHBondContact OE1-ND2 3.02Å; L91-N154 HydrophobicContact CD1-CB 4.34Å; F151-N154 PolarHBondContact O-N 2.79Å; N154-H157 PolarHBondContact O-N 3.18Å; N154-F158 WeakPolarHBondContact O-CB 3.47Å; N154-F158 PolarHBondContact O-N 3.01Å
155	L	92.5	Very high	89.2	Confident	4 Å²	4	54.1 Å²	54.1	2%	0.021	28%	0.284	C	S	.	.	H	α-helix	trans	-61.2	-47.5	172.8	179.1	63.4	0	0	0	111.5	I85 L91 I145 T147 F151 S153 H157 F158 L159	I85-L155 HydrophobicContact CD1-CD1 4.25Å; I85-L155 HydrophobicContact CG2-CD1 4.33Å; I85-L155 HydrophobicContact CG2-CD2 4.1Å; L91-L155 HydrophobicContact CD2-CD1 4.01Å; I145-L155 HydrophobicContact CG2-CD1 4.22Å; I145-L155 HydrophobicContact CG2-CD2 3.82Å; T147-L155 HydrophobicContact CG2-CD2 3.73Å; F151-L155 VanDerWaalsContact O-CB 3.29Å; F151-L155 WeakPolarHBondContact O-CB 3.35Å; F151-L155 PolarHBondContact O-N 3.01Å; S153-L155 VanDerWaalsContact C-N 3.35Å; L155-H157 VanDerWaalsContact C-N 3.31Å; L155-H157 PolarHBondContact O-N 3.27Å; L155-F158 CarbonylContact O-C 3.6Å; L155-F158 WeakPolarHBondContact O-CB 3.08Å; L155-F158 PolarHBondContact O-N 3.22Å; L155-F158 VanDerWaalsContact O-N 3.13Å; L155-L159 HydrophobicContact CD1-CD1 3.98Å; L155-L159 HydrophobicContact CD1-CD2 4.2Å; L155-L159 HydrophobicContact CD1-CG 3.89Å; L155-L159 HydrophobicContact CD2-CD1 4.42Å; L155-L159 HydrophobicContact CG-CD1 3.86Å; L155-L159 HydrophobicContact CG-CG 4.15Å; L155-L159 VanDerWaalsContact O-CG 3.29Å; L155-L159 WeakPolarHBondContact O-CG 3.33Å; L155-L159 PolarHBondContact O-N 2.96Å
156	T	92.2	Very high	89.1	Confident	59 Å²	59	58.8 Å²	58.8	36%	0.362	31%	0.309	S	S	.	.	H	α-helix	trans	-60.6	-42.4	179.5	-61.8	0	0	0	0	111.3	T152 S153 L159 N160	T152-T156 WeakPolarHBondContact O-CB 3.38Å; T152-T156 PolarHBondContact O-N 3.34Å; T152-T156 PolarHBondContact O-OG1 2.93Å; S153-T156 PolarHBondContact O-N 3.32Å; T156-L159 PolarHBondContact O-N 3.28Å; T156-N160 VanDerWaalsContact O-CB 3.32Å; T156-N160 WeakPolarHBondContact O-CB 3.49Å; T156-N160 VanDerWaalsContact O-CG 3.25Å; T156-N160 PolarHBondContact O-N 3.36Å; T156-N160 PolarHBondContact O-ND2 2.95Å; T156-N160 VanDerWaalsContact O-ND2 3.13Å
157	H	93.2	Very high	89.1	Confident	120 Å²	120	59.5 Å²	59.5	56%	0.556	31%	0.314	S	S	*	.	H	α-helix	trans	-60.4	-47.2	173.7	-179.5	71.3	0	0	0	111.5	S153 N154 L155 L159 N160 M161	S153-H157 PolarHBondContact O-N 3.21Å; N154-H157 PolarHBondContact O-N 3.18Å; L155-H157 VanDerWaalsContact C-N 3.31Å; L155-H157 PolarHBondContact O-N 3.27Å; H157-L159 PolarHBondContact O-N 3.02Å; H157-N160 PolarHBondContact O-N 2.79Å; H157-M161 WeakPolarHBondContact O-CB 3.27Å; H157-M161 WeakPolarHBondContact O-CG 3.32Å; H157-M161 PolarHBondContact O-N 3.19Å
158	F	94.4	Very high	89.2	Confident	15 Å²	15	62.3 Å²	62.3	7%	0.066	33%	0.326	C	S	.	.	H	α-helix	trans	-59.6	-44.7	176.7	177.9	-87.9	0	0	0	113.3	L91 M94 D95 L98 N154 L155 M161 W162	L91-F158 HydrophobicContact CB-CD2 4.35Å; L91-F158 HydrophobicContact CD2-CB 3.93Å; L91-F158 HydrophobicContact CD2-CD1 3.97Å; L91-F158 HydrophobicContact CD2-CD2 4.15Å; L91-F158 HydrophobicContact CD2-CG 3.74Å; M94-F158 HydrophobicContact CB-CE1 4.12Å; M94-F158 HydrophobicContact CB-CZ 4.06Å; M94-F158 HydrophobicContact CG-CD1 4.47Å; M94-F158 HydrophobicContact CG-CE1 3.49Å; M94-F158 VanDerWaalsContact CG-CE1 3.49Å; M94-F158 HydrophobicContact CG-CZ 3.85Å; D95-F158 HydrophobicContact CB-CE2 4Å; D95-F158 HydrophobicContact CB-CZ 4.11Å; L98-F158 HydrophobicContact CD1-CE1 3.88Å; L98-F158 HydrophobicContact CD1-CZ 4.1Å; N154-F158 WeakPolarHBondContact O-CB 3.47Å; N154-F158 PolarHBondContact O-N 3.01Å; L155-F158 CarbonylContact O-C 3.6Å; L155-F158 WeakPolarHBondContact O-CB 3.08Å; L155-F158 PolarHBondContact O-N 3.22Å; L155-F158 VanDerWaalsContact O-N 3.13Å; F158-M161 HydrophobicContact CB-CE 4.47Å; F158-M161 HydrophobicContact CD2-CE 4.39Å; F158-M161 VanDerWaalsContact O-CB 3.24Å; F158-M161 WeakPolarHBondContact O-CB 3.35Å; F158-M161 PolarHBondContact O-N 3.32Å; F158-W162 AromaticContact CE1-CD1 3.62Å; F158-W162 AromaticContact CE2-CD1 3.76Å; F158-W162 AromaticContact CE2-NE1 3.67Å; F158-W162 AromaticContact CZ-CD1 3.4Å; F158-W162 VanDerWaalsContact CZ-CD1 3.4Å; F158-W162 AromaticContact CZ-NE1 3.43Å; F158-W162 PolarHBondContact O-N 2.82Å
159	L	94.4	Very high	89.8	Confident	14 Å²	14	63.2 Å²	63.2	7%	0.073	33%	0.328	C	S	.	.	H	α-helix	trans	-69.5	-36.3	178.9	-63.3	177.6	0	0	0	111.7	I145 L155 T156 H157 M161 W162 K163 Y169	I145-L159 HydrophobicContact CG1-CD1 4.26Å; I145-L159 HydrophobicContact CG1-CD2 4.31Å; L155-L159 HydrophobicContact CD1-CD1 3.98Å; L155-L159 HydrophobicContact CD1-CD2 4.2Å; L155-L159 HydrophobicContact CD1-CG 3.89Å; L155-L159 HydrophobicContact CD2-CD1 4.42Å; L155-L159 HydrophobicContact CG-CD1 3.86Å; L155-L159 HydrophobicContact CG-CG 4.15Å; L155-L159 VanDerWaalsContact O-CG 3.29Å; L155-L159 WeakPolarHBondContact O-CG 3.33Å; L155-L159 PolarHBondContact O-N 2.96Å; T156-L159 PolarHBondContact O-N 3.28Å; H157-L159 PolarHBondContact O-N 3.02Å; L159-M161 VanDerWaalsContact C-N 3.27Å; L159-M161 PolarHBondContact O-N 3.48Å; L159-W162 CarbonylContact O-C 3.45Å; L159-W162 PolarHBondContact O-N 2.9Å; L159-K163 PolarHBondContact O-N 2.89Å; L159-Y169 HydrophobicContact CB-CG 4.43Å; L159-Y169 HydrophobicContact CD2-CD1 3.61Å; L159-Y169 HydrophobicContact CD2-CE1 4Å; L159-Y169 HydrophobicContact CD2-CG 4.12Å
160	N	93.2	Very high	90.9	Very high	78 Å²	78	66.3 Å²	66.3	42%	0.417	33%	0.333	S	S	.	.	H	α-helix	trans	-63.2	-37.2	173.5	-80.2	-34.6	0	0	0	112.2	T156 H157 W162 K163	T156-N160 VanDerWaalsContact O-CB 3.32Å; T156-N160 WeakPolarHBondContact O-CB 3.49Å; T156-N160 VanDerWaalsContact O-CG 3.25Å; T156-N160 PolarHBondContact O-N 3.36Å; T156-N160 PolarHBondContact O-ND2 2.95Å; T156-N160 VanDerWaalsContact O-ND2 3.13Å; H157-N160 PolarHBondContact O-N 2.79Å; N160-W162 VanDerWaalsContact C-N 3.27Å; N160-W162 PolarHBondContact O-N 2.73Å; N160-K163 WeakPolarHBondContact O-CG 3.16Å; N160-K163 PolarHBondContact O-N 3.06Å; N160-K163 WeakPolarHBondContact OD1-CE 3.18Å; N160-K163 PolarHBondContact OD1-NZ 3.07Å
161	M	93.8	Very high	91.8	Very high	73 Å²	73	60.8 Å²	60.8	36%	0.36	32%	0.317	S	S	.	.	H	α-helix	trans	-62.5	-33.2	174.4	-89.5	-158.1	-53.6	0	0	112.4	H157 F158 L159 R415	H157-M161 WeakPolarHBondContact O-CB 3.27Å; H157-M161 WeakPolarHBondContact O-CG 3.32Å; H157-M161 PolarHBondContact O-N 3.19Å; F158-M161 HydrophobicContact CB-CE 4.47Å; F158-M161 HydrophobicContact CD2-CE 4.39Å; F158-M161 VanDerWaalsContact O-CB 3.24Å; F158-M161 WeakPolarHBondContact O-CB 3.35Å; F158-M161 PolarHBondContact O-N 3.32Å; L159-M161 VanDerWaalsContact C-N 3.27Å; L159-M161 PolarHBondContact O-N 3.48Å; M161-R415 WeakPolarHBondContact O-CD 3.46Å; M161-R415 PolarHBondContact O-NE 3.47Å; M161-R415 PolarHBondContact O-NH1 2.98Å; M161-R415 PolarHBondContact SD-NH1 2.94Å
162	W	95.3	Very high	92.6	Very high	3 Å²	3	59.8 Å²	59.8	1%	0.011	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	23	-179.1	-85.8	107.8	0	0	0	114.5	D95 L98 K99 F102 F158 L159 N160 L164 Y169 R415 F418	D95-W162 VanDerWaalsContact OD1-CZ2 3.26Å; D95-W162 WeakPolarHBondContact OD1-CZ2 3.45Å; D95-W162 PolarHBondContact OD1-NE1 3.47Å; L98-W162 HydrophobicContact CB-CD2 4.45Å; L98-W162 HydrophobicContact CB-CH2 4.41Å; L98-W162 HydrophobicContact CB-CZ2 4.28Å; L98-W162 HydrophobicContact CD1-CB 4.18Å; L98-W162 HydrophobicContact CD1-CD2 3.86Å; L98-W162 HydrophobicContact CD1-CG 3.72Å; K99-W162 HydrophobicContact CD-CZ2 4.45Å; K99-W162 HydrophobicContact CG-CH2 3.54Å; K99-W162 HydrophobicContact CG-CZ2 3.72Å; F102-W162 AromaticContact CD2-CE3 3.85Å; F102-W162 HydrophobicContact CD2-CE3 3.85Å; F102-W162 HydrophobicContact CD2-CH2 4.3Å; F102-W162 AromaticContact CD2-CZ3 3.48Å; F102-W162 HydrophobicContact CD2-CZ3 3.48Å; F102-W162 VanDerWaalsContact CD2-CZ3 3.48Å; F102-W162 HydrophobicContact CE2-CD2 4.44Å; F102-W162 AromaticContact CE2-CE3 3.56Å; F102-W162 HydrophobicContact CE2-CE3 3.56Å; F102-W162 AromaticContact CE2-CZ3 3.72Å; F102-W162 HydrophobicContact CE2-CZ3 3.72Å; F158-W162 AromaticContact CE1-CD1 3.62Å; F158-W162 AromaticContact CE2-CD1 3.76Å; F158-W162 AromaticContact CE2-NE1 3.67Å; F158-W162 AromaticContact CZ-CD1 3.4Å; F158-W162 VanDerWaalsContact CZ-CD1 3.4Å; F158-W162 AromaticContact CZ-NE1 3.43Å; F158-W162 PolarHBondContact O-N 2.82Å; L159-W162 CarbonylContact O-C 3.45Å; L159-W162 PolarHBondContact O-N 2.9Å; N160-W162 VanDerWaalsContact C-N 3.27Å; N160-W162 PolarHBondContact O-N 2.73Å; W162-L164 HydrophobicContact CE3-CD1 4.43Å; W162-L164 PolarHBondContact O-N 3.48Å; W162-Y169 VanDerWaalsContact O-CE2 3.3Å; W162-Y169 WeakPolarHBondContact O-CE2 3.41Å; W162-Y169 PolarHBondContact O-OH 3.01Å; W162-R415 HydrophobicContact CD2-CG 4.07Å; W162-R415 HydrophobicContact CE3-CG 4.04Å; W162-R415 HydrophobicContact CH2-CG 3.94Å; W162-R415 HydrophobicContact CZ2-CG 3.97Å; W162-R415 HydrophobicContact CZ3-CG 3.96Å; W162-F418 AromaticContact CH2-CD2 3.91Å; W162-F418 HydrophobicContact CH2-CD2 3.91Å; W162-F418 HydrophobicContact CH2-CE2 4.19Å; W162-F418 HydrophobicContact CH2-CG 4.32Å; W162-F418 HydrophobicContact CZ3-CB 4.18Å; W162-F418 HydrophobicContact CZ3-CD2 4.12Å; W162-F418 HydrophobicContact CZ3-CG 4.13Å
163	K	91.5	Very high	93.3	Very high	140 Å²	140	62.5 Å²	62.5	61%	0.609	32%	0.321	S	S	*	.			trans	-69.5	110.5	174.8	-78.5	179.7	175.2	173.5	0	110.8	L159 N160	L159-K163 PolarHBondContact O-N 2.89Å; N160-K163 WeakPolarHBondContact O-CG 3.16Å; N160-K163 PolarHBondContact O-N 3.06Å; N160-K163 WeakPolarHBondContact OD1-CE 3.18Å; N160-K163 PolarHBondContact OD1-NZ 3.07Å
164	L	93.6	Very high	93.5	Very high	23 Å²	23	58.6 Å²	58.6	12%	0.12	29%	0.294	C	S	.	.			trans	-120.1	148.8	174.1	-59.5	179.8	0	0	0	110.1	F102 W162 N166 V167 F418	F102-L164 HydrophobicContact CD1-CD1 4.45Å; F102-L164 HydrophobicContact CD2-CD1 3.77Å; F102-L164 HydrophobicContact CE1-CD1 4.49Å; F102-L164 HydrophobicContact CE2-CD1 3.81Å; F102-L164 HydrophobicContact CG-CD1 4.1Å; F102-L164 HydrophobicContact CZ-CD1 4.19Å; W162-L164 HydrophobicContact CE3-CD1 4.43Å; W162-L164 PolarHBondContact O-N 3.48Å; L164-N166 PolarHBondContact O-N 3.49Å; L164-V167 HydrophobicContact CB-CB 4.25Å; L164-V167 HydrophobicContact CB-CG2 3.94Å; L164-V167 PolarHBondContact O-N 3.42Å; L164-F418 HydrophobicContact CD1-CB 4.21Å
165	P	92.4	Very high	93.4	Very high	87 Å²	87	57.3 Å²	57.3	57%	0.565	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.2	132.4	167.5	-30.2	30.1	0	0	0	113.7	R107 V167 Q419	R107-P165 VanDerWaalsContact CZ-O 3.3Å; R107-P165 PolarHBondContact NH1-O 2.88Å; R107-P165 PolarHBondContact NH2-O 3.12Å; P165-V167 PolarHBondContact O-N 2.87Å; P165-Q419 VanDerWaalsContact CD-OXT 3.23Å; P165-Q419 WeakPolarHBondContact CD-OXT 3.38Å
166	N	93	Very high	93.1	Very high	98 Å²	98	65.2 Å²	65.2	52%	0.524	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	27	-178.1	-54	-41.9	0	0	0	114.3	R107 P140 I141 L164	R107-N166 PolarHBondContact NH2-O 2.94Å; P140-N166 CarbonylContact C-O 3.55Å; P140-N166 WeakPolarHBondContact CA-O 3.06Å; P140-N166 HydrophobicContact CB-CB 4.1Å; P140-N166 HydrophobicContact CG-CB 4.24Å; I141-N166 PolarHBondContact N-O 2.6Å; L164-N166 PolarHBondContact O-N 3.49Å
167	V	95.6	Very high	93.1	Very high	15 Å²	15	62.8 Å²	62.8	9%	0.091	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	121.3	169.6	-175.3	0	0	0	0	109.2	F102 I141 F143 L164 P165 Y169	F102-V167 HydrophobicContact CE1-CG1 4.3Å; F102-V167 HydrophobicContact CE1-CG2 3.94Å; F102-V167 HydrophobicContact CZ-CG1 4.02Å; F102-V167 HydrophobicContact CZ-CG2 4.26Å; I141-V167 WeakPolarHBondContact O-CA 3.28Å; F143-V167 HydrophobicContact CD2-CG1 3.78Å; F143-V167 HydrophobicContact CE2-CG1 3.71Å; L164-V167 HydrophobicContact CB-CB 4.25Å; L164-V167 HydrophobicContact CB-CG2 3.94Å; L164-V167 PolarHBondContact O-N 3.42Å; P165-V167 PolarHBondContact O-N 2.87Å; V167-Y169 HydrophobicContact CG1-CD2 4.46Å; V167-Y169 HydrophobicContact CG1-CE1 4.26Å; V167-Y169 HydrophobicContact CG1-CE2 3.68Å; V167-Y169 WeakPolarHBondContact CG1-OH 3.36Å
168	E	96.2	Very high	92.9	Very high	64 Å²	64	58.9 Å²	58.9	30%	0.299	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	146.2	-179.7	-66.6	167	-150.1	0	0	110.1	K78 I141 V142 F143 Y170	K78-E168 VanDerWaalsContact NZ-CD 3.33Å; K78-E168 IonicContact NZ-OE1 2.63Å; K78-E168 PolarHBondContact NZ-OE1 2.88Å; K78-E168 IonicContact NZ-OE2 3.37Å; K78-E168 PolarHBondContact NZ-OE2 3.18Å; I141-E168 PolarHBondContact O-N 3.12Å; V142-E168 WeakPolarHBondContact CA-O 3.43Å; V142-E168 HydrophobicContact CG1-CB 4.34Å; V142-E168 HydrophobicContact CG2-CB 4.28Å; F143-E168 PolarHBondContact N-O 3.28Å; E168-Y170 HydrophobicContact CB-CE2 4.17Å
169	Y	96.5	Very high	92.7	Very high	41 Å²	41	62.9 Å²	62.9	16%	0.161	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	130.2	177.6	-57.8	-88.6	0	0	0	110.1	F143 L159 W162 V167	F143-Y169 HydrophobicContact CB-CD1 3.57Å; F143-Y169 HydrophobicContact CB-CE1 4.01Å; F143-Y169 HydrophobicContact CB-CG 4.47Å; F143-Y169 AromaticContact CD2-CD1 3.8Å; F143-Y169 HydrophobicContact CD2-CD1 3.8Å; F143-Y169 AromaticContact CD2-CE1 3.38Å; F143-Y169 HydrophobicContact CD2-CE1 3.38Å; F143-Y169 HydrophobicContact CE2-CE1 4.03Å; F143-Y169 AromaticContact CG-CD1 3.97Å; F143-Y169 HydrophobicContact CG-CD1 3.97Å; F143-Y169 AromaticContact CG-CE1 3.87Å; F143-Y169 HydrophobicContact CG-CE1 3.87Å; F143-Y169 WeakPolarHBondContact O-CA 3.43Å; L159-Y169 HydrophobicContact CB-CG 4.43Å; L159-Y169 HydrophobicContact CD2-CD1 3.61Å; L159-Y169 HydrophobicContact CD2-CE1 4Å; L159-Y169 HydrophobicContact CD2-CG 4.12Å; W162-Y169 VanDerWaalsContact O-CE2 3.3Å; W162-Y169 WeakPolarHBondContact O-CE2 3.41Å; W162-Y169 PolarHBondContact O-OH 3.01Å; V167-Y169 HydrophobicContact CG1-CD2 4.46Å; V167-Y169 HydrophobicContact CG1-CE1 4.26Å; V167-Y169 HydrophobicContact CG1-CE2 3.68Å; V167-Y169 WeakPolarHBondContact CG1-OH 3.36Å
170	Y	95.8	Very high	92.6	Very high	117 Å²	117	67.8 Å²	67.8	46%	0.459	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	124.6	172.7	-65.5	-81.1	0	0	0	109.4	V142 F143 H144 I145 E168 Y172	V142-Y170 HydrophobicContact CG1-CD2 3.56Å; V142-Y170 HydrophobicContact CG1-CE2 3.64Å; F143-Y170 PolarHBondContact O-N 3.09Å; H144-Y170 CarbonylContact C-O 3.56Å; H144-Y170 WeakPolarHBondContact CA-O 3.19Å; I145-Y170 PolarHBondContact N-O 3.25Å; E168-Y170 HydrophobicContact CB-CE2 4.17Å; Y170-Y172 WeakPolarHBondContact O-CE2 3.47Å
171	S	93.9	Very high	92.6	Very high	65 Å²	65	64.2 Å²	64.2	46%	0.455	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	136.5	176.2	58.4	0	0	0	0	111.4	I145	I145-S171 CarbonylContact O-C 3.52Å; I145-S171 WeakPolarHBondContact O-CA 3.23Å
172	Y	93.9	Very high	92.5	Very high	39 Å²	39	67.6 Å²	67.6	15%	0.153	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	120	179.1	-57.1	-95.3	0	0	0	109.8	H144 I145 L146 T147 Y170 C174 I203 L204 P205	H144-Y172 HydrophobicContact CB-CD2 4.36Å; H144-Y172 HydrophobicContact CB-CE2 3.73Å; H144-Y172 AromaticContact CG-CE2 3.98Å; H144-Y172 AromaticContact ND1-CE2 3.44Å; H144-Y172 WeakPolarHBondContact ND1-CE2 3.48Å; H144-Y172 AromaticContact ND1-CZ 3.57Å; H144-Y172 PolarHBondContact ND1-OH 2.8Å; I145-Y172 PolarHBondContact O-N 3.24Å; L146-Y172 HydrophobicContact CD2-CD2 4.33Å; L146-Y172 HydrophobicContact CD2-CG 4.39Å; T147-Y172 PolarHBondContact N-O 3.43Å; Y170-Y172 WeakPolarHBondContact O-CE2 3.47Å; Y172-C174 PolarHBondContact O-N 3.11Å; Y172-C174 PolarHBondContact O-SG 2.87Å; Y172-I203 HydrophobicContact CD1-CG2 3.68Å; Y172-I203 HydrophobicContact CE1-CG2 4.42Å; Y172-I203 HydrophobicContact CG-CG2 3.79Å; Y172-L204 HydrophobicContact CD2-CD2 4.25Å; Y172-L204 HydrophobicContact CE1-CD2 4.2Å; Y172-L204 HydrophobicContact CE2-CD2 3.74Å; Y172-P205 WeakPolarHBondContact OH-CD 3.47Å
173	E	91.8	Very high	92.5	Very high	105 Å²	105	72.6 Å²	72.6	49%	0.491	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	120.1	176.2	-169.7	-175.6	153.2	0	0	110.7	T147 S149 N175	T147-E173 CarbonylContact O-C 3.55Å; T147-E173 WeakPolarHBondContact O-CA 3.43Å; S149-E173 WeakPolarHBondContact CB-OE1 3.28Å; E173-N175 HydrophobicContact CG-CB 4.39Å; E173-N175 PolarHBondContact OE1-ND2 3.5Å
174	C	90.3	Very high	92.7	Very high	2 Å²	2	66.3 Å²	66.3	1%	0.014	31%	0.311	C	S	.	.			trans	-96.5	-6	-171.3	-64.8	0	0	0	0	114.2	T147 Y172 R176 Y177 L178 V196	T147-C174 PolarHBondContact O-N 3.14Å; Y172-C174 PolarHBondContact O-N 3.11Å; Y172-C174 PolarHBondContact O-SG 2.87Å; C174-R176 VanDerWaalsContact C-N 3.34Å; C174-R176 PolarHBondContact O-N 3.03Å; C174-Y177 WeakPolarHBondContact O-CA 3.3Å; C174-Y177 WeakPolarHBondContact O-CB 3.16Å; C174-Y177 PolarHBondContact O-N 3.05Å; C174-L178 HydrophobicContact CB-CG 4.48Å; C174-L178 WeakPolarHBondContact O-CG 3.24Å; C174-L178 PolarHBondContact O-N 3.26Å; C174-V196 HydrophobicContact CB-CG1 4.21Å; C174-V196 HydrophobicContact CB-CG2 4.3Å
175	N	88.4	Confident	92.8	Very high	42 Å²	42	69.1 Å²	69.1	23%	0.225	33%	0.329	C	S	.	.	H	α-helix	trans	-53.1	-48.4	-175.2	-69.3	-27.6	0	0	0	112.6	N148 S149 E173 Y177 L178 D179	N148-N175 WeakPolarHBondContact CB-OD1 3.26Å; S149-N175 WeakPolarHBondContact CB-ND2 2.88Å; S149-N175 PolarHBondContact N-ND2 3.28Å; S149-N175 PolarHBondContact OG-ND2 3.26Å; E173-N175 HydrophobicContact CG-CB 4.39Å; E173-N175 PolarHBondContact OE1-ND2 3.5Å; N175-Y177 PolarHBondContact O-N 3.03Å; N175-Y177 VanDerWaalsContact O-N 3.13Å; N175-L178 PolarHBondContact O-N 2.86Å; N175-L178 VanDerWaalsContact O-N 3.1Å; N175-D179 PolarHBondContact O-N 3.48Å
176	R	86.3	Confident	92.8	Very high	170 Å²	170	66 Å²	66	64%	0.642	31%	0.309	S	S	*	.	H	α-helix	trans	-58.9	-28	178.2	70.5	179.9	-174.5	-178.1	-0.9	114	C174	C174-R176 VanDerWaalsContact C-N 3.34Å; C174-R176 PolarHBondContact O-N 3.03Å
177	Y	91.5	Very high	92.9	Very high	8 Å²	8	67.6 Å²	67.6	3%	0.031	31%	0.312	C	S	.	.	H	α-helix	trans	-84.4	-42	177.4	-63.1	-75.6	0	0	0	110.7	C174 N175 D179 R180 L181 L199 E202 I203	C174-Y177 WeakPolarHBondContact O-CA 3.3Å; C174-Y177 WeakPolarHBondContact O-CB 3.16Å; C174-Y177 PolarHBondContact O-N 3.05Å; N175-Y177 PolarHBondContact O-N 3.03Å; N175-Y177 VanDerWaalsContact O-N 3.13Å; Y177-D179 PolarHBondContact O-N 3.09Å; Y177-R180 WeakPolarHBondContact O-CB 2.96Å; Y177-R180 PolarHBondContact O-N 3.44Å; Y177-L181 WeakPolarHBondContact O-CG 3.2Å; Y177-L181 PolarHBondContact O-N 3.35Å; Y177-L199 HydrophobicContact CD1-CD1 3.93Å; Y177-L199 HydrophobicContact CG-CD1 4.15Å; Y177-E202 HydrophobicContact CE1-CG 4.27Å; Y177-E202 WeakPolarHBondContact CE1-OE1 3.13Å; Y177-I203 HydrophobicContact CD1-CG1 4.37Å; Y177-I203 HydrophobicContact CD2-CD1 4.2Å; Y177-I203 HydrophobicContact CD2-CG1 4.14Å; Y177-I203 HydrophobicContact CE1-CG1 3.9Å; Y177-I203 HydrophobicContact CE2-CD1 4.2Å; Y177-I203 HydrophobicContact CE2-CG1 3.67Å; Y177-I203 HydrophobicContact CG-CD1 4.4Å; Y177-I203 HydrophobicContact CG-CG1 4.46Å
178	L	90.1	Very high	92.5	Very high	37 Å²	37	70.5 Å²	70.5	19%	0.194	32%	0.324	C	S	.	.	H	α-helix	trans	-58.4	-35.5	176.2	-66.8	173.9	0	0	0	112	C174 N175 R180 L181 Q182 K193 V196	C174-L178 HydrophobicContact CB-CG 4.48Å; C174-L178 WeakPolarHBondContact O-CG 3.24Å; C174-L178 PolarHBondContact O-N 3.26Å; N175-L178 PolarHBondContact O-N 2.86Å; N175-L178 VanDerWaalsContact O-N 3.1Å; L178-R180 VanDerWaalsContact C-N 3.31Å; L178-R180 PolarHBondContact O-N 3.28Å; L178-L181 HydrophobicContact CD2-CD1 4.45Å; L178-L181 PolarHBondContact O-N 3.42Å; L178-Q182 PolarHBondContact O-N 2.9Å; L178-K193 HydrophobicContact CD2-CB 4.29Å; L178-K193 HydrophobicContact CD2-CG 4.11Å; L178-V196 HydrophobicContact CD2-CG2 3.57Å; L178-V196 HydrophobicContact CG-CG2 4.22Å
179	D	90.1	Very high	92	Very high	100 Å²	100	73 Å²	73	54%	0.535	35%	0.346	S	S	.	.	H	α-helix	trans	-61.2	-38.2	175.1	-68	-24.7	0	0	0	112.5	N175 Y177 L181 Q182	N175-D179 PolarHBondContact O-N 3.48Å; Y177-D179 PolarHBondContact O-N 3.09Å; D179-L181 PolarHBondContact O-N 2.89Å; D179-Q182 WeakPolarHBondContact O-CG 3.4Å; D179-Q182 PolarHBondContact O-N 3.31Å; D179-Q182 PolarHBondContact OD1-NE2 3.3Å
180	R	91.3	Very high	91.5	Very high	116 Å²	116	72.7 Å²	72.7	44%	0.438	35%	0.352	S	S	.	.	H	α-helix	trans	-70.1	-13.4	174.7	-68.4	164.2	55.7	-165.4	-2.6	113.5	Y177 L178 W183 E202	Y177-R180 WeakPolarHBondContact O-CB 2.96Å; Y177-R180 PolarHBondContact O-N 3.44Å; L178-R180 VanDerWaalsContact C-N 3.31Å; L178-R180 PolarHBondContact O-N 3.28Å; R180-W183 PolarHBondContact O-NE1 3.29Å; R180-E202 IonicContact CZ-OE1 3.69Å; R180-E202 IonicContact CZ-OE2 2.71Å; R180-E202 IonicContact NH1-OE1 3.48Å; R180-E202 PolarHBondContact NH1-OE1 3.22Å; R180-E202 IonicContact NH1-OE2 3.75Å; R180-E202 PolarHBondContact NH1-OE2 2.88Å; R180-E202 IonicContact NH2-OE1 3.4Å; R180-E202 IonicContact NH2-OE2 3.73Å; R180-E202 PolarHBondContact NH2-OE2 3.07Å; R180-E202 VanDerWaalsContact NH2-OE2 3.11Å
181	L	94.1	Very high	91.3	Very high	3 Å²	3	68.2 Å²	68.2	2%	0.016	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-1.2	-176.1	-59.3	172.7	0	0	0	112.9	Y177 L178 D179 W183 I184 A192 F195 V196 L199 W287	Y177-L181 WeakPolarHBondContact O-CG 3.2Å; Y177-L181 PolarHBondContact O-N 3.35Å; L178-L181 HydrophobicContact CD2-CD1 4.45Å; L178-L181 PolarHBondContact O-N 3.42Å; D179-L181 PolarHBondContact O-N 2.89Å; L181-W183 PolarHBondContact O-N 3.06Å; L181-W183 VanDerWaalsContact O-N 3.11Å; L181-I184 HydrophobicContact CB-CD1 4.25Å; L181-I184 HydrophobicContact CD2-CD1 3.77Å; L181-I184 WeakPolarHBondContact O-CB 3.33Å; L181-I184 PolarHBondContact O-N 2.81Å; L181-A192 HydrophobicContact CB-CB 4.23Å; L181-F195 HydrophobicContact CD1-CB 3.73Å; L181-F195 HydrophobicContact CD2-CB 4.24Å; L181-V196 HydrophobicContact CD1-CG2 4.25Å; L181-L199 HydrophobicContact CD1-CD1 3.99Å; L181-L199 HydrophobicContact CD2-CD1 4.42Å; L181-L199 HydrophobicContact CG-CD1 4.46Å; L181-W287 HydrophobicContact CD2-CH2 3.56Å; L181-W287 HydrophobicContact CD2-CZ3 4.23Å
182	Q	91.8	Very high	91.2	Very high	144 Å²	144	66.1 Å²	66.1	67%	0.673	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-21.6	-174.9	-69.3	-177.8	6.6	0	0	114.3	L178 D179 I184	L178-Q182 PolarHBondContact O-N 2.9Å; D179-Q182 WeakPolarHBondContact O-CG 3.4Å; D179-Q182 PolarHBondContact O-N 3.31Å; D179-Q182 PolarHBondContact OD1-NE2 3.3Å; Q182-I184 VanDerWaalsContact C-N 3.25Å; Q182-I184 PolarHBondContact O-N 2.62Å
183	W	94.4	Very high	91.1	Very high	108 Å²	108	68.1 Å²	68.1	41%	0.409	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-13.2	176.6	65.6	-89.2	0	0	0	113.4	R180 L181 L288 T291 A292 M295	R180-W183 PolarHBondContact O-NE1 3.29Å; L181-W183 PolarHBondContact O-N 3.06Å; L181-W183 VanDerWaalsContact O-N 3.11Å; W183-L288 HydrophobicContact CZ2-CD2 3.94Å; W183-T291 HydrophobicContact CH2-CG2 3.5Å; W183-T291 HydrophobicContact CZ2-CG2 4.22Å; W183-T291 HydrophobicContact CZ3-CG2 3.96Å; W183-A292 HydrophobicContact CH2-CB 4.06Å; W183-A292 HydrophobicContact CZ3-CB 4.27Å; W183-M295 HydrophobicContact CE3-CG 4.23Å; W183-M295 HydrophobicContact CZ3-CB 4.16Å; W183-M295 HydrophobicContact CZ3-CG 3.75Å
184	I	96	Very high	91.2	Very high	9 Å²	9	63.5 Å²	63.5	5%	0.046	32%	0.317	C	S	.	.			trans	-85.6	114.5	-179.3	-55.5	172.3	0	0	0	109.3	L181 Q182 A192 F195 W287 T291 L301	L181-I184 HydrophobicContact CB-CD1 4.25Å; L181-I184 HydrophobicContact CD2-CD1 3.77Å; L181-I184 WeakPolarHBondContact O-CB 3.33Å; L181-I184 PolarHBondContact O-N 2.81Å; Q182-I184 VanDerWaalsContact C-N 3.25Å; Q182-I184 PolarHBondContact O-N 2.62Å; I184-A192 HydrophobicContact CB-CB 4.46Å; I184-F195 HydrophobicContact CD1-CD1 3.69Å; I184-F195 HydrophobicContact CD1-CE1 3.88Å; I184-F195 HydrophobicContact CD1-CG 4.05Å; I184-F195 HydrophobicContact CD1-CZ 4.39Å; I184-F195 HydrophobicContact CG2-CD2 4.45Å; I184-F195 HydrophobicContact CG2-CE1 4.24Å; I184-F195 HydrophobicContact CG2-CE2 3.83Å; I184-F195 HydrophobicContact CG2-CZ 3.74Å; I184-W287 HydrophobicContact CD1-CZ3 4.34Å; I184-T291 HydrophobicContact CD1-CG2 3.84Å; I184-T291 HydrophobicContact CG1-CG2 3.86Å; I184-T291 HydrophobicContact CG2-CG2 4.18Å; I184-L301 HydrophobicContact CG2-CD1 4Å
185	V	94.9	Very high	91.5	Very high	81 Å²	81	63.4 Å²	63.4	49%	0.491	32%	0.316	S	S	.	.			trans	-93.8	121.6	175.6	-173.5	0	0	0	0	109.4	M295 Y300 L301	V185-M295 HydrophobicContact CB-CE 3.78Å; V185-M295 HydrophobicContact CB-SD 4.49Å; V185-M295 HydrophobicContact CG2-CE 3.82Å; V185-Y300 CarbonylContact O-C 3.58Å; V185-Y300 VanDerWaalsContact O-CA 3.3Å; V185-Y300 WeakPolarHBondContact O-CA 3.3Å; V185-L301 PolarHBondContact O-N 2.76Å
186	S	93.8	Very high	91.8	Very high	22 Å²	22	61.4 Å²	61.4	15%	0.154	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-126.9	137	178.6	-179.5	0	0	0	0	110.6	H188 L301 G304	S186-H188 VanDerWaalsContact C-N 3.25Å; S186-H188 VanDerWaalsContact OG-CB 3.27Å; S186-H188 WeakPolarHBondContact OG-CB 3.43Å; S186-H188 PolarHBondContact OG-N 2.6Å; S186-H188 VanDerWaalsContact OG-N 3.13Å; S186-L301 CarbonylContact C-O 3.56Å; S186-L301 WeakPolarHBondContact CA-O 3.29Å; S186-G304 WeakPolarHBondContact OG-CA 3.41Å
187	K	93.3	Very high	92.3	Very high	131 Å²	131	53.5 Å²	53.5	57%	0.57	28%	0.276	S	S	*	.			trans	-78.9	-10.3	169.8	-69.8	-174.7	173	176.8	0	112.6	Y300 L301	K187-Y300 HydrophobicContact CD-CD2 3.61Å; K187-Y300 HydrophobicContact CD-CE2 3.47Å; K187-Y300 VanDerWaalsContact CD-CE2 3.47Å; K187-Y300 VanDerWaalsContact CE-CD2 3.45Å; K187-Y300 HydrophobicContact CG-CD2 3.76Å; K187-Y300 HydrophobicContact CG-CE2 4.17Å; K187-Y300 HydrophobicContact CG-CG 4.47Å; K187-Y300 PolarHBondContact NZ-OH 3.21Å; K187-Y300 VanDerWaalsContact NZ-OH 3.1Å; K187-L301 PolarHBondContact N-O 2.93Å
188	H	87.8	Confident	92.6	Very high	76 Å²	76	53.1 Å²	53.1	35%	0.352	27%	0.274	S	S	.	.	S	Bend	trans	-63.8	137.9	176.7	-172.8	-99	0	0	0	110.1	S186 A190 G191 V302	S186-H188 VanDerWaalsContact C-N 3.25Å; S186-H188 VanDerWaalsContact OG-CB 3.27Å; S186-H188 WeakPolarHBondContact OG-CB 3.43Å; S186-H188 PolarHBondContact OG-N 2.6Å; S186-H188 VanDerWaalsContact OG-N 3.13Å; H188-A190 WeakPolarHBondContact ND1-CB 3.26Å; H188-A190 PolarHBondContact ND1-N 3.08Å; H188-A190 PolarHBondContact O-N 3.35Å; H188-G191 PolarHBondContact O-N 2.78Å; H188-V302 PolarHBondContact N-O 3.18Å
189	P	85.9	Confident	92.9	Very high	118 Å²	118	51.5 Å²	51.5	77%	0.766	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-28.2	-177.5	-28.5	35.9	0	0	0	114.9	G191	P189-G191 VanDerWaalsContact C-N 3.26Å; P189-G191 PolarHBondContact O-N 2.83Å
190	A	86.7	Confident	93.3	Very high	33 Å²	33	46.7 Å²	46.7	27%	0.273	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-2.1	176.5	0	0	0	0	0	114.2	H188 A192 K193 P194	H188-A190 WeakPolarHBondContact ND1-CB 3.26Å; H188-A190 PolarHBondContact ND1-N 3.08Å; H188-A190 PolarHBondContact O-N 3.35Å; A190-A192 PolarHBondContact O-N 3.22Å; A190-K193 WeakPolarHBondContact O-CB 2.98Å; A190-K193 WeakPolarHBondContact O-CG 3.19Å; A190-K193 PolarHBondContact O-N 3.09Å; A190-P194 HydrophobicContact CB-CG 3.71Å
191	G	90.7	Very high	93.6	Very high	24 Å²	24	41.9 Å²	41.9	25%	0.247	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	-132.1	-177.6	0	0	0	0	0	112.2	H188 P189	H188-G191 PolarHBondContact O-N 2.78Å; P189-G191 VanDerWaalsContact C-N 3.26Å; P189-G191 PolarHBondContact O-N 2.83Å
192	A	91.8	Very high	93.6	Very high	21 Å²	21	45.4 Å²	45.4	17%	0.174	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-6.7	179.3	0	0	0	0	0	114.2	L181 I184 A190 P194 F195	L181-A192 HydrophobicContact CB-CB 4.23Å; I184-A192 HydrophobicContact CB-CB 4.46Å; A190-A192 PolarHBondContact O-N 3.22Å; A192-P194 VanDerWaalsContact C-CD 3.47Å; A192-F195 VanDerWaalsContact O-CB 3.28Å; A192-F195 WeakPolarHBondContact O-CB 3.36Å; A192-F195 WeakPolarHBondContact O-CD2 3.49Å; A192-F195 PolarHBondContact O-N 2.74Å
193	K	92	Very high	93.9	Very high	80 Å²	80	39.1 Å²	39.1	35%	0.348	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-56.3	-41.5	-174.4	-60.7	169.1	-174.1	167.4	0	113.9	L84 D86 L178 A190 F195 V196	L84-K193 HydrophobicContact CD2-CB 4.35Å; L84-K193 WeakPolarHBondContact CD2-O 3.44Å; D86-K193 WeakPolarHBondContact OD2-CD 3.41Å; D86-K193 WeakPolarHBondContact OD2-CE 3.36Å; D86-K193 IonicContact OD2-NZ 3.03Å; D86-K193 PolarHBondContact OD2-NZ 2.86Å; L178-K193 HydrophobicContact CD2-CB 4.29Å; L178-K193 HydrophobicContact CD2-CG 4.11Å; A190-K193 WeakPolarHBondContact O-CB 2.98Å; A190-K193 WeakPolarHBondContact O-CG 3.19Å; A190-K193 PolarHBondContact O-N 3.09Å; K193-F195 PolarHBondContact O-N 3.38Å; K193-F195 VanDerWaalsContact O-N 3.12Å; K193-V196 WeakPolarHBondContact O-CB 3.41Å; K193-V196 VanDerWaalsContact O-CG2 3.26Å; K193-V196 WeakPolarHBondContact O-CG2 3.42Å; K193-V196 PolarHBondContact O-N 3.38Å; K193-V196 VanDerWaalsContact O-N 3.11Å
194	P	94.1	Very high	94	Very high	9 Å²	9	34.2 Å²	34.2	6%	0.058	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-62.4	-18.7	178.6	-26.2	38	0	0	0	114.9	A190 A192 V196 K197 E305	A190-P194 HydrophobicContact CB-CG 3.71Å; A192-P194 VanDerWaalsContact C-CD 3.47Å; P194-V196 PolarHBondContact O-N 3.36Å; P194-V196 VanDerWaalsContact O-N 3.14Å; P194-K197 VanDerWaalsContact O-CB 3.26Å; P194-K197 WeakPolarHBondContact O-CB 3.26Å; P194-K197 VanDerWaalsContact O-CG 3.23Å; P194-K197 WeakPolarHBondContact O-CG 3.49Å; P194-K197 PolarHBondContact O-N 3.25Å; P194-E305 HydrophobicContact CB-CB 4.45Å; P194-E305 HydrophobicContact CB-CG 4.01Å; P194-E305 VanDerWaalsContact CB-OE1 3.26Å; P194-E305 WeakPolarHBondContact CB-OE1 3.44Å; P194-E305 WeakPolarHBondContact CB-OE2 3.43Å
195	F	96.2	Very high	94	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-63	-18.9	174.5	-77.5	-102	0	0	0	113.3	L181 I184 A192 K193 K197 L198 W287 T291 L301 G304 E305 V308	L181-F195 HydrophobicContact CD1-CB 3.73Å; L181-F195 HydrophobicContact CD2-CB 4.24Å; I184-F195 HydrophobicContact CD1-CD1 3.69Å; I184-F195 HydrophobicContact CD1-CE1 3.88Å; I184-F195 HydrophobicContact CD1-CG 4.05Å; I184-F195 HydrophobicContact CD1-CZ 4.39Å; I184-F195 HydrophobicContact CG2-CD2 4.45Å; I184-F195 HydrophobicContact CG2-CE1 4.24Å; I184-F195 HydrophobicContact CG2-CE2 3.83Å; I184-F195 HydrophobicContact CG2-CZ 3.74Å; A192-F195 VanDerWaalsContact O-CB 3.28Å; A192-F195 WeakPolarHBondContact O-CB 3.36Å; A192-F195 WeakPolarHBondContact O-CD2 3.49Å; A192-F195 PolarHBondContact O-N 2.74Å; K193-F195 PolarHBondContact O-N 3.38Å; K193-F195 VanDerWaalsContact O-N 3.12Å; F195-K197 PolarHBondContact O-N 3.03Å; F195-L198 HydrophobicContact CD1-CD1 3.97Å; F195-L198 HydrophobicContact CE1-CD1 4.35Å; F195-L198 WeakPolarHBondContact O-CB 3.37Å; F195-L198 PolarHBondContact O-N 2.8Å; F195-W287 HydrophobicContact CD1-CE3 4.27Å; F195-W287 AromaticContact CD1-CZ3 3.81Å; F195-W287 HydrophobicContact CD1-CZ3 3.81Å; F195-W287 HydrophobicContact CE1-CZ3 4.41Å; F195-T291 HydrophobicContact CE1-CG2 4.03Å; F195-L301 HydrophobicContact CE1-CD1 4.35Å; F195-L301 HydrophobicContact CE2-CD1 4.28Å; F195-L301 HydrophobicContact CZ-CD1 3.48Å; F195-L301 VanDerWaalsContact CZ-CD1 3.48Å; F195-G304 VanDerWaalsContact CE2-C 3.47Å; F195-E305 HydrophobicContact CD1-CB 4.24Å; F195-E305 HydrophobicContact CD2-CB 3.93Å; F195-E305 HydrophobicContact CE1-CB 4.28Å; F195-E305 HydrophobicContact CE2-CB 3.97Å; F195-E305 HydrophobicContact CG-CB 4.05Å; F195-E305 HydrophobicContact CZ-CB 4.12Å; F195-V308 HydrophobicContact CE1-CB 4.36Å; F195-V308 HydrophobicContact CE1-CG2 3.88Å; F195-V308 HydrophobicContact CZ-CG2 4.08Å
196	V	95.3	Very high	94.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-57.6	-28.6	172.2	178.2	0	0	0	0	111.3	L146 C174 L178 L181 K193 P194 L198 L199 I203	L146-V196 HydrophobicContact CB-CG1 4.26Å; L146-V196 HydrophobicContact CD1-CG1 3.68Å; L146-V196 HydrophobicContact CD2-CG1 4.33Å; L146-V196 HydrophobicContact CG-CG1 4.3Å; C174-V196 HydrophobicContact CB-CG1 4.21Å; C174-V196 HydrophobicContact CB-CG2 4.3Å; L178-V196 HydrophobicContact CD2-CG2 3.57Å; L178-V196 HydrophobicContact CG-CG2 4.22Å; L181-V196 HydrophobicContact CD1-CG2 4.25Å; K193-V196 WeakPolarHBondContact O-CB 3.41Å; K193-V196 VanDerWaalsContact O-CG2 3.26Å; K193-V196 WeakPolarHBondContact O-CG2 3.42Å; K193-V196 PolarHBondContact O-N 3.38Å; K193-V196 VanDerWaalsContact O-N 3.11Å; P194-V196 PolarHBondContact O-N 3.36Å; P194-V196 VanDerWaalsContact O-N 3.14Å; V196-L198 PolarHBondContact O-N 2.75Å; V196-L199 WeakPolarHBondContact O-CB 3.29Å; V196-L199 PolarHBondContact O-N 2.98Å; V196-I203 HydrophobicContact CG1-CD1 3.62Å
197	K	96.5	Very high	94.2	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.017	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-56.4	-38.9	171.5	-61.7	173.4	-178.3	174.1	0	111.5	P194 F195 L199 L200 V213 D215 G268 L271 F273 E305	P194-K197 VanDerWaalsContact O-CB 3.26Å; P194-K197 WeakPolarHBondContact O-CB 3.26Å; P194-K197 VanDerWaalsContact O-CG 3.23Å; P194-K197 WeakPolarHBondContact O-CG 3.49Å; P194-K197 PolarHBondContact O-N 3.25Å; F195-K197 PolarHBondContact O-N 3.03Å; K197-L199 PolarHBondContact O-N 3.09Å; K197-L200 WeakPolarHBondContact O-CB 3.05Å; K197-L200 WeakPolarHBondContact O-CD1 3.31Å; K197-L200 WeakPolarHBondContact O-CG 3.37Å; K197-L200 PolarHBondContact O-N 3.43Å; K197-V213 HydrophobicContact CD-CG1 4.21Å; K197-V213 HydrophobicContact CG-CG1 4.01Å; K197-D215 WeakPolarHBondContact CE-OD1 3.42Å; K197-D215 IonicContact NZ-OD1 3.9Å; K197-D215 PolarHBondContact NZ-OD1 2.94Å; K197-D215 IonicContact NZ-OD2 3.67Å; K197-G268 PolarHBondContact NZ-O 3.03Å; K197-L271 HydrophobicContact CB-CD1 4.43Å; K197-L271 HydrophobicContact CD-CD1 4.26Å; K197-F273 WeakPolarHBondContact O-CE2 3.44Å; K197-E305 IonicContact NZ-OE1 3.11Å; K197-E305 PolarHBondContact NZ-OE1 2.88Å
198	L	97.4	Very high	94.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-73.2	-17.3	179.3	-50.3	-172.6	0	0	0	112.5	F195 V196 F273 W283 W287 E305 V308 M309	F195-L198 HydrophobicContact CD1-CD1 3.97Å; F195-L198 HydrophobicContact CE1-CD1 4.35Å; F195-L198 WeakPolarHBondContact O-CB 3.37Å; F195-L198 PolarHBondContact O-N 2.8Å; V196-L198 PolarHBondContact O-N 2.75Å; L198-F273 HydrophobicContact CD2-CZ 4.42Å; L198-W283 HydrophobicContact CB-CZ2 4.37Å; L198-W283 HydrophobicContact CD2-CZ2 4.12Å; L198-W283 PolarHBondContact O-NE1 2.77Å; L198-W287 HydrophobicContact CB-CD2 3.99Å; L198-W287 HydrophobicContact CB-CE3 4.44Å; L198-W287 HydrophobicContact CB-CG 4.18Å; L198-W287 HydrophobicContact CD1-CB 4.29Å; L198-W287 HydrophobicContact CD1-CD2 3.95Å; L198-W287 HydrophobicContact CD1-CE3 3.77Å; L198-W287 HydrophobicContact CD1-CG 4.18Å; L198-E305 HydrophobicContact CD1-CB 4.31Å; L198-E305 HydrophobicContact CG-CB 4.47Å; L198-V308 HydrophobicContact CD1-CG1 4.12Å; L198-M309 HydrophobicContact CD2-CG 3.69Å; L198-M309 HydrophobicContact CD2-SD 3.31Å; L198-M309 WeakPolarHBondContact CD2-SD 3.26Å
199	L	97.1	Very high	94.8	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.01	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-88.9	0.6	177.1	-69.6	168.7	0	0	0	113	Y177 L181 V196 K197 P201 E202 I203 W287	Y177-L199 HydrophobicContact CD1-CD1 3.93Å; Y177-L199 HydrophobicContact CG-CD1 4.15Å; L181-L199 HydrophobicContact CD1-CD1 3.99Å; L181-L199 HydrophobicContact CD2-CD1 4.42Å; L181-L199 HydrophobicContact CG-CD1 4.46Å; V196-L199 WeakPolarHBondContact O-CB 3.29Å; V196-L199 PolarHBondContact O-N 2.98Å; K197-L199 PolarHBondContact O-N 3.09Å; L199-P201 VanDerWaalsContact C-CD 3.46Å; L199-P201 VanDerWaalsContact C-N 3.33Å; L199-E202 CarbonylContact O-C 3.6Å; L199-E202 WeakPolarHBondContact O-CA 3.35Å; L199-E202 WeakPolarHBondContact O-CB 3.49Å; L199-E202 PolarHBondContact O-N 3.46Å; L199-I203 HydrophobicContact CB-CD1 3.62Å; L199-I203 HydrophobicContact CB-CG1 4.1Å; L199-I203 WeakPolarHBondContact O-CG1 3.49Å; L199-I203 PolarHBondContact O-N 3.26Å; L199-W287 HydrophobicContact CD2-CZ2 3.65Å; L199-W287 HydrophobicContact CG-CZ2 4.03Å
200	L	97.9	Very high	95.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-53.5	-38.1	-179.3	-73.6	173.2	0	0	0	114.7	A82 L146 K197 E202 I203 L204 V211 V213 F273 L275	A82-L200 HydrophobicContact CB-CD1 4Å; A82-L200 HydrophobicContact CB-CD2 3.95Å; L146-L200 HydrophobicContact CD1-CD2 3.72Å; L146-L200 HydrophobicContact CD1-CG 4.49Å; L146-L200 HydrophobicContact CD2-CD2 4.13Å; L146-L200 HydrophobicContact CG-CD2 4.35Å; K197-L200 WeakPolarHBondContact O-CB 3.05Å; K197-L200 WeakPolarHBondContact O-CD1 3.31Å; K197-L200 WeakPolarHBondContact O-CG 3.37Å; K197-L200 PolarHBondContact O-N 3.43Å; L200-E202 PolarHBondContact O-N 2.98Å; L200-I203 PolarHBondContact O-N 3.45Å; L200-L204 HydrophobicContact CD2-CD1 3.92Å; L200-L204 HydrophobicContact CD2-CD2 4.25Å; L200-L204 HydrophobicContact CD2-CG 3.88Å; L200-L204 WeakPolarHBondContact O-CB 3.27Å; L200-L204 PolarHBondContact O-N 2.97Å; L200-V211 HydrophobicContact CD1-CG1 4.29Å; L200-V213 HydrophobicContact CD1-CG1 4.39Å; L200-V213 HydrophobicContact CD1-CG2 3.37Å; L200-F273 HydrophobicContact CB-CD2 4.48Å; L200-F273 HydrophobicContact CD1-CD2 4.15Å; L200-F273 HydrophobicContact CD1-CE2 4.45Å; L200-L275 HydrophobicContact CB-CD2 4.1Å
201	P	97.3	Very high	96	Very high	14 Å²	14	30 Å²	30	9%	0.091	17%	0.173	C	C	.	.	H	α-helix	trans	-58.7	-29.7	173.2	-29.4	39.9	0	0	0	114.3	L199 L275 L278 R279 W283	L199-P201 VanDerWaalsContact C-CD 3.46Å; L199-P201 VanDerWaalsContact C-N 3.33Å; P201-L275 HydrophobicContact CG-CD2 3.9Å; P201-L278 HydrophobicContact CG-CB 3.9Å; P201-L278 HydrophobicContact CG-CD1 4.15Å; P201-R279 HydrophobicContact CB-CG 3.9Å; P201-R279 PolarHBondContact O-NE 3.38Å; P201-W283 HydrophobicContact CG-CG 4.32Å
202	E	95.4	Very high	96.4	Very high	77 Å²	77	28.9 Å²	28.9	36%	0.36	16%	0.162	S	C	.	.	H	α-helix	trans	-87.8	-35.9	176.6	-173.1	-176.1	152	0	0	112.4	Y177 R180 L199 L200 N284	Y177-E202 HydrophobicContact CE1-CG 4.27Å; Y177-E202 WeakPolarHBondContact CE1-OE1 3.13Å; R180-E202 IonicContact CZ-OE1 3.69Å; R180-E202 IonicContact CZ-OE2 2.71Å; R180-E202 IonicContact NH1-OE1 3.48Å; R180-E202 PolarHBondContact NH1-OE1 3.22Å; R180-E202 IonicContact NH1-OE2 3.75Å; R180-E202 PolarHBondContact NH1-OE2 2.88Å; R180-E202 IonicContact NH2-OE1 3.4Å; R180-E202 IonicContact NH2-OE2 3.73Å; R180-E202 PolarHBondContact NH2-OE2 3.07Å; R180-E202 VanDerWaalsContact NH2-OE2 3.11Å; L199-E202 CarbonylContact O-C 3.6Å; L199-E202 WeakPolarHBondContact O-CA 3.35Å; L199-E202 WeakPolarHBondContact O-CB 3.49Å; L199-E202 PolarHBondContact O-N 3.46Å; L200-E202 PolarHBondContact O-N 2.98Å; E202-N284 PolarHBondContact OE2-ND2 2.9Å
203	I	96.7	Very high	96.7	Very high	13 Å²	13	28 Å²	28	7%	0.067	15%	0.154	C	C	.	.	H	α-helix	trans	-79	-45.2	-174.4	-65	167	0	0	0	111.9	L146 Y172 Y177 V196 L199 L200	L146-I203 HydrophobicContact CD2-CD1 4.22Å; L146-I203 HydrophobicContact CD2-CG2 3.81Å; Y172-I203 HydrophobicContact CD1-CG2 3.68Å; Y172-I203 HydrophobicContact CE1-CG2 4.42Å; Y172-I203 HydrophobicContact CG-CG2 3.79Å; Y177-I203 HydrophobicContact CD1-CG1 4.37Å; Y177-I203 HydrophobicContact CD2-CD1 4.2Å; Y177-I203 HydrophobicContact CD2-CG1 4.14Å; Y177-I203 HydrophobicContact CE1-CG1 3.9Å; Y177-I203 HydrophobicContact CE2-CD1 4.2Å; Y177-I203 HydrophobicContact CE2-CG1 3.67Å; Y177-I203 HydrophobicContact CG-CD1 4.4Å; Y177-I203 HydrophobicContact CG-CG1 4.46Å; V196-I203 HydrophobicContact CG1-CD1 3.62Å; L199-I203 HydrophobicContact CB-CD1 3.62Å; L199-I203 HydrophobicContact CB-CG1 4.1Å; L199-I203 WeakPolarHBondContact O-CG1 3.49Å; L199-I203 PolarHBondContact O-N 3.26Å; L200-I203 PolarHBondContact O-N 3.45Å
204	L	97.4	Very high	97	Very high	5 Å²	5	24.2 Å²	24.2	3%	0.026	14%	0.138	C	C	.	.	S	Bend	trans	-82.4	143.4	-172.4	-60.8	-171.2	0	0	0	111.7	H144 Y172 L200 V208 V211 L275 R279	H144-L204 HydrophobicContact CB-CD1 4.46Å; H144-L204 HydrophobicContact CB-CD2 3.7Å; Y172-L204 HydrophobicContact CD2-CD2 4.25Å; Y172-L204 HydrophobicContact CE1-CD2 4.2Å; Y172-L204 HydrophobicContact CE2-CD2 3.74Å; L200-L204 HydrophobicContact CD2-CD1 3.92Å; L200-L204 HydrophobicContact CD2-CD2 4.25Å; L200-L204 HydrophobicContact CD2-CG 3.88Å; L200-L204 WeakPolarHBondContact O-CB 3.27Å; L200-L204 PolarHBondContact O-N 2.97Å; L204-V208 HydrophobicContact CB-CB 4.46Å; L204-V208 HydrophobicContact CD1-CG1 4.33Å; L204-V211 HydrophobicContact CD1-CB 4.3Å; L204-V211 HydrophobicContact CD1-CG1 4.29Å; L204-V211 HydrophobicContact CD1-CG2 4.08Å; L204-L275 HydrophobicContact CB-CD1 4.24Å; L204-L275 HydrophobicContact CD1-CD1 3.82Å; L204-R279 PolarHBondContact O-NH2 2.99Å
205	P	96.7	Very high	97.1	Very high	47 Å²	47	25.5 Å²	25.5	31%	0.305	14%	0.144	S	C	.	.			trans	-52	147.1	180	-26.5	33.8	0	0	0	112.7	Y172 S207 V208 R279	Y172-P205 WeakPolarHBondContact OH-CD 3.47Å; P205-S207 PolarHBondContact O-N 2.81Å; P205-V208 HydrophobicContact CB-CG2 4.46Å; P205-V208 PolarHBondContact O-N 2.78Å; P205-R279 PolarHBondContact O-NH2 3.34Å
206	P	95.8	Very high	97	Very high	111 Å²	111	26.4 Å²	26.4	72%	0.721	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-22.9	177.3	-26.8	35.1	0	0	0	114.4	V208	P206-V208 VanDerWaalsContact C-N 3.25Å; P206-V208 PolarHBondContact O-N 3.41Å
207	S	95.5	Very high	97	Very high	82 Å²	82	27.5 Å²	27.5	57%	0.573	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-14.3	175.9	59.3	0	0	0	0	114.1	P205 H209	P205-S207 PolarHBondContact O-N 2.81Å; S207-H209 PolarHBondContact O-CE1 2.81Å; S207-H209 VanDerWaalsContact O-CE1 3.28Å; S207-H209 PolarHBondContact O-ND1 2.78Å; S207-H209 VanDerWaalsContact O-ND1 3.1Å
208	V	97.5	Very high	97	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.024	16%	0.155	C	C	.	.			trans	-90	105.5	174.9	-174.2	0	0	0	0	108	H80 L204 P205 P206 K210 L275 R279	H80-V208 HydrophobicContact CB-CG1 4.04Å; L204-V208 HydrophobicContact CB-CB 4.46Å; L204-V208 HydrophobicContact CD1-CG1 4.33Å; P205-V208 HydrophobicContact CB-CG2 4.46Å; P205-V208 PolarHBondContact O-N 2.78Å; P206-V208 VanDerWaalsContact C-N 3.25Å; P206-V208 PolarHBondContact O-N 3.41Å; V208-K210 WeakPolarHBondContact CG1-O 3.4Å; V208-L275 HydrophobicContact CB-CD1 4.38Å; V208-L275 HydrophobicContact CG1-CD1 3.97Å; V208-R279 PolarHBondContact O-NH1 3.18Å; V208-R279 PolarHBondContact O-NH2 3.46Å
209	H	97.3	Very high	96.9	Very high	79 Å²	79	27.6 Å²	27.6	37%	0.366	16%	0.155	S	C	.	.			trans	-86.3	-36.3	-173.8	-57.5	89.7	0	0	0	112.2	D76 S207 D274 L275 S276	D76-H209 IonicContact OD2-ND1 2.7Å; S207-H209 PolarHBondContact O-CE1 2.81Å; S207-H209 VanDerWaalsContact O-CE1 3.28Å; S207-H209 PolarHBondContact O-ND1 2.78Å; S207-H209 VanDerWaalsContact O-ND1 3.1Å; H209-D274 CarbonylContact O-C 3.55Å; H209-L275 WeakPolarHBondContact O-CA 3.39Å; H209-L275 WeakPolarHBondContact O-CB 3.29Å; H209-L275 PolarHBondContact O-N 2.87Å; H209-S276 WeakPolarHBondContact CA-OG 3.44Å; H209-S276 VanDerWaalsContact CB-OG 3.3Å; H209-S276 WeakPolarHBondContact CB-OG 3.48Å; H209-S276 PolarHBondContact CD2-OG 3.18Å; H209-S276 PolarHBondContact O-N 2.92Å; H209-S276 VanDerWaalsContact O-N 3.07Å
210	K	98.4	Very high	96.9	Very high	58 Å²	58	27.5 Å²	27.5	25%	0.252	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	151.3	-178.9	-71.5	163.5	179.2	173.6	0	110.1	H80 V208 W228 F231 F273	H80-K210 WeakPolarHBondContact CB-O 3.36Å; V208-K210 WeakPolarHBondContact CG1-O 3.4Å; K210-W228 HydrophobicContact CB-CH2 3.83Å; K210-W228 HydrophobicContact CB-CZ2 4.27Å; K210-W228 HydrophobicContact CB-CZ3 4.4Å; K210-W228 WeakPolarHBondContact O-CH2 3.46Å; K210-F231 HydrophobicContact CB-CD1 4.23Å; K210-F231 HydrophobicContact CB-CD2 4.08Å; K210-F231 HydrophobicContact CB-CE1 3.99Å; K210-F231 HydrophobicContact CB-CE2 3.86Å; K210-F231 HydrophobicContact CB-CG 4.28Å; K210-F231 HydrophobicContact CB-CZ 3.8Å; K210-F231 HydrophobicContact CD-CB 3.8Å; K210-F231 HydrophobicContact CD-CD1 3.87Å; K210-F231 HydrophobicContact CD-CD2 4.13Å; K210-F231 HydrophobicContact CD-CE1 4.45Å; K210-F231 HydrophobicContact CD-CG 3.69Å; K210-F231 HydrophobicContact CG-CD1 3.86Å; K210-F231 HydrophobicContact CG-CD2 4.41Å; K210-F231 HydrophobicContact CG-CE1 3.97Å; K210-F231 HydrophobicContact CG-CG 4.09Å; K210-F231 HydrophobicContact CG-CZ 4.3Å; K210-F273 CarbonylContact C-O 3.58Å; K210-F273 VanDerWaalsContact CA-O 3.3Å; K210-F273 WeakPolarHBondContact CA-O 3.31Å
211	V	98.7	Very high	96.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	136.8	176.9	69.3	0	0	0	0	111.9	H80 A82 L200 L204 V213 F231 F273 L275	H80-V211 HydrophobicContact CB-CB 4.42Å; H80-V211 HydrophobicContact CB-CG2 4.21Å; A82-V211 HydrophobicContact CB-CG2 3.66Å; L200-V211 HydrophobicContact CD1-CG1 4.29Å; L204-V211 HydrophobicContact CD1-CB 4.3Å; L204-V211 HydrophobicContact CD1-CG1 4.29Å; L204-V211 HydrophobicContact CD1-CG2 4.08Å; V211-V213 HydrophobicContact CG1-CG2 4.42Å; V211-F231 WeakPolarHBondContact O-CZ 3.4Å; V211-F273 HydrophobicContact CG1-CB 3.92Å; V211-F273 PolarHBondContact N-O 2.85Å; V211-F273 PolarHBondContact O-N 3.49Å; V211-L275 HydrophobicContact CB-CD1 4.1Å; V211-L275 HydrophobicContact CG1-CD1 3.7Å; V211-L275 HydrophobicContact CG1-CD2 3.9Å; V211-L275 HydrophobicContact CG1-CG 3.83Å
212	I	98.8	Very high	96.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	127.3	165.9	-55.1	177.1	0	0	0	107.4	V79 H80 I81 A82 L214 I224 L227 W228 F231 L271 L272	V79-I212 HydrophobicContact CG1-CD1 4.2Å; H80-I212 PolarHBondContact O-N 2.86Å; I81-I212 CarbonylContact C-O 3.49Å; I81-I212 VanDerWaalsContact CA-O 3.26Å; I81-I212 WeakPolarHBondContact CA-O 3.29Å; A82-I212 PolarHBondContact N-O 3.23Å; I212-L214 HydrophobicContact CG2-CD2 3.7Å; I212-L214 HydrophobicContact CG2-CG 3.86Å; I212-I224 HydrophobicContact CD1-CD1 3.96Å; I212-I224 HydrophobicContact CD1-CG1 3.88Å; I212-L227 HydrophobicContact CD1-CB 4.3Å; I212-L227 HydrophobicContact CD1-CD2 4.26Å; I212-L227 HydrophobicContact CD1-CG 4.15Å; I212-L227 HydrophobicContact CG2-CD2 3.86Å; I212-W228 HydrophobicContact CD1-CB 4.18Å; I212-W228 HydrophobicContact CD1-CE3 3.88Å; I212-W228 HydrophobicContact CG1-CE3 3.78Å; I212-W228 HydrophobicContact CG1-CZ3 4.26Å; I212-F231 HydrophobicContact CG1-CE2 4.28Å; I212-L271 CarbonylContact C-O 3.09Å; I212-L271 WeakPolarHBondContact CA-O 3.38Å; I212-L272 HydrophobicContact CB-CD2 4.18Å; I212-L272 HydrophobicContact CD1-CD2 4.42Å; I212-L272 HydrophobicContact CG1-CD2 3.64Å; I212-L272 HydrophobicContact CG2-CD2 4.07Å
213	V	98.7	Very high	96.6	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.018	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	126.8	170.2	-166.1	0	0	0	0	108	A82 K197 L200 V211 I270 L271 F273	A82-V213 HydrophobicContact CB-CG2 4.44Å; A82-V213 WeakPolarHBondContact O-CA 3.43Å; K197-V213 HydrophobicContact CD-CG1 4.21Å; K197-V213 HydrophobicContact CG-CG1 4.01Å; L200-V213 HydrophobicContact CD1-CG1 4.39Å; L200-V213 HydrophobicContact CD1-CG2 3.37Å; V211-V213 HydrophobicContact CG1-CG2 4.42Å; V213-I270 WeakPolarHBondContact O-CA 3.2Å; V213-L271 HydrophobicContact CB-CB 3.88Å; V213-L271 HydrophobicContact CB-CD1 4.24Å; V213-L271 HydrophobicContact CB-CG 4.38Å; V213-L271 HydrophobicContact CG1-CD1 4.47Å; V213-L271 HydrophobicContact CG2-CB 3.95Å; V213-L271 HydrophobicContact CG2-CD1 4.36Å; V213-L271 PolarHBondContact N-O 3.03Å; V213-L271 PolarHBondContact O-N 3.42Å; V213-F273 HydrophobicContact CG2-CD2 4.4Å
214	L	98.2	Very high	96.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	136.2	176.8	-60.2	177.9	0	0	0	109.9	I81 A82 I212 M218 I224 I270 I364	I81-L214 HydrophobicContact CG2-CD1 3.87Å; I81-L214 HydrophobicContact CG2-CG 4.13Å; A82-L214 PolarHBondContact O-N 3.01Å; A82-L214 VanDerWaalsContact O-N 3.08Å; I212-L214 HydrophobicContact CG2-CD2 3.7Å; I212-L214 HydrophobicContact CG2-CG 3.86Å; L214-M218 HydrophobicContact CB-SD 4.2Å; L214-M218 HydrophobicContact CD2-SD 4.02Å; L214-I224 HydrophobicContact CD1-CD1 4.3Å; L214-I270 HydrophobicContact CD2-CB 4.46Å; L214-I270 HydrophobicContact CD2-CD1 3.86Å; L214-I270 HydrophobicContact CD2-CG1 3.91Å; L214-I270 HydrophobicContact CD2-CG2 4.06Å; L214-I364 HydrophobicContact CD2-CD1 4.46Å
215	D	96.2	Very high	96.5	Very high	37 Å²	37	26.4 Å²	26.4	20%	0.198	15%	0.152	C	C	.	.			trans	-68.5	153.8	161.4	-77.2	-11.1	0	0	0	110.5	K197 D217 M218 G269 H366	K197-D215 WeakPolarHBondContact CE-OD1 3.42Å; K197-D215 IonicContact NZ-OD1 3.9Å; K197-D215 PolarHBondContact NZ-OD1 2.94Å; K197-D215 IonicContact NZ-OD2 3.67Å; D215-D217 VanDerWaalsContact C-N 3.32Å; D215-D217 WeakPolarHBondContact CB-OD1 3.22Å; D215-D217 PolarHBondContact O-N 3.08Å; D215-M218 HydrophobicContact CB-CE 4.08Å; D215-M218 WeakPolarHBondContact O-CG 3.06Å; D215-G269 PolarHBondContact N-O 3.41Å; D215-G269 VanDerWaalsContact OD2-CA 3.32Å; D215-G269 WeakPolarHBondContact OD2-CA 2.98Å; D215-H366 IonicContact OD2-CE1 2.75Å; D215-H366 IonicContact OD2-NE2 3.49Å
216	L	94.7	Very high	96.5	Very high	18 Å²	18	27.8 Å²	27.8	9%	0.094	15%	0.154	C	C	.	.	S	Bend	trans	-70	-28.2	-174.5	-85.1	175.2	0	0	0	113.9	I83 L84 I85 Y93 M94 M218	I83-L216 HydrophobicContact CG2-CD2 3.32Å; I83-L216 HydrophobicContact CG2-CG 3.65Å; L84-L216 VanDerWaalsContact O-CD1 3.3Å; L84-L216 WeakPolarHBondContact O-CD1 3.49Å; I85-L216 HydrophobicContact CB-CD1 3.87Å; I85-L216 HydrophobicContact CD1-CD1 4.2Å; I85-L216 HydrophobicContact CG1-CD1 3.75Å; Y93-L216 WeakPolarHBondContact CB-O 3.47Å; M94-L216 HydrophobicContact CB-CD2 3.82Å; M94-L216 HydrophobicContact CG-CD2 4.29Å; M94-L216 HydrophobicContact SD-CD2 3.53Å; M94-L216 VanDerWaalsContact SD-CD2 3.53Å; L216-M218 PolarHBondContact O-N 2.87Å; L216-M218 VanDerWaalsContact O-N 3.09Å
217	D	94.2	Very high	96.5	Very high	24 Å²	24	22.5 Å²	22.5	13%	0.128	12%	0.12	C	C	.	.	S	Bend	trans	-88.3	50.5	-174.9	60.9	-22.3	0	0	0	111.6	D215 H366 V367 K372	D215-D217 VanDerWaalsContact C-N 3.32Å; D215-D217 WeakPolarHBondContact CB-OD1 3.22Å; D215-D217 PolarHBondContact O-N 3.08Å; D217-H366 IonicContact OD1-CD2 3.37Å; D217-H366 PolarHBondContact OD1-CD2 3.05Å; D217-H366 IonicContact OD1-NE2 2.72Å; D217-H366 IonicContact OD2-CD2 3.83Å; D217-H366 IonicContact OD2-NE2 2.8Å; D217-V367 HydrophobicContact CB-CB 4.33Å; D217-V367 WeakPolarHBondContact O-CB 3.19Å; D217-V367 WeakPolarHBondContact O-CG2 3.39Å; D217-V367 PolarHBondContact O-N 3.04Å; D217-K372 IonicContact OD2-NZ 3.18Å; D217-K372 PolarHBondContact OD2-NZ 3.5Å
218	M	96.4	Very high	96.6	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.015	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	146.3	-179	-68.1	-171.5	168.4	0	0	112.4	L97 L214 D215 L216 G269 I270 I364 I365 H366	L97-M218 HydrophobicContact CD1-CB 4.09Å; L214-M218 HydrophobicContact CB-SD 4.2Å; L214-M218 HydrophobicContact CD2-SD 4.02Å; D215-M218 HydrophobicContact CB-CE 4.08Å; D215-M218 WeakPolarHBondContact O-CG 3.06Å; L216-M218 PolarHBondContact O-N 2.87Å; L216-M218 VanDerWaalsContact O-N 3.09Å; M218-G269 VanDerWaalsContact CE-C 3.46Å; M218-G269 WeakPolarHBondContact CE-O 3.44Å; M218-I270 HydrophobicContact CE-CD1 3.98Å; M218-I270 HydrophobicContact CE-CG1 3.36Å; M218-I270 HydrophobicContact SD-CD1 3.78Å; M218-I270 HydrophobicContact SD-CG1 3.62Å; M218-I364 HydrophobicContact CB-CG2 3.88Å; M218-I364 HydrophobicContact CG-CG2 4.12Å; M218-I364 HydrophobicContact SD-CG2 3.97Å; M218-I365 VanDerWaalsContact CA-O 3.31Å; M218-I365 WeakPolarHBondContact CA-O 3.13Å; M218-H366 HydrophobicContact CE-CB 3.87Å
219	I	96.8	Very high	96.6	Very high	3 Å²	3	22 Å²	22	2%	0.015	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	125.9	170.2	-65.4	-66.3	0	0	0	108.7	I364 I365 L403 V406 Y407 F410	I219-I364 WeakPolarHBondContact O-CA 3.33Å; I219-I365 PolarHBondContact N-O 3.11Å; I219-I365 PolarHBondContact O-N 3.07Å; I219-L403 HydrophobicContact CB-CD1 4.31Å; I219-L403 HydrophobicContact CG1-CD1 3.95Å; I219-V406 HydrophobicContact CG2-CG1 4.05Å; I219-Y407 HydrophobicContact CD1-CD2 4.02Å; I219-Y407 HydrophobicContact CG1-CD2 4.33Å; I219-F410 HydrophobicContact CG2-CD2 4.41Å; I219-F410 HydrophobicContact CG2-CE2 4.24Å
220	L	97.4	Very high	96.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	141.7	176.8	-72.3	75.3	0	0	0	110.3	L97 S100 L101 Y104 I224 I364	L97-L220 HydrophobicContact CD1-CD1 3.34Å; S100-L220 PolarHBondContact OG-N 3.47Å; S100-L220 VanDerWaalsContact OG-N 3.12Å; L101-L220 HydrophobicContact CB-CD1 4.35Å; L101-L220 HydrophobicContact CB-CD2 4.04Å; L101-L220 HydrophobicContact CD1-CD2 4.17Å; L101-L220 HydrophobicContact CG-CD2 3.97Å; Y104-L220 HydrophobicContact CD2-CB 4.5Å; Y104-L220 WeakPolarHBondContact CD2-O 3.36Å; Y104-L220 WeakPolarHBondContact CE2-O 3.38Å; L220-I224 HydrophobicContact CD2-CB 3.88Å; L220-I224 HydrophobicContact CD2-CD1 4.03Å; L220-I224 HydrophobicContact CD2-CG1 4.38Å; L220-I364 HydrophobicContact CG-CD1 4.31Å; L220-I364 HydrophobicContact CG-CG1 4.11Å
221	N	94.9	Very high	96.6	Very high	21 Å²	21	16 Å²	16	11%	0.112	8%	0.082	C	C	.	.	S	Bend	trans	-117.9	5.6	172.7	-71.2	-34.4	0	0	0	112.3	Y104 W344 P362 K363	Y104-N221 WeakPolarHBondContact CE1-O 3.43Å; Y104-N221 VanDerWaalsContact CE2-CA 3.4Å; Y104-N221 VanDerWaalsContact CZ-CA 3.45Å; Y104-N221 VanDerWaalsContact CZ-O 3.29Å; N221-W344 VanDerWaalsContact ND2-CE2 3.27Å; N221-W344 WeakPolarHBondContact ND2-CZ2 3.26Å; N221-W344 PolarHBondContact ND2-NE1 3.49Å; N221-W344 WeakPolarHBondContact OD1-CZ2 3.5Å; N221-P362 WeakPolarHBondContact CB-O 3.07Å; N221-P362 PolarHBondContact ND2-O 3.02Å; N221-P362 VanDerWaalsContact ND2-O 3.15Å; N221-K363 PolarHBondContact N-O 2.86Å
222	T	94.6	Very high	96.4	Very high	26 Å²	26	23.6 Å²	23.6	16%	0.16	12%	0.118	C	C	.	.	S	Bend	trans	-152.5	176	174.3	-156.8	0	0	0	0	111.6	Y104 I224 E226 W327 K363	Y104-T222 VanDerWaalsContact CB-O 3.28Å; Y104-T222 WeakPolarHBondContact CB-O 3.36Å; T222-I224 PolarHBondContact O-N 3.39Å; T222-E226 PolarHBondContact OG1-OE1 3.46Å; T222-W327 HydrophobicContact CG2-CH2 3.5Å; T222-W327 VanDerWaalsContact CG2-CH2 3.5Å; T222-W327 HydrophobicContact CG2-CZ2 4.37Å; T222-W327 HydrophobicContact CG2-CZ3 3.77Å; T222-K363 HydrophobicContact CG2-CB 3.81Å; T222-K363 HydrophobicContact CG2-CD 3.93Å; T222-K363 HydrophobicContact CG2-CG 3.86Å
223	N	94.9	Very high	96.4	Very high	31 Å²	31	30.6 Å²	30.6	17%	0.166	14%	0.144	C	C	.	.			trans	-71.5	126.8	180	-169.3	-29.3	0	0	0	110.9	Y104 V225 E226	Y104-N223 WeakPolarHBondContact O-CB 3.48Å; Y104-N223 PolarHBondContact O-ND2 3.21Å; N223-V225 PolarHBondContact O-N 3.47Å; N223-V225 VanDerWaalsContact O-N 3.12Å; N223-V225 WeakPolarHBondContact OD1-CB 3.25Å; N223-V225 VanDerWaalsContact OD1-CG2 3.32Å; N223-V225 WeakPolarHBondContact OD1-CG2 3.49Å; N223-V225 PolarHBondContact OD1-N 3.18Å; N223-E226 WeakPolarHBondContact O-CB 3.22Å; N223-E226 PolarHBondContact O-N 3.17Å
224	I	96.1	Very high	96.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-23.3	-179.8	-167.5	60.4	0	0	0	113.5	V79 I81 L101 I141 I212 L214 L220 T222 E226 L227 W228	V79-I224 HydrophobicContact CG1-CG2 4.47Å; I81-I224 HydrophobicContact CD1-CG1 3.94Å; I81-I224 HydrophobicContact CD1-CG2 4.42Å; L101-I224 HydrophobicContact CD1-CB 4.44Å; L101-I224 HydrophobicContact CD1-CG2 4.34Å; L101-I224 HydrophobicContact CD2-CG2 4.43Å; L101-I224 HydrophobicContact CG-CB 4.5Å; L101-I224 HydrophobicContact CG-CG2 4.25Å; I141-I224 HydrophobicContact CD1-CG2 3.99Å; I212-I224 HydrophobicContact CD1-CD1 3.96Å; I212-I224 HydrophobicContact CD1-CG1 3.88Å; L214-I224 HydrophobicContact CD1-CD1 4.3Å; L220-I224 HydrophobicContact CD2-CB 3.88Å; L220-I224 HydrophobicContact CD2-CD1 4.03Å; L220-I224 HydrophobicContact CD2-CG1 4.38Å; T222-I224 PolarHBondContact O-N 3.39Å; I224-E226 PolarHBondContact O-N 3.26Å; I224-L227 HydrophobicContact CD1-CB 4.04Å; I224-L227 HydrophobicContact CD1-CD2 3.84Å; I224-L227 HydrophobicContact CD1-CG 4.5Å; I224-L227 WeakPolarHBondContact O-CA 3.35Å; I224-L227 WeakPolarHBondContact O-CB 3.2Å; I224-L227 PolarHBondContact O-N 3.19Å; I224-W228 PolarHBondContact O-N 2.89Å
225	V	95.2	Very high	96.3	Very high	8 Å²	8	38 Å²	38	5%	0.048	18%	0.178	C	C	.	.	H	α-helix	trans	-59.1	-33.4	174.4	174	0	0	0	0	111.4	V79 Y139 N223 L227 W228 N229	V79-V225 HydrophobicContact CG2-CG2 4.08Å; Y139-V225 HydrophobicContact CD2-CB 4.28Å; Y139-V225 HydrophobicContact CD2-CG1 3.8Å; Y139-V225 HydrophobicContact CD2-CG2 3.5Å; Y139-V225 HydrophobicContact CE2-CG1 3.69Å; Y139-V225 HydrophobicContact CE2-CG2 4.26Å; Y139-V225 HydrophobicContact CG-CG1 4.4Å; Y139-V225 HydrophobicContact CG-CG2 3.83Å; N223-V225 PolarHBondContact O-N 3.47Å; N223-V225 VanDerWaalsContact O-N 3.12Å; N223-V225 WeakPolarHBondContact OD1-CB 3.25Å; N223-V225 VanDerWaalsContact OD1-CG2 3.32Å; N223-V225 WeakPolarHBondContact OD1-CG2 3.49Å; N223-V225 PolarHBondContact OD1-N 3.18Å; V225-L227 PolarHBondContact O-N 3.47Å; V225-W228 WeakPolarHBondContact O-CB 3.41Å; V225-W228 PolarHBondContact O-N 3.4Å; V225-N229 PolarHBondContact O-N 2.96Å; V225-N229 PolarHBondContact O-OD1 3.18Å
226	E	95.6	Very high	96.2	Very high	75 Å²	75	41.4 Å²	41.4	35%	0.35	19%	0.193	S	C	.	.	H	α-helix	trans	-62.9	-33.3	175.2	-67.5	178.7	-125.7	0	0	111.9	T222 N223 I224 H230 W327 K363	T222-E226 PolarHBondContact OG1-OE1 3.46Å; N223-E226 WeakPolarHBondContact O-CB 3.22Å; N223-E226 PolarHBondContact O-N 3.17Å; I224-E226 PolarHBondContact O-N 3.26Å; E226-H230 PolarHBondContact O-CD2 3.11Å; E226-W327 HydrophobicContact CB-CH2 3.7Å; E226-W327 HydrophobicContact CB-CZ2 3.61Å; E226-K363 IonicContact OE2-NZ 3.92Å; E226-K363 PolarHBondContact OE2-NZ 2.72Å
227	L	97.6	Very high	96.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-72.4	-42.4	173.7	-176.7	55.6	0	0	0	110.7	I212 I224 V225 N229 H230 I270 L272 I323 W327 I364	I212-L227 HydrophobicContact CD1-CB 4.3Å; I212-L227 HydrophobicContact CD1-CD2 4.26Å; I212-L227 HydrophobicContact CD1-CG 4.15Å; I212-L227 HydrophobicContact CG2-CD2 3.86Å; I224-L227 HydrophobicContact CD1-CB 4.04Å; I224-L227 HydrophobicContact CD1-CD2 3.84Å; I224-L227 HydrophobicContact CD1-CG 4.5Å; I224-L227 WeakPolarHBondContact O-CA 3.35Å; I224-L227 WeakPolarHBondContact O-CB 3.2Å; I224-L227 PolarHBondContact O-N 3.19Å; V225-L227 PolarHBondContact O-N 3.47Å; L227-N229 VanDerWaalsContact C-N 3.26Å; L227-N229 PolarHBondContact O-N 2.68Å; L227-H230 VanDerWaalsContact O-CB 3.27Å; L227-H230 WeakPolarHBondContact O-CB 3.34Å; L227-H230 PolarHBondContact O-N 3.3Å; L227-I270 HydrophobicContact CD2-CG2 3.99Å; L227-L272 HydrophobicContact CD1-CD1 4.1Å; L227-L272 HydrophobicContact CD1-CD2 4.12Å; L227-L272 HydrophobicContact CD1-CG 4.48Å; L227-L272 HydrophobicContact CD2-CD2 4.35Å; L227-L272 HydrophobicContact CG-CD2 3.94Å; L227-I323 HydrophobicContact CD1-CG2 3.91Å; L227-W327 HydrophobicContact CB-CD2 4.19Å; L227-W327 HydrophobicContact CB-CE3 3.89Å; L227-W327 HydrophobicContact CB-CH2 3.56Å; L227-W327 HydrophobicContact CB-CZ2 3.82Å; L227-W327 HydrophobicContact CB-CZ3 3.6Å; L227-W327 HydrophobicContact CD1-CB 4.49Å; L227-W327 HydrophobicContact CD1-CD2 3.83Å; L227-W327 HydrophobicContact CD1-CE3 4.15Å; L227-W327 HydrophobicContact CD1-CG 4.01Å; L227-W327 HydrophobicContact CD2-CE3 4.11Å; L227-W327 HydrophobicContact CD2-CZ3 4.42Å; L227-W327 HydrophobicContact CG-CD2 4.41Å; L227-W327 HydrophobicContact CG-CE3 4.26Å; L227-W327 HydrophobicContact CG-CZ3 4.43Å; L227-W327 VanDerWaalsContact N-CH2 3.28Å; L227-W327 VanDerWaalsContact N-CZ2 3.3Å; L227-I364 HydrophobicContact CD2-CD1 4.19Å
228	W	97.5	Very high	96.5	Very high	22 Å²	22	43.3 Å²	43.3	8%	0.083	20%	0.204	C	C	.	.	H	α-helix	trans	-54.8	-42.6	175.7	-174.9	-101.3	0	0	0	112	D76 K78 V79 H80 K210 I212 I224 V225 H230 F231	D76-W228 HydrophobicContact CB-CZ2 4.39Å; K78-W228 WeakPolarHBondContact O-CZ2 3.3Å; V79-W228 HydrophobicContact CB-CD2 4.25Å; V79-W228 HydrophobicContact CB-CE3 4.27Å; V79-W228 HydrophobicContact CG1-CB 4.29Å; V79-W228 HydrophobicContact CG1-CD2 4.03Å; V79-W228 HydrophobicContact CG1-CE3 3.7Å; V79-W228 HydrophobicContact CG1-CG 4.3Å; V79-W228 HydrophobicContact CG1-CZ3 4.37Å; V79-W228 HydrophobicContact CG2-CB 4.14Å; V79-W228 HydrophobicContact CG2-CD2 4.04Å; V79-W228 HydrophobicContact CG2-CG 3.84Å; H80-W228 HydrophobicContact CB-CH2 3.92Å; H80-W228 HydrophobicContact CB-CZ3 4.02Å; H80-W228 WeakPolarHBondContact O-CZ3 3.1Å; K210-W228 HydrophobicContact CB-CH2 3.83Å; K210-W228 HydrophobicContact CB-CZ2 4.27Å; K210-W228 HydrophobicContact CB-CZ3 4.4Å; K210-W228 WeakPolarHBondContact O-CH2 3.46Å; I212-W228 HydrophobicContact CD1-CB 4.18Å; I212-W228 HydrophobicContact CD1-CE3 3.88Å; I212-W228 HydrophobicContact CG1-CE3 3.78Å; I212-W228 HydrophobicContact CG1-CZ3 4.26Å; I224-W228 PolarHBondContact O-N 2.89Å; V225-W228 WeakPolarHBondContact O-CB 3.41Å; V225-W228 PolarHBondContact O-N 3.4Å; W228-H230 PolarHBondContact O-N 3.17Å; W228-F231 HydrophobicContact CD2-CD2 4.21Å; W228-F231 HydrophobicContact CD2-CE2 4.43Å; W228-F231 HydrophobicContact CE3-CD2 4.11Å; W228-F231 AromaticContact CE3-CE2 3.87Å; W228-F231 HydrophobicContact CE3-CE2 3.87Å; W228-F231 HydrophobicContact CZ3-CD2 4.41Å; W228-F231 AromaticContact CZ3-CE2 3.92Å; W228-F231 HydrophobicContact CZ3-CE2 3.92Å; W228-F231 WeakPolarHBondContact O-CB 3.5Å; W228-F231 VanDerWaalsContact O-CD2 3.29Å; W228-F231 WeakPolarHBondContact O-CD2 3.27Å; W228-F231 PolarHBondContact O-N 3.42Å
229	N	96.1	Very high	96.6	Very high	53 Å²	53	44 Å²	44	28%	0.283	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-64	-12.2	179.1	-65.5	-7	0	0	0	113.6	V225 L227 F231 E232	V225-N229 PolarHBondContact O-N 2.96Å; V225-N229 PolarHBondContact O-OD1 3.18Å; L227-N229 VanDerWaalsContact C-N 3.26Å; L227-N229 PolarHBondContact O-N 2.68Å; N229-F231 PolarHBondContact O-N 3.49Å; N229-E232 WeakPolarHBondContact O-CB 3.39Å; N229-E232 PolarHBondContact O-N 2.86Å
230	H	97.7	Very high	96.7	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.019	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-65	-23.9	171.3	-79.1	-97.6	0	0	0	112.8	E226 L227 W228 E232 R233 F234 L272 Y321 P324 W327	E226-H230 PolarHBondContact O-CD2 3.11Å; L227-H230 VanDerWaalsContact O-CB 3.27Å; L227-H230 WeakPolarHBondContact O-CB 3.34Å; L227-H230 PolarHBondContact O-N 3.3Å; W228-H230 PolarHBondContact O-N 3.17Å; H230-E232 PolarHBondContact O-N 2.95Å; H230-R233 PolarHBondContact CE1-NH1 2.51Å; H230-R233 WeakPolarHBondContact O-CB 3.09Å; H230-R233 PolarHBondContact O-N 2.58Å; H230-F234 WeakPolarHBondContact O-CD1 3.32Å; H230-L272 HydrophobicContact CB-CD1 3.7Å; H230-Y321 HydrophobicContact CB-CE1 3.88Å; H230-Y321 AromaticContact ND1-CE1 3.49Å; H230-Y321 WeakPolarHBondContact ND1-CE1 3.37Å; H230-Y321 AromaticContact ND1-CZ 3.53Å; H230-Y321 PolarHBondContact ND1-OH 3.35Å; H230-P324 VanDerWaalsContact CE1-CD 3.4Å; H230-P324 WeakPolarHBondContact CE1-CD 3.12Å; H230-W327 AromaticContact CD2-NE1 3.79Å; H230-W327 AromaticContact CE1-NE1 3.89Å; H230-W327 AromaticContact NE2-CD1 3.88Å; H230-W327 AromaticContact NE2-CE2 3.94Å; H230-W327 AromaticContact NE2-NE1 3.07Å; H230-W327 PolarHBondContact NE2-NE1 3.35Å
231	F	97.7	Very high	96.7	Very high	8 Å²	8	43.9 Å²	43.9	4%	0.035	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-60.1	-28.8	173.4	-78.8	-66.2	0	0	0	113.1	K210 V211 I212 W228 N229 R233 F234 L272	K210-F231 HydrophobicContact CB-CD1 4.23Å; K210-F231 HydrophobicContact CB-CD2 4.08Å; K210-F231 HydrophobicContact CB-CE1 3.99Å; K210-F231 HydrophobicContact CB-CE2 3.86Å; K210-F231 HydrophobicContact CB-CG 4.28Å; K210-F231 HydrophobicContact CB-CZ 3.8Å; K210-F231 HydrophobicContact CD-CB 3.8Å; K210-F231 HydrophobicContact CD-CD1 3.87Å; K210-F231 HydrophobicContact CD-CD2 4.13Å; K210-F231 HydrophobicContact CD-CE1 4.45Å; K210-F231 HydrophobicContact CD-CG 3.69Å; K210-F231 HydrophobicContact CG-CD1 3.86Å; K210-F231 HydrophobicContact CG-CD2 4.41Å; K210-F231 HydrophobicContact CG-CE1 3.97Å; K210-F231 HydrophobicContact CG-CG 4.09Å; K210-F231 HydrophobicContact CG-CZ 4.3Å; V211-F231 WeakPolarHBondContact O-CZ 3.4Å; I212-F231 HydrophobicContact CG1-CE2 4.28Å; W228-F231 HydrophobicContact CD2-CD2 4.21Å; W228-F231 HydrophobicContact CD2-CE2 4.43Å; W228-F231 HydrophobicContact CE3-CD2 4.11Å; W228-F231 AromaticContact CE3-CE2 3.87Å; W228-F231 HydrophobicContact CE3-CE2 3.87Å; W228-F231 HydrophobicContact CZ3-CD2 4.41Å; W228-F231 AromaticContact CZ3-CE2 3.92Å; W228-F231 HydrophobicContact CZ3-CE2 3.92Å; W228-F231 WeakPolarHBondContact O-CB 3.5Å; W228-F231 VanDerWaalsContact O-CD2 3.29Å; W228-F231 WeakPolarHBondContact O-CD2 3.27Å; W228-F231 PolarHBondContact O-N 3.42Å; N229-F231 PolarHBondContact O-N 3.49Å; F231-R233 PolarHBondContact O-N 3.13Å; F231-F234 HydrophobicContact CD1-CD2 4.29Å; F231-F234 HydrophobicContact CD1-CE1 4.33Å; F231-F234 AromaticContact CD1-CE2 3.84Å; F231-F234 HydrophobicContact CD1-CE2 3.84Å; F231-F234 AromaticContact CD1-CZ 3.87Å; F231-F234 HydrophobicContact CD1-CZ 3.87Å; F231-F234 HydrophobicContact CE1-CE2 4.04Å; F231-F234 HydrophobicContact CE1-CZ 4.04Å; F231-F234 PolarHBondContact O-N 3.23Å; F231-L272 HydrophobicContact CD1-CB 4.41Å; F231-L272 HydrophobicContact CE1-CB 3.69Å; F231-L272 HydrophobicContact CE2-CB 4.24Å; F231-L272 HydrophobicContact CE2-CD2 4.07Å; F231-L272 HydrophobicContact CZ-CB 3.58Å; F231-L272 HydrophobicContact CZ-CD2 4.17Å; F231-L272 HydrophobicContact CZ-CG 4.41Å
232	E	96.1	Very high	96.9	Very high	159 Å²	159	42.9 Å²	42.9	74%	0.743	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-71.6	-15.8	176.4	-58.6	-179.7	162.9	0	0	112.6	N229 H230	N229-E232 WeakPolarHBondContact O-CB 3.39Å; N229-E232 PolarHBondContact O-N 2.86Å; H230-E232 PolarHBondContact O-N 2.95Å
233	R	97.4	Very high	97	Very high	148 Å²	148	41.7 Å²	41.7	56%	0.558	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-94.1	-2	179.7	-54	178	-175.6	-174.8	2.2	112.7	H230 F231 Q235 Y321	H230-R233 PolarHBondContact CE1-NH1 2.51Å; H230-R233 WeakPolarHBondContact O-CB 3.09Å; H230-R233 PolarHBondContact O-N 2.58Å; F231-R233 PolarHBondContact O-N 3.13Å; R233-Q235 PolarHBondContact O-N 3.25Å; R233-Y321 HydrophobicContact CB-CE2 3.73Å; R233-Y321 WeakPolarHBondContact CD-OH 3.33Å
234	F	97.8	Very high	97.1	Very high	25 Å²	25	40.8 Å²	40.8	11%	0.11	19%	0.19	C	C	.	.			trans	-67.1	126.4	176.7	-79.9	24.6	0	0	0	109.2	H230 F231 Q238 L272 D274 Y321	H230-F234 WeakPolarHBondContact O-CD1 3.32Å; F231-F234 HydrophobicContact CD1-CD2 4.29Å; F231-F234 HydrophobicContact CD1-CE1 4.33Å; F231-F234 AromaticContact CD1-CE2 3.84Å; F231-F234 HydrophobicContact CD1-CE2 3.84Å; F231-F234 AromaticContact CD1-CZ 3.87Å; F231-F234 HydrophobicContact CD1-CZ 3.87Å; F231-F234 HydrophobicContact CE1-CE2 4.04Å; F231-F234 HydrophobicContact CE1-CZ 4.04Å; F231-F234 PolarHBondContact O-N 3.23Å; F234-Q238 HydrophobicContact CB-CB 4.05Å; F234-Q238 HydrophobicContact CD2-CB 4.19Å; F234-Q238 VanDerWaalsContact CD2-O 3.32Å; F234-Q238 WeakPolarHBondContact CD2-O 3.39Å; F234-Q238 HydrophobicContact CG-CB 4.12Å; F234-L272 HydrophobicContact CE1-CD1 4.3Å; F234-L272 HydrophobicContact CZ-CB 3.88Å; F234-L272 HydrophobicContact CZ-CD1 4.47Å; F234-D274 HydrophobicContact CD2-CB 4.45Å; F234-D274 HydrophobicContact CE2-CB 4.35Å; F234-Y321 AromaticContact CD1-CD1 3.96Å; F234-Y321 HydrophobicContact CD1-CD1 3.96Å; F234-Y321 AromaticContact CD1-CD2 3.73Å; F234-Y321 HydrophobicContact CD1-CD2 3.73Å; F234-Y321 HydrophobicContact CD1-CE2 4.37Å; F234-Y321 AromaticContact CD1-CG 3.5Å; F234-Y321 HydrophobicContact CD1-CG 3.5Å; F234-Y321 VanDerWaalsContact CD1-CG 3.5Å; F234-Y321 VanDerWaalsContact CE1-CB 3.42Å; F234-Y321 AromaticContact CE1-CD1 3.41Å; F234-Y321 HydrophobicContact CE1-CD1 3.41Å; F234-Y321 VanDerWaalsContact CE1-CD1 3.41Å; F234-Y321 HydrophobicContact CE1-CD2 4.04Å; F234-Y321 HydrophobicContact CE1-CE1 4.17Å; F234-Y321 AromaticContact CE1-CG 3.33Å; F234-Y321 HydrophobicContact CE1-CG 3.33Å; F234-Y321 HydrophobicContact CZ-CD1 4.36Å; F234-Y321 HydrophobicContact CZ-CG 4.29Å
235	Q	96.6	Very high	97.2	Very high	134 Å²	134	41.2 Å²	41.2	63%	0.626	19%	0.192	S	C	*	.			trans	-64.4	167.5	165.6	-62.3	-176.6	-30.4	0	0	110.3	R233 T237 Q238 K277	R233-Q235 PolarHBondContact O-N 3.25Å; Q235-T237 VanDerWaalsContact C-N 3.29Å; Q235-T237 PolarHBondContact O-N 2.96Å; Q235-T237 VanDerWaalsContact O-N 3.13Å; Q235-Q238 HydrophobicContact CB-CG 4.05Å; Q235-Q238 PolarHBondContact O-N 3.18Å; Q235-K277 PolarHBondContact O-NZ 2.83Å
236	E	95.2	Very high	97.3	Very high	107 Å²	107	41.1 Å²	41.1	50%	0.5	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.9	-49	-173.1	-163.9	-178.6	148.3	0	0	113.6	V60 K277	V60-E236 WeakPolarHBondContact CB-OE1 3.32Å; V60-E236 HydrophobicContact CG1-CG 3.53Å; V60-E236 WeakPolarHBondContact CG1-OE1 2.96Å; V60-E236 HydrophobicContact CG2-CG 4.44Å; E236-K277 PolarHBondContact O-NZ 2.81Å
237	T	96.3	Very high	97.3	Very high	57 Å²	57	38.8 Å²	38.8	35%	0.35	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-12.8	-177.2	61.2	0	0	0	0	114.6	Q235 M239 H318	Q235-T237 VanDerWaalsContact C-N 3.29Å; Q235-T237 PolarHBondContact O-N 2.96Å; Q235-T237 VanDerWaalsContact O-N 3.13Å; T237-M239 VanDerWaalsContact O-CE 3.25Å; T237-M239 WeakPolarHBondContact O-CE 3.16Å; T237-H318 CarbonylContact C-O 3.55Å; T237-H318 PolarHBondContact OG1-O 2.63Å
238	Q	98.4	Very high	97.2	Very high	25 Å²	25	41.1 Å²	41.1	12%	0.117	20%	0.196	C	C	.	.			trans	-72.2	137.1	-176.7	-69.7	176.6	-27.7	0	0	110.3	F234 Q235 K277 L319 L320	F234-Q238 HydrophobicContact CB-CB 4.05Å; F234-Q238 HydrophobicContact CD2-CB 4.19Å; F234-Q238 VanDerWaalsContact CD2-O 3.32Å; F234-Q238 WeakPolarHBondContact CD2-O 3.39Å; F234-Q238 HydrophobicContact CG-CB 4.12Å; Q235-Q238 HydrophobicContact CB-CG 4.05Å; Q235-Q238 PolarHBondContact O-N 3.18Å; Q238-K277 VanDerWaalsContact O-CD 3.29Å; Q238-K277 WeakPolarHBondContact O-CD 3.24Å; Q238-K277 PolarHBondContact O-NZ 3.49Å; Q238-L319 WeakPolarHBondContact CA-O 3.32Å; Q238-L320 VanDerWaalsContact CD-O 3.29Å; Q238-L320 WeakPolarHBondContact CG-O 3.38Å; Q238-L320 PolarHBondContact NE2-O 3.18Å
239	M	98.1	Very high	97.1	Very high	19 Å²	19	46.5 Å²	46.5	9%	0.094	22%	0.217	C	C	.	.			trans	-149.6	-5.7	-177.9	60.3	-171.9	79.3	0	0	114.2	T237 D274 K277 L278 M281 L319	T237-M239 VanDerWaalsContact O-CE 3.25Å; T237-M239 WeakPolarHBondContact O-CE 3.16Å; M239-D274 HydrophobicContact CB-CB 4Å; M239-D274 PolarHBondContact O-N 3.37Å; M239-K277 HydrophobicContact CB-CB 3.71Å; M239-K277 HydrophobicContact CB-CD 3.95Å; M239-K277 HydrophobicContact CB-CG 4.48Å; M239-K277 HydrophobicContact CE-CB 3.84Å; M239-K277 HydrophobicContact CE-CD 4.46Å; M239-K277 HydrophobicContact CG-CB 4.48Å; M239-K277 HydrophobicContact SD-CB 3.92Å; M239-L278 HydrophobicContact CB-CD2 4.48Å; M239-L278 HydrophobicContact CB-CG 4.39Å; M239-L278 HydrophobicContact CG-CD2 3.84Å; M239-L278 HydrophobicContact CG-CG 4.26Å; M239-L278 HydrophobicContact SD-CD2 3.68Å; M239-L278 HydrophobicContact SD-CG 4.14Å; M239-M281 HydrophobicContact CE-SD 4.21Å; M239-M281 HydrophobicContact SD-CG 4.36Å; M239-M281 HydrophobicContact SD-SD 3.22Å; M239-L319 HydrophobicContact CE-CD2 3.51Å; M239-L319 HydrophobicContact CG-CB 4.23Å; M239-L319 HydrophobicContact CG-CD2 4.01Å; M239-L319 PolarHBondContact N-O 2.83Å; M239-L319 HydrophobicContact SD-CD2 3.82Å
240	I	98.6	Very high	97.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	106.4	176.9	-64.1	164.5	0	0	0	108.3	L272 F273 L278 W283 M309 I312 L319 L320 Y321	I240-L272 CarbonylContact C-O 3.58Å; I240-L272 WeakPolarHBondContact CA-O 3.38Å; I240-F273 HydrophobicContact CG1-CD1 4.23Å; I240-F273 HydrophobicContact CG1-CE1 4.06Å; I240-F273 HydrophobicContact CG2-CD1 4.48Å; I240-F273 HydrophobicContact CG2-CE1 4.04Å; I240-L278 HydrophobicContact CD1-CD2 4.34Å; I240-L278 HydrophobicContact CG1-CD2 4.19Å; I240-W283 HydrophobicContact CD1-CH2 3.88Å; I240-W283 HydrophobicContact CD1-CZ3 3.73Å; I240-M309 HydrophobicContact CD1-CE 4.11Å; I240-M309 HydrophobicContact CG1-CE 4.49Å; I240-M309 HydrophobicContact CG2-CE 3.6Å; I240-I312 HydrophobicContact CD1-CG2 4.45Å; I240-L319 HydrophobicContact CD1-CB 4.37Å; I240-L319 HydrophobicContact CD1-CD1 4.46Å; I240-L319 PolarHBondContact N-O 3.38Å; I240-L320 CarbonylContact O-C 3.46Å; I240-L320 WeakPolarHBondContact O-CA 2.96Å; I240-Y321 PolarHBondContact O-N 2.95Å
241	G	98.7	Very high	97	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	132.5	163.3	0	0	0	0	0	110.4	L271 L272 Y321	G241-L271 CarbonylContact O-C 3.56Å; G241-L271 VanDerWaalsContact O-CA 3.26Å; G241-L271 WeakPolarHBondContact O-CA 3.28Å; G241-L272 PolarHBondContact N-O 3.35Å; G241-L272 PolarHBondContact O-N 3.29Å; G241-Y321 WeakPolarHBondContact CA-O 3.3Å
242	I	98.6	Very high	96.9	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	148.6	175.3	-169.6	170.3	0	0	0	110.5	Y266 N267 L271 I313 L320 Y321 I323	I242-Y266 HydrophobicContact CG2-CD1 3.64Å; I242-Y266 HydrophobicContact CG2-CD2 4.48Å; I242-Y266 HydrophobicContact CG2-CE1 4.4Å; I242-Y266 HydrophobicContact CG2-CG 3.71Å; I242-N267 WeakPolarHBondContact CD1-O 3.5Å; I242-N267 VanDerWaalsContact CG1-O 3.22Å; I242-N267 WeakPolarHBondContact CG1-O 3.46Å; I242-L271 HydrophobicContact CB-CD2 4.02Å; I242-L271 HydrophobicContact CD1-CD2 3.48Å; I242-L271 VanDerWaalsContact CD1-CD2 3.48Å; I242-L271 HydrophobicContact CG1-CD2 3.65Å; I242-I313 HydrophobicContact CD1-CD1 4.47Å; I242-I313 HydrophobicContact CG2-CD1 3.69Å; I242-L320 HydrophobicContact CG2-CD1 3.44Å; I242-L320 VanDerWaalsContact CG2-CD1 3.44Å; I242-Y321 PolarHBondContact N-O 3.41Å; I242-Y321 VanDerWaalsContact N-O 3.09Å; I242-I323 PolarHBondContact O-N 3.26Å
243	G	97.2	Very high	96.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	152.7	177.5	0	0	0	0	0	112.9	Y266 N267	G243-Y266 CarbonylContact O-C 3.58Å; G243-Y266 VanDerWaalsContact O-CA 3.3Å; G243-Y266 WeakPolarHBondContact O-CA 3.43Å; G243-Y266 WeakPolarHBondContact O-CB 3.37Å; G243-N267 PolarHBondContact O-N 3.49Å
244	L	97.3	Very high	96.7	Very high	13 Å²	13	38.2 Å²	38.2	7%	0.068	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	139.9	175.5	-68.3	176.2	0	0	0	112.3	Y266 E322 Q330	L244-Y266 HydrophobicContact CD2-CD1 4.09Å; L244-Y266 HydrophobicContact CD2-CE1 3.74Å; L244-E322 WeakPolarHBondContact CD1-OE1 3.31Å; L244-E322 HydrophobicContact CD2-CG 4.06Å; L244-E322 WeakPolarHBondContact CD2-OE2 3.41Å; L244-E322 HydrophobicContact CG-CG 4.14Å; L244-Q330 PolarHBondContact O-NE2 3.44Å
245	E	98	Very high	96.6	Very high	8 Å²	8	42 Å²	42	4%	0.037	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-71.1	136	164.4	177.7	57.6	-116.1	0	0	109.5	N247 F250 Y264 G265 N267 Q306 Q330 R339	E245-N247 WeakPolarHBondContact OE1-CB 3.33Å; E245-N247 PolarHBondContact OE1-N 3.13Å; E245-F250 HydrophobicContact CB-CD1 4.16Å; E245-F250 HydrophobicContact CG-CB 3.7Å; E245-F250 HydrophobicContact CG-CD1 3.8Å; E245-F250 HydrophobicContact CG-CG 4.09Å; E245-Y264 WeakPolarHBondContact O-CB 3.46Å; E245-G265 WeakPolarHBondContact CB-O 3.26Å; E245-G265 PolarHBondContact N-O 2.76Å; E245-N267 HydrophobicContact CB-CB 4.44Å; E245-N267 PolarHBondContact OE2-ND2 2.81Å; E245-Q306 PolarHBondContact OE2-NE2 2.83Å; E245-Q330 PolarHBondContact OE1-OE1 3.38Å; E245-R339 WeakPolarHBondContact O-CG 3.34Å
246	Q	97.1	Very high	96.4	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.028	19%	0.191	C	C	.	.			trans	-104.1	-11.8	-176.6	-61.4	178.6	15.5	0	0	112.5	N328 Q330 D336 R339 C340	Q246-N328 PolarHBondContact NE2-O 2.82Å; Q246-Q330 HydrophobicContact CB-CB 4.2Å; Q246-Q330 HydrophobicContact CG-CB 4.39Å; Q246-Q330 VanDerWaalsContact OE1-N 3.09Å; Q246-D336 WeakPolarHBondContact O-CB 3.43Å; Q246-D336 PolarHBondContact O-N 2.86Å; Q246-R339 HydrophobicContact CB-CB 4.38Å; Q246-R339 HydrophobicContact CB-CG 4.43Å; Q246-R339 HydrophobicContact CG-CB 4.3Å; Q246-R339 HydrophobicContact CG-CG 4.14Å; Q246-C340 HydrophobicContact CG-CB 4.48Å; Q246-C340 VanDerWaalsContact NE2-CB 3.34Å
247	N	95.8	Very high	96.1	Very high	26 Å²	26	35.1 Å²	35.1	14%	0.139	17%	0.174	C	C	.	.			trans	-92.6	117.3	177.6	-162.1	-39.8	0	0	0	112.4	E245 Y249 F250 S332 D333	E245-N247 WeakPolarHBondContact OE1-CB 3.33Å; E245-N247 PolarHBondContact OE1-N 3.13Å; N247-Y249 PolarHBondContact O-N 2.84Å; N247-Y249 VanDerWaalsContact O-N 3.11Å; N247-Y249 WeakPolarHBondContact OD1-CB 3.5Å; N247-Y249 PolarHBondContact OD1-N 3.1Å; N247-F250 PolarHBondContact O-N 2.8Å; N247-F250 VanDerWaalsContact O-N 3.14Å; N247-S332 PolarHBondContact ND2-OG 3.24Å; N247-D333 PolarHBondContact ND2-O 3Å
248	P	95.6	Very high	95.8	Very high	50 Å²	50	33.9 Å²	33.9	33%	0.325	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-19.3	178.3	24.6	-32.6	0	0	0	113.6	F250 H251 Y264 G334	P248-F250 PolarHBondContact O-N 3.02Å; P248-H251 VanDerWaalsContact O-CB 3.26Å; P248-H251 WeakPolarHBondContact O-CB 3.32Å; P248-H251 PolarHBondContact O-N 3.23Å; P248-Y264 HydrophobicContact CB-CD1 4.23Å; P248-Y264 HydrophobicContact CB-CE1 3.65Å; P248-Y264 HydrophobicContact CB-CE2 4.06Å; P248-G334 VanDerWaalsContact CD-O 3.22Å; P248-G334 WeakPolarHBondContact CD-O 3.3Å
249	Y	95.2	Very high	95.4	Very high	134 Å²	134	38 Å²	38	53%	0.525	20%	0.197	S	C	.	.	H	α-helix	trans	-58.3	-34.7	175.1	177.1	-103.2	0	0	0	111.9	N247 H251 K252 V253 V302	N247-Y249 PolarHBondContact O-N 2.84Å; N247-Y249 VanDerWaalsContact O-N 3.11Å; N247-Y249 WeakPolarHBondContact OD1-CB 3.5Å; N247-Y249 PolarHBondContact OD1-N 3.1Å; Y249-H251 PolarHBondContact O-N 3.26Å; Y249-K252 HydrophobicContact CD2-CD 4.43Å; Y249-K252 WeakPolarHBondContact O-CA 3.25Å; Y249-K252 VanDerWaalsContact O-CB 3.31Å; Y249-K252 WeakPolarHBondContact O-CB 3.16Å; Y249-K252 PolarHBondContact O-N 3Å; Y249-V253 HydrophobicContact CD1-CG2 4Å; Y249-V253 HydrophobicContact CE1-CG2 3.54Å; Y249-V253 PolarHBondContact O-N 3.13Å; Y249-V302 HydrophobicContact CE1-CG1 4.45Å
250	F	95.5	Very high	95.1	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.018	22%	0.216	C	C	.	.	H	α-helix	trans	-66	-26.4	-177.3	-166.6	-127.6	0	0	0	112.8	E245 N247 P248 K252 V253 M254 Y264 T303 Q306 N310	E245-F250 HydrophobicContact CB-CD1 4.16Å; E245-F250 HydrophobicContact CG-CB 3.7Å; E245-F250 HydrophobicContact CG-CD1 3.8Å; E245-F250 HydrophobicContact CG-CG 4.09Å; N247-F250 PolarHBondContact O-N 2.8Å; N247-F250 VanDerWaalsContact O-N 3.14Å; P248-F250 PolarHBondContact O-N 3.02Å; F250-K252 VanDerWaalsContact C-N 3.26Å; F250-K252 PolarHBondContact O-N 2.92Å; F250-V253 HydrophobicContact CD2-CB 3.76Å; F250-V253 HydrophobicContact CD2-CG1 3.99Å; F250-V253 HydrophobicContact CD2-CG2 4.12Å; F250-V253 HydrophobicContact CE2-CB 4.06Å; F250-V253 HydrophobicContact CE2-CG1 3.78Å; F250-V253 WeakPolarHBondContact O-CB 3.39Å; F250-V253 PolarHBondContact O-N 2.96Å; F250-V253 VanDerWaalsContact O-N 3.13Å; F250-M254 HydrophobicContact CD1-CG 4.23Å; F250-M254 HydrophobicContact CE1-CG 3.78Å; F250-M254 HydrophobicContact CE1-SD 4Å; F250-M254 HydrophobicContact CE2-CG 4.12Å; F250-M254 HydrophobicContact CE2-SD 3.87Å; F250-M254 HydrophobicContact CZ-CG 3.71Å; F250-M254 HydrophobicContact CZ-SD 3.39Å; F250-M254 WeakPolarHBondContact CZ-SD 3.29Å; F250-M254 WeakPolarHBondContact O-CG 3.43Å; F250-M254 PolarHBondContact O-N 2.95Å; F250-Y264 WeakPolarHBondContact CD1-O 3.33Å; F250-T303 HydrophobicContact CD2-CG2 3.79Å; F250-T303 HydrophobicContact CE2-CG2 3.79Å; F250-T303 WeakPolarHBondContact CE2-OG1 3.31Å; F250-Q306 HydrophobicContact CE1-CG 3.99Å; F250-Q306 HydrophobicContact CE2-CG 4.32Å; F250-Q306 HydrophobicContact CZ-CG 3.72Å; F250-N310 HydrophobicContact CE1-CB 4.24Å; F250-N310 WeakPolarHBondContact CE1-ND2 3.44Å; F250-N310 HydrophobicContact CZ-CB 4.33Å
251	H	96	Very high	94.9	Very high	40 Å²	40	42.2 Å²	42.2	19%	0.185	22%	0.218	C	C	.	.	H	α-helix	trans	-54.8	-43.7	167.8	-174.2	134.4	0	0	0	111.4	P248 Y249 V253 M254 K255 G263 Y264	P248-H251 VanDerWaalsContact O-CB 3.26Å; P248-H251 WeakPolarHBondContact O-CB 3.32Å; P248-H251 PolarHBondContact O-N 3.23Å; Y249-H251 PolarHBondContact O-N 3.26Å; H251-V253 VanDerWaalsContact C-N 3.34Å; H251-M254 PolarHBondContact O-N 2.88Å; H251-K255 VanDerWaalsContact NE2-CD 3.33Å; H251-K255 WeakPolarHBondContact NE2-CD 3.44Å; H251-K255 WeakPolarHBondContact NE2-CE 3.46Å; H251-K255 PolarHBondContact NE2-NZ 3.34Å; H251-K255 WeakPolarHBondContact O-CB 3.3Å; H251-K255 PolarHBondContact O-N 3.2Å; H251-G263 WeakPolarHBondContact CB-O 3.48Å; H251-G263 PolarHBondContact ND1-O 2.98Å; H251-Y264 HydrophobicContact CB-CD1 4.34Å
252	K	95.1	Very high	94.6	Very high	149 Å²	149	51 Å²	51	65%	0.648	26%	0.257	S	S	*	.	H	α-helix	trans	-67	-37.4	179.2	-61.5	-179	179.1	177.7	0	111.4	Y249 F250 S256	Y249-K252 HydrophobicContact CD2-CD 4.43Å; Y249-K252 WeakPolarHBondContact O-CA 3.25Å; Y249-K252 VanDerWaalsContact O-CB 3.31Å; Y249-K252 WeakPolarHBondContact O-CB 3.16Å; Y249-K252 PolarHBondContact O-N 3Å; F250-K252 VanDerWaalsContact C-N 3.26Å; F250-K252 PolarHBondContact O-N 2.92Å; K252-S256 PolarHBondContact O-N 3.41Å
253	V	94.3	Very high	94.4	Very high	5 Å²	5	52.6 Å²	52.6	3%	0.03	27%	0.273	C	S	.	.	H	α-helix	trans	-59.2	-53.4	174.1	174	0	0	0	0	109.9	Y249 F250 H251 K255 S256 V302	Y249-V253 HydrophobicContact CD1-CG2 4Å; Y249-V253 HydrophobicContact CE1-CG2 3.54Å; Y249-V253 PolarHBondContact O-N 3.13Å; F250-V253 HydrophobicContact CD2-CB 3.76Å; F250-V253 HydrophobicContact CD2-CG1 3.99Å; F250-V253 HydrophobicContact CD2-CG2 4.12Å; F250-V253 HydrophobicContact CE2-CB 4.06Å; F250-V253 HydrophobicContact CE2-CG1 3.78Å; F250-V253 WeakPolarHBondContact O-CB 3.39Å; F250-V253 PolarHBondContact O-N 2.96Å; F250-V253 VanDerWaalsContact O-N 3.13Å; H251-V253 VanDerWaalsContact C-N 3.34Å; V253-K255 PolarHBondContact O-N 3.04Å; V253-S256 WeakPolarHBondContact O-CB 3.24Å; V253-S256 PolarHBondContact O-N 2.9Å; V253-S256 VanDerWaalsContact O-N 3.11Å; V253-S256 PolarHBondContact O-OG 3.19Å; V253-V302 HydrophobicContact CG1-CB 3.65Å; V253-V302 HydrophobicContact CG1-CG1 4.27Å; V253-V302 HydrophobicContact CG1-CG2 3.92Å; V253-V302 HydrophobicContact CG2-CB 4.08Å; V253-V302 HydrophobicContact CG2-CG1 3.75Å; V253-V302 HydrophobicContact CG2-CG2 4.37Å
254	M	95.5	Very high	94.3	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-68.9	-35.7	-177.1	-63.3	-51.8	-58.5	0	0	112.9	F250 H251 S256 L257 I258 W261 N310 M311	F250-M254 HydrophobicContact CD1-CG 4.23Å; F250-M254 HydrophobicContact CE1-CG 3.78Å; F250-M254 HydrophobicContact CE1-SD 4Å; F250-M254 HydrophobicContact CE2-CG 4.12Å; F250-M254 HydrophobicContact CE2-SD 3.87Å; F250-M254 HydrophobicContact CZ-CG 3.71Å; F250-M254 HydrophobicContact CZ-SD 3.39Å; F250-M254 WeakPolarHBondContact CZ-SD 3.29Å; F250-M254 WeakPolarHBondContact O-CG 3.43Å; F250-M254 PolarHBondContact O-N 2.95Å; H251-M254 PolarHBondContact O-N 2.88Å; M254-S256 PolarHBondContact O-N 2.91Å; M254-L257 HydrophobicContact CE-CD1 4.16Å; M254-L257 WeakPolarHBondContact O-CA 3.39Å; M254-L257 WeakPolarHBondContact O-CB 3.36Å; M254-L257 PolarHBondContact O-N 2.7Å; M254-L257 HydrophobicContact SD-CD1 4.1Å; M254-I258 PolarHBondContact O-N 2.93Å; M254-W261 HydrophobicContact CB-CB 4.25Å; M254-W261 VanDerWaalsContact CB-CD1 3.43Å; M254-W261 HydrophobicContact CB-CD2 3.33Å; M254-W261 HydrophobicContact CB-CE3 3.94Å; M254-W261 HydrophobicContact CB-CG 3.41Å; M254-W261 VanDerWaalsContact CB-CG 3.41Å; M254-W261 HydrophobicContact CB-CZ2 4.02Å; M254-W261 HydrophobicContact CB-CZ3 4.47Å; M254-W261 HydrophobicContact CE-CD2 4.35Å; M254-W261 HydrophobicContact CE-CE3 3.86Å; M254-W261 HydrophobicContact CE-CH2 3.76Å; M254-W261 HydrophobicContact CE-CZ2 4.23Å; M254-W261 HydrophobicContact CE-CZ3 3.51Å; M254-W261 HydrophobicContact CG-CD2 4.04Å; M254-W261 HydrophobicContact CG-CE3 4.49Å; M254-W261 HydrophobicContact CG-CH2 4.26Å; M254-W261 HydrophobicContact CG-CZ2 3.75Å; M254-N310 HydrophobicContact CE-CB 3.76Å; M254-N310 HydrophobicContact SD-CB 4.02Å; M254-M311 HydrophobicContact CE-CG 3.88Å; M254-M311 HydrophobicContact CE-SD 3.7Å
255	K	94.8	Very high	94.3	Very high	104 Å²	104	54.7 Å²	54.7	45%	0.452	28%	0.282	S	S	.	.	H	α-helix	trans	-60.4	-27.4	171.5	-89.4	-167.4	169.9	159.9	0	114.1	H251 V253 I258 W261	H251-K255 VanDerWaalsContact NE2-CD 3.33Å; H251-K255 WeakPolarHBondContact NE2-CD 3.44Å; H251-K255 WeakPolarHBondContact NE2-CE 3.46Å; H251-K255 PolarHBondContact NE2-NZ 3.34Å; H251-K255 WeakPolarHBondContact O-CB 3.3Å; H251-K255 PolarHBondContact O-N 3.2Å; V253-K255 PolarHBondContact O-N 3.04Å; K255-I258 WeakPolarHBondContact CA-O 3.46Å; K255-I258 CarbonylContact O-C 3.6Å; K255-W261 WeakPolarHBondContact CE-O 3.46Å; K255-W261 HydrophobicContact CG-CB 3.98Å
256	S	92.1	Very high	94.3	Very high	70 Å²	70	56 Å²	56	49%	0.49	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-13.2	173.9	77.3	0	0	0	0	113.5	K252 V253 M254 K298	K252-S256 PolarHBondContact O-N 3.41Å; V253-S256 WeakPolarHBondContact O-CB 3.24Å; V253-S256 PolarHBondContact O-N 2.9Å; V253-S256 VanDerWaalsContact O-N 3.11Å; V253-S256 PolarHBondContact O-OG 3.19Å; M254-S256 PolarHBondContact O-N 2.91Å; S256-K298 PolarHBondContact OG-NZ 2.78Å
257	L	90.5	Very high	94.3	Very high	28 Å²	28	56.1 Å²	56.1	15%	0.147	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-39.2	176.3	-59.7	177.7	0	0	0	111.4	M254 L294 K298 D307 M311	M254-L257 HydrophobicContact CE-CD1 4.16Å; M254-L257 WeakPolarHBondContact O-CA 3.39Å; M254-L257 WeakPolarHBondContact O-CB 3.36Å; M254-L257 PolarHBondContact O-N 2.7Å; M254-L257 HydrophobicContact SD-CD1 4.1Å; L257-L294 HydrophobicContact CB-CD2 4.28Å; L257-L294 HydrophobicContact CD1-CD2 4.15Å; L257-L294 HydrophobicContact CD2-CD2 4.15Å; L257-L294 HydrophobicContact CG-CD2 4.42Å; L257-K298 HydrophobicContact CD2-CB 4.28Å; L257-K298 HydrophobicContact CD2-CD 3.44Å; L257-K298 VanDerWaalsContact CD2-CD 3.44Å; L257-D307 HydrophobicContact CD1-CB 4.19Å; L257-M311 HydrophobicContact CB-SD 4.32Å
258	I	89.3	Confident	94.3	Very high	31 Å²	31	55 Å²	55	16%	0.159	28%	0.283	C	S	.	.			trans	-137.6	122.1	176	-40.4	168	0	0	0	109.8	M254 K255 D260 W261 M311 F314	M254-I258 PolarHBondContact O-N 2.93Å; K255-I258 WeakPolarHBondContact CA-O 3.46Å; K255-I258 CarbonylContact O-C 3.6Å; I258-D260 VanDerWaalsContact C-N 3.3Å; I258-D260 WeakPolarHBondContact CG2-OD1 3.44Å; I258-D260 PolarHBondContact O-N 3.47Å; I258-W261 HydrophobicContact CD1-CE3 4.03Å; I258-W261 HydrophobicContact CD1-CZ3 4.38Å; I258-W261 WeakPolarHBondContact O-CB 3.41Å; I258-W261 PolarHBondContact O-N 2.75Å; I258-M311 HydrophobicContact CD1-CE 3.3Å; I258-M311 HydrophobicContact CD1-SD 3.2Å; I258-M311 WeakPolarHBondContact CD1-SD 3.39Å; I258-M311 HydrophobicContact CG1-CE 3.57Å; I258-M311 HydrophobicContact CG1-SD 3.48Å; I258-M311 WeakPolarHBondContact CG1-SD 3.39Å; I258-F314 HydrophobicContact CD1-CD1 3.44Å; I258-F314 VanDerWaalsContact CD1-CD1 3.44Å; I258-F314 HydrophobicContact CD1-CD2 4.4Å; I258-F314 HydrophobicContact CD1-CE1 3.56Å; I258-F314 HydrophobicContact CD1-CE2 4.48Å; I258-F314 HydrophobicContact CD1-CG 3.9Å; I258-F314 HydrophobicContact CD1-CZ 4.09Å; I258-F314 HydrophobicContact CG2-CE1 4.36Å; I258-F314 HydrophobicContact CG2-CZ 4.38Å
259	S	90.2	Very high	94.3	Very high	112 Å²	112	52.7 Å²	52.7	78%	0.783	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-30.9	-172.9	55.3	0	0	0	0	114.5	W261	S259-W261 VanDerWaalsContact C-N 3.33Å
260	D	91.5	Very high	94.5	Very high	95 Å²	95	46.4 Å²	46.4	51%	0.508	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	6	-178.4	73.4	-22.6	0	0	0	113.8	I258 K262 F314	I258-D260 VanDerWaalsContact C-N 3.3Å; I258-D260 WeakPolarHBondContact CG2-OD1 3.44Å; I258-D260 PolarHBondContact O-N 3.47Å; D260-K262 PolarHBondContact O-N 2.93Å; D260-F314 WeakPolarHBondContact OD1-CZ 3.23Å
261	W	94.9	Very high	94.6	Very high	11 Å²	11	46.3 Å²	46.3	4%	0.042	24%	0.243	C	C	.	.			trans	-56.6	136.6	179.8	-173.3	-88.3	0	0	0	112.6	M254 K255 I258 S259 G263 N310 F314	M254-W261 HydrophobicContact CB-CB 4.25Å; M254-W261 VanDerWaalsContact CB-CD1 3.43Å; M254-W261 HydrophobicContact CB-CD2 3.33Å; M254-W261 HydrophobicContact CB-CE3 3.94Å; M254-W261 HydrophobicContact CB-CG 3.41Å; M254-W261 VanDerWaalsContact CB-CG 3.41Å; M254-W261 HydrophobicContact CB-CZ2 4.02Å; M254-W261 HydrophobicContact CB-CZ3 4.47Å; M254-W261 HydrophobicContact CE-CD2 4.35Å; M254-W261 HydrophobicContact CE-CE3 3.86Å; M254-W261 HydrophobicContact CE-CH2 3.76Å; M254-W261 HydrophobicContact CE-CZ2 4.23Å; M254-W261 HydrophobicContact CE-CZ3 3.51Å; M254-W261 HydrophobicContact CG-CD2 4.04Å; M254-W261 HydrophobicContact CG-CE3 4.49Å; M254-W261 HydrophobicContact CG-CH2 4.26Å; M254-W261 HydrophobicContact CG-CZ2 3.75Å; K255-W261 WeakPolarHBondContact CE-O 3.46Å; K255-W261 HydrophobicContact CG-CB 3.98Å; I258-W261 HydrophobicContact CD1-CE3 4.03Å; I258-W261 HydrophobicContact CD1-CZ3 4.38Å; I258-W261 WeakPolarHBondContact O-CB 3.41Å; I258-W261 PolarHBondContact O-N 2.75Å; S259-W261 VanDerWaalsContact C-N 3.33Å; W261-G263 PolarHBondContact NE1-O 2.9Å; W261-N310 HydrophobicContact CH2-CB 3.73Å; W261-N310 HydrophobicContact CZ2-CB 4.3Å; W261-F314 HydrophobicContact CE3-CB 4.35Å; W261-F314 AromaticContact CE3-CD2 3.66Å; W261-F314 HydrophobicContact CE3-CD2 3.66Å; W261-F314 HydrophobicContact CE3-CE2 4.21Å; W261-F314 HydrophobicContact CE3-CG 4.11Å; W261-F314 HydrophobicContact CH2-CB 4.21Å; W261-F314 HydrophobicContact CZ3-CB 3.51Å; W261-F314 AromaticContact CZ3-CD2 3.64Å; W261-F314 HydrophobicContact CZ3-CD2 3.64Å; W261-F314 AromaticContact CZ3-CG 3.77Å; W261-F314 HydrophobicContact CZ3-CG 3.77Å
262	K	93.2	Very high	94.8	Very high	185 Å²	185	44.4 Å²	44.4	80%	0.804	23%	0.234	S	C	*	.			trans	-131	141.7	178.2	-65.7	-178.7	-176.1	178.6	0	111.1	D260	D260-K262 PolarHBondContact O-N 2.93Å
263	G	93.3	Very high	94.9	Very high	33 Å²	33	37.3 Å²	37.3	34%	0.34	20%	0.203	S	C	.	.	S	Bend	trans	82.7	175.8	178.1	0	0	0	0	0	113.3	H251 W261	H251-G263 WeakPolarHBondContact CB-O 3.48Å; H251-G263 PolarHBondContact ND1-O 2.98Å; W261-G263 PolarHBondContact NE1-O 2.9Å
264	Y	95.6	Very high	95.1	Very high	51 Å²	51	37.6 Å²	37.6	20%	0.2	21%	0.205	C	C	.	.			trans	-76	-29.1	-174.9	-61.9	-2.5	0	0	0	111.4	E245 P248 F250 H251 D336 R339	E245-Y264 WeakPolarHBondContact O-CB 3.46Å; P248-Y264 HydrophobicContact CB-CD1 4.23Å; P248-Y264 HydrophobicContact CB-CE1 3.65Å; P248-Y264 HydrophobicContact CB-CE2 4.06Å; F250-Y264 WeakPolarHBondContact CD1-O 3.33Å; H251-Y264 HydrophobicContact CB-CD1 4.34Å; Y264-D336 HydrophobicContact CE2-CB 3.96Å; Y264-D336 PolarHBondContact OH-OD2 2.67Å; Y264-R339 HydrophobicContact CD2-CG 4.04Å; Y264-R339 HydrophobicContact CE2-CB 4.32Å; Y264-R339 HydrophobicContact CE2-CG 4.25Å
265	G	96.9	Very high	95.3	Very high	6 Å²	6	37.6 Å²	37.6	6%	0.062	21%	0.205	C	C	.	.			trans	96.4	-153.2	-172.4	0	0	0	0	0	111.5	E245 N310	E245-G265 WeakPolarHBondContact CB-O 3.26Å; E245-G265 PolarHBondContact N-O 2.76Å; G265-N310 VanDerWaalsContact CA-OD1 3.25Å; G265-N310 WeakPolarHBondContact CA-OD1 3.47Å
266	Y	98	Very high	95.4	Very high	37 Å²	37	34.4 Å²	34.4	15%	0.145	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	148.8	-175.6	-58.3	-83.5	0	0	0	110.9	I242 G243 L244 Q306 N310 I313 L320 E322	I242-Y266 HydrophobicContact CG2-CD1 3.64Å; I242-Y266 HydrophobicContact CG2-CD2 4.48Å; I242-Y266 HydrophobicContact CG2-CE1 4.4Å; I242-Y266 HydrophobicContact CG2-CG 3.71Å; G243-Y266 CarbonylContact O-C 3.58Å; G243-Y266 VanDerWaalsContact O-CA 3.3Å; G243-Y266 WeakPolarHBondContact O-CA 3.43Å; G243-Y266 WeakPolarHBondContact O-CB 3.37Å; L244-Y266 HydrophobicContact CD2-CD1 4.09Å; L244-Y266 HydrophobicContact CD2-CE1 3.74Å; Y266-Q306 WeakPolarHBondContact O-CG 3.34Å; Y266-Q306 PolarHBondContact O-NE2 2.88Å; Y266-N310 WeakPolarHBondContact CD2-OD1 3.32Å; Y266-N310 PolarHBondContact N-OD1 2.84Å; Y266-N310 PolarHBondContact O-ND2 2.99Å; Y266-I313 HydrophobicContact CD2-CD1 3.99Å; Y266-I313 HydrophobicContact CD2-CG2 4.08Å; Y266-I313 HydrophobicContact CE2-CG2 3.62Å; Y266-I313 HydrophobicContact CG-CD1 4.38Å; Y266-L320 HydrophobicContact CD1-CD1 4.47Å; Y266-L320 HydrophobicContact CE1-CD1 4.09Å; Y266-L320 HydrophobicContact CE1-CD2 4.01Å; Y266-L320 HydrophobicContact CE2-CD2 4.03Å; Y266-L320 VanDerWaalsContact CZ-CD2 3.44Å; Y266-L320 WeakPolarHBondContact OH-CD2 3.33Å; Y266-E322 HydrophobicContact CE1-CB 4.5Å; Y266-E322 HydrophobicContact CE1-CG 4.08Å; Y266-E322 PolarHBondContact OH-OE2 2.87Å
267	N	97.8	Very high	95.6	Very high	7 Å²	7	33.5 Å²	33.5	4%	0.037	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	131	-177.5	-178.9	-92.3	0	0	0	111.4	I242 G243 E245 G269 Q306 N328 H366	I242-N267 WeakPolarHBondContact CD1-O 3.5Å; I242-N267 VanDerWaalsContact CG1-O 3.22Å; I242-N267 WeakPolarHBondContact CG1-O 3.46Å; G243-N267 PolarHBondContact O-N 3.49Å; E245-N267 HydrophobicContact CB-CB 4.44Å; E245-N267 PolarHBondContact OE2-ND2 2.81Å; N267-G269 PolarHBondContact O-N 2.84Å; N267-G269 PolarHBondContact OD1-N 3.19Å; N267-Q306 PolarHBondContact ND2-OE1 2.88Å; N267-N328 PolarHBondContact OD1-ND2 2.99Å; N267-N328 VanDerWaalsContact OD1-ND2 3.07Å; N267-H366 PolarHBondContact OD1-CE1 3.13Å; N267-H366 VanDerWaalsContact OD1-CE1 3.28Å; N267-H366 PolarHBondContact OD1-ND1 3.29Å
268	G	95.9	Very high	95.9	Very high	4 Å²	4	32.1 Å²	32.1	4%	0.041	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	6.9	-175	0	0	0	0	0	116.1	K197	K197-G268 PolarHBondContact NZ-O 3.03Å
269	G	96	Very high	96.3	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	-33.1	-178.5	0	0	0	0	0	114.1	D215 M218 N267	D215-G269 PolarHBondContact N-O 3.41Å; D215-G269 VanDerWaalsContact OD2-CA 3.32Å; D215-G269 WeakPolarHBondContact OD2-CA 2.98Å; M218-G269 VanDerWaalsContact CE-C 3.46Å; M218-G269 WeakPolarHBondContact CE-O 3.44Å; N267-G269 PolarHBondContact O-N 2.84Å; N267-G269 PolarHBondContact OD1-N 3.19Å
270	I	97.9	Very high	96.6	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	127.8	175.3	-55.8	-164.7	0	0	0	109.8	V213 L214 M218 L227 I323 W327 N328 I364	V213-I270 WeakPolarHBondContact O-CA 3.2Å; L214-I270 HydrophobicContact CD2-CB 4.46Å; L214-I270 HydrophobicContact CD2-CD1 3.86Å; L214-I270 HydrophobicContact CD2-CG1 3.91Å; L214-I270 HydrophobicContact CD2-CG2 4.06Å; M218-I270 HydrophobicContact CE-CD1 3.98Å; M218-I270 HydrophobicContact CE-CG1 3.36Å; M218-I270 HydrophobicContact SD-CD1 3.78Å; M218-I270 HydrophobicContact SD-CG1 3.62Å; L227-I270 HydrophobicContact CD2-CG2 3.99Å; I270-I323 HydrophobicContact CG2-CD1 4.14Å; I270-W327 WeakPolarHBondContact CD1-O 3.37Å; I270-N328 HydrophobicContact CD1-CB 4.26Å; I270-N328 HydrophobicContact CG1-CB 4.36Å; I270-I364 HydrophobicContact CD1-CB 4.26Å; I270-I364 HydrophobicContact CD1-CD1 3.6Å; I270-I364 HydrophobicContact CD1-CG1 4.47Å; I270-I364 HydrophobicContact CD1-CG2 4.12Å
271	L	98.6	Very high	96.7	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	146.3	174.9	-51.3	163.8	0	0	0	110.3	K197 I212 V213 G241 I242 F273 M309	K197-L271 HydrophobicContact CB-CD1 4.43Å; K197-L271 HydrophobicContact CD-CD1 4.26Å; I212-L271 CarbonylContact C-O 3.09Å; I212-L271 WeakPolarHBondContact CA-O 3.38Å; V213-L271 HydrophobicContact CB-CB 3.88Å; V213-L271 HydrophobicContact CB-CD1 4.24Å; V213-L271 HydrophobicContact CB-CG 4.38Å; V213-L271 HydrophobicContact CG1-CD1 4.47Å; V213-L271 HydrophobicContact CG2-CB 3.95Å; V213-L271 HydrophobicContact CG2-CD1 4.36Å; V213-L271 PolarHBondContact N-O 3.03Å; V213-L271 PolarHBondContact O-N 3.42Å; G241-L271 CarbonylContact O-C 3.56Å; G241-L271 VanDerWaalsContact O-CA 3.26Å; G241-L271 WeakPolarHBondContact O-CA 3.28Å; I242-L271 HydrophobicContact CB-CD2 4.02Å; I242-L271 HydrophobicContact CD1-CD2 3.48Å; I242-L271 VanDerWaalsContact CD1-CD2 3.48Å; I242-L271 HydrophobicContact CG1-CD2 3.65Å; L271-F273 HydrophobicContact CB-CD1 4.16Å; L271-F273 HydrophobicContact CB-CE1 3.97Å; L271-F273 HydrophobicContact CB-CZ 4.42Å; L271-F273 HydrophobicContact CD1-CE1 4.12Å; L271-F273 HydrophobicContact CD1-CE2 4.38Å; L271-F273 HydrophobicContact CD1-CZ 3.8Å; L271-F273 HydrophobicContact CD2-CE1 4.36Å; L271-F273 HydrophobicContact CG-CE1 4.39Å; L271-M309 HydrophobicContact CD2-CE 4.31Å
272	L	98.8	Very high	96.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	109.5	165.7	-56.7	178.7	0	0	0	107.5	I212 L227 H230 F231 F234 I240 G241 I323	I212-L272 HydrophobicContact CB-CD2 4.18Å; I212-L272 HydrophobicContact CD1-CD2 4.42Å; I212-L272 HydrophobicContact CG1-CD2 3.64Å; I212-L272 HydrophobicContact CG2-CD2 4.07Å; L227-L272 HydrophobicContact CD1-CD1 4.1Å; L227-L272 HydrophobicContact CD1-CD2 4.12Å; L227-L272 HydrophobicContact CD1-CG 4.48Å; L227-L272 HydrophobicContact CD2-CD2 4.35Å; L227-L272 HydrophobicContact CG-CD2 3.94Å; H230-L272 HydrophobicContact CB-CD1 3.7Å; F231-L272 HydrophobicContact CD1-CB 4.41Å; F231-L272 HydrophobicContact CE1-CB 3.69Å; F231-L272 HydrophobicContact CE2-CB 4.24Å; F231-L272 HydrophobicContact CE2-CD2 4.07Å; F231-L272 HydrophobicContact CZ-CB 3.58Å; F231-L272 HydrophobicContact CZ-CD2 4.17Å; F231-L272 HydrophobicContact CZ-CG 4.41Å; F234-L272 HydrophobicContact CE1-CD1 4.3Å; F234-L272 HydrophobicContact CZ-CB 3.88Å; F234-L272 HydrophobicContact CZ-CD1 4.47Å; I240-L272 CarbonylContact C-O 3.58Å; I240-L272 WeakPolarHBondContact CA-O 3.38Å; G241-L272 PolarHBondContact N-O 3.35Å; G241-L272 PolarHBondContact O-N 3.29Å; L272-I323 HydrophobicContact CD1-CD1 3.86Å; L272-I323 HydrophobicContact CD1-CG1 4Å; L272-I323 HydrophobicContact CG-CD1 3.71Å; L272-I323 HydrophobicContact CG-CG1 4.37Å
273	F	98.7	Very high	96.7	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	120	179.6	-78.8	-4	0	0	0	110.6	K197 L198 L200 K210 V211 V213 I240 L271 L275 L278 W283 M309	K197-F273 WeakPolarHBondContact O-CE2 3.44Å; L198-F273 HydrophobicContact CD2-CZ 4.42Å; L200-F273 HydrophobicContact CB-CD2 4.48Å; L200-F273 HydrophobicContact CD1-CD2 4.15Å; L200-F273 HydrophobicContact CD1-CE2 4.45Å; K210-F273 CarbonylContact C-O 3.58Å; K210-F273 VanDerWaalsContact CA-O 3.3Å; K210-F273 WeakPolarHBondContact CA-O 3.31Å; V211-F273 HydrophobicContact CG1-CB 3.92Å; V211-F273 PolarHBondContact N-O 2.85Å; V211-F273 PolarHBondContact O-N 3.49Å; V213-F273 HydrophobicContact CG2-CD2 4.4Å; I240-F273 HydrophobicContact CG1-CD1 4.23Å; I240-F273 HydrophobicContact CG1-CE1 4.06Å; I240-F273 HydrophobicContact CG2-CD1 4.48Å; I240-F273 HydrophobicContact CG2-CE1 4.04Å; L271-F273 HydrophobicContact CB-CD1 4.16Å; L271-F273 HydrophobicContact CB-CE1 3.97Å; L271-F273 HydrophobicContact CB-CZ 4.42Å; L271-F273 HydrophobicContact CD1-CE1 4.12Å; L271-F273 HydrophobicContact CD1-CE2 4.38Å; L271-F273 HydrophobicContact CD1-CZ 3.8Å; L271-F273 HydrophobicContact CD2-CE1 4.36Å; L271-F273 HydrophobicContact CG-CE1 4.39Å; F273-L275 VanDerWaalsContact C-N 3.33Å; F273-L275 HydrophobicContact CB-CD2 3.8Å; F273-L275 HydrophobicContact CB-CG 4.38Å; F273-L275 HydrophobicContact CD2-CD2 4.29Å; F273-L275 PolarHBondContact O-N 2.96Å; F273-L278 HydrophobicContact CB-CD1 3.73Å; F273-L278 HydrophobicContact CD1-CD1 4.11Å; F273-L278 HydrophobicContact CD2-CD1 4.02Å; F273-L278 HydrophobicContact CG-CD1 3.71Å; F273-W283 HydrophobicContact CZ-CZ2 4.44Å; F273-M309 HydrophobicContact CE1-CE 3.9Å; F273-M309 HydrophobicContact CZ-CE 4.03Å; F273-M309 HydrophobicContact CZ-SD 4.45Å
274	D	98.4	Very high	96.8	Very high	12 Å²	12	28.3 Å²	28.3	6%	0.064	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	88	161.8	-170.5	-40.6	0	0	0	107.4	H209 F234 M239 S276 K277 L278	H209-D274 CarbonylContact O-C 3.55Å; F234-D274 HydrophobicContact CD2-CB 4.45Å; F234-D274 HydrophobicContact CE2-CB 4.35Å; M239-D274 HydrophobicContact CB-CB 4Å; M239-D274 PolarHBondContact O-N 3.37Å; D274-S276 PolarHBondContact O-N 3.24Å; D274-S276 WeakPolarHBondContact OD1-CB 3.07Å; D274-S276 PolarHBondContact OD1-N 3.44Å; D274-K277 HydrophobicContact CB-CB 4.26Å; D274-K277 HydrophobicContact CB-CD 4.2Å; D274-K277 HydrophobicContact CB-CG 4.33Å; D274-K277 PolarHBondContact O-N 3.47Å; D274-K277 WeakPolarHBondContact OD1-CG 3.33Å; D274-K277 PolarHBondContact OD1-N 3.27Å; D274-K277 VanDerWaalsContact OD2-CE 3.31Å; D274-K277 WeakPolarHBondContact OD2-CE 3.47Å; D274-L278 VanDerWaalsContact O-CG 3.29Å; D274-L278 WeakPolarHBondContact O-CG 3.26Å; D274-L278 PolarHBondContact O-N 3.47Å
275	L	98.2	Very high	96.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.4	-29.7	-176.4	-58	175.8	0	0	0	111.6	L200 P201 L204 V208 H209 V211 F273 L278 R279	L200-L275 HydrophobicContact CB-CD2 4.1Å; P201-L275 HydrophobicContact CG-CD2 3.9Å; L204-L275 HydrophobicContact CB-CD1 4.24Å; L204-L275 HydrophobicContact CD1-CD1 3.82Å; V208-L275 HydrophobicContact CB-CD1 4.38Å; V208-L275 HydrophobicContact CG1-CD1 3.97Å; H209-L275 WeakPolarHBondContact O-CA 3.39Å; H209-L275 WeakPolarHBondContact O-CB 3.29Å; H209-L275 PolarHBondContact O-N 2.87Å; V211-L275 HydrophobicContact CB-CD1 4.1Å; V211-L275 HydrophobicContact CG1-CD1 3.7Å; V211-L275 HydrophobicContact CG1-CD2 3.9Å; V211-L275 HydrophobicContact CG1-CG 3.83Å; F273-L275 VanDerWaalsContact C-N 3.33Å; F273-L275 HydrophobicContact CB-CD2 3.8Å; F273-L275 HydrophobicContact CB-CG 4.38Å; F273-L275 HydrophobicContact CD2-CD2 4.29Å; F273-L275 PolarHBondContact O-N 2.96Å; L275-L278 HydrophobicContact CD2-CD1 4.35Å; L275-R279 VanDerWaalsContact CB-NH1 3.29Å; L275-R279 VanDerWaalsContact O-CB 3.3Å; L275-R279 WeakPolarHBondContact O-CB 3.45Å; L275-R279 WeakPolarHBondContact O-CG 3.41Å; L275-R279 PolarHBondContact O-N 3.13Å
276	S	96.7	Very high	96.8	Very high	37 Å²	37	30.8 Å²	30.8	26%	0.259	15%	0.154	S	C	.	.	H	α-helix	trans	-62.1	-48.8	174.5	-67.5	0	0	0	0	111.4	H209 D274 R279 L280	H209-S276 WeakPolarHBondContact CA-OG 3.44Å; H209-S276 VanDerWaalsContact CB-OG 3.3Å; H209-S276 WeakPolarHBondContact CB-OG 3.48Å; H209-S276 PolarHBondContact CD2-OG 3.18Å; H209-S276 PolarHBondContact O-N 2.92Å; H209-S276 VanDerWaalsContact O-N 3.07Å; D274-S276 PolarHBondContact O-N 3.24Å; D274-S276 WeakPolarHBondContact OD1-CB 3.07Å; D274-S276 PolarHBondContact OD1-N 3.44Å; S276-R279 PolarHBondContact O-N 3.45Å; S276-L280 WeakPolarHBondContact O-CG 3.13Å; S276-L280 PolarHBondContact O-N 3.18Å
277	K	97.4	Very high	96.8	Very high	50 Å²	50	29.1 Å²	29.1	22%	0.217	15%	0.148	C	C	.	.	H	α-helix	trans	-66.2	-43.1	175.5	-66.7	-179.2	-170.4	-171.6	0	112.1	Q235 E236 Q238 M239 D274 R279 L280 M281	Q235-K277 PolarHBondContact O-NZ 2.83Å; E236-K277 PolarHBondContact O-NZ 2.81Å; Q238-K277 VanDerWaalsContact O-CD 3.29Å; Q238-K277 WeakPolarHBondContact O-CD 3.24Å; Q238-K277 PolarHBondContact O-NZ 3.49Å; M239-K277 HydrophobicContact CB-CB 3.71Å; M239-K277 HydrophobicContact CB-CD 3.95Å; M239-K277 HydrophobicContact CB-CG 4.48Å; M239-K277 HydrophobicContact CE-CB 3.84Å; M239-K277 HydrophobicContact CE-CD 4.46Å; M239-K277 HydrophobicContact CG-CB 4.48Å; M239-K277 HydrophobicContact SD-CB 3.92Å; D274-K277 HydrophobicContact CB-CB 4.26Å; D274-K277 HydrophobicContact CB-CD 4.2Å; D274-K277 HydrophobicContact CB-CG 4.33Å; D274-K277 PolarHBondContact O-N 3.47Å; D274-K277 WeakPolarHBondContact OD1-CG 3.33Å; D274-K277 PolarHBondContact OD1-N 3.27Å; D274-K277 VanDerWaalsContact OD2-CE 3.31Å; D274-K277 WeakPolarHBondContact OD2-CE 3.47Å; K277-R279 VanDerWaalsContact C-N 3.31Å; K277-R279 PolarHBondContact O-N 3.07Å; K277-L280 PolarHBondContact O-N 2.9Å; K277-L280 VanDerWaalsContact O-N 3.13Å; K277-M281 PolarHBondContact O-N 2.94Å
278	L	97.7	Very high	96.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.3	-34.4	178.5	-68.9	168.7	0	0	0	112.7	P201 M239 I240 F273 D274 L275 L280 M281 W283	P201-L278 HydrophobicContact CG-CB 3.9Å; P201-L278 HydrophobicContact CG-CD1 4.15Å; M239-L278 HydrophobicContact CB-CD2 4.48Å; M239-L278 HydrophobicContact CB-CG 4.39Å; M239-L278 HydrophobicContact CG-CD2 3.84Å; M239-L278 HydrophobicContact CG-CG 4.26Å; M239-L278 HydrophobicContact SD-CD2 3.68Å; M239-L278 HydrophobicContact SD-CG 4.14Å; I240-L278 HydrophobicContact CD1-CD2 4.34Å; I240-L278 HydrophobicContact CG1-CD2 4.19Å; F273-L278 HydrophobicContact CB-CD1 3.73Å; F273-L278 HydrophobicContact CD1-CD1 4.11Å; F273-L278 HydrophobicContact CD2-CD1 4.02Å; F273-L278 HydrophobicContact CG-CD1 3.71Å; D274-L278 VanDerWaalsContact O-CG 3.29Å; D274-L278 WeakPolarHBondContact O-CG 3.26Å; D274-L278 PolarHBondContact O-N 3.47Å; L275-L278 HydrophobicContact CD2-CD1 4.35Å; L278-L280 VanDerWaalsContact C-N 3.35Å; L278-M281 HydrophobicContact CD2-SD 3.9Å; L278-M281 WeakPolarHBondContact O-CG 3.26Å; L278-M281 VanDerWaalsContact O-O 3.1Å; L278-W283 HydrophobicContact CB-CB 4.49Å; L278-W283 HydrophobicContact CB-CG 4.43Å; L278-W283 HydrophobicContact CD2-CD2 3.78Å; L278-W283 HydrophobicContact CD2-CE3 3.53Å; L278-W283 HydrophobicContact CD2-CG 4.3Å; L278-W283 HydrophobicContact CD2-CH2 4.48Å; L278-W283 HydrophobicContact CD2-CZ3 3.91Å; L278-W283 WeakPolarHBondContact O-CB 3.46Å
279	R	97	Very high	96.8	Very high	73 Å²	73	34.7 Å²	34.7	28%	0.275	18%	0.183	S	C	.	.	H	α-helix	trans	-74	-23.7	176	-72.7	173.9	-167	122.4	-8.4	113.6	P201 L204 P205 V208 L275 S276 K277	P201-R279 HydrophobicContact CB-CG 3.9Å; P201-R279 PolarHBondContact O-NE 3.38Å; L204-R279 PolarHBondContact O-NH2 2.99Å; P205-R279 PolarHBondContact O-NH2 3.34Å; V208-R279 PolarHBondContact O-NH1 3.18Å; V208-R279 PolarHBondContact O-NH2 3.46Å; L275-R279 VanDerWaalsContact CB-NH1 3.29Å; L275-R279 VanDerWaalsContact O-CB 3.3Å; L275-R279 WeakPolarHBondContact O-CB 3.45Å; L275-R279 WeakPolarHBondContact O-CG 3.41Å; L275-R279 PolarHBondContact O-N 3.13Å; S276-R279 PolarHBondContact O-N 3.45Å; K277-R279 VanDerWaalsContact C-N 3.31Å; K277-R279 PolarHBondContact O-N 3.07Å
280	L	95.9	Very high	96.9	Very high	131 Å²	131	35 Å²	35	69%	0.686	18%	0.184	S	C	*	.	H	α-helix	trans	-80.4	-22.8	176.9	-70.6	173.9	0	0	0	112.6	S276 K277 L278	S276-L280 WeakPolarHBondContact O-CG 3.13Å; S276-L280 PolarHBondContact O-N 3.18Å; K277-L280 PolarHBondContact O-N 2.9Å; K277-L280 VanDerWaalsContact O-N 3.13Å; L278-L280 VanDerWaalsContact C-N 3.35Å
281	M	93.4	Very high	96.8	Very high	43 Å²	43	34.9 Å²	34.9	21%	0.212	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	163	169.1	66.8	-177.8	-65.4	0	0	111	M239 K277 L278 W283 I286 L319	M239-M281 HydrophobicContact CE-SD 4.21Å; M239-M281 HydrophobicContact SD-CG 4.36Å; M239-M281 HydrophobicContact SD-SD 3.22Å; K277-M281 PolarHBondContact O-N 2.94Å; L278-M281 HydrophobicContact CD2-SD 3.9Å; L278-M281 WeakPolarHBondContact O-CG 3.26Å; L278-M281 VanDerWaalsContact O-O 3.1Å; M281-W283 HydrophobicContact CE-CE3 4.15Å; M281-W283 HydrophobicContact CG-CB 3.92Å; M281-W283 PolarHBondContact O-N 2.93Å; M281-W283 HydrophobicContact SD-CB 4.47Å; M281-W283 HydrophobicContact SD-CE3 4.21Å; M281-I286 HydrophobicContact CE-CD1 3.19Å; M281-I286 HydrophobicContact CE-CG1 4.49Å; M281-L319 HydrophobicContact CE-CD1 4.06Å
282	M	92.1	Very high	96.7	Very high	96 Å²	96	36.2 Å²	36.2	47%	0.473	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	53.8	170.2	-65.1	179.4	74.4	0	0	110.9	N284 D285 I286	M282-N284 PolarHBondContact O-N 2.98Å; M282-D285 HydrophobicContact CB-CB 4.15Å; M282-D285 WeakPolarHBondContact CB-OD2 3.23Å; M282-D285 HydrophobicContact CE-CB 4.19Å; M282-D285 WeakPolarHBondContact CE-OD2 3.47Å; M282-D285 PolarHBondContact O-N 3.42Å; M282-I286 WeakPolarHBondContact O-CG1 3.3Å; M282-I286 PolarHBondContact O-N 3.2Å
283	W	97.2	Very high	96.6	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.015	22%	0.216	C	C	.	.	H	α-helix	trans	-57.1	-48.9	-170.9	168.2	-106.9	0	0	0	111.9	L198 P201 I240 F273 L278 M281 D285 I286 W287 M309 I312	L198-W283 HydrophobicContact CB-CZ2 4.37Å; L198-W283 HydrophobicContact CD2-CZ2 4.12Å; L198-W283 PolarHBondContact O-NE1 2.77Å; P201-W283 HydrophobicContact CG-CG 4.32Å; I240-W283 HydrophobicContact CD1-CH2 3.88Å; I240-W283 HydrophobicContact CD1-CZ3 3.73Å; F273-W283 HydrophobicContact CZ-CZ2 4.44Å; L278-W283 HydrophobicContact CB-CB 4.49Å; L278-W283 HydrophobicContact CB-CG 4.43Å; L278-W283 HydrophobicContact CD2-CD2 3.78Å; L278-W283 HydrophobicContact CD2-CE3 3.53Å; L278-W283 HydrophobicContact CD2-CG 4.3Å; L278-W283 HydrophobicContact CD2-CH2 4.48Å; L278-W283 HydrophobicContact CD2-CZ3 3.91Å; L278-W283 WeakPolarHBondContact O-CB 3.46Å; M281-W283 HydrophobicContact CE-CE3 4.15Å; M281-W283 HydrophobicContact CG-CB 3.92Å; M281-W283 PolarHBondContact O-N 2.93Å; M281-W283 HydrophobicContact SD-CB 4.47Å; M281-W283 HydrophobicContact SD-CE3 4.21Å; W283-D285 VanDerWaalsContact C-N 3.31Å; W283-D285 PolarHBondContact O-N 3.13Å; W283-I286 PolarHBondContact O-N 3.03Å; W283-W287 AromaticContact CD1-CD1 3.76Å; W283-W287 AromaticContact CE2-CD1 3.69Å; W283-W287 HydrophobicContact CZ2-CB 4.46Å; W283-W287 AromaticContact NE1-CD1 3.44Å; W283-W287 AromaticContact NE1-NE1 3.88Å; W283-W287 PolarHBondContact O-N 2.8Å; W283-M309 HydrophobicContact CH2-CE 4.45Å; W283-M309 HydrophobicContact CH2-SD 3.86Å; W283-M309 HydrophobicContact CZ2-SD 4.32Å; W283-I312 HydrophobicContact CH2-CD1 3.9Å; W283-I312 HydrophobicContact CZ3-CD1 4.16Å; W283-I312 HydrophobicContact CZ3-CG2 4.12Å
284	N	94.9	Very high	96.4	Very high	40 Å²	40	40.9 Å²	40.9	21%	0.214	22%	0.216	C	C	.	.	H	α-helix	trans	-58.1	-44.9	179.2	-83.9	-6.9	0	0	0	111.6	E202 M282 I286 W287 L288	E202-N284 PolarHBondContact OE2-ND2 2.9Å; M282-N284 PolarHBondContact O-N 2.98Å; N284-I286 VanDerWaalsContact C-N 3.34Å; N284-I286 PolarHBondContact O-N 3.1Å; N284-W287 PolarHBondContact OD1-NE1 3.13Å; N284-L288 WeakPolarHBondContact O-CB 3.44Å; N284-L288 WeakPolarHBondContact O-CD1 3.43Å; N284-L288 WeakPolarHBondContact O-CG 3.32Å; N284-L288 PolarHBondContact O-N 3.45Å
285	D	95.6	Very high	96.2	Very high	86 Å²	86	41.6 Å²	41.6	46%	0.46	22%	0.22	S	C	.	.	H	α-helix	trans	-66.3	-38.3	179.4	-51.3	-47.5	0	0	0	111.4	M282 W283 S289	M282-D285 HydrophobicContact CB-CB 4.15Å; M282-D285 WeakPolarHBondContact CB-OD2 3.23Å; M282-D285 HydrophobicContact CE-CB 4.19Å; M282-D285 WeakPolarHBondContact CE-OD2 3.47Å; M282-D285 PolarHBondContact O-N 3.42Å; W283-D285 VanDerWaalsContact C-N 3.31Å; W283-D285 PolarHBondContact O-N 3.13Å; D285-S289 WeakPolarHBondContact O-CB 3.35Å; D285-S289 PolarHBondContact O-N 2.85Å
286	I	97.3	Very high	96	Very high	23 Å²	23	49.3 Å²	49.3	12%	0.118	26%	0.256	C	S	.	.	H	α-helix	trans	-64.2	-54.1	179.7	-74.1	164.1	0	0	0	111.6	M281 M282 W283 N284 I290 I312 Y316	M281-I286 HydrophobicContact CE-CD1 3.19Å; M281-I286 HydrophobicContact CE-CG1 4.49Å; M282-I286 WeakPolarHBondContact O-CG1 3.3Å; M282-I286 PolarHBondContact O-N 3.2Å; W283-I286 PolarHBondContact O-N 3.03Å; N284-I286 VanDerWaalsContact C-N 3.34Å; N284-I286 PolarHBondContact O-N 3.1Å; I286-I290 HydrophobicContact CG2-CD1 4.08Å; I286-I290 WeakPolarHBondContact O-CB 3.33Å; I286-I290 WeakPolarHBondContact O-CG1 3.39Å; I286-I290 PolarHBondContact O-N 3.46Å; I286-I312 HydrophobicContact CG2-CG1 4.4Å; I286-Y316 HydrophobicContact CG2-CD2 4.3Å; I286-Y316 HydrophobicContact CG2-CE2 3.71Å
287	W	97.5	Very high	95.7	Very high	1 Å²	1	51 Å²	51	0%	0.004	27%	0.268	C	S	.	.	H	α-helix	trans	-72.3	-35	-176.3	79.2	-104.1	0	0	0	111.4	L181 I184 F195 L198 L199 W283 N284 T291 V308 I312	L181-W287 HydrophobicContact CD2-CH2 3.56Å; L181-W287 HydrophobicContact CD2-CZ3 4.23Å; I184-W287 HydrophobicContact CD1-CZ3 4.34Å; F195-W287 HydrophobicContact CD1-CE3 4.27Å; F195-W287 AromaticContact CD1-CZ3 3.81Å; F195-W287 HydrophobicContact CD1-CZ3 3.81Å; F195-W287 HydrophobicContact CE1-CZ3 4.41Å; L198-W287 HydrophobicContact CB-CD2 3.99Å; L198-W287 HydrophobicContact CB-CE3 4.44Å; L198-W287 HydrophobicContact CB-CG 4.18Å; L198-W287 HydrophobicContact CD1-CB 4.29Å; L198-W287 HydrophobicContact CD1-CD2 3.95Å; L198-W287 HydrophobicContact CD1-CE3 3.77Å; L198-W287 HydrophobicContact CD1-CG 4.18Å; L199-W287 HydrophobicContact CD2-CZ2 3.65Å; L199-W287 HydrophobicContact CG-CZ2 4.03Å; W283-W287 AromaticContact CD1-CD1 3.76Å; W283-W287 AromaticContact CE2-CD1 3.69Å; W283-W287 HydrophobicContact CZ2-CB 4.46Å; W283-W287 AromaticContact NE1-CD1 3.44Å; W283-W287 AromaticContact NE1-NE1 3.88Å; W283-W287 PolarHBondContact O-N 2.8Å; N284-W287 PolarHBondContact OD1-NE1 3.13Å; W287-T291 WeakPolarHBondContact O-CB 3.29Å; W287-T291 PolarHBondContact O-N 3.38Å; W287-T291 PolarHBondContact O-OG1 2.83Å; W287-V308 HydrophobicContact CB-CG1 4.33Å; W287-I312 HydrophobicContact CB-CD1 3.55Å
288	L	97	Very high	95.4	Very high	50 Å²	50	50.8 Å²	50.8	26%	0.262	27%	0.266	S	S	.	.	H	α-helix	trans	-64.6	-45.7	174.1	-75.7	167.3	0	0	0	111.5	W183 N284 T291 A292	W183-L288 HydrophobicContact CZ2-CD2 3.94Å; N284-L288 WeakPolarHBondContact O-CB 3.44Å; N284-L288 WeakPolarHBondContact O-CD1 3.43Å; N284-L288 WeakPolarHBondContact O-CG 3.32Å; N284-L288 PolarHBondContact O-N 3.45Å; L288-T291 PolarHBondContact O-N 3.08Å; L288-A292 WeakPolarHBondContact O-CB 3.38Å; L288-A292 PolarHBondContact O-N 3.15Å
289	S	97.2	Very high	95.1	Very high	79 Å²	79	52.6 Å²	52.6	55%	0.552	29%	0.285	S	S	*	.	H	α-helix	trans	-61.6	-45.1	178.1	178.1	0	0	0	0	111.7	D285 T291 A292 H293	D285-S289 WeakPolarHBondContact O-CB 3.35Å; D285-S289 PolarHBondContact O-N 2.85Å; S289-T291 PolarHBondContact O-N 3.06Å; S289-A292 PolarHBondContact O-N 2.91Å; S289-H293 WeakPolarHBondContact O-CB 2.92Å; S289-H293 PolarHBondContact O-N 3.46Å
290	I	96.9	Very high	94.9	Very high	6 Å²	6	52.6 Å²	52.6	3%	0.031	29%	0.286	C	S	.	.	H	α-helix	trans	-62.4	-44.6	175	-74.2	168.6	0	0	0	110.6	I286 A292 H293 L294 V308 M311 I312 K315 Y316	I286-I290 HydrophobicContact CG2-CD1 4.08Å; I286-I290 WeakPolarHBondContact O-CB 3.33Å; I286-I290 WeakPolarHBondContact O-CG1 3.39Å; I286-I290 PolarHBondContact O-N 3.46Å; I290-A292 PolarHBondContact O-N 3.37Å; I290-H293 PolarHBondContact O-N 3.03Å; I290-L294 HydrophobicContact CG2-CD1 4.14Å; I290-L294 HydrophobicContact CG2-CG 4.42Å; I290-L294 VanDerWaalsContact O-CG 3.3Å; I290-L294 WeakPolarHBondContact O-CG 3.41Å; I290-L294 PolarHBondContact O-N 3.3Å; I290-V308 HydrophobicContact CG2-CG1 4.16Å; I290-M311 HydrophobicContact CG2-CB 3.59Å; I290-M311 HydrophobicContact CG2-CG 4.42Å; I290-I312 HydrophobicContact CD1-CB 4.23Å; I290-I312 HydrophobicContact CD1-CG1 3.42Å; I290-I312 VanDerWaalsContact CD1-CG1 3.42Å; I290-K315 HydrophobicContact CD1-CD 4.16Å; I290-K315 HydrophobicContact CG1-CD 4.4Å; I290-Y316 HydrophobicContact CD1-CE2 4.13Å
291	T	97.2	Very high	94.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.2	-46.2	177.6	-55.2	0	0	0	0	111.2	W183 I184 F195 W287 L288 S289 H293 L294 M295 L301 V308	W183-T291 HydrophobicContact CH2-CG2 3.5Å; W183-T291 HydrophobicContact CZ2-CG2 4.22Å; W183-T291 HydrophobicContact CZ3-CG2 3.96Å; I184-T291 HydrophobicContact CD1-CG2 3.84Å; I184-T291 HydrophobicContact CG1-CG2 3.86Å; I184-T291 HydrophobicContact CG2-CG2 4.18Å; F195-T291 HydrophobicContact CE1-CG2 4.03Å; W287-T291 WeakPolarHBondContact O-CB 3.29Å; W287-T291 PolarHBondContact O-N 3.38Å; W287-T291 PolarHBondContact O-OG1 2.83Å; L288-T291 PolarHBondContact O-N 3.08Å; S289-T291 PolarHBondContact O-N 3.06Å; T291-H293 VanDerWaalsContact C-N 3.34Å; T291-H293 PolarHBondContact O-N 3.29Å; T291-L294 PolarHBondContact O-N 2.97Å; T291-M295 HydrophobicContact CG2-CG 4.36Å; T291-M295 WeakPolarHBondContact O-CB 3.44Å; T291-M295 VanDerWaalsContact O-CG 3.26Å; T291-M295 WeakPolarHBondContact O-CG 3.27Å; T291-M295 PolarHBondContact O-N 3.17Å; T291-L301 HydrophobicContact CG2-CD1 4.43Å; T291-V308 HydrophobicContact CG2-CG2 4.21Å; T291-V308 WeakPolarHBondContact OG1-CG1 3.37Å; T291-V308 WeakPolarHBondContact OG1-CG2 3.36Å
292	A	96.8	Very high	94.9	Very high	30 Å²	30	45.6 Å²	45.6	25%	0.248	25%	0.251	C	S	.	.	H	α-helix	trans	-60.5	-43.7	178.3	0	0	0	0	0	111.6	W183 L288 S289 I290 M295 Q296	W183-A292 HydrophobicContact CH2-CB 4.06Å; W183-A292 HydrophobicContact CZ3-CB 4.27Å; L288-A292 WeakPolarHBondContact O-CB 3.38Å; L288-A292 PolarHBondContact O-N 3.15Å; S289-A292 PolarHBondContact O-N 2.91Å; I290-A292 PolarHBondContact O-N 3.37Å; A292-M295 PolarHBondContact O-N 2.98Å; A292-Q296 VanDerWaalsContact O-CG 3.31Å; A292-Q296 WeakPolarHBondContact O-CG 3.25Å; A292-Q296 PolarHBondContact O-N 3.3Å
293	H	95.7	Very high	95	Very high	96 Å²	96	42.3 Å²	42.3	44%	0.444	24%	0.236	S	C	.	.	H	α-helix	trans	-61.1	-45.6	175.7	179.3	71.6	0	0	0	112.4	S289 I290 T291 M295 Q296 S297	S289-H293 WeakPolarHBondContact O-CB 2.92Å; S289-H293 PolarHBondContact O-N 3.46Å; I290-H293 PolarHBondContact O-N 3.03Å; T291-H293 VanDerWaalsContact C-N 3.34Å; T291-H293 PolarHBondContact O-N 3.29Å; H293-M295 VanDerWaalsContact C-N 3.34Å; H293-M295 PolarHBondContact O-N 3.24Å; H293-Q296 PolarHBondContact O-N 3.13Å; H293-S297 WeakPolarHBondContact O-CB 3.39Å; H293-S297 PolarHBondContact O-N 3.28Å; H293-S297 PolarHBondContact O-OG 3.1Å
294	L	95	Very high	94.9	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-63.5	-42.1	177.3	-65	176.1	0	0	0	111.6	L257 I290 T291 Q296 S297 K298 L301 V308 M311	L257-L294 HydrophobicContact CB-CD2 4.28Å; L257-L294 HydrophobicContact CD1-CD2 4.15Å; L257-L294 HydrophobicContact CD2-CD2 4.15Å; L257-L294 HydrophobicContact CG-CD2 4.42Å; I290-L294 HydrophobicContact CG2-CD1 4.14Å; I290-L294 HydrophobicContact CG2-CG 4.42Å; I290-L294 VanDerWaalsContact O-CG 3.3Å; I290-L294 WeakPolarHBondContact O-CG 3.41Å; I290-L294 PolarHBondContact O-N 3.3Å; T291-L294 PolarHBondContact O-N 2.97Å; L294-Q296 PolarHBondContact O-N 3.04Å; L294-S297 WeakPolarHBondContact CA-OG 3.15Å; L294-S297 PolarHBondContact O-N 3.26Å; L294-S297 PolarHBondContact O-OG 2.93Å; L294-K298 PolarHBondContact O-N 3.33Å; L294-L301 HydrophobicContact CB-CD2 3.71Å; L294-L301 HydrophobicContact CD1-CD2 3.73Å; L294-L301 HydrophobicContact CG-CD2 4.36Å; L294-V308 HydrophobicContact CD1-CG2 3.84Å; L294-M311 HydrophobicContact CD1-CB 4.37Å; L294-M311 HydrophobicContact CD1-CG 3.71Å; L294-M311 HydrophobicContact CD2-CE 4.08Å; L294-M311 HydrophobicContact CD2-CG 3.9Å; L294-M311 HydrophobicContact CD2-SD 4.12Å; L294-M311 HydrophobicContact CG-CG 4.29Å
295	M	94.6	Very high	94.9	Very high	27 Å²	27	40.8 Å²	40.8	13%	0.133	23%	0.228	C	C	.	.	H	α-helix	trans	-61.8	-40.7	175.7	-73.7	-58.2	-55.2	0	0	112.1	W183 V185 T291 A292 H293 G299 L301	W183-M295 HydrophobicContact CE3-CG 4.23Å; W183-M295 HydrophobicContact CZ3-CB 4.16Å; W183-M295 HydrophobicContact CZ3-CG 3.75Å; V185-M295 HydrophobicContact CB-CE 3.78Å; V185-M295 HydrophobicContact CB-SD 4.49Å; V185-M295 HydrophobicContact CG2-CE 3.82Å; T291-M295 HydrophobicContact CG2-CG 4.36Å; T291-M295 WeakPolarHBondContact O-CB 3.44Å; T291-M295 VanDerWaalsContact O-CG 3.26Å; T291-M295 WeakPolarHBondContact O-CG 3.27Å; T291-M295 PolarHBondContact O-N 3.17Å; A292-M295 PolarHBondContact O-N 2.98Å; H293-M295 VanDerWaalsContact C-N 3.34Å; H293-M295 PolarHBondContact O-N 3.24Å; M295-G299 WeakPolarHBondContact CE-O 3.46Å; M295-G299 WeakPolarHBondContact O-CA 3.46Å; M295-G299 PolarHBondContact O-N 3.07Å; M295-L301 HydrophobicContact SD-CG 4.34Å
296	Q	93.6	Very high	95	Very high	161 Å²	161	37.6 Å²	37.6	75%	0.752	21%	0.21	S	C	*	.	H	α-helix	trans	-66	-39.5	174.2	-72.7	170.7	6.2	0	0	112.3	A292 H293 L294	A292-Q296 VanDerWaalsContact O-CG 3.31Å; A292-Q296 WeakPolarHBondContact O-CG 3.25Å; A292-Q296 PolarHBondContact O-N 3.3Å; H293-Q296 PolarHBondContact O-N 3.13Å; L294-Q296 PolarHBondContact O-N 3.04Å
297	S	90.1	Very high	94.9	Very high	73 Å²	73	36.5 Å²	36.5	51%	0.51	21%	0.205	S	C	.	.	H	α-helix	trans	-74	-38.6	-176.1	69.6	0	0	0	0	114.2	H293 L294	H293-S297 WeakPolarHBondContact O-CB 3.39Å; H293-S297 PolarHBondContact O-N 3.28Å; H293-S297 PolarHBondContact O-OG 3.1Å; L294-S297 WeakPolarHBondContact CA-OG 3.15Å; L294-S297 PolarHBondContact O-N 3.26Å; L294-S297 PolarHBondContact O-OG 2.93Å
298	K	90.3	Very high	94.9	Very high	45 Å²	45	36.4 Å²	36.4	20%	0.196	20%	0.204	C	C	.	.	H	α-helix	trans	-124.2	-16.9	-170.6	-170.9	172.9	173.6	179.8	0	114	S256 L257 L294 Y300	S256-K298 PolarHBondContact OG-NZ 2.78Å; L257-K298 HydrophobicContact CD2-CB 4.28Å; L257-K298 HydrophobicContact CD2-CD 3.44Å; L257-K298 VanDerWaalsContact CD2-CD 3.44Å; L294-K298 PolarHBondContact O-N 3.33Å; K298-Y300 HydrophobicContact CG-CD1 4.41Å; K298-Y300 HydrophobicContact CG-CE1 4.14Å; K298-Y300 WeakPolarHBondContact O-CD1 3.38Å; K298-Y300 PolarHBondContact O-N 2.79Å
299	G	92.1	Very high	95	Very high	38 Å²	38	34.1 Å²	34.1	39%	0.392	19%	0.192	S	C	.	.	S	Bend	trans	77.3	-12.4	-176.8	0	0	0	0	0	115.1	M295	M295-G299 WeakPolarHBondContact CE-O 3.46Å; M295-G299 WeakPolarHBondContact O-CA 3.46Å; M295-G299 PolarHBondContact O-N 3.07Å
300	Y	92.9	Very high	95	Very high	73 Å²	73	30.3 Å²	30.3	29%	0.286	17%	0.166	S	C	.	.	S	Bend	trans	-160.6	159.5	178.1	65.3	-87.7	0	0	0	112.2	V185 K187 K298 V302	V185-Y300 CarbonylContact O-C 3.58Å; V185-Y300 VanDerWaalsContact O-CA 3.3Å; V185-Y300 WeakPolarHBondContact O-CA 3.3Å; K187-Y300 HydrophobicContact CD-CD2 3.61Å; K187-Y300 HydrophobicContact CD-CE2 3.47Å; K187-Y300 VanDerWaalsContact CD-CE2 3.47Å; K187-Y300 VanDerWaalsContact CE-CD2 3.45Å; K187-Y300 HydrophobicContact CG-CD2 3.76Å; K187-Y300 HydrophobicContact CG-CE2 4.17Å; K187-Y300 HydrophobicContact CG-CG 4.47Å; K187-Y300 PolarHBondContact NZ-OH 3.21Å; K187-Y300 VanDerWaalsContact NZ-OH 3.1Å; K298-Y300 HydrophobicContact CG-CD1 4.41Å; K298-Y300 HydrophobicContact CG-CE1 4.14Å; K298-Y300 WeakPolarHBondContact O-CD1 3.38Å; K298-Y300 PolarHBondContact O-N 2.79Å; Y300-V302 HydrophobicContact CD2-CG2 4.48Å; Y300-V302 HydrophobicContact CE2-CG2 3.96Å
301	L	95.3	Very high	95	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-102.1	144.6	171.7	-57.6	174.8	0	0	0	110.4	I184 V185 S186 K187 F195 T291 L294 M295 D307 V308	I184-L301 HydrophobicContact CG2-CD1 4Å; V185-L301 PolarHBondContact O-N 2.76Å; S186-L301 CarbonylContact C-O 3.56Å; S186-L301 WeakPolarHBondContact CA-O 3.29Å; K187-L301 PolarHBondContact N-O 2.93Å; F195-L301 HydrophobicContact CE1-CD1 4.35Å; F195-L301 HydrophobicContact CE2-CD1 4.28Å; F195-L301 HydrophobicContact CZ-CD1 3.48Å; F195-L301 VanDerWaalsContact CZ-CD1 3.48Å; T291-L301 HydrophobicContact CG2-CD1 4.43Å; L294-L301 HydrophobicContact CB-CD2 3.71Å; L294-L301 HydrophobicContact CD1-CD2 3.73Å; L294-L301 HydrophobicContact CG-CD2 4.36Å; M295-L301 HydrophobicContact SD-CG 4.34Å; L301-D307 WeakPolarHBondContact CA-OD2 3.31Å; L301-D307 HydrophobicContact CB-CB 4.4Å; L301-D307 HydrophobicContact CD2-CB 3.99Å; L301-V308 HydrophobicContact CD1-CG2 3.81Å
302	V	94.1	Very high	95	Very high	27 Å²	27	30.3 Å²	30.3	16%	0.164	17%	0.166	C	C	.	.	S	Bend	trans	-85.3	-48.7	-179	179.1	0	0	0	0	110.6	H188 Y249 V253 Y300 D307	H188-V302 PolarHBondContact N-O 3.18Å; Y249-V302 HydrophobicContact CE1-CG1 4.45Å; V253-V302 HydrophobicContact CG1-CB 3.65Å; V253-V302 HydrophobicContact CG1-CG1 4.27Å; V253-V302 HydrophobicContact CG1-CG2 3.92Å; V253-V302 HydrophobicContact CG2-CB 4.08Å; V253-V302 HydrophobicContact CG2-CG1 3.75Å; V253-V302 HydrophobicContact CG2-CG2 4.37Å; Y300-V302 HydrophobicContact CD2-CG2 4.48Å; Y300-V302 HydrophobicContact CE2-CG2 3.96Å; V302-D307 PolarHBondContact N-OD2 3.02Å
303	T	93	Very high	95	Very high	27 Å²	27	29.1 Å²	29.1	17%	0.166	16%	0.155	C	C	.	.	S	Bend	trans	-111.1	18	-178.7	73.9	0	0	0	0	113.1	F250 Q306 D307	F250-T303 HydrophobicContact CD2-CG2 3.79Å; F250-T303 HydrophobicContact CE2-CG2 3.79Å; F250-T303 WeakPolarHBondContact CE2-OG1 3.31Å; T303-Q306 WeakPolarHBondContact OG1-CB 3.5Å; T303-D307 WeakPolarHBondContact CA-OD1 3.43Å; T303-D307 VanDerWaalsContact CB-OD1 3.31Å; T303-D307 WeakPolarHBondContact CB-OD1 3.42Å; T303-D307 PolarHBondContact N-OD1 3.32Å; T303-D307 PolarHBondContact OG1-OD1 2.92Å
304	G	94.9	Very high	94.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	-128.5	172.2	0	0	0	0	0	113.3	S186 F195 Q306 D307	S186-G304 WeakPolarHBondContact OG-CA 3.41Å; F195-G304 VanDerWaalsContact CE2-C 3.47Å; G304-Q306 PolarHBondContact O-N 2.9Å; G304-D307 WeakPolarHBondContact O-CB 3.44Å; G304-D307 PolarHBondContact O-N 3.31Å
305	E	95.9	Very high	94.9	Very high	13 Å²	13	32.2 Å²	32.2	6%	0.061	17%	0.167	C	C	.	.	H	α-helix	trans	-63.1	-27.3	-177.8	87.9	-69.8	-164.6	0	0	111.7	P194 F195 K197 L198 D307 V308 M309	P194-E305 HydrophobicContact CB-CB 4.45Å; P194-E305 HydrophobicContact CB-CG 4.01Å; P194-E305 VanDerWaalsContact CB-OE1 3.26Å; P194-E305 WeakPolarHBondContact CB-OE1 3.44Å; P194-E305 WeakPolarHBondContact CB-OE2 3.43Å; F195-E305 HydrophobicContact CD1-CB 4.24Å; F195-E305 HydrophobicContact CD2-CB 3.93Å; F195-E305 HydrophobicContact CE1-CB 4.28Å; F195-E305 HydrophobicContact CE2-CB 3.97Å; F195-E305 HydrophobicContact CG-CB 4.05Å; F195-E305 HydrophobicContact CZ-CB 4.12Å; K197-E305 IonicContact NZ-OE1 3.11Å; K197-E305 PolarHBondContact NZ-OE1 2.88Å; L198-E305 HydrophobicContact CD1-CB 4.31Å; L198-E305 HydrophobicContact CG-CB 4.47Å; E305-D307 VanDerWaalsContact C-N 3.34Å; E305-D307 PolarHBondContact O-N 3.36Å; E305-V308 PolarHBondContact O-N 2.76Å; E305-M309 WeakPolarHBondContact O-CG 3.17Å; E305-M309 PolarHBondContact O-N 3.18Å
306	Q	96.7	Very high	95	Very high	18 Å²	18	34.3 Å²	34.3	8%	0.084	17%	0.174	C	C	.	.	H	α-helix	trans	-62.8	-38.1	176.4	175.3	171.5	-47.6	0	0	112	E245 F250 Y266 N267 T303 G304 V308 M309 N310	E245-Q306 PolarHBondContact OE2-NE2 2.83Å; F250-Q306 HydrophobicContact CE1-CG 3.99Å; F250-Q306 HydrophobicContact CE2-CG 4.32Å; F250-Q306 HydrophobicContact CZ-CG 3.72Å; Y266-Q306 WeakPolarHBondContact O-CG 3.34Å; Y266-Q306 PolarHBondContact O-NE2 2.88Å; N267-Q306 PolarHBondContact ND2-OE1 2.88Å; T303-Q306 WeakPolarHBondContact OG1-CB 3.5Å; G304-Q306 PolarHBondContact O-N 2.9Å; Q306-V308 VanDerWaalsContact C-N 3.32Å; Q306-V308 PolarHBondContact O-N 2.93Å; Q306-M309 PolarHBondContact O-N 3.02Å; Q306-N310 WeakPolarHBondContact O-CB 3.47Å; Q306-N310 PolarHBondContact O-N 3.11Å; Q306-N310 PolarHBondContact O-ND2 2.66Å
307	D	96.7	Very high	95.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57.8	-47.9	173.2	-67.7	17.6	0	0	0	109.7	L257 L301 V302 T303 G304 E305 N310 M311	L257-D307 HydrophobicContact CD1-CB 4.19Å; L301-D307 WeakPolarHBondContact CA-OD2 3.31Å; L301-D307 HydrophobicContact CB-CB 4.4Å; L301-D307 HydrophobicContact CD2-CB 3.99Å; V302-D307 PolarHBondContact N-OD2 3.02Å; T303-D307 WeakPolarHBondContact CA-OD1 3.43Å; T303-D307 VanDerWaalsContact CB-OD1 3.31Å; T303-D307 WeakPolarHBondContact CB-OD1 3.42Å; T303-D307 PolarHBondContact N-OD1 3.32Å; T303-D307 PolarHBondContact OG1-OD1 2.92Å; G304-D307 WeakPolarHBondContact O-CB 3.44Å; G304-D307 PolarHBondContact O-N 3.31Å; E305-D307 VanDerWaalsContact C-N 3.34Å; E305-D307 PolarHBondContact O-N 3.36Å; D307-N310 PolarHBondContact O-N 3.04Å; D307-M311 VanDerWaalsContact O-CG 3.26Å; D307-M311 WeakPolarHBondContact O-CG 3.33Å; D307-M311 PolarHBondContact O-N 3.28Å
308	V	97.4	Very high	95.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-67.2	-44.8	-177.7	172.3	0	0	0	0	111.8	F195 L198 W287 I290 T291 L294 L301 E305 Q306 N310 M311 I312	F195-V308 HydrophobicContact CE1-CB 4.36Å; F195-V308 HydrophobicContact CE1-CG2 3.88Å; F195-V308 HydrophobicContact CZ-CG2 4.08Å; L198-V308 HydrophobicContact CD1-CG1 4.12Å; W287-V308 HydrophobicContact CB-CG1 4.33Å; I290-V308 HydrophobicContact CG2-CG1 4.16Å; T291-V308 HydrophobicContact CG2-CG2 4.21Å; T291-V308 WeakPolarHBondContact OG1-CG1 3.37Å; T291-V308 WeakPolarHBondContact OG1-CG2 3.36Å; L294-V308 HydrophobicContact CD1-CG2 3.84Å; L301-V308 HydrophobicContact CD1-CG2 3.81Å; E305-V308 PolarHBondContact O-N 2.76Å; Q306-V308 VanDerWaalsContact C-N 3.32Å; Q306-V308 PolarHBondContact O-N 2.93Å; V308-N310 VanDerWaalsContact C-N 3.31Å; V308-N310 PolarHBondContact O-N 3.12Å; V308-M311 WeakPolarHBondContact O-CB 3.3Å; V308-M311 PolarHBondContact O-N 3.38Å; V308-I312 HydrophobicContact CG1-CD1 3.84Å; V308-I312 HydrophobicContact CG1-CG1 4.47Å; V308-I312 VanDerWaalsContact O-CG1 3.31Å; V308-I312 WeakPolarHBondContact O-CG1 3.38Å; V308-I312 PolarHBondContact O-N 2.85Å
309	M	97.6	Very high	95.9	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-59.6	-42.6	176.4	-77.5	-60.7	-67.2	0	0	112.1	L198 I240 L271 F273 W283 E305 Q306 M311 I312 I313	L198-M309 HydrophobicContact CD2-CG 3.69Å; L198-M309 HydrophobicContact CD2-SD 3.31Å; L198-M309 WeakPolarHBondContact CD2-SD 3.26Å; I240-M309 HydrophobicContact CD1-CE 4.11Å; I240-M309 HydrophobicContact CG1-CE 4.49Å; I240-M309 HydrophobicContact CG2-CE 3.6Å; L271-M309 HydrophobicContact CD2-CE 4.31Å; F273-M309 HydrophobicContact CE1-CE 3.9Å; F273-M309 HydrophobicContact CZ-CE 4.03Å; F273-M309 HydrophobicContact CZ-SD 4.45Å; W283-M309 HydrophobicContact CH2-CE 4.45Å; W283-M309 HydrophobicContact CH2-SD 3.86Å; W283-M309 HydrophobicContact CZ2-SD 4.32Å; E305-M309 WeakPolarHBondContact O-CG 3.17Å; E305-M309 PolarHBondContact O-N 3.18Å; Q306-M309 PolarHBondContact O-N 3.02Å; M309-M311 VanDerWaalsContact C-N 3.35Å; M309-I312 PolarHBondContact O-N 3.14Å; M309-I312 HydrophobicContact SD-CD1 4.19Å; M309-I313 WeakPolarHBondContact O-CD1 3.19Å; M309-I313 WeakPolarHBondContact O-CG1 3.26Å; M309-I313 PolarHBondContact O-N 3.49Å
310	N	97.9	Very high	96.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-66.3	-37.5	177	-84.6	-90.7	0	0	0	112.1	F250 M254 W261 G265 Y266 Q306 D307 V308 I313 F314	F250-N310 HydrophobicContact CE1-CB 4.24Å; F250-N310 WeakPolarHBondContact CE1-ND2 3.44Å; F250-N310 HydrophobicContact CZ-CB 4.33Å; M254-N310 HydrophobicContact CE-CB 3.76Å; M254-N310 HydrophobicContact SD-CB 4.02Å; W261-N310 HydrophobicContact CH2-CB 3.73Å; W261-N310 HydrophobicContact CZ2-CB 4.3Å; G265-N310 VanDerWaalsContact CA-OD1 3.25Å; G265-N310 WeakPolarHBondContact CA-OD1 3.47Å; Y266-N310 WeakPolarHBondContact CD2-OD1 3.32Å; Y266-N310 PolarHBondContact N-OD1 2.84Å; Y266-N310 PolarHBondContact O-ND2 2.99Å; Q306-N310 WeakPolarHBondContact O-CB 3.47Å; Q306-N310 PolarHBondContact O-N 3.11Å; Q306-N310 PolarHBondContact O-ND2 2.66Å; D307-N310 PolarHBondContact O-N 3.04Å; V308-N310 VanDerWaalsContact C-N 3.31Å; V308-N310 PolarHBondContact O-N 3.12Å; N310-I313 PolarHBondContact O-N 3.23Å; N310-F314 VanDerWaalsContact O-CB 3.28Å; N310-F314 WeakPolarHBondContact O-CB 3.47Å; N310-F314 PolarHBondContact O-N 3.29Å
311	M	96.8	Very high	96.4	Very high	5 Å²	5	28.9 Å²	28.9	3%	0.025	13%	0.131	C	C	.	.	H	α-helix	trans	-64.3	-41.2	172.3	-72	-63.1	-54.2	0	0	112.9	M254 L257 I258 I290 L294 D307 V308 M309 F314 K315	M254-M311 HydrophobicContact CE-CG 3.88Å; M254-M311 HydrophobicContact CE-SD 3.7Å; L257-M311 HydrophobicContact CB-SD 4.32Å; I258-M311 HydrophobicContact CD1-CE 3.3Å; I258-M311 HydrophobicContact CD1-SD 3.2Å; I258-M311 WeakPolarHBondContact CD1-SD 3.39Å; I258-M311 HydrophobicContact CG1-CE 3.57Å; I258-M311 HydrophobicContact CG1-SD 3.48Å; I258-M311 WeakPolarHBondContact CG1-SD 3.39Å; I290-M311 HydrophobicContact CG2-CB 3.59Å; I290-M311 HydrophobicContact CG2-CG 4.42Å; L294-M311 HydrophobicContact CD1-CB 4.37Å; L294-M311 HydrophobicContact CD1-CG 3.71Å; L294-M311 HydrophobicContact CD2-CE 4.08Å; L294-M311 HydrophobicContact CD2-CG 3.9Å; L294-M311 HydrophobicContact CD2-SD 4.12Å; L294-M311 HydrophobicContact CG-CG 4.29Å; D307-M311 VanDerWaalsContact O-CG 3.26Å; D307-M311 WeakPolarHBondContact O-CG 3.33Å; D307-M311 PolarHBondContact O-N 3.28Å; V308-M311 WeakPolarHBondContact O-CB 3.3Å; V308-M311 PolarHBondContact O-N 3.38Å; M309-M311 VanDerWaalsContact C-N 3.35Å; M311-F314 PolarHBondContact O-N 3.47Å; M311-K315 PolarHBondContact O-N 3.28Å
312	I	97.2	Very high	96.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.2	-51.9	174.4	-70.3	160.8	0	0	0	109.8	I240 W283 I286 W287 I290 V308 M309 F314 K315 Y316 L319	I240-I312 HydrophobicContact CD1-CG2 4.45Å; W283-I312 HydrophobicContact CH2-CD1 3.9Å; W283-I312 HydrophobicContact CZ3-CD1 4.16Å; W283-I312 HydrophobicContact CZ3-CG2 4.12Å; I286-I312 HydrophobicContact CG2-CG1 4.4Å; W287-I312 HydrophobicContact CB-CD1 3.55Å; I290-I312 HydrophobicContact CD1-CB 4.23Å; I290-I312 HydrophobicContact CD1-CG1 3.42Å; I290-I312 VanDerWaalsContact CD1-CG1 3.42Å; V308-I312 HydrophobicContact CG1-CD1 3.84Å; V308-I312 HydrophobicContact CG1-CG1 4.47Å; V308-I312 VanDerWaalsContact O-CG1 3.31Å; V308-I312 WeakPolarHBondContact O-CG1 3.38Å; V308-I312 PolarHBondContact O-N 2.85Å; M309-I312 PolarHBondContact O-N 3.14Å; M309-I312 HydrophobicContact SD-CD1 4.19Å; I312-F314 VanDerWaalsContact C-N 3.27Å; I312-F314 PolarHBondContact O-N 3.44Å; I312-K315 PolarHBondContact O-N 3.35Å; I312-Y316 HydrophobicContact CG2-CD2 4.24Å; I312-Y316 WeakPolarHBondContact O-CB 3.43Å; I312-Y316 WeakPolarHBondContact O-CD2 3.28Å; I312-Y316 PolarHBondContact O-N 2.98Å; I312-L319 HydrophobicContact CG2-CD1 4.31Å
313	I	96.3	Very high	96.8	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.026	15%	0.145	C	C	.	.	H	α-helix	trans	-61.9	-36.9	-179.6	-70.7	160.7	0	0	0	111.2	I242 Y266 M309 N310 Y316 K317 L320	I242-I313 HydrophobicContact CD1-CD1 4.47Å; I242-I313 HydrophobicContact CG2-CD1 3.69Å; Y266-I313 HydrophobicContact CD2-CD1 3.99Å; Y266-I313 HydrophobicContact CD2-CG2 4.08Å; Y266-I313 HydrophobicContact CE2-CG2 3.62Å; Y266-I313 HydrophobicContact CG-CD1 4.38Å; M309-I313 WeakPolarHBondContact O-CD1 3.19Å; M309-I313 WeakPolarHBondContact O-CG1 3.26Å; M309-I313 PolarHBondContact O-N 3.49Å; N310-I313 PolarHBondContact O-N 3.23Å; I313-Y316 CarbonylContact O-C 3.52Å; I313-K317 VanDerWaalsContact O-CA 3.24Å; I313-K317 WeakPolarHBondContact O-CA 3.45Å; I313-K317 VanDerWaalsContact O-CG 3.23Å; I313-K317 WeakPolarHBondContact O-CG 3.44Å; I313-K317 PolarHBondContact O-N 3.22Å; I313-K317 VanDerWaalsContact O-N 3.13Å; I313-L320 HydrophobicContact CD1-CD1 4.1Å; I313-L320 HydrophobicContact CG1-CD1 4.37Å; I313-L320 HydrophobicContact CG2-CB 4.05Å; I313-L320 HydrophobicContact CG2-CD1 4.18Å; I313-L320 HydrophobicContact CG2-CD2 3.8Å; I313-L320 HydrophobicContact CG2-CG 4.22Å
314	F	95.3	Very high	97	Very high	56 Å²	56	32.5 Å²	32.5	25%	0.246	15%	0.147	C	C	.	.	H	α-helix	trans	-64.5	-43.8	176.2	179	-90.5	0	0	0	112.6	I258 D260 W261 N310 M311 I312	I258-F314 HydrophobicContact CD1-CD1 3.44Å; I258-F314 VanDerWaalsContact CD1-CD1 3.44Å; I258-F314 HydrophobicContact CD1-CD2 4.4Å; I258-F314 HydrophobicContact CD1-CE1 3.56Å; I258-F314 HydrophobicContact CD1-CE2 4.48Å; I258-F314 HydrophobicContact CD1-CG 3.9Å; I258-F314 HydrophobicContact CD1-CZ 4.09Å; I258-F314 HydrophobicContact CG2-CE1 4.36Å; I258-F314 HydrophobicContact CG2-CZ 4.38Å; D260-F314 WeakPolarHBondContact OD1-CZ 3.23Å; W261-F314 HydrophobicContact CE3-CB 4.35Å; W261-F314 AromaticContact CE3-CD2 3.66Å; W261-F314 HydrophobicContact CE3-CD2 3.66Å; W261-F314 HydrophobicContact CE3-CE2 4.21Å; W261-F314 HydrophobicContact CE3-CG 4.11Å; W261-F314 HydrophobicContact CH2-CB 4.21Å; W261-F314 HydrophobicContact CZ3-CB 3.51Å; W261-F314 AromaticContact CZ3-CD2 3.64Å; W261-F314 HydrophobicContact CZ3-CD2 3.64Å; W261-F314 AromaticContact CZ3-CG 3.77Å; W261-F314 HydrophobicContact CZ3-CG 3.77Å; N310-F314 VanDerWaalsContact O-CB 3.28Å; N310-F314 WeakPolarHBondContact O-CB 3.47Å; N310-F314 PolarHBondContact O-N 3.29Å; M311-F314 PolarHBondContact O-N 3.47Å; I312-F314 VanDerWaalsContact C-N 3.27Å; I312-F314 PolarHBondContact O-N 3.44Å
315	K	95.2	Very high	97.1	Very high	107 Å²	107	32.9 Å²	32.9	47%	0.465	15%	0.15	S	C	.	.	H	α-helix	trans	-73.7	-36.1	177.5	-71.9	-171.3	176.1	-171.7	0	112.8	I290 M311 I312	I290-K315 HydrophobicContact CD1-CD 4.16Å; I290-K315 HydrophobicContact CG1-CD 4.4Å; M311-K315 PolarHBondContact O-N 3.28Å; I312-K315 PolarHBondContact O-N 3.35Å
316	Y	96.3	Very high	97.2	Very high	71 Å²	71	33.4 Å²	33.4	28%	0.278	15%	0.153	S	C	.	.			trans	-125.1	59.4	-172	-53.6	-76.1	0	0	0	111.2	I286 I290 I312 I313 H318 L319	I286-Y316 HydrophobicContact CG2-CD2 4.3Å; I286-Y316 HydrophobicContact CG2-CE2 3.71Å; I290-Y316 HydrophobicContact CD1-CE2 4.13Å; I312-Y316 HydrophobicContact CG2-CD2 4.24Å; I312-Y316 WeakPolarHBondContact O-CB 3.43Å; I312-Y316 WeakPolarHBondContact O-CD2 3.28Å; I312-Y316 PolarHBondContact O-N 2.98Å; I313-Y316 CarbonylContact O-C 3.52Å; Y316-H318 PolarHBondContact O-N 2.89Å; Y316-L319 VanDerWaalsContact CB-CD1 3.45Å; Y316-L319 HydrophobicContact CG-CD1 4.15Å; Y316-L319 WeakPolarHBondContact O-CB 3.48Å; Y316-L319 WeakPolarHBondContact O-CG 3.48Å; Y316-L319 PolarHBondContact O-N 2.8Å
317	K	96	Very high	97.3	Very high	147 Å²	147	32.7 Å²	32.7	64%	0.639	15%	0.149	S	C	*	.	G	3₁₀ helix	trans	-54.7	-28.3	-175.2	-67.5	-179.6	-178.7	175.6	0	114.3	I313 L319 L320	I313-K317 VanDerWaalsContact O-CA 3.24Å; I313-K317 WeakPolarHBondContact O-CA 3.45Å; I313-K317 VanDerWaalsContact O-CG 3.23Å; I313-K317 WeakPolarHBondContact O-CG 3.44Å; I313-K317 PolarHBondContact O-N 3.22Å; I313-K317 VanDerWaalsContact O-N 3.13Å; K317-L319 PolarHBondContact O-N 2.82Å; K317-L320 WeakPolarHBondContact O-CB 3.29Å; K317-L320 PolarHBondContact O-N 3.38Å
318	H	97.4	Very high	97.4	Very high	77 Å²	77	32.8 Å²	32.8	36%	0.356	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-68	-14.4	179.1	63.4	-96.2	0	0	0	114	Y52 T237 Y316 L320	Y52-H318 PolarHBondContact OH-NE2 3.32Å; T237-H318 CarbonylContact C-O 3.55Å; T237-H318 PolarHBondContact OG1-O 2.63Å; Y316-H318 PolarHBondContact O-N 2.89Å; H318-L320 VanDerWaalsContact C-N 3.34Å
319	L	98	Very high	97.4	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.021	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-79.1	-20.9	175.8	-54.8	-179.3	0	0	0	112.6	Q238 M239 I240 M281 I312 Y316 K317	Q238-L319 WeakPolarHBondContact CA-O 3.32Å; M239-L319 HydrophobicContact CE-CD2 3.51Å; M239-L319 HydrophobicContact CG-CB 4.23Å; M239-L319 HydrophobicContact CG-CD2 4.01Å; M239-L319 PolarHBondContact N-O 2.83Å; M239-L319 HydrophobicContact SD-CD2 3.82Å; I240-L319 HydrophobicContact CD1-CB 4.37Å; I240-L319 HydrophobicContact CD1-CD1 4.46Å; I240-L319 PolarHBondContact N-O 3.38Å; M281-L319 HydrophobicContact CE-CD1 4.06Å; I312-L319 HydrophobicContact CG2-CD1 4.31Å; Y316-L319 VanDerWaalsContact CB-CD1 3.45Å; Y316-L319 HydrophobicContact CG-CD1 4.15Å; Y316-L319 WeakPolarHBondContact O-CB 3.48Å; Y316-L319 WeakPolarHBondContact O-CG 3.48Å; Y316-L319 PolarHBondContact O-N 2.8Å; K317-L319 PolarHBondContact O-N 2.82Å
320	L	98.3	Very high	97.4	Very high	23 Å²	23	32.9 Å²	32.9	12%	0.12	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	129.4	-168.6	171.9	71.3	0	0	0	112.3	Q238 I240 I242 Y266 I313 K317 H318	Q238-L320 VanDerWaalsContact CD-O 3.29Å; Q238-L320 WeakPolarHBondContact CG-O 3.38Å; Q238-L320 PolarHBondContact NE2-O 3.18Å; I240-L320 CarbonylContact O-C 3.46Å; I240-L320 WeakPolarHBondContact O-CA 2.96Å; I242-L320 HydrophobicContact CG2-CD1 3.44Å; I242-L320 VanDerWaalsContact CG2-CD1 3.44Å; Y266-L320 HydrophobicContact CD1-CD1 4.47Å; Y266-L320 HydrophobicContact CE1-CD1 4.09Å; Y266-L320 HydrophobicContact CE1-CD2 4.01Å; Y266-L320 HydrophobicContact CE2-CD2 4.03Å; Y266-L320 VanDerWaalsContact CZ-CD2 3.44Å; Y266-L320 WeakPolarHBondContact OH-CD2 3.33Å; I313-L320 HydrophobicContact CD1-CD1 4.1Å; I313-L320 HydrophobicContact CG1-CD1 4.37Å; I313-L320 HydrophobicContact CG2-CB 4.05Å; I313-L320 HydrophobicContact CG2-CD1 4.18Å; I313-L320 HydrophobicContact CG2-CD2 3.8Å; I313-L320 HydrophobicContact CG2-CG 4.22Å; K317-L320 WeakPolarHBondContact O-CB 3.29Å; K317-L320 PolarHBondContact O-N 3.38Å; H318-L320 VanDerWaalsContact C-N 3.34Å
321	Y	98.6	Very high	97.3	Very high	26 Å²	26	33 Å²	33	10%	0.102	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.2	155.5	178	-93.7	0	0	0	109.2	H230 R233 F234 I240 G241 I242 I323	H230-Y321 HydrophobicContact CB-CE1 3.88Å; H230-Y321 AromaticContact ND1-CE1 3.49Å; H230-Y321 WeakPolarHBondContact ND1-CE1 3.37Å; H230-Y321 AromaticContact ND1-CZ 3.53Å; H230-Y321 PolarHBondContact ND1-OH 3.35Å; R233-Y321 HydrophobicContact CB-CE2 3.73Å; R233-Y321 WeakPolarHBondContact CD-OH 3.33Å; F234-Y321 AromaticContact CD1-CD1 3.96Å; F234-Y321 HydrophobicContact CD1-CD1 3.96Å; F234-Y321 AromaticContact CD1-CD2 3.73Å; F234-Y321 HydrophobicContact CD1-CD2 3.73Å; F234-Y321 HydrophobicContact CD1-CE2 4.37Å; F234-Y321 AromaticContact CD1-CG 3.5Å; F234-Y321 HydrophobicContact CD1-CG 3.5Å; F234-Y321 VanDerWaalsContact CD1-CG 3.5Å; F234-Y321 VanDerWaalsContact CE1-CB 3.42Å; F234-Y321 AromaticContact CE1-CD1 3.41Å; F234-Y321 HydrophobicContact CE1-CD1 3.41Å; F234-Y321 VanDerWaalsContact CE1-CD1 3.41Å; F234-Y321 HydrophobicContact CE1-CD2 4.04Å; F234-Y321 HydrophobicContact CE1-CE1 4.17Å; F234-Y321 AromaticContact CE1-CG 3.33Å; F234-Y321 HydrophobicContact CE1-CG 3.33Å; F234-Y321 HydrophobicContact CZ-CD1 4.36Å; F234-Y321 HydrophobicContact CZ-CG 4.29Å; I240-Y321 PolarHBondContact O-N 2.95Å; G241-Y321 WeakPolarHBondContact CA-O 3.3Å; I242-Y321 PolarHBondContact N-O 3.41Å; I242-Y321 VanDerWaalsContact N-O 3.09Å; Y321-I323 HydrophobicContact CD1-CG1 4.17Å; Y321-I323 HydrophobicContact CE1-CG1 4.31Å; Y321-I323 PolarHBondContact O-N 2.96Å
322	E	98.2	Very high	97.2	Very high	93 Å²	93	33.4 Å²	33.4	44%	0.435	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	117.1	176.7	-174.3	174.7	116.3	0	0	110.1	L244 Y266	L244-E322 WeakPolarHBondContact CD1-OE1 3.31Å; L244-E322 HydrophobicContact CD2-CG 4.06Å; L244-E322 WeakPolarHBondContact CD2-OE2 3.41Å; L244-E322 HydrophobicContact CG-CG 4.14Å; Y266-E322 HydrophobicContact CE1-CB 4.5Å; Y266-E322 HydrophobicContact CE1-CG 4.08Å; Y266-E322 PolarHBondContact OH-OE2 2.87Å
323	I	98.2	Very high	96.9	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	136.1	176.8	-53.9	168.1	0	0	0	108.5	L227 I242 I270 L272 Y321 C325 W327	L227-I323 HydrophobicContact CD1-CG2 3.91Å; I242-I323 PolarHBondContact O-N 3.26Å; I270-I323 HydrophobicContact CG2-CD1 4.14Å; L272-I323 HydrophobicContact CD1-CD1 3.86Å; L272-I323 HydrophobicContact CD1-CG1 4Å; L272-I323 HydrophobicContact CG-CD1 3.71Å; L272-I323 HydrophobicContact CG-CG1 4.37Å; Y321-I323 HydrophobicContact CD1-CG1 4.17Å; Y321-I323 HydrophobicContact CE1-CG1 4.31Å; Y321-I323 PolarHBondContact O-N 2.96Å; I323-C325 PolarHBondContact O-N 3.33Å; I323-W327 HydrophobicContact CG2-CB 3.59Å; I323-W327 HydrophobicContact CG2-CG 3.77Å
324	P	98.1	Very high	96.7	Very high	34 Å²	34	40 Å²	40	22%	0.221	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-51.8	136.8	174.9	-27.6	34.8	0	0	0	112.6	H230 E326 W327	H230-P324 VanDerWaalsContact CE1-CD 3.4Å; H230-P324 WeakPolarHBondContact CE1-CD 3.12Å; P324-E326 VanDerWaalsContact CB-CD 3.43Å; P324-E326 HydrophobicContact CB-CG 4.47Å; P324-E326 WeakPolarHBondContact CB-OE1 3.36Å; P324-E326 WeakPolarHBondContact CB-OE2 3.37Å; P324-E326 PolarHBondContact O-N 3.43Å; P324-E326 VanDerWaalsContact O-N 3.08Å; P324-W327 WeakPolarHBondContact O-CB 3.12Å; P324-W327 PolarHBondContact O-N 3.28Å
325	C	97.8	Very high	96.7	Very high	8 Å²	8	37.9 Å²	37.9	5%	0.054	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-60.1	-27.8	-167.6	80.4	0	0	0	0	114	I323 W327 N328 C340	I323-C325 PolarHBondContact O-N 3.33Å; C325-W327 PolarHBondContact O-N 3.13Å; C325-W327 VanDerWaalsContact O-N 3.11Å; C325-N328 CarbonylContact O-C 3.44Å; C325-N328 PolarHBondContact O-N 2.9Å; C325-C340 HydrophobicContact CB-CB 3.58Å; C325-C340 WeakPolarHBondContact CB-SG 3.25Å; C325-C340 PolarHBondContact O-SG 3.3Å; C325-C340 VanDerWaalsContact O-SG 3.37Å; C325-C340 WeakPolarHBondContact SG-CA 3.4Å; C325-C340 WeakPolarHBondContact SG-CB 3.3Å; C325-C340 CovalentContact SG-SG 2.05Å; C325-C340 PolarHBondContact SG-SG 3.48Å
326	E	97.8	Very high	96.7	Very high	25 Å²	25	34.8 Å²	34.8	12%	0.117	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-62.9	-17.6	178.8	62.3	-91	-155.8	0	0	113	P324 N328 R360 Q361 K363 I364	P324-E326 VanDerWaalsContact CB-CD 3.43Å; P324-E326 HydrophobicContact CB-CG 4.47Å; P324-E326 WeakPolarHBondContact CB-OE1 3.36Å; P324-E326 WeakPolarHBondContact CB-OE2 3.37Å; P324-E326 PolarHBondContact O-N 3.43Å; P324-E326 VanDerWaalsContact O-N 3.08Å; E326-N328 VanDerWaalsContact C-N 3.33Å; E326-R360 HydrophobicContact CB-CB 4.45Å; E326-R360 WeakPolarHBondContact OE2-CD 3.1Å; E326-R360 IonicContact OE2-CZ 2.77Å; E326-R360 IonicContact OE2-NE 3.8Å; E326-R360 IonicContact OE2-NH1 2.97Å; E326-R360 PolarHBondContact OE2-NH1 2.76Å; E326-Q361 WeakPolarHBondContact CB-O 3.14Å; E326-K363 HydrophobicContact CB-CG 4.5Å; E326-K363 HydrophobicContact CG-CD 4.02Å; E326-K363 HydrophobicContact CG-CG 4Å; E326-K363 WeakPolarHBondContact O-CA 3.31Å; E326-K363 WeakPolarHBondContact O-CB 3.19Å; E326-K363 PolarHBondContact O-N 2.93Å; E326-I364 PolarHBondContact O-N 2.78Å; E326-I364 VanDerWaalsContact O-N 3.15Å
327	W	98.5	Very high	96.5	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.008	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-78.2	-11.3	171.3	-74	112.7	0	0	0	113.6	T222 E226 L227 H230 I270 I323 P324 C325 K363 I364	T222-W327 HydrophobicContact CG2-CH2 3.5Å; T222-W327 VanDerWaalsContact CG2-CH2 3.5Å; T222-W327 HydrophobicContact CG2-CZ2 4.37Å; T222-W327 HydrophobicContact CG2-CZ3 3.77Å; E226-W327 HydrophobicContact CB-CH2 3.7Å; E226-W327 HydrophobicContact CB-CZ2 3.61Å; L227-W327 HydrophobicContact CB-CD2 4.19Å; L227-W327 HydrophobicContact CB-CE3 3.89Å; L227-W327 HydrophobicContact CB-CH2 3.56Å; L227-W327 HydrophobicContact CB-CZ2 3.82Å; L227-W327 HydrophobicContact CB-CZ3 3.6Å; L227-W327 HydrophobicContact CD1-CB 4.49Å; L227-W327 HydrophobicContact CD1-CD2 3.83Å; L227-W327 HydrophobicContact CD1-CE3 4.15Å; L227-W327 HydrophobicContact CD1-CG 4.01Å; L227-W327 HydrophobicContact CD2-CE3 4.11Å; L227-W327 HydrophobicContact CD2-CZ3 4.42Å; L227-W327 HydrophobicContact CG-CD2 4.41Å; L227-W327 HydrophobicContact CG-CE3 4.26Å; L227-W327 HydrophobicContact CG-CZ3 4.43Å; L227-W327 VanDerWaalsContact N-CH2 3.28Å; L227-W327 VanDerWaalsContact N-CZ2 3.3Å; H230-W327 AromaticContact CD2-NE1 3.79Å; H230-W327 AromaticContact CE1-NE1 3.89Å; H230-W327 AromaticContact NE2-CD1 3.88Å; H230-W327 AromaticContact NE2-CE2 3.94Å; H230-W327 AromaticContact NE2-NE1 3.07Å; H230-W327 PolarHBondContact NE2-NE1 3.35Å; I270-W327 WeakPolarHBondContact CD1-O 3.37Å; I323-W327 HydrophobicContact CG2-CB 3.59Å; I323-W327 HydrophobicContact CG2-CG 3.77Å; P324-W327 WeakPolarHBondContact O-CB 3.12Å; P324-W327 PolarHBondContact O-N 3.28Å; C325-W327 PolarHBondContact O-N 3.13Å; C325-W327 VanDerWaalsContact O-N 3.11Å; W327-K363 HydrophobicContact CD2-CB 3.89Å; W327-K363 HydrophobicContact CD2-CD 3.74Å; W327-K363 HydrophobicContact CD2-CG 4.47Å; W327-K363 HydrophobicContact CE3-CB 3.64Å; W327-K363 HydrophobicContact CE3-CD 4.15Å; W327-K363 HydrophobicContact CG-CB 4.5Å; W327-K363 HydrophobicContact CG-CD 4.36Å; W327-K363 HydrophobicContact CH2-CB 4.31Å; W327-K363 HydrophobicContact CH2-CD 3.83Å; W327-K363 HydrophobicContact CZ2-CD 3.42Å; W327-K363 VanDerWaalsContact CZ2-CD 3.42Å; W327-K363 HydrophobicContact CZ3-CB 3.84Å; W327-K363 HydrophobicContact CZ3-CD 4.18Å; W327-I364 HydrophobicContact CE3-CD1 3.65Å; W327-I364 HydrophobicContact CE3-CG1 3.77Å; W327-I364 HydrophobicContact CZ3-CD1 3.98Å; W327-I364 HydrophobicContact CZ3-CG1 4.08Å; W327-I364 VanDerWaalsContact O-CB 3.31Å; W327-I364 WeakPolarHBondContact O-CB 3.35Å
328	N	98.2	Very high	96.4	Very high	2 Å²	2	33 Å²	33	1%	0.011	18%	0.18	C	C	.	.	S	Bend	trans	-147.2	64.5	177.8	-174.8	6	0	0	0	110	Q246 N267 I270 C325 E326 Q330 H366	Q246-N328 PolarHBondContact NE2-O 2.82Å; N267-N328 PolarHBondContact OD1-ND2 2.99Å; N267-N328 VanDerWaalsContact OD1-ND2 3.07Å; I270-N328 HydrophobicContact CD1-CB 4.26Å; I270-N328 HydrophobicContact CG1-CB 4.36Å; C325-N328 CarbonylContact O-C 3.44Å; C325-N328 PolarHBondContact O-N 2.9Å; E326-N328 VanDerWaalsContact C-N 3.33Å; N328-Q330 PolarHBondContact ND2-NE2 3.03Å; N328-Q330 PolarHBondContact O-N 3.06Å; N328-Q330 PolarHBondContact O-NE2 3.03Å; N328-Q330 VanDerWaalsContact O-NE2 3.16Å; N328-H366 VanDerWaalsContact OD1-CB 3.24Å; N328-H366 WeakPolarHBondContact OD1-CB 3.13Å; N328-H366 PolarHBondContact OD1-ND1 2.94Å
329	V	98	Very high	96.2	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.012	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	112.1	178	179.9	0	0	0	0	109.5	V342 P362 I364 I365 H366 I399	V329-V342 HydrophobicContact CG1-CG2 4.21Å; V329-V342 HydrophobicContact CG2-CG1 4.14Å; V329-P362 HydrophobicContact CG2-CB 3.92Å; V329-I364 PolarHBondContact N-O 3.46Å; V329-I364 VanDerWaalsContact N-O 3.09Å; V329-I365 HydrophobicContact CB-CD1 3.97Å; V329-I365 HydrophobicContact CG1-CD1 4.06Å; V329-H366 PolarHBondContact O-N 3.19Å; V329-I399 HydrophobicContact CG1-CD1 4.05Å
330	Q	97.5	Very high	96.2	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.009	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	133.2	-166.2	-71.6	150.1	43	0	0	112.4	L244 E245 Q246 N328 S335 H366	L244-Q330 PolarHBondContact O-NE2 3.44Å; E245-Q330 PolarHBondContact OE1-OE1 3.38Å; Q246-Q330 HydrophobicContact CB-CB 4.2Å; Q246-Q330 HydrophobicContact CG-CB 4.39Å; Q246-Q330 VanDerWaalsContact OE1-N 3.09Å; N328-Q330 PolarHBondContact ND2-NE2 3.03Å; N328-Q330 PolarHBondContact O-N 3.06Å; N328-Q330 PolarHBondContact O-NE2 3.03Å; N328-Q330 VanDerWaalsContact O-NE2 3.16Å; Q330-S335 WeakPolarHBondContact O-CB 3.18Å; Q330-S335 PolarHBondContact O-OG 3.2Å; Q330-H366 HydrophobicContact CG-CB 4.45Å
331	L	95.9	Very high	96.1	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	19%	0.188	C	C	.	.			trans	-103.4	11	-177.7	-56.1	-173	0	0	0	115	I365 H366 N368 H369 R396 I399 Y400 L403	L331-I365 HydrophobicContact CD1-CG2 3.59Å; L331-I365 HydrophobicContact CG-CG2 4.06Å; L331-H366 PolarHBondContact N-O 3.37Å; L331-H366 VanDerWaalsContact N-O 3.08Å; L331-N368 PolarHBondContact N-OD1 2.74Å; L331-H369 WeakPolarHBondContact O-CB 3.13Å; L331-H369 PolarHBondContact O-CD2 3.4Å; L331-H369 VanDerWaalsContact O-CD2 3.28Å; L331-R396 HydrophobicContact CD2-CG 4.37Å; L331-R396 PolarHBondContact O-NH1 3.04Å; L331-I399 HydrophobicContact CD1-CG2 4.45Å; L331-I399 HydrophobicContact CD2-CB 3.9Å; L331-I399 HydrophobicContact CD2-CG2 3.65Å; L331-Y400 HydrophobicContact CB-CD2 4.32Å; L331-Y400 HydrophobicContact CD1-CD2 3.85Å; L331-L403 HydrophobicContact CD1-CB 4.39Å; L331-L403 HydrophobicContact CD1-CD2 3.4Å; L331-L403 VanDerWaalsContact CD1-CD2 3.4Å; L331-L403 HydrophobicContact CD1-CG 4.49Å
332	S	94.1	Very high	96	Very high	14 Å²	14	33.5 Å²	33.5	10%	0.098	18%	0.183	C	C	.	.	S	Bend	trans	-54.6	148.2	175	77.8	0	0	0	0	111.5	N247 G334 S335 N368 R396	N247-S332 PolarHBondContact ND2-OG 3.24Å; S332-G334 PolarHBondContact O-N 3.3Å; S332-S335 PolarHBondContact N-OG 3.25Å; S332-S335 WeakPolarHBondContact O-CB 3.32Å; S332-S335 PolarHBondContact O-N 2.9Å; S332-S335 VanDerWaalsContact O-N 3.07Å; S332-S335 PolarHBondContact O-OG 2.9Å; S332-S335 PolarHBondContact OG-OG 3.02Å; S332-N368 PolarHBondContact N-OD1 2.96Å; S332-R396 WeakPolarHBondContact O-CD 3.48Å
333	D	91.3	Very high	96	Very high	105 Å²	105	29 Å²	29	56%	0.561	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	131.3	178.7	-165.2	35.8	0	0	0	111	N247 R396	N247-D333 PolarHBondContact ND2-O 3Å; D333-R396 IonicContact OD1-CZ 2.68Å; D333-R396 IonicContact OD1-NE 2.69Å; D333-R396 IonicContact OD1-NH2 3.82Å; D333-R396 PolarHBondContact OD1-NH2 3.17Å
334	G	92.6	Very high	95.9	Very high	40 Å²	40	29.6 Å²	29.6	41%	0.412	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	1.7	-171.5	0	0	0	0	0	116	P248 S332 D336	P248-G334 VanDerWaalsContact CD-O 3.22Å; P248-G334 WeakPolarHBondContact CD-O 3.3Å; S332-G334 PolarHBondContact O-N 3.3Å; G334-D336 PolarHBondContact O-N 3.03Å
335	S	94.9	Very high	95.7	Very high	10 Å²	10	28.2 Å²	28.2	7%	0.07	16%	0.155	C	C	.	.			trans	-53.3	127.4	170.3	-68.2	0	0	0	0	111	Q330 S332 P337	Q330-S335 WeakPolarHBondContact O-CB 3.18Å; Q330-S335 PolarHBondContact O-OG 3.2Å; S332-S335 PolarHBondContact N-OG 3.25Å; S332-S335 WeakPolarHBondContact O-CB 3.32Å; S332-S335 PolarHBondContact O-N 2.9Å; S332-S335 VanDerWaalsContact O-N 3.07Å; S332-S335 PolarHBondContact O-OG 2.9Å; S332-S335 PolarHBondContact OG-OG 3.02Å; S335-P337 WeakPolarHBondContact O-CD 3.42Å
336	D	94.7	Very high	95.4	Very high	43 Å²	43	29 Å²	29	23%	0.23	16%	0.161	C	C	.	.			trans	-84	111.9	-178.7	-176.9	-1.8	0	0	0	110.7	Q246 Y264 G334 E338 R339	Q246-D336 WeakPolarHBondContact O-CB 3.43Å; Q246-D336 PolarHBondContact O-N 2.86Å; Y264-D336 HydrophobicContact CE2-CB 3.96Å; Y264-D336 PolarHBondContact OH-OD2 2.67Å; G334-D336 PolarHBondContact O-N 3.03Å; D336-E338 PolarHBondContact O-N 2.91Å; D336-E338 WeakPolarHBondContact OD1-CB 3.41Å; D336-E338 PolarHBondContact OD1-N 3.18Å; D336-E338 VanDerWaalsContact OD1-N 3.12Å; D336-R339 HydrophobicContact CB-CB 4.24Å; D336-R339 VanDerWaalsContact O-CB 3.3Å; D336-R339 WeakPolarHBondContact O-CB 3.48Å; D336-R339 PolarHBondContact O-N 2.81Å
337	P	92.3	Very high	95	Very high	43 Å²	43	30.2 Å²	30.2	28%	0.279	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-61	-27.1	-179.4	-22.4	34.4	0	0	0	113.6	S335 R339 C340 P341 L393	S335-P337 WeakPolarHBondContact O-CD 3.42Å; P337-R339 PolarHBondContact O-N 2.97Å; P337-C340 CarbonylContact O-C 3.54Å; P337-C340 PolarHBondContact O-N 3.25Å; P337-P341 WeakPolarHBondContact O-CA 3.35Å; P337-L393 HydrophobicContact CB-CD1 4.46Å
338	E	93.3	Very high	94.5	Very high	137 Å²	137	32.3 Å²	32.3	64%	0.64	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-70.5	-19.8	177.8	-62.4	-61.1	148.3	0	0	111.9	D336 C340 L393	D336-E338 PolarHBondContact O-N 2.91Å; D336-E338 WeakPolarHBondContact OD1-CB 3.41Å; D336-E338 PolarHBondContact OD1-N 3.18Å; D336-E338 VanDerWaalsContact OD1-N 3.12Å; E338-C340 VanDerWaalsContact C-N 3.32Å; E338-L393 WeakPolarHBondContact OE1-CD2 3.49Å
339	R	94.7	Very high	94.2	Very high	88 Å²	88	33.4 Å²	33.4	33%	0.332	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-74.7	-26.2	176.3	-165.7	59.1	172.1	153.7	3.2	112.2	E245 Q246 Y264 D336 P337	E245-R339 WeakPolarHBondContact O-CG 3.34Å; Q246-R339 HydrophobicContact CB-CB 4.38Å; Q246-R339 HydrophobicContact CB-CG 4.43Å; Q246-R339 HydrophobicContact CG-CB 4.3Å; Q246-R339 HydrophobicContact CG-CG 4.14Å; Y264-R339 HydrophobicContact CD2-CG 4.04Å; Y264-R339 HydrophobicContact CE2-CB 4.32Å; Y264-R339 HydrophobicContact CE2-CG 4.25Å; D336-R339 HydrophobicContact CB-CB 4.24Å; D336-R339 VanDerWaalsContact O-CB 3.3Å; D336-R339 WeakPolarHBondContact O-CB 3.48Å; D336-R339 PolarHBondContact O-N 2.81Å; P337-R339 PolarHBondContact O-N 2.97Å
340	C	96.6	Very high	93.9	Very high	4 Å²	4	34.5 Å²	34.5	3%	0.027	20%	0.195	C	C	.	.	S	Bend	trans	-144.5	85	169.1	-166.4	0	0	0	0	111.5	Q246 C325 P337 E338 V342	Q246-C340 HydrophobicContact CG-CB 4.48Å; Q246-C340 VanDerWaalsContact NE2-CB 3.34Å; C325-C340 HydrophobicContact CB-CB 3.58Å; C325-C340 WeakPolarHBondContact CB-SG 3.25Å; C325-C340 PolarHBondContact O-SG 3.3Å; C325-C340 VanDerWaalsContact O-SG 3.37Å; C325-C340 WeakPolarHBondContact SG-CA 3.4Å; C325-C340 WeakPolarHBondContact SG-CB 3.3Å; C325-C340 CovalentContact SG-SG 2.05Å; C325-C340 PolarHBondContact SG-SG 3.48Å; P337-C340 CarbonylContact O-C 3.54Å; P337-C340 PolarHBondContact O-N 3.25Å; E338-C340 VanDerWaalsContact C-N 3.32Å; C340-V342 PolarHBondContact O-N 2.95Å; C340-V342 VanDerWaalsContact O-N 3.11Å
341	P	96.3	Very high	93.4	Very high	47 Å²	47	38.9 Å²	38.9	31%	0.305	21%	0.211	S	C	.	.			trans	-73.4	109.6	-176	28	-33.3	0	0	0	110.6	P337 L393	P337-P341 WeakPolarHBondContact O-CA 3.35Å; P341-L393 HydrophobicContact CB-CD1 3.66Å
342	V	97.3	Very high	93.2	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.006	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-128.3	144.6	-179.2	-62.4	0	0	0	0	111.8	V329 C340 R360 L394 I399	V329-V342 HydrophobicContact CG1-CG2 4.21Å; V329-V342 HydrophobicContact CG2-CG1 4.14Å; C340-V342 PolarHBondContact O-N 2.95Å; C340-V342 VanDerWaalsContact O-N 3.11Å; V342-R360 WeakPolarHBondContact CA-O 3.47Å; V342-R360 WeakPolarHBondContact CB-O 3.39Å; V342-R360 HydrophobicContact CG1-CB 4.4Å; V342-L394 PolarHBondContact O-N 3.44Å; V342-I399 HydrophobicContact CG2-CD1 3.81Å
343	S	97.2	Very high	93.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.255	C	S	.	.			trans	-106	162.8	156.3	62.8	0	0	0	0	108	L345 R360 Q361 P362 D391 V392	S343-L345 WeakPolarHBondContact OG-CD1 3.26Å; S343-R360 PolarHBondContact N-O 2.81Å; S343-Q361 PolarHBondContact O-NE2 3.32Å; S343-Q361 PolarHBondContact O-OE1 2.89Å; S343-Q361 PolarHBondContact OG-NE2 3.46Å; S343-P362 WeakPolarHBondContact O-CD 3.43Å; S343-D391 VanDerWaalsContact CB-OD1 3.31Å; S343-D391 WeakPolarHBondContact CB-OD1 3.22Å; S343-D391 PolarHBondContact OG-OD1 3.29Å; S343-V392 VanDerWaalsContact CB-O 3.24Å; S343-V392 WeakPolarHBondContact CB-O 3.41Å
344	W	96.4	Very high	93.2	Very high	14 Å²	14	51 Å²	51	5%	0.053	26%	0.261	C	S	.	.			trans	-135.8	85.3	-179.9	-166.8	0.6	0	0	0	108	N221 P362 I365 I387 L394 I399 K402 L403 V406	N221-W344 VanDerWaalsContact ND2-CE2 3.27Å; N221-W344 WeakPolarHBondContact ND2-CZ2 3.26Å; N221-W344 PolarHBondContact ND2-NE1 3.49Å; N221-W344 WeakPolarHBondContact OD1-CZ2 3.5Å; W344-P362 HydrophobicContact CB-CG 3.89Å; W344-P362 HydrophobicContact CD2-CG 3.67Å; W344-P362 HydrophobicContact CE3-CG 4.28Å; W344-P362 HydrophobicContact CG-CG 3.49Å; W344-P362 VanDerWaalsContact CG-CG 3.49Å; W344-I365 HydrophobicContact CE3-CD1 4.2Å; W344-I365 HydrophobicContact CH2-CD1 4.11Å; W344-I365 HydrophobicContact CH2-CG1 3.57Å; W344-I365 HydrophobicContact CZ2-CG1 4.07Å; W344-I365 HydrophobicContact CZ3-CD1 3.88Å; W344-I365 HydrophobicContact CZ3-CG1 3.84Å; W344-I387 HydrophobicContact CB-CG2 4.43Å; W344-I387 WeakPolarHBondContact O-CG2 3.4Å; W344-L394 HydrophobicContact CB-CD1 3.62Å; W344-I399 HydrophobicContact CE3-CG2 3.89Å; W344-I399 HydrophobicContact CZ3-CG2 3.8Å; W344-K402 HydrophobicContact CB-CD 3.98Å; W344-K402 VanDerWaalsContact CD1-CE 3.47Å; W344-K402 HydrophobicContact CD2-CD 3.49Å; W344-K402 VanDerWaalsContact CD2-CD 3.49Å; W344-K402 HydrophobicContact CD2-CG 3.86Å; W344-K402 HydrophobicContact CE3-CB 3.89Å; W344-K402 HydrophobicContact CE3-CD 3.63Å; W344-K402 HydrophobicContact CE3-CG 3.58Å; W344-K402 HydrophobicContact CG-CD 3.64Å; W344-K402 HydrophobicContact CH2-CG 4.17Å; W344-K402 HydrophobicContact CZ2-CG 4.42Å; W344-K402 HydrophobicContact CZ3-CB 3.97Å; W344-K402 HydrophobicContact CZ3-CD 4.31Å; W344-K402 HydrophobicContact CZ3-CG 3.76Å; W344-K402 PolarHBondContact O-NZ 3.36Å; W344-L403 HydrophobicContact CH2-CB 4.34Å; W344-L403 HydrophobicContact CZ3-CB 4.27Å; W344-V406 HydrophobicContact CH2-CB 4.42Å; W344-V406 HydrophobicContact CH2-CG2 4.13Å; W344-V406 HydrophobicContact CZ2-CB 4.4Å; W344-V406 HydrophobicContact CZ2-CG1 4.42Å; W344-V406 HydrophobicContact CZ2-CG2 3.86Å
345	L	94.9	Very high	93	Very high	5 Å²	5	53.8 Å²	53.8	3%	0.026	26%	0.26	C	S	.	.			trans	-81.2	161.2	179.5	-64.3	87.5	0	0	0	110.2	S343 E349 L350 T357 Q361 D391 K402	S343-L345 WeakPolarHBondContact OG-CD1 3.26Å; L345-E349 HydrophobicContact CB-CB 4.29Å; L345-E349 HydrophobicContact CB-CG 4.32Å; L345-E349 HydrophobicContact CD2-CB 4.33Å; L345-E349 HydrophobicContact CD2-CG 3.49Å; L345-E349 VanDerWaalsContact CD2-CG 3.49Å; L345-E349 HydrophobicContact CG-CG 4.4Å; L345-L350 HydrophobicContact CB-CD2 4Å; L345-L350 HydrophobicContact CB-CG 3.97Å; L345-L350 HydrophobicContact CD1-CD2 4.36Å; L345-T357 HydrophobicContact CD1-CG2 4.05Å; L345-Q361 VanDerWaalsContact CD1-OE1 3.29Å; L345-D391 HydrophobicContact CD1-CB 4.09Å; L345-D391 HydrophobicContact CD2-CB 4.2Å; L345-K402 PolarHBondContact O-NZ 3.25Å
346	S	91.8	Very high	93	Very high	25 Å²	25	57.6 Å²	57.6	18%	0.175	29%	0.286	C	S	.	.			trans	-71.3	159.1	168.8	63	0	0	0	0	110.7	A348 E349 L350 D388	S346-A348 VanDerWaalsContact C-N 3.28Å; S346-A348 PolarHBondContact O-N 2.83Å; S346-E349 PolarHBondContact O-N 2.9Å; S346-E349 WeakPolarHBondContact OG-CB 3.4Å; S346-E349 PolarHBondContact OG-N 3.23Å; S346-L350 WeakPolarHBondContact O-CG 3.39Å; S346-L350 PolarHBondContact O-N 2.89Å; S346-D388 PolarHBondContact N-O 3.42Å; S346-D388 PolarHBondContact OG-O 3.21Å
347	H	87.9	Confident	92.9	Very high	50 Å²	50	57.6 Å²	57.6	23%	0.231	29%	0.288	C	S	.	.	H	α-helix	trans	-59.2	-41.3	175.5	-174.8	79.4	0	0	0	112.1	E349 L350 R351 Y355	H347-E349 VanDerWaalsContact C-N 3.3Å; H347-E349 PolarHBondContact O-N 2.93Å; H347-L350 PolarHBondContact O-N 3.27Å; H347-R351 WeakPolarHBondContact O-CB 3.46Å; H347-R351 PolarHBondContact O-N 3.3Å; H347-Y355 PolarHBondContact CE1-OH 3.13Å; H347-Y355 PolarHBondContact NE2-OH 3.22Å
348	A	87.8	Confident	93	Very high	45 Å²	45	62.6 Å²	62.6	37%	0.372	31%	0.31	S	S	.	.	H	α-helix	trans	-59.3	-41.3	177	0	0	0	0	0	111.9	S346 R351 K352	S346-A348 VanDerWaalsContact C-N 3.28Å; S346-A348 PolarHBondContact O-N 2.83Å; A348-R351 PolarHBondContact O-N 3.36Å; A348-K352 WeakPolarHBondContact O-CG 3.4Å; A348-K352 PolarHBondContact O-N 3.3Å; A348-K352 VanDerWaalsContact O-N 3.09Å
349	E	92.1	Very high	93	Very high	26 Å²	26	57.5 Å²	57.5	12%	0.121	29%	0.288	C	S	.	.	H	α-helix	trans	-72.1	-43	178.5	-175.2	63.6	-164.9	0	0	112.6	L345 S346 H347 R351 K352 R353 D388	L345-E349 HydrophobicContact CB-CB 4.29Å; L345-E349 HydrophobicContact CB-CG 4.32Å; L345-E349 HydrophobicContact CD2-CB 4.33Å; L345-E349 HydrophobicContact CD2-CG 3.49Å; L345-E349 VanDerWaalsContact CD2-CG 3.49Å; L345-E349 HydrophobicContact CG-CG 4.4Å; S346-E349 PolarHBondContact O-N 2.9Å; S346-E349 WeakPolarHBondContact OG-CB 3.4Å; S346-E349 PolarHBondContact OG-N 3.23Å; H347-E349 VanDerWaalsContact C-N 3.3Å; H347-E349 PolarHBondContact O-N 2.93Å; E349-R351 PolarHBondContact O-N 2.78Å; E349-K352 PolarHBondContact O-N 2.89Å; E349-K352 IonicContact OE2-NZ 3.81Å; E349-R353 WeakPolarHBondContact O-CG 3.37Å; E349-R353 PolarHBondContact O-N 3.48Å; E349-R353 VanDerWaalsContact O-N 3.13Å; E349-R353 IonicContact OE1-CZ 3.08Å; E349-R353 VanDerWaalsContact OE1-CZ 3.27Å; E349-R353 IonicContact OE1-NE 2.67Å; E349-R353 PolarHBondContact OE1-NE 3.44Å; E349-R353 IonicContact OE1-NH2 2.66Å; E349-R353 PolarHBondContact OE1-NH2 3.11Å; E349-D388 VanDerWaalsContact CB-O 3.32Å; E349-D388 WeakPolarHBondContact CB-O 3.32Å
350	L	92	Very high	93	Very high	25 Å²	25	59.7 Å²	59.7	13%	0.131	30%	0.296	C	S	.	.	H	α-helix	trans	-55.1	-43.4	173.2	-71.8	172.3	0	0	0	110.9	L345 S346 H347 R353 N354 Y355 T357 Q361	L345-L350 HydrophobicContact CB-CD2 4Å; L345-L350 HydrophobicContact CB-CG 3.97Å; L345-L350 HydrophobicContact CD1-CD2 4.36Å; S346-L350 WeakPolarHBondContact O-CG 3.39Å; S346-L350 PolarHBondContact O-N 2.89Å; H347-L350 PolarHBondContact O-N 3.27Å; L350-R353 CarbonylContact O-C 3.59Å; L350-R353 PolarHBondContact O-N 3.34Å; L350-R353 VanDerWaalsContact O-N 3.15Å; L350-N354 PolarHBondContact O-N 2.77Å; L350-Y355 HydrophobicContact CB-CD1 3.82Å; L350-Y355 HydrophobicContact CB-CE1 4Å; L350-Y355 WeakPolarHBondContact O-CA 3.31Å; L350-Y355 PolarHBondContact O-N 3.24Å; L350-T357 HydrophobicContact CD2-CG2 3.53Å; L350-Q361 HydrophobicContact CD1-CG 4.33Å; L350-Q361 HydrophobicContact CD2-CG 3.84Å
351	R	88	Confident	93.1	Very high	94 Å²	94	61.3 Å²	61.3	36%	0.355	30%	0.303	S	S	.	.	H	α-helix	trans	-64.1	-44.1	178.2	-175	175.3	170.9	-147.4	-10.7	112.7	D126 H347 A348 E349 R353 N354	D126-R351 IonicContact OD1-NH2 3.68Å; D126-R351 IonicContact OD2-CZ 3.96Å; D126-R351 IonicContact OD2-NH1 3.9Å; D126-R351 PolarHBondContact OD2-NH1 3.22Å; D126-R351 IonicContact OD2-NH2 3.51Å; D126-R351 PolarHBondContact OD2-NH2 2.96Å; H347-R351 WeakPolarHBondContact O-CB 3.46Å; H347-R351 PolarHBondContact O-N 3.3Å; A348-R351 PolarHBondContact O-N 3.36Å; E349-R351 PolarHBondContact O-N 2.78Å; R351-R353 PolarHBondContact O-N 3Å; R351-R353 VanDerWaalsContact O-N 3.17Å; R351-N354 PolarHBondContact O-N 2.96Å
352	K	91.5	Very high	93.1	Very high	162 Å²	162	59.2 Å²	59.2	70%	0.704	29%	0.29	S	S	*	.	H	α-helix	trans	-56.7	-30	174.1	-72.1	173.3	-170.4	172.3	0	112.5	A348 E349	A348-K352 WeakPolarHBondContact O-CG 3.4Å; A348-K352 PolarHBondContact O-N 3.3Å; A348-K352 VanDerWaalsContact O-N 3.09Å; E349-K352 PolarHBondContact O-N 2.89Å; E349-K352 IonicContact OE2-NZ 3.81Å
353	R	92.3	Very high	93.1	Very high	83 Å²	83	61.4 Å²	61.4	31%	0.313	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	6.9	178.4	-62.4	177	-175.4	-134.3	-0.5	114.1	E349 L350 R351 Y355 S356 Q389 D391	E349-R353 WeakPolarHBondContact O-CG 3.37Å; E349-R353 PolarHBondContact O-N 3.48Å; E349-R353 VanDerWaalsContact O-N 3.13Å; E349-R353 IonicContact OE1-CZ 3.08Å; E349-R353 VanDerWaalsContact OE1-CZ 3.27Å; E349-R353 IonicContact OE1-NE 2.67Å; E349-R353 PolarHBondContact OE1-NE 3.44Å; E349-R353 IonicContact OE1-NH2 2.66Å; E349-R353 PolarHBondContact OE1-NH2 3.11Å; L350-R353 CarbonylContact O-C 3.59Å; L350-R353 PolarHBondContact O-N 3.34Å; L350-R353 VanDerWaalsContact O-N 3.15Å; R351-R353 PolarHBondContact O-N 3Å; R351-R353 VanDerWaalsContact O-N 3.17Å; R353-Y355 PolarHBondContact O-N 3.04Å; R353-S356 WeakPolarHBondContact O-CB 3.41Å; R353-S356 PolarHBondContact O-N 3.41Å; R353-Q389 PolarHBondContact NH2-O 3.1Å; R353-D391 IonicContact NH1-OD2 3.62Å
354	N	91.7	Very high	93.2	Very high	130 Å²	130	61.4 Å²	61.4	70%	0.695	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	38.6	-171.7	-165.3	31.6	0	0	0	112.6	L350 R351 S356	L350-N354 PolarHBondContact O-N 2.77Å; R351-N354 PolarHBondContact O-N 2.96Å; N354-S356 PolarHBondContact O-N 2.79Å
355	Y	89.5	Confident	93.3	Very high	98 Å²	98	60.8 Å²	60.8	38%	0.384	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	12.6	-177.5	-55.3	-87.8	0	0	0	115.6	H347 L350 R353	H347-Y355 PolarHBondContact CE1-OH 3.13Å; H347-Y355 PolarHBondContact NE2-OH 3.22Å; L350-Y355 HydrophobicContact CB-CD1 3.82Å; L350-Y355 HydrophobicContact CB-CE1 4Å; L350-Y355 WeakPolarHBondContact O-CA 3.31Å; L350-Y355 PolarHBondContact O-N 3.24Å; R353-Y355 PolarHBondContact O-N 3.04Å
356	S	93.6	Very high	93.4	Very high	90 Å²	90	60.7 Å²	60.7	63%	0.629	30%	0.296	S	S	*	.			trans	-82.5	120.6	173.6	-174.9	0	0	0	0	110.3	R353 N354	R353-S356 WeakPolarHBondContact O-CB 3.41Å; R353-S356 PolarHBondContact O-N 3.41Å; N354-S356 PolarHBondContact O-N 2.79Å
357	T	94.1	Very high	93.5	Very high	42 Å²	42	59.7 Å²	59.7	26%	0.258	29%	0.289	S	S	.	.			trans	-133.8	150.2	178.1	58.9	0	0	0	0	111.2	L345 L350 N359 D391	L345-T357 HydrophobicContact CD1-CG2 4.05Å; L350-T357 HydrophobicContact CD2-CG2 3.53Å; T357-N359 VanDerWaalsContact CB-O 3.3Å; T357-N359 WeakPolarHBondContact CB-O 3.21Å; T357-N359 PolarHBondContact OG1-O 2.85Å; T357-D391 WeakPolarHBondContact CA-OD2 3.38Å; T357-D391 WeakPolarHBondContact CB-OD2 3.33Å
358	I	93	Very high	93.8	Very high	148 Å²	148	58.8 Å²	58.8	76%	0.759	29%	0.286	S	S	*	.	S	Bend	trans	-69	-50.4	173.1	-60	172.2	0	0	0	109.1	D391	I358-D391 PolarHBondContact N-OD2 3.45Å
359	N	94	Very high	94	Very high	31 Å²	31	57.7 Å²	57.7	17%	0.166	27%	0.273	C	S	.	.	S	Bend	trans	-98.7	155.4	179	-55.4	-76.3	0	0	0	110.5	T357 Q361 D391	T357-N359 VanDerWaalsContact CB-O 3.3Å; T357-N359 WeakPolarHBondContact CB-O 3.21Å; T357-N359 PolarHBondContact OG1-O 2.85Å; N359-Q361 PolarHBondContact O-NE2 3.48Å; N359-D391 PolarHBondContact N-OD1 2.78Å; N359-D391 PolarHBondContact ND2-O 3.24Å; N359-D391 VanDerWaalsContact ND2-O 3.15Å; N359-D391 PolarHBondContact ND2-OD1 2.88Å
360	R	95.7	Very high	93.8	Very high	133 Å²	133	64.1 Å²	64.1	50%	0.502	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-67.3	150.5	175.2	-59.6	-174.5	-169.8	166.2	5.5	109.9	E326 V342 S343	E326-R360 HydrophobicContact CB-CB 4.45Å; E326-R360 WeakPolarHBondContact OE2-CD 3.1Å; E326-R360 IonicContact OE2-CZ 2.77Å; E326-R360 IonicContact OE2-NE 3.8Å; E326-R360 IonicContact OE2-NH1 2.97Å; E326-R360 PolarHBondContact OE2-NH1 2.76Å; V342-R360 WeakPolarHBondContact CA-O 3.47Å; V342-R360 WeakPolarHBondContact CB-O 3.39Å; V342-R360 HydrophobicContact CG1-CB 4.4Å; S343-R360 PolarHBondContact N-O 2.81Å
361	Q	97	Very high	93.8	Very high	38 Å²	38	65.8 Å²	65.8	18%	0.178	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-90.7	137.8	172.2	-59	-52.7	-68.9	0	0	110	E326 S343 L345 L350 N359 K363	E326-Q361 WeakPolarHBondContact CB-O 3.14Å; S343-Q361 PolarHBondContact O-NE2 3.32Å; S343-Q361 PolarHBondContact O-OE1 2.89Å; S343-Q361 PolarHBondContact OG-NE2 3.46Å; L345-Q361 VanDerWaalsContact CD1-OE1 3.29Å; L350-Q361 HydrophobicContact CD1-CG 4.33Å; L350-Q361 HydrophobicContact CD2-CG 3.84Å; N359-Q361 PolarHBondContact O-NE2 3.48Å; Q361-K363 PolarHBondContact O-N 3.46Å
362	P	97.5	Very high	94	Very high	4 Å²	4	63.1 Å²	63.1	3%	0.026	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-64.4	127.1	176.2	27.2	-34.5	0	0	0	109.6	N221 V329 S343 W344 I365	N221-P362 WeakPolarHBondContact CB-O 3.07Å; N221-P362 PolarHBondContact ND2-O 3.02Å; N221-P362 VanDerWaalsContact ND2-O 3.15Å; V329-P362 HydrophobicContact CG2-CB 3.92Å; S343-P362 WeakPolarHBondContact O-CD 3.43Å; W344-P362 HydrophobicContact CB-CG 3.89Å; W344-P362 HydrophobicContact CD2-CG 3.67Å; W344-P362 HydrophobicContact CE3-CG 4.28Å; W344-P362 HydrophobicContact CG-CG 3.49Å; W344-P362 VanDerWaalsContact CG-CG 3.49Å; P362-I365 HydrophobicContact CB-CD1 3.42Å; P362-I365 VanDerWaalsContact CB-CD1 3.42Å; P362-I365 HydrophobicContact CB-CG1 4.37Å; P362-I365 HydrophobicContact CG-CD1 3.95Å
363	K	97.8	Very high	94	Very high	47 Å²	47	55.7 Å²	55.7	20%	0.204	27%	0.27	C	S	.	.	S	Bend	trans	-91.4	-36	175	-67.1	-171.5	174.3	-157.1	0	112	N221 T222 E226 E326 W327 Q361	N221-K363 PolarHBondContact N-O 2.86Å; T222-K363 HydrophobicContact CG2-CB 3.81Å; T222-K363 HydrophobicContact CG2-CD 3.93Å; T222-K363 HydrophobicContact CG2-CG 3.86Å; E226-K363 IonicContact OE2-NZ 3.92Å; E226-K363 PolarHBondContact OE2-NZ 2.72Å; E326-K363 HydrophobicContact CB-CG 4.5Å; E326-K363 HydrophobicContact CG-CD 4.02Å; E326-K363 HydrophobicContact CG-CG 4Å; E326-K363 WeakPolarHBondContact O-CA 3.31Å; E326-K363 WeakPolarHBondContact O-CB 3.19Å; E326-K363 PolarHBondContact O-N 2.93Å; W327-K363 HydrophobicContact CD2-CB 3.89Å; W327-K363 HydrophobicContact CD2-CD 3.74Å; W327-K363 HydrophobicContact CD2-CG 4.47Å; W327-K363 HydrophobicContact CE3-CB 3.64Å; W327-K363 HydrophobicContact CE3-CD 4.15Å; W327-K363 HydrophobicContact CG-CB 4.5Å; W327-K363 HydrophobicContact CG-CD 4.36Å; W327-K363 HydrophobicContact CH2-CB 4.31Å; W327-K363 HydrophobicContact CH2-CD 3.83Å; W327-K363 HydrophobicContact CZ2-CD 3.42Å; W327-K363 VanDerWaalsContact CZ2-CD 3.42Å; W327-K363 HydrophobicContact CZ3-CB 3.84Å; W327-K363 HydrophobicContact CZ3-CD 4.18Å; Q361-K363 PolarHBondContact O-N 3.46Å
364	I	98.2	Very high	93.9	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	131.3	170.6	-54.3	177.2	0	0	0	109	L214 M218 I219 L220 L227 I270 E326 W327 V329	L214-I364 HydrophobicContact CD2-CD1 4.46Å; M218-I364 HydrophobicContact CB-CG2 3.88Å; M218-I364 HydrophobicContact CG-CG2 4.12Å; M218-I364 HydrophobicContact SD-CG2 3.97Å; I219-I364 WeakPolarHBondContact O-CA 3.33Å; L220-I364 HydrophobicContact CG-CD1 4.31Å; L220-I364 HydrophobicContact CG-CG1 4.11Å; L227-I364 HydrophobicContact CD2-CD1 4.19Å; I270-I364 HydrophobicContact CD1-CB 4.26Å; I270-I364 HydrophobicContact CD1-CD1 3.6Å; I270-I364 HydrophobicContact CD1-CG1 4.47Å; I270-I364 HydrophobicContact CD1-CG2 4.12Å; E326-I364 PolarHBondContact O-N 2.78Å; E326-I364 VanDerWaalsContact O-N 3.15Å; W327-I364 HydrophobicContact CE3-CD1 3.65Å; W327-I364 HydrophobicContact CE3-CG1 3.77Å; W327-I364 HydrophobicContact CZ3-CD1 3.98Å; W327-I364 HydrophobicContact CZ3-CG1 4.08Å; W327-I364 VanDerWaalsContact O-CB 3.31Å; W327-I364 WeakPolarHBondContact O-CB 3.35Å; V329-I364 PolarHBondContact N-O 3.46Å; V329-I364 VanDerWaalsContact N-O 3.09Å
365	I	97.9	Very high	93.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.5	171.1	-57	-62.5	0	0	0	108.4	M218 I219 V329 L331 W344 P362 I399 L403	M218-I365 VanDerWaalsContact CA-O 3.31Å; M218-I365 WeakPolarHBondContact CA-O 3.13Å; I219-I365 PolarHBondContact N-O 3.11Å; I219-I365 PolarHBondContact O-N 3.07Å; V329-I365 HydrophobicContact CB-CD1 3.97Å; V329-I365 HydrophobicContact CG1-CD1 4.06Å; L331-I365 HydrophobicContact CD1-CG2 3.59Å; L331-I365 HydrophobicContact CG-CG2 4.06Å; W344-I365 HydrophobicContact CE3-CD1 4.2Å; W344-I365 HydrophobicContact CH2-CD1 4.11Å; W344-I365 HydrophobicContact CH2-CG1 3.57Å; W344-I365 HydrophobicContact CZ2-CG1 4.07Å; W344-I365 HydrophobicContact CZ3-CD1 3.88Å; W344-I365 HydrophobicContact CZ3-CG1 3.84Å; P362-I365 HydrophobicContact CB-CD1 3.42Å; P362-I365 VanDerWaalsContact CB-CD1 3.42Å; P362-I365 HydrophobicContact CB-CG1 4.37Å; P362-I365 HydrophobicContact CG-CD1 3.95Å; I365-I399 HydrophobicContact CD1-CG2 3.85Å; I365-L403 HydrophobicContact CB-CD1 4.47Å; I365-L403 HydrophobicContact CG2-CD1 4.01Å; I365-L403 HydrophobicContact CG2-CD2 4.18Å; I365-L403 HydrophobicContact CG2-CG 4.48Å
366	H	97.7	Very high	94	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.019	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	111.1	176.5	-178.3	-171.3	0	0	0	109.6	D215 D217 M218 N267 N328 V329 Q330 L331 N368	D215-H366 IonicContact OD2-CE1 2.75Å; D215-H366 IonicContact OD2-NE2 3.49Å; D217-H366 IonicContact OD1-CD2 3.37Å; D217-H366 PolarHBondContact OD1-CD2 3.05Å; D217-H366 IonicContact OD1-NE2 2.72Å; D217-H366 IonicContact OD2-CD2 3.83Å; D217-H366 IonicContact OD2-NE2 2.8Å; M218-H366 HydrophobicContact CE-CB 3.87Å; N267-H366 PolarHBondContact OD1-CE1 3.13Å; N267-H366 VanDerWaalsContact OD1-CE1 3.28Å; N267-H366 PolarHBondContact OD1-ND1 3.29Å; N328-H366 VanDerWaalsContact OD1-CB 3.24Å; N328-H366 WeakPolarHBondContact OD1-CB 3.13Å; N328-H366 PolarHBondContact OD1-ND1 2.94Å; V329-H366 PolarHBondContact O-N 3.19Å; Q330-H366 HydrophobicContact CG-CB 4.45Å; L331-H366 PolarHBondContact N-O 3.37Å; L331-H366 VanDerWaalsContact N-O 3.08Å; H366-N368 PolarHBondContact O-N 2.71Å; H366-N368 PolarHBondContact O-OD1 3.39Å
367	V	95.2	Very high	93.9	Very high	3 Å²	3	58 Å²	58	2%	0.018	27%	0.266	C	S	.	.			trans	-83.3	45.5	-175.5	-158.6	0	0	0	0	111.1	D217 H369 K372 Y400 L403	D217-V367 HydrophobicContact CB-CB 4.33Å; D217-V367 WeakPolarHBondContact O-CB 3.19Å; D217-V367 WeakPolarHBondContact O-CG2 3.39Å; D217-V367 PolarHBondContact O-N 3.04Å; V367-H369 PolarHBondContact O-N 3.47Å; V367-K372 HydrophobicContact CG1-CD 4.46Å; V367-K372 WeakPolarHBondContact O-CD 3.4Å; V367-K372 PolarHBondContact O-NZ 3.33Å; V367-Y400 HydrophobicContact CG1-CE2 4.34Å; V367-L403 HydrophobicContact CB-CD2 4.17Å; V367-L403 HydrophobicContact CG1-CD2 3.68Å; V367-L403 HydrophobicContact CG2-CD1 4.11Å; V367-L403 HydrophobicContact CG2-CD2 3.39Å; V367-L403 HydrophobicContact CG2-CG 4.36Å
368	N	93.5	Very high	93.8	Very high	32 Å²	32	56.7 Å²	56.7	17%	0.171	26%	0.257	C	S	.	.			trans	-66.7	14.3	178.5	63.7	-14.1	0	0	0	115	L331 S332 H366	L331-N368 PolarHBondContact N-OD1 2.74Å; S332-N368 PolarHBondContact N-OD1 2.96Å; H366-N368 PolarHBondContact O-N 2.71Å; H366-N368 PolarHBondContact O-OD1 3.39Å
369	H	90.8	Very high	93.7	Very high	22 Å²	22	51 Å²	51	10%	0.102	23%	0.23	C	C	.	.	S	Bend	trans	-70.3	151.3	168.7	-164.9	-101	0	0	0	111.6	L331 V367 I371 K372 R396 Y400	L331-H369 WeakPolarHBondContact O-CB 3.13Å; L331-H369 PolarHBondContact O-CD2 3.4Å; L331-H369 VanDerWaalsContact O-CD2 3.28Å; V367-H369 PolarHBondContact O-N 3.47Å; H369-I371 VanDerWaalsContact C-N 3.31Å; H369-I371 PolarHBondContact ND1-N 3.36Å; H369-I371 PolarHBondContact ND1-O 3.27Å; H369-I371 PolarHBondContact O-N 3.41Å; H369-K372 WeakPolarHBondContact O-CD 3.27Å; H369-K372 WeakPolarHBondContact O-CE 3.21Å; H369-K372 PolarHBondContact O-NZ 2.85Å; H369-K372 VanDerWaalsContact O-NZ 3.08Å; H369-R396 PolarHBondContact CD2-NH1 2.87Å; H369-R396 VanDerWaalsContact CD2-NH1 3.27Å; H369-R396 PolarHBondContact NE2-NH1 2.9Å; H369-Y400 HydrophobicContact CB-CE2 4.04Å; H369-Y400 AromaticContact ND1-CZ 3.82Å; H369-Y400 PolarHBondContact ND1-OH 3.02Å
370	H	89	Confident	93.5	Very high	161 Å²	161	57.9 Å²	57.9	75%	0.745	26%	0.258	S	S	*	.	S	Bend	trans	-68.4	-28.7	179	-67.4	-60.8	0	0	0	113.8
371	I	92.1	Very high	93.2	Very high	59 Å²	59	54.9 Å²	54.9	30%	0.303	26%	0.256	S	S	.	.	S	Bend	trans	-94.4	117.1	172.5	-53.1	175.2	0	0	0	107.9	H369 D375 F378 Y400	H369-I371 VanDerWaalsContact C-N 3.31Å; H369-I371 PolarHBondContact ND1-N 3.36Å; H369-I371 PolarHBondContact ND1-O 3.27Å; H369-I371 PolarHBondContact O-N 3.41Å; I371-D375 HydrophobicContact CG2-CB 4.15Å; I371-F378 HydrophobicContact CG2-CB 4.15Å; I371-F378 HydrophobicContact CG2-CD2 4.32Å; I371-Y400 WeakPolarHBondContact CB-OH 3.46Å; I371-Y400 PolarHBondContact O-OH 2.88Å
372	K	91.6	Very high	92.9	Very high	38 Å²	38	56.4 Å²	56.4	17%	0.165	27%	0.267	C	S	.	.			trans	-105	164.3	-177.5	-56.4	-67.6	-174.6	-177.4	0	111.2	Y93 D217 V367 H369 E374 D375 F378	Y93-K372 HydrophobicContact CE1-CB 4.15Å; Y93-K372 WeakPolarHBondContact OH-CB 3.29Å; D217-K372 IonicContact OD2-NZ 3.18Å; D217-K372 PolarHBondContact OD2-NZ 3.5Å; V367-K372 HydrophobicContact CG1-CD 4.46Å; V367-K372 WeakPolarHBondContact O-CD 3.4Å; V367-K372 PolarHBondContact O-NZ 3.33Å; H369-K372 WeakPolarHBondContact O-CD 3.27Å; H369-K372 WeakPolarHBondContact O-CE 3.21Å; H369-K372 PolarHBondContact O-NZ 2.85Å; H369-K372 VanDerWaalsContact O-NZ 3.08Å; K372-E374 VanDerWaalsContact C-N 3.25Å; K372-E374 PolarHBondContact O-N 3.4Å; K372-E374 VanDerWaalsContact O-N 3.08Å; K372-D375 WeakPolarHBondContact CB-OD2 3.27Å; K372-D375 PolarHBondContact N-OD2 3Å; K372-D375 WeakPolarHBondContact O-CB 3.13Å; K372-D375 PolarHBondContact O-N 3.05Å; K372-F378 VanDerWaalsContact O-CB 3.31Å; K372-F378 WeakPolarHBondContact O-CB 3.44Å; K372-F378 VanDerWaalsContact O-CD2 3.3Å; K372-F378 WeakPolarHBondContact O-CD2 3.34Å; K372-F378 WeakPolarHBondContact O-CG 2.99Å
373	P	91.5	Very high	92.6	Very high	6 Å²	6	60.7 Å²	60.7	4%	0.039	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-32.1	-175	-30.6	37.3	0	0	0	117.3	F378 Y407	P373-F378 VanDerWaalsContact CA-CD2 3.49Å; P373-F378 VanDerWaalsContact CA-CG 3.4Å; P373-F378 HydrophobicContact CB-CD1 4.24Å; P373-F378 HydrophobicContact CB-CD2 4.49Å; P373-F378 HydrophobicContact CB-CE1 3.97Å; P373-F378 HydrophobicContact CB-CE2 4.26Å; P373-F378 HydrophobicContact CB-CG 4.49Å; P373-F378 HydrophobicContact CB-CZ 3.99Å; P373-F378 HydrophobicContact CG-CD2 4.44Å; P373-F378 HydrophobicContact CG-CE1 4.23Å; P373-F378 HydrophobicContact CG-CE2 3.85Å; P373-F378 HydrophobicContact CG-CZ 3.73Å; P373-Y407 HydrophobicContact CB-CD1 3.41Å; P373-Y407 VanDerWaalsContact CB-CD1 3.41Å; P373-Y407 HydrophobicContact CB-CD2 3.83Å; P373-Y407 HydrophobicContact CB-CE1 3.24Å; P373-Y407 HydrophobicContact CB-CE2 3.67Å; P373-Y407 HydrophobicContact CB-CG 3.71Å; P373-Y407 HydrophobicContact CG-CD1 4.14Å; P373-Y407 HydrophobicContact CG-CD2 3.69Å; P373-Y407 HydrophobicContact CG-CE1 4.19Å; P373-Y407 HydrophobicContact CG-CE2 3.74Å; P373-Y407 HydrophobicContact CG-CG 3.89Å
374	E	90.9	Very high	92.3	Very high	53 Å²	53	59 Å²	59	25%	0.248	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-0.5	179	-57.7	-60.6	147.8	0	0	113.6	F92 Y93 K372 Y407 R411	F92-E374 HydrophobicContact CB-CG 3.89Å; F92-E374 HydrophobicContact CG-CG 4.26Å; Y93-E374 HydrophobicContact CE1-CB 4.38Å; Y93-E374 HydrophobicContact CE1-CG 3.91Å; K372-E374 VanDerWaalsContact C-N 3.25Å; K372-E374 PolarHBondContact O-N 3.4Å; K372-E374 VanDerWaalsContact O-N 3.08Å; E374-Y407 WeakPolarHBondContact OE1-CE1 3.42Å; E374-Y407 PolarHBondContact OE1-OH 2.99Å; E374-R411 WeakPolarHBondContact OE1-CD 3.23Å; E374-R411 IonicContact OE1-CZ 3.6Å; E374-R411 IonicContact OE1-NE 3.9Å; E374-R411 PolarHBondContact OE1-NE 2.88Å; E374-R411 IonicContact OE1-NH1 3.41Å; E374-R411 IonicContact OE1-NH2 2.78Å; E374-R411 PolarHBondContact OE1-NH2 3.48Å; E374-R411 IonicContact OE2-CZ 3.94Å; E374-R411 IonicContact OE2-NE 3.77Å; E374-R411 PolarHBondContact OE2-NE 2.95Å; E374-R411 IonicContact OE2-NH2 2.83Å; E374-R411 PolarHBondContact OE2-NH2 2.8Å
375	D	92.2	Very high	92	Very high	37 Å²	37	63.3 Å²	63.3	20%	0.198	31%	0.314	C	S	.	.	S	Bend	trans	-82.6	146.2	178.1	-66.2	-38.1	0	0	0	111.4	R89 I371 K372 Y377 F378	R89-D375 IonicContact CZ-OD1 3.64Å; R89-D375 IonicContact NH1-OD1 3.89Å; R89-D375 PolarHBondContact NH1-OD1 3.36Å; R89-D375 IonicContact NH2-OD1 2.68Å; I371-D375 HydrophobicContact CG2-CB 4.15Å; K372-D375 WeakPolarHBondContact CB-OD2 3.27Å; K372-D375 PolarHBondContact N-OD2 3Å; K372-D375 WeakPolarHBondContact O-CB 3.13Å; K372-D375 PolarHBondContact O-N 3.05Å; D375-Y377 PolarHBondContact O-N 2.9Å; D375-F378 VanDerWaalsContact O-CB 3.28Å; D375-F378 WeakPolarHBondContact O-CB 3.4Å; D375-F378 PolarHBondContact O-N 2.9Å
376	K	91	Very high	91.7	Very high	184 Å²	184	70 Å²	70	80%	0.8	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-34.1	-177	-175.7	-178	179	-175.9	0	114.5
377	Y	91.6	Very high	91.5	Very high	176 Å²	176	70.9 Å²	70.9	69%	0.69	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	7.1	-175.3	-57	-66.5	0	0	0	113.5	D375	D375-Y377 PolarHBondContact O-N 2.9Å
378	F	91.3	Very high	91.4	Very high	15 Å²	15	71.6 Å²	71.6	7%	0.066	36%	0.358	C	S	.	.	S	Bend	trans	-65.2	139.2	174.6	-168.6	-102.2	0	0	0	110.5	I371 K372 P373 D375 K380 Y400 F408	I371-F378 HydrophobicContact CG2-CB 4.15Å; I371-F378 HydrophobicContact CG2-CD2 4.32Å; K372-F378 VanDerWaalsContact O-CB 3.31Å; K372-F378 WeakPolarHBondContact O-CB 3.44Å; K372-F378 VanDerWaalsContact O-CD2 3.3Å; K372-F378 WeakPolarHBondContact O-CD2 3.34Å; K372-F378 WeakPolarHBondContact O-CG 2.99Å; P373-F378 VanDerWaalsContact CA-CD2 3.49Å; P373-F378 VanDerWaalsContact CA-CG 3.4Å; P373-F378 HydrophobicContact CB-CD1 4.24Å; P373-F378 HydrophobicContact CB-CD2 4.49Å; P373-F378 HydrophobicContact CB-CE1 3.97Å; P373-F378 HydrophobicContact CB-CE2 4.26Å; P373-F378 HydrophobicContact CB-CG 4.49Å; P373-F378 HydrophobicContact CB-CZ 3.99Å; P373-F378 HydrophobicContact CG-CD2 4.44Å; P373-F378 HydrophobicContact CG-CE1 4.23Å; P373-F378 HydrophobicContact CG-CE2 3.85Å; P373-F378 HydrophobicContact CG-CZ 3.73Å; D375-F378 VanDerWaalsContact O-CB 3.28Å; D375-F378 WeakPolarHBondContact O-CB 3.4Å; D375-F378 PolarHBondContact O-N 2.9Å; F378-K380 PolarHBondContact O-N 2.89Å; F378-Y400 HydrophobicContact CD2-CE1 4.42Å; F378-Y400 HydrophobicContact CD2-CE2 4.33Å; F378-Y400 AromaticContact CD2-CZ 3.75Å; F378-Y400 WeakPolarHBondContact CD2-OH 3.38Å; F378-Y400 HydrophobicContact CE2-CE1 4.27Å; F378-Y400 AromaticContact CE2-CE2 3.69Å; F378-Y400 HydrophobicContact CE2-CE2 3.69Å; F378-Y400 AromaticContact CE2-CZ 3.53Å; F378-Y400 WeakPolarHBondContact CE2-OH 3.28Å; F378-F408 AromaticContact CD1-CE2 3.79Å; F378-F408 HydrophobicContact CD1-CE2 3.79Å; F378-F408 HydrophobicContact CD1-CZ 4.31Å; F378-F408 AromaticContact CE1-CE2 3.84Å; F378-F408 HydrophobicContact CE1-CE2 3.84Å
379	P	90.5	Very high	91.4	Very high	28 Å²	28	75.5 Å²	75.5	18%	0.182	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-57.1	136.7	179.7	-23.7	33.5	0	0	0	111.1	Y400 Y401 S404	P379-Y400 HydrophobicContact CG-CD1 3.72Å; P379-Y400 HydrophobicContact CG-CE1 3.42Å; P379-Y400 VanDerWaalsContact CG-CE1 3.42Å; P379-Y401 HydrophobicContact CB-CD1 3.97Å; P379-Y401 HydrophobicContact CB-CE1 4.01Å; P379-Y401 HydrophobicContact CG-CD1 4.35Å; P379-Y401 HydrophobicContact CG-CE1 4.22Å; P379-S404 PolarHBondContact O-OG 3.42Å
380	K	90.3	Very high	91.4	Very high	175 Å²	175	76.4 Å²	76.4	76%	0.761	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-67.6	152.9	168.7	-66.2	-176.3	178.4	-178.1	0	109.8	F378 V382	F378-K380 PolarHBondContact O-N 2.89Å; K380-V382 PolarHBondContact O-N 3Å
381	P	90.7	Very high	91.7	Very high	70 Å²	70	69.4 Å²	69.4	46%	0.455	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-50.7	133.9	171.2	-28.9	35.9	0	0	0	111.6	F408	P381-F408 HydrophobicContact CG-CB 3.7Å; P381-F408 HydrophobicContact CG-CD2 3.47Å; P381-F408 VanDerWaalsContact CG-CD2 3.47Å; P381-F408 HydrophobicContact CG-CE2 4.34Å; P381-F408 HydrophobicContact CG-CG 3.79Å
382	V	89.8	Confident	91.8	Very high	70 Å²	70	70 Å²	70	42%	0.424	36%	0.359	S	S	.	.			trans	-126.9	164.1	176.4	-66.2	0	0	0	0	109.8	K380 T384 Y401 T405	K380-V382 PolarHBondContact O-N 3Å; V382-T384 PolarHBondContact O-N 3.49Å; V382-Y401 HydrophobicContact CG2-CD1 4.34Å; V382-Y401 HydrophobicContact CG2-CG 4.41Å; V382-T405 PolarHBondContact N-OG1 3Å; V382-T405 PolarHBondContact O-OG1 3.01Å
383	S	91.1	Very high	92	Very high	94 Å²	94	70.9 Å²	70.9	66%	0.657	37%	0.365	S	S	*	.			trans	-62.8	130.7	172.4	-179.5	0	0	0	0	110.2
384	T	92.1	Very high	92.2	Very high	11 Å²	11	70.7 Å²	70.7	7%	0.067	36%	0.363	C	S	.	.			trans	-110.2	10.5	-179.1	49	0	0	0	0	112.6	V382 N386 I387 D388 K402 T405	V382-T384 PolarHBondContact O-N 3.49Å; T384-N386 PolarHBondContact O-N 3.19Å; T384-I387 CarbonylContact O-C 3.58Å; T384-I387 WeakPolarHBondContact O-CA 3.18Å; T384-I387 WeakPolarHBondContact O-CB 3.16Å; T384-I387 PolarHBondContact O-N 3.17Å; T384-D388 VanDerWaalsContact C-OD2 3.23Å; T384-D388 WeakPolarHBondContact CB-OD2 3.42Å; T384-D388 VanDerWaalsContact O-CG 3.3Å; T384-D388 PolarHBondContact O-N 2.95Å; T384-D388 PolarHBondContact OG1-OD2 3.39Å; T384-K402 HydrophobicContact CG2-CB 4.05Å; T384-K402 HydrophobicContact CG2-CG 4.2Å; T384-T405 HydrophobicContact CG2-CG2 4.48Å
385	N	91.1	Very high	92.3	Very high	92 Å²	92	74.1 Å²	74.1	49%	0.492	38%	0.378	S	S	.	.	H	α-helix	trans	-50.6	-41	-172	-69.5	-4.7	0	0	0	113.5	D388 Q389	N385-D388 PolarHBondContact O-N 2.86Å; N385-Q389 WeakPolarHBondContact O-CB 3.34Å; N385-Q389 WeakPolarHBondContact O-CG 3.46Å; N385-Q389 PolarHBondContact O-N 3.07Å
386	N	91.5	Very high	92.3	Very high	141 Å²	141	74.9 Å²	74.9	75%	0.754	38%	0.378	S	S	*	.	H	α-helix	trans	-65.3	-39.1	178	-67.3	-10.1	0	0	0	112.1	T384 S390	T384-N386 PolarHBondContact O-N 3.19Å; N386-S390 WeakPolarHBondContact O-CB 3.23Å; N386-S390 PolarHBondContact O-N 3.17Å
387	I	93.9	Very high	92.3	Very high	21 Å²	21	70.5 Å²	70.5	11%	0.108	36%	0.36	C	S	.	.	H	α-helix	trans	-72.3	-41.7	176.8	-61.6	173.3	0	0	0	109.8	W344 T384 Q389 S390 L394 E398 K402	W344-I387 HydrophobicContact CB-CG2 4.43Å; W344-I387 WeakPolarHBondContact O-CG2 3.4Å; T384-I387 CarbonylContact O-C 3.58Å; T384-I387 WeakPolarHBondContact O-CA 3.18Å; T384-I387 WeakPolarHBondContact O-CB 3.16Å; T384-I387 PolarHBondContact O-N 3.17Å; I387-Q389 PolarHBondContact O-N 3.42Å; I387-S390 PolarHBondContact O-N 3.36Å; I387-L394 HydrophobicContact CG1-CD2 4.16Å; I387-L394 HydrophobicContact CG2-CD1 3.65Å; I387-L394 HydrophobicContact CG2-CD2 3.91Å; I387-L394 HydrophobicContact CG2-CG 4.44Å; I387-E398 HydrophobicContact CD1-CB 4Å; I387-E398 WeakPolarHBondContact CD1-O 3.38Å; I387-K402 HydrophobicContact CB-CD 4.32Å; I387-K402 HydrophobicContact CD1-CB 4.13Å; I387-K402 HydrophobicContact CG2-CB 4.4Å; I387-K402 HydrophobicContact CG2-CD 3.46Å; I387-K402 VanDerWaalsContact CG2-CD 3.46Å
388	D	92.3	Very high	92.4	Very high	19 Å²	19	64.8 Å²	64.8	10%	0.102	34%	0.34	C	S	.	.	H	α-helix	trans	-64.1	-22.1	-176.3	-70.2	-34.5	0	0	0	114.1	S346 E349 T384 N385 K402	S346-D388 PolarHBondContact N-O 3.42Å; S346-D388 PolarHBondContact OG-O 3.21Å; E349-D388 VanDerWaalsContact CB-O 3.32Å; E349-D388 WeakPolarHBondContact CB-O 3.32Å; T384-D388 VanDerWaalsContact C-OD2 3.23Å; T384-D388 WeakPolarHBondContact CB-OD2 3.42Å; T384-D388 VanDerWaalsContact O-CG 3.3Å; T384-D388 PolarHBondContact O-N 2.95Å; T384-D388 PolarHBondContact OG1-OD2 3.39Å; N385-D388 PolarHBondContact O-N 2.86Å; D388-K402 WeakPolarHBondContact OD1-CE 3.41Å; D388-K402 IonicContact OD1-NZ 3.27Å; D388-K402 PolarHBondContact OD1-NZ 3Å
389	Q	93.4	Very high	92.6	Very high	114 Å²	114	64.6 Å²	64.6	53%	0.533	34%	0.339	S	S	.	.	H	α-helix	trans	-112.8	-13.3	-175.5	-63.4	176.4	16.1	0	0	113.6	R353 N385 I387	R353-Q389 PolarHBondContact NH2-O 3.1Å; N385-Q389 WeakPolarHBondContact O-CB 3.34Å; N385-Q389 WeakPolarHBondContact O-CG 3.46Å; N385-Q389 PolarHBondContact O-N 3.07Å; I387-Q389 PolarHBondContact O-N 3.42Å
390	S	92.6	Very high	92.7	Very high	41 Å²	41	64 Å²	64	29%	0.287	33%	0.333	S	S	.	.			trans	-108.1	122	-171.7	-167.4	0	0	0	0	111.8	N386 I387 V392	N386-S390 WeakPolarHBondContact O-CB 3.23Å; N386-S390 PolarHBondContact O-N 3.17Å; I387-S390 PolarHBondContact O-N 3.36Å; S390-V392 PolarHBondContact O-N 2.93Å; S390-V392 VanDerWaalsContact O-N 3.12Å; S390-V392 WeakPolarHBondContact OG-CG1 3.32Å; S390-V392 WeakPolarHBondContact OG-CG2 3.24Å
391	D	94.5	Very high	92.8	Very high	14 Å²	14	60.8 Å²	60.8	8%	0.075	32%	0.317	C	S	.	.			trans	-89.8	58.7	174.1	-168	0.3	0	0	0	110.8	S343 L345 R353 T357 I358 N359	S343-D391 VanDerWaalsContact CB-OD1 3.31Å; S343-D391 WeakPolarHBondContact CB-OD1 3.22Å; S343-D391 PolarHBondContact OG-OD1 3.29Å; L345-D391 HydrophobicContact CD1-CB 4.09Å; L345-D391 HydrophobicContact CD2-CB 4.2Å; R353-D391 IonicContact NH1-OD2 3.62Å; T357-D391 WeakPolarHBondContact CA-OD2 3.38Å; T357-D391 WeakPolarHBondContact CB-OD2 3.33Å; I358-D391 PolarHBondContact N-OD2 3.45Å; N359-D391 PolarHBondContact N-OD1 2.78Å; N359-D391 PolarHBondContact ND2-O 3.24Å; N359-D391 VanDerWaalsContact ND2-O 3.15Å; N359-D391 PolarHBondContact ND2-OD1 2.88Å
392	V	94.1	Very high	93	Very high	72 Å²	72	57.9 Å²	57.9	44%	0.436	30%	0.297	S	S	.	.	S	Bend	trans	-109.8	150.5	175.8	-63.7	0	0	0	0	109.2	S343 S390 L394	S343-V392 VanDerWaalsContact CB-O 3.24Å; S343-V392 WeakPolarHBondContact CB-O 3.41Å; S390-V392 PolarHBondContact O-N 2.93Å; S390-V392 VanDerWaalsContact O-N 3.12Å; S390-V392 WeakPolarHBondContact OG-CG1 3.32Å; S390-V392 WeakPolarHBondContact OG-CG2 3.24Å; V392-L394 PolarHBondContact O-N 3.22Å; V392-L394 VanDerWaalsContact O-N 3.14Å
393	L	95.2	Very high	93.3	Very high	55 Å²	55	54.5 Å²	54.5	29%	0.288	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-58.4	118.3	172.7	174.3	57.8	0	0	0	109.6	P337 E338 P341	P337-L393 HydrophobicContact CB-CD1 4.46Å; E338-L393 WeakPolarHBondContact OE1-CD2 3.49Å; P341-L393 HydrophobicContact CB-CD1 3.66Å
394	L	95.5	Very high	93.4	Very high	2 Å²	2	50 Å²	50	1%	0.01	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-83.7	137.3	178.9	-63.1	176.2	0	0	0	111.1	V342 W344 I387 V392 E398 I399	V342-L394 PolarHBondContact O-N 3.44Å; W344-L394 HydrophobicContact CB-CD1 3.62Å; I387-L394 HydrophobicContact CG1-CD2 4.16Å; I387-L394 HydrophobicContact CG2-CD1 3.65Å; I387-L394 HydrophobicContact CG2-CD2 3.91Å; I387-L394 HydrophobicContact CG2-CG 4.44Å; V392-L394 PolarHBondContact O-N 3.22Å; V392-L394 VanDerWaalsContact O-N 3.14Å; L394-E398 HydrophobicContact CB-CB 4.39Å; L394-E398 HydrophobicContact CD2-CB 4.14Å; L394-I399 HydrophobicContact CB-CD1 4.15Å; L394-I399 HydrophobicContact CB-CG1 3.62Å; L394-I399 HydrophobicContact CD1-CG1 4.04Å
395	K	93.5	Very high	93.5	Very high	125 Å²	125	50.3 Å²	50.3	54%	0.543	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-76.5	156	166.5	-62.6	175.8	-178.6	175.4	0	109.6	H397 E398 I399	K395-H397 VanDerWaalsContact C-N 3.27Å; K395-H397 PolarHBondContact O-N 2.83Å; K395-H397 VanDerWaalsContact O-N 3.11Å; K395-E398 HydrophobicContact CB-CG 4.44Å; K395-E398 WeakPolarHBondContact CB-OE2 3.44Å; K395-E398 PolarHBondContact N-OE2 3.39Å; K395-E398 WeakPolarHBondContact O-CB 3.46Å; K395-E398 PolarHBondContact O-N 3.12Å; K395-I399 PolarHBondContact O-N 3.26Å; K395-I399 VanDerWaalsContact O-N 3.16Å
396	R	92.7	Very high	93.7	Very high	53 Å²	53	46.9 Å²	46.9	20%	0.2	23%	0.23	C	C	.	.	H	α-helix	trans	-46	-46.5	178.8	-174.5	-172.6	71	84.7	-9.3	113.9	L331 S332 D333 H369 E398 I399 Y400	L331-R396 HydrophobicContact CD2-CG 4.37Å; L331-R396 PolarHBondContact O-NH1 3.04Å; S332-R396 WeakPolarHBondContact O-CD 3.48Å; D333-R396 IonicContact OD1-CZ 2.68Å; D333-R396 IonicContact OD1-NE 2.69Å; D333-R396 IonicContact OD1-NH2 3.82Å; D333-R396 PolarHBondContact OD1-NH2 3.17Å; H369-R396 PolarHBondContact CD2-NH1 2.87Å; H369-R396 VanDerWaalsContact CD2-NH1 3.27Å; H369-R396 PolarHBondContact NE2-NH1 2.9Å; R396-E398 VanDerWaalsContact C-N 3.33Å; R396-E398 PolarHBondContact O-N 3.38Å; R396-I399 PolarHBondContact O-N 2.86Å; R396-Y400 WeakPolarHBondContact O-CB 3.44Å; R396-Y400 PolarHBondContact O-N 3.45Å
397	H	91.1	Very high	93.8	Very high	92 Å²	92	40.4 Å²	40.4	43%	0.426	20%	0.195	S	C	.	.	H	α-helix	trans	-67.6	-32.7	-177.7	64.2	-92.2	0	0	0	112.7	K395 Y400 Y401	K395-H397 VanDerWaalsContact C-N 3.27Å; K395-H397 PolarHBondContact O-N 2.83Å; K395-H397 VanDerWaalsContact O-N 3.11Å; H397-Y400 WeakPolarHBondContact O-CB 3.38Å; H397-Y400 PolarHBondContact O-N 3.2Å; H397-Y401 HydrophobicContact CB-CE2 4.42Å; H397-Y401 PolarHBondContact O-N 3.41Å; H397-Y401 WeakPolarHBondContact O-CD2 3.29Å
398	E	94.1	Very high	93.8	Very high	57 Å²	57	42.3 Å²	42.3	27%	0.266	20%	0.202	S	C	.	.	H	α-helix	trans	-68.3	-43.2	176	-60.2	173.5	111.5	0	0	110.5	I387 L394 K395 R396 Y400 Y401 K402	I387-E398 HydrophobicContact CD1-CB 4Å; I387-E398 WeakPolarHBondContact CD1-O 3.38Å; L394-E398 HydrophobicContact CB-CB 4.39Å; L394-E398 HydrophobicContact CD2-CB 4.14Å; K395-E398 HydrophobicContact CB-CG 4.44Å; K395-E398 WeakPolarHBondContact CB-OE2 3.44Å; K395-E398 PolarHBondContact N-OE2 3.39Å; K395-E398 WeakPolarHBondContact O-CB 3.46Å; K395-E398 PolarHBondContact O-N 3.12Å; R396-E398 VanDerWaalsContact C-N 3.33Å; R396-E398 PolarHBondContact O-N 3.38Å; E398-Y400 PolarHBondContact O-N 3.49Å; E398-Y400 VanDerWaalsContact C-N 3.29Å; E398-Y401 PolarHBondContact O-N 2.87Å; E398-K402 PolarHBondContact O-N 2.85Å
399	I	94.7	Very high	93.7	Very high	10 Å²	10	43 Å²	43	5%	0.051	20%	0.204	C	C	.	.	H	α-helix	trans	-61.4	-41.1	172.5	-53.7	174.7	0	0	0	110.2	V329 L331 V342 W344 I365 L394 K395 R396 K402 L403	V329-I399 HydrophobicContact CG1-CD1 4.05Å; L331-I399 HydrophobicContact CD1-CG2 4.45Å; L331-I399 HydrophobicContact CD2-CB 3.9Å; L331-I399 HydrophobicContact CD2-CG2 3.65Å; V342-I399 HydrophobicContact CG2-CD1 3.81Å; W344-I399 HydrophobicContact CE3-CG2 3.89Å; W344-I399 HydrophobicContact CZ3-CG2 3.8Å; I365-I399 HydrophobicContact CD1-CG2 3.85Å; L394-I399 HydrophobicContact CB-CD1 4.15Å; L394-I399 HydrophobicContact CB-CG1 3.62Å; L394-I399 HydrophobicContact CD1-CG1 4.04Å; K395-I399 PolarHBondContact O-N 3.26Å; K395-I399 VanDerWaalsContact O-N 3.16Å; R396-I399 PolarHBondContact O-N 2.86Å; I399-K402 PolarHBondContact O-N 3.09Å; I399-L403 VanDerWaalsContact O-CB 3.25Å; I399-L403 WeakPolarHBondContact O-CB 3.4Å; I399-L403 PolarHBondContact O-N 3.2Å
400	Y	92.4	Very high	93.7	Very high	17 Å²	17	37.8 Å²	37.8	7%	0.067	18%	0.18	C	C	.	.	H	α-helix	trans	-64.7	-39.1	178.2	-165.8	-112.7	0	0	0	112.7	L331 V367 H369 I371 F378 P379 R396 H397 E398 L403 S404	L331-Y400 HydrophobicContact CB-CD2 4.32Å; L331-Y400 HydrophobicContact CD1-CD2 3.85Å; V367-Y400 HydrophobicContact CG1-CE2 4.34Å; H369-Y400 HydrophobicContact CB-CE2 4.04Å; H369-Y400 AromaticContact ND1-CZ 3.82Å; H369-Y400 PolarHBondContact ND1-OH 3.02Å; I371-Y400 WeakPolarHBondContact CB-OH 3.46Å; I371-Y400 PolarHBondContact O-OH 2.88Å; F378-Y400 HydrophobicContact CD2-CE1 4.42Å; F378-Y400 HydrophobicContact CD2-CE2 4.33Å; F378-Y400 AromaticContact CD2-CZ 3.75Å; F378-Y400 WeakPolarHBondContact CD2-OH 3.38Å; F378-Y400 HydrophobicContact CE2-CE1 4.27Å; F378-Y400 AromaticContact CE2-CE2 3.69Å; F378-Y400 HydrophobicContact CE2-CE2 3.69Å; F378-Y400 AromaticContact CE2-CZ 3.53Å; F378-Y400 WeakPolarHBondContact CE2-OH 3.28Å; P379-Y400 HydrophobicContact CG-CD1 3.72Å; P379-Y400 HydrophobicContact CG-CE1 3.42Å; P379-Y400 VanDerWaalsContact CG-CE1 3.42Å; R396-Y400 WeakPolarHBondContact O-CB 3.44Å; R396-Y400 PolarHBondContact O-N 3.45Å; H397-Y400 WeakPolarHBondContact O-CB 3.38Å; H397-Y400 PolarHBondContact O-N 3.2Å; E398-Y400 PolarHBondContact O-N 3.49Å; E398-Y400 VanDerWaalsContact C-N 3.29Å; Y400-L403 HydrophobicContact CD2-CD2 4.4Å; Y400-S404 VanDerWaalsContact O-N 3.12Å; Y400-S404 PolarHBondContact O-N 3.27Å
401	Y	93	Very high	93.7	Very high	107 Å²	107	39.4 Å²	39.4	42%	0.42	18%	0.18	S	C	.	.	H	α-helix	trans	-67	-44.3	172.4	-71.4	-53.7	0	0	0	112.4	P379 V382 H397 E398 L403 S404 T405	P379-Y401 HydrophobicContact CB-CD1 3.97Å; P379-Y401 HydrophobicContact CB-CE1 4.01Å; P379-Y401 HydrophobicContact CG-CD1 4.35Å; P379-Y401 HydrophobicContact CG-CE1 4.22Å; V382-Y401 HydrophobicContact CG2-CD1 4.34Å; V382-Y401 HydrophobicContact CG2-CG 4.41Å; H397-Y401 HydrophobicContact CB-CE2 4.42Å; H397-Y401 PolarHBondContact O-N 3.41Å; H397-Y401 WeakPolarHBondContact O-CD2 3.29Å; E398-Y401 PolarHBondContact O-N 2.87Å; Y401-L403 VanDerWaalsContact C-N 3.34Å; Y401-L403 PolarHBondContact O-N 3.24Å; Y401-S404 WeakPolarHBondContact O-CB 3.33Å; Y401-S404 PolarHBondContact O-N 3.4Å; Y401-T405 PolarHBondContact O-N 3.27Å
402	K	95	Very high	93.6	Very high	8 Å²	8	41 Å²	41	4%	0.035	20%	0.195	C	C	.	.	H	α-helix	trans	-63.6	-41.8	176.5	178.8	159.2	174.2	162.9	0	112.1	W344 L345 T384 I387 D388 E398 I399 S404 T405 V406	W344-K402 HydrophobicContact CB-CD 3.98Å; W344-K402 VanDerWaalsContact CD1-CE 3.47Å; W344-K402 HydrophobicContact CD2-CD 3.49Å; W344-K402 VanDerWaalsContact CD2-CD 3.49Å; W344-K402 HydrophobicContact CD2-CG 3.86Å; W344-K402 HydrophobicContact CE3-CB 3.89Å; W344-K402 HydrophobicContact CE3-CD 3.63Å; W344-K402 HydrophobicContact CE3-CG 3.58Å; W344-K402 HydrophobicContact CG-CD 3.64Å; W344-K402 HydrophobicContact CH2-CG 4.17Å; W344-K402 HydrophobicContact CZ2-CG 4.42Å; W344-K402 HydrophobicContact CZ3-CB 3.97Å; W344-K402 HydrophobicContact CZ3-CD 4.31Å; W344-K402 HydrophobicContact CZ3-CG 3.76Å; W344-K402 PolarHBondContact O-NZ 3.36Å; L345-K402 PolarHBondContact O-NZ 3.25Å; T384-K402 HydrophobicContact CG2-CB 4.05Å; T384-K402 HydrophobicContact CG2-CG 4.2Å; I387-K402 HydrophobicContact CB-CD 4.32Å; I387-K402 HydrophobicContact CD1-CB 4.13Å; I387-K402 HydrophobicContact CG2-CB 4.4Å; I387-K402 HydrophobicContact CG2-CD 3.46Å; I387-K402 VanDerWaalsContact CG2-CD 3.46Å; D388-K402 WeakPolarHBondContact OD1-CE 3.41Å; D388-K402 IonicContact OD1-NZ 3.27Å; D388-K402 PolarHBondContact OD1-NZ 3Å; E398-K402 PolarHBondContact O-N 2.85Å; I399-K402 PolarHBondContact O-N 3.09Å; K402-S404 VanDerWaalsContact C-N 3.27Å; K402-S404 PolarHBondContact O-N 3.31Å; K402-T405 PolarHBondContact O-N 3.17Å; K402-V406 HydrophobicContact CG-CG2 4.25Å; K402-V406 PolarHBondContact O-N 2.58Å; K402-V406 WeakPolarHBondContact O-CG2 3.5Å
403	L	95.1	Very high	93.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-54.6	-43.7	172.8	169.4	69.8	0	0	0	111.2	I219 L331 W344 I365 V367 I399 Y400 Y401 T405 V406 Y407	I219-L403 HydrophobicContact CB-CD1 4.31Å; I219-L403 HydrophobicContact CG1-CD1 3.95Å; L331-L403 HydrophobicContact CD1-CB 4.39Å; L331-L403 HydrophobicContact CD1-CD2 3.4Å; L331-L403 VanDerWaalsContact CD1-CD2 3.4Å; L331-L403 HydrophobicContact CD1-CG 4.49Å; W344-L403 HydrophobicContact CH2-CB 4.34Å; W344-L403 HydrophobicContact CZ3-CB 4.27Å; I365-L403 HydrophobicContact CB-CD1 4.47Å; I365-L403 HydrophobicContact CG2-CD1 4.01Å; I365-L403 HydrophobicContact CG2-CD2 4.18Å; I365-L403 HydrophobicContact CG2-CG 4.48Å; V367-L403 HydrophobicContact CB-CD2 4.17Å; V367-L403 HydrophobicContact CG1-CD2 3.68Å; V367-L403 HydrophobicContact CG2-CD1 4.11Å; V367-L403 HydrophobicContact CG2-CD2 3.39Å; V367-L403 HydrophobicContact CG2-CG 4.36Å; I399-L403 VanDerWaalsContact O-CB 3.25Å; I399-L403 WeakPolarHBondContact O-CB 3.4Å; I399-L403 PolarHBondContact O-N 3.2Å; Y400-L403 HydrophobicContact CD2-CD2 4.4Å; Y401-L403 VanDerWaalsContact C-N 3.34Å; Y401-L403 PolarHBondContact O-N 3.24Å; L403-T405 VanDerWaalsContact C-N 3.33Å; L403-T405 PolarHBondContact O-N 3.4Å; L403-V406 PolarHBondContact O-N 3.03Å; L403-Y407 VanDerWaalsContact O-CB 3.24Å; L403-Y407 WeakPolarHBondContact O-CB 3.23Å; L403-Y407 PolarHBondContact O-N 3.5Å
404	S	94.5	Very high	93.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-55.8	-50.4	178.4	175.5	0	0	0	0	111.2	P379 Y400 Y401 K402 V406 Y407 F408	P379-S404 PolarHBondContact O-OG 3.42Å; Y400-S404 VanDerWaalsContact O-N 3.12Å; Y400-S404 PolarHBondContact O-N 3.27Å; Y401-S404 WeakPolarHBondContact O-CB 3.33Å; Y401-S404 PolarHBondContact O-N 3.4Å; K402-S404 VanDerWaalsContact C-N 3.27Å; K402-S404 PolarHBondContact O-N 3.31Å; S404-V406 PolarHBondContact O-N 3.39Å; S404-Y407 PolarHBondContact O-N 3.17Å; S404-F408 WeakPolarHBondContact O-CD2 3.49Å; S404-F408 PolarHBondContact O-N 2.98Å
405	T	93.8	Very high	93.3	Very high	16 Å²	16	44.6 Å²	44.6	10%	0.098	20%	0.203	C	C	.	.	H	α-helix	trans	-60.1	-44.8	176.9	-60.3	0	0	0	0	112.1	V382 T384 Y401 K402 L403 K409	V382-T405 PolarHBondContact N-OG1 3Å; V382-T405 PolarHBondContact O-OG1 3.01Å; T384-T405 HydrophobicContact CG2-CG2 4.48Å; Y401-T405 PolarHBondContact O-N 3.27Å; K402-T405 PolarHBondContact O-N 3.17Å; L403-T405 VanDerWaalsContact C-N 3.33Å; L403-T405 PolarHBondContact O-N 3.4Å; T405-K409 HydrophobicContact CG2-CD 4.44Å; T405-K409 WeakPolarHBondContact O-CB 3.34Å; T405-K409 VanDerWaalsContact O-CG 3.24Å; T405-K409 WeakPolarHBondContact O-CG 3.39Å; T405-K409 PolarHBondContact O-N 2.71Å
406	V	94	Very high	93.3	Very high	21 Å²	21	43.8 Å²	43.8	13%	0.127	20%	0.201	C	C	.	.	H	α-helix	trans	-66.3	-44.1	179.5	174.6	0	0	0	0	112.3	I219 W344 K402 L403 S404 K409 F410	I219-V406 HydrophobicContact CG2-CG1 4.05Å; W344-V406 HydrophobicContact CH2-CB 4.42Å; W344-V406 HydrophobicContact CH2-CG2 4.13Å; W344-V406 HydrophobicContact CZ2-CB 4.4Å; W344-V406 HydrophobicContact CZ2-CG1 4.42Å; W344-V406 HydrophobicContact CZ2-CG2 3.86Å; K402-V406 HydrophobicContact CG-CG2 4.25Å; K402-V406 PolarHBondContact O-N 2.58Å; K402-V406 WeakPolarHBondContact O-CG2 3.5Å; L403-V406 PolarHBondContact O-N 3.03Å; S404-V406 PolarHBondContact O-N 3.39Å; V406-K409 WeakPolarHBondContact O-CB 3.37Å; V406-K409 PolarHBondContact O-N 3.01Å; V406-F410 HydrophobicContact CG1-CD2 3.97Å; V406-F410 HydrophobicContact CG1-CE2 3.81Å; V406-F410 WeakPolarHBondContact O-CD2 3.49Å; V406-F410 PolarHBondContact O-N 2.99Å; V406-F410 VanDerWaalsContact O-N 3.1Å
407	Y	94.5	Very high	93.4	Very high	5 Å²	5	41.4 Å²	41.4	2%	0.02	19%	0.192	C	C	.	.	H	α-helix	trans	-60.7	-49.5	179.2	179.6	-87.6	0	0	0	110.8	S96 I219 P373 E374 L403 S404 K409 F410 R411	S96-Y407 VanDerWaalsContact CB-CE2 3.48Å; S96-Y407 WeakPolarHBondContact OG-CE2 3.17Å; S96-Y407 VanDerWaalsContact OG-CZ 3.29Å; S96-Y407 PolarHBondContact OG-OH 3.01Å; I219-Y407 HydrophobicContact CD1-CD2 4.02Å; I219-Y407 HydrophobicContact CG1-CD2 4.33Å; P373-Y407 HydrophobicContact CB-CD1 3.41Å; P373-Y407 VanDerWaalsContact CB-CD1 3.41Å; P373-Y407 HydrophobicContact CB-CD2 3.83Å; P373-Y407 HydrophobicContact CB-CE1 3.24Å; P373-Y407 HydrophobicContact CB-CE2 3.67Å; P373-Y407 HydrophobicContact CB-CG 3.71Å; P373-Y407 HydrophobicContact CG-CD1 4.14Å; P373-Y407 HydrophobicContact CG-CD2 3.69Å; P373-Y407 HydrophobicContact CG-CE1 4.19Å; P373-Y407 HydrophobicContact CG-CE2 3.74Å; P373-Y407 HydrophobicContact CG-CG 3.89Å; E374-Y407 WeakPolarHBondContact OE1-CE1 3.42Å; E374-Y407 PolarHBondContact OE1-OH 2.99Å; L403-Y407 VanDerWaalsContact O-CB 3.24Å; L403-Y407 WeakPolarHBondContact O-CB 3.23Å; L403-Y407 PolarHBondContact O-N 3.5Å; S404-Y407 PolarHBondContact O-N 3.17Å; Y407-K409 VanDerWaalsContact C-N 3.31Å; Y407-K409 PolarHBondContact O-N 2.91Å; Y407-F410 PolarHBondContact O-N 3.34Å; Y407-R411 WeakPolarHBondContact O-CB 3.45Å; Y407-R411 PolarHBondContact O-N 3.29Å; Y407-R411 HydrophobicContact CE1-CB 4.41Å
408	F	93	Very high	93.5	Very high	60 Å²	60	37.6 Å²	37.6	26%	0.263	17%	0.174	S	C	.	.	H	α-helix	trans	-70.3	-27.1	-179.6	-75.8	-69.2	0	0	0	113	F378 P381 S404 A412	F378-F408 AromaticContact CD1-CE2 3.79Å; F378-F408 HydrophobicContact CD1-CE2 3.79Å; F378-F408 HydrophobicContact CD1-CZ 4.31Å; F378-F408 AromaticContact CE1-CE2 3.84Å; F378-F408 HydrophobicContact CE1-CE2 3.84Å; P381-F408 HydrophobicContact CG-CB 3.7Å; P381-F408 HydrophobicContact CG-CD2 3.47Å; P381-F408 VanDerWaalsContact CG-CD2 3.47Å; P381-F408 HydrophobicContact CG-CE2 4.34Å; P381-F408 HydrophobicContact CG-CG 3.79Å; S404-F408 WeakPolarHBondContact O-CD2 3.49Å; S404-F408 PolarHBondContact O-N 2.98Å; F408-A412 WeakPolarHBondContact O-CB 3.36Å; F408-A412 PolarHBondContact O-N 3.38Å; F408-A412 VanDerWaalsContact O-N 3.1Å
409	K	92.2	Very high	93.1	Very high	34 Å²	34	40 Å²	40	15%	0.148	19%	0.186	C	C	.	.	H	α-helix	trans	-59.1	-53.7	167.2	-77.4	177.8	178.9	-176.3	0	110.7	Y118 D119 T405 V406 Y407 R411 A412 I413	Y118-K409 HydrophobicContact CD2-CB 4.14Å; Y118-K409 HydrophobicContact CD2-CD 4.43Å; Y118-K409 HydrophobicContact CD2-CG 3.63Å; Y118-K409 HydrophobicContact CE2-CB 4.39Å; Y118-K409 HydrophobicContact CE2-CG 4Å; Y118-K409 HydrophobicContact CG-CD 4.48Å; Y118-K409 HydrophobicContact CG-CG 4.04Å; D119-K409 WeakPolarHBondContact OD1-CE 3.31Å; D119-K409 IonicContact OD1-NZ 2.85Å; D119-K409 PolarHBondContact OD1-NZ 2.8Å; D119-K409 IonicContact OD2-NZ 3.94Å; D119-K409 PolarHBondContact OD2-NZ 2.83Å; T405-K409 HydrophobicContact CG2-CD 4.44Å; T405-K409 WeakPolarHBondContact O-CB 3.34Å; T405-K409 VanDerWaalsContact O-CG 3.24Å; T405-K409 WeakPolarHBondContact O-CG 3.39Å; T405-K409 PolarHBondContact O-N 2.71Å; V406-K409 WeakPolarHBondContact O-CB 3.37Å; V406-K409 PolarHBondContact O-N 3.01Å; Y407-K409 VanDerWaalsContact C-N 3.31Å; Y407-K409 PolarHBondContact O-N 2.91Å; K409-R411 PolarHBondContact O-N 3.42Å; K409-A412 PolarHBondContact O-N 3.07Å; K409-I413 WeakPolarHBondContact O-CG1 3.39Å
410	F	93.3	Very high	93.1	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.018	19%	0.192	C	C	.	.	H	α-helix	trans	-62.2	-42.6	176.9	-78.4	-61	0	0	0	112.3	K99 Y103 Y104 I219 V406 Y407 A412 I413	K99-F410 HydrophobicContact CB-CB 4.34Å; K99-F410 HydrophobicContact CB-CD1 4.07Å; K99-F410 HydrophobicContact CB-CG 4.5Å; K99-F410 VanDerWaalsContact CD-O 3.23Å; K99-F410 WeakPolarHBondContact CD-O 3.38Å; Y103-F410 HydrophobicContact CD1-CE1 4.2Å; Y103-F410 HydrophobicContact CD1-CZ 4.11Å; Y103-F410 HydrophobicContact CD2-CE1 4.43Å; Y103-F410 AromaticContact CG-CE1 3.89Å; Y103-F410 HydrophobicContact CG-CE1 3.89Å; Y103-F410 HydrophobicContact CG-CZ 4.27Å; Y104-F410 HydrophobicContact CE2-CZ 4.24Å; I219-F410 HydrophobicContact CG2-CD2 4.41Å; I219-F410 HydrophobicContact CG2-CE2 4.24Å; V406-F410 HydrophobicContact CG1-CD2 3.97Å; V406-F410 HydrophobicContact CG1-CE2 3.81Å; V406-F410 WeakPolarHBondContact O-CD2 3.49Å; V406-F410 PolarHBondContact O-N 2.99Å; V406-F410 VanDerWaalsContact O-N 3.1Å; Y407-F410 PolarHBondContact O-N 3.34Å; F410-A412 PolarHBondContact O-N 3.49Å; F410-I413 HydrophobicContact CD1-CD1 3.7Å; F410-I413 PolarHBondContact O-N 3Å; F410-I413 HydrophobicContact CE1-CD1 4.3Å; F410-I413 WeakPolarHBondContact O-CB 3.3Å
411	R	92.3	Very high	93.1	Very high	75 Å²	75	42.7 Å²	42.7	28%	0.283	20%	0.199	S	C	.	.	H	α-helix	trans	-55.8	-37	178.8	-176.9	155.8	179.8	61.5	-18	112.8	K99 E374 Y407 K409 I413	K99-R411 PolarHBondContact NZ-O 3.33Å; E374-R411 WeakPolarHBondContact OE1-CD 3.23Å; E374-R411 IonicContact OE1-CZ 3.6Å; E374-R411 IonicContact OE1-NE 3.9Å; E374-R411 PolarHBondContact OE1-NE 2.88Å; E374-R411 IonicContact OE1-NH1 3.41Å; E374-R411 IonicContact OE1-NH2 2.78Å; E374-R411 PolarHBondContact OE1-NH2 3.48Å; E374-R411 IonicContact OE2-CZ 3.94Å; E374-R411 IonicContact OE2-NE 3.77Å; E374-R411 PolarHBondContact OE2-NE 2.95Å; E374-R411 IonicContact OE2-NH2 2.83Å; E374-R411 PolarHBondContact OE2-NH2 2.8Å; Y407-R411 WeakPolarHBondContact O-CB 3.45Å; Y407-R411 PolarHBondContact O-N 3.29Å; Y407-R411 HydrophobicContact CE1-CB 4.41Å; K409-R411 PolarHBondContact O-N 3.42Å; R411-I413 VanDerWaalsContact C-N 3.33Å
412	A	92.6	Very high	93.1	Very high	49 Å²	49	39.2 Å²	39.2	41%	0.405	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-13	180	0	0	0	0	0	114.5	I117 Y118 F408 K409 F410	I117-A412 HydrophobicContact CD1-CB 3.73Å; Y118-A412 HydrophobicContact CE2-CB 4.32Å; F408-A412 WeakPolarHBondContact O-CB 3.36Å; F408-A412 PolarHBondContact O-N 3.38Å; F408-A412 VanDerWaalsContact O-N 3.1Å; K409-A412 PolarHBondContact O-N 3.07Å; F410-A412 PolarHBondContact O-N 3.49Å
413	I	92.2	Very high	93	Very high	4 Å²	4	41 Å²	41	2%	0.021	20%	0.196	C	C	.	.	S	Bend	trans	-75.1	126.7	177.4	-54.1	172	0	0	0	109	K99 F108 I117 L120 K409 F410 R411 C417 F418	K99-I413 WeakPolarHBondContact CE-O 3.35Å; K99-I413 PolarHBondContact NZ-O 3.12Å; F108-I413 HydrophobicContact CE2-CD1 4.23Å; F108-I413 HydrophobicContact CE2-CG2 3.81Å; I117-I413 HydrophobicContact CD1-CB 4.42Å; I117-I413 HydrophobicContact CD1-CG1 3.71Å; I117-I413 HydrophobicContact CG1-CG1 4.15Å; L120-I413 HydrophobicContact CD1-CD1 3.34Å; L120-I413 HydrophobicContact CD1-CG1 3.72Å; K409-I413 WeakPolarHBondContact O-CG1 3.39Å; F410-I413 HydrophobicContact CD1-CD1 3.7Å; F410-I413 PolarHBondContact O-N 3Å; F410-I413 HydrophobicContact CE1-CD1 4.3Å; F410-I413 WeakPolarHBondContact O-CB 3.3Å; R411-I413 VanDerWaalsContact C-N 3.33Å; I413-C417 HydrophobicContact CG2-CB 3.7Å; I413-F418 HydrophobicContact CB-CE2 4.37Å; I413-F418 HydrophobicContact CD1-CZ 4.32Å; I413-F418 HydrophobicContact CG2-CE2 3.6Å; I413-F418 HydrophobicContact CG2-CZ 4.02Å
414	E	93.4	Very high	92.9	Very high	128 Å²	128	43.6 Å²	43.6	60%	0.598	21%	0.208	S	C	*	.			trans	-69.3	144.4	171.3	-65.2	-62.4	166.5	0	0	111	E416 C417	E414-E416 PolarHBondContact O-N 3.07Å; E414-C417 VanDerWaalsContact O-CB 3.24Å; E414-C417 WeakPolarHBondContact O-CB 3.42Å; E414-C417 PolarHBondContact O-N 2.85Å; E414-C417 VanDerWaalsContact O-N 3.09Å
415	R	93	Very high	92.8	Very high	71 Å²	71	46.5 Å²	46.5	27%	0.268	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-63.7	-29.1	-175.3	-176.7	-162.8	61.5	-143	-14.5	112.3	M161 W162 C417 F418	M161-R415 WeakPolarHBondContact O-CD 3.46Å; M161-R415 PolarHBondContact O-NE 3.47Å; M161-R415 PolarHBondContact O-NH1 2.98Å; M161-R415 PolarHBondContact SD-NH1 2.94Å; W162-R415 HydrophobicContact CD2-CG 4.07Å; W162-R415 HydrophobicContact CE3-CG 4.04Å; W162-R415 HydrophobicContact CH2-CG 3.94Å; W162-R415 HydrophobicContact CZ2-CG 3.97Å; W162-R415 HydrophobicContact CZ3-CG 3.96Å; R415-C417 PolarHBondContact O-N 3.15Å; R415-F418 WeakPolarHBondContact O-CD2 3.39Å; R415-F418 PolarHBondContact O-N 2.76Å
416	E	92.8	Very high	92.7	Very high	109 Å²	109	48.6 Å²	48.6	51%	0.509	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-59.5	-12.5	176.8	-67	65.5	-143.9	0	0	112.8	E414 F418	E414-E416 PolarHBondContact O-N 3.07Å; E416-F418 PolarHBondContact O-N 3.01Å
417	C	94.1	Very high	92.6	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.014	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-78.5	2.3	172.5	-63	0	0	0	0	114.6	F108 H109 C115 I413 E414 R415	F108-C417 CarbonylContact C-O 3.56Å; F108-C417 WeakPolarHBondContact CA-O 3.3Å; F108-C417 HydrophobicContact CD2-CB 4.12Å; F108-C417 WeakPolarHBondContact CD2-O 3.31Å; F108-C417 HydrophobicContact CE2-CB 3.76Å; H109-C417 PolarHBondContact N-O 3.28Å; C115-C417 WeakPolarHBondContact CA-SG 3.46Å; C115-C417 HydrophobicContact CB-CB 3.59Å; C115-C417 WeakPolarHBondContact CB-SG 3.34Å; C115-C417 WeakPolarHBondContact SG-CA 3.46Å; C115-C417 WeakPolarHBondContact SG-CB 3.23Å; C115-C417 CovalentContact SG-SG 2.03Å; C115-C417 PolarHBondContact SG-SG 3.41Å; I413-C417 HydrophobicContact CG2-CB 3.7Å; E414-C417 VanDerWaalsContact O-CB 3.24Å; E414-C417 WeakPolarHBondContact O-CB 3.42Å; E414-C417 PolarHBondContact O-N 2.85Å; E414-C417 VanDerWaalsContact O-N 3.09Å; R415-C417 PolarHBondContact O-N 3.15Å
418	F	93.7	Very high	92.4	Very high	12 Å²	12	54.6 Å²	54.6	5%	0.053	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-119.1	142.5	-178.8	-60.1	-91.1	0	0	0	113.2	K99 F102 R107 F108 W162 L164 I413 R415 E416	K99-F418 HydrophobicContact CB-CE2 4.31Å; K99-F418 HydrophobicContact CB-CZ 3.82Å; K99-F418 HydrophobicContact CD-CE2 4.45Å; K99-F418 HydrophobicContact CG-CE2 3.75Å; K99-F418 HydrophobicContact CG-CZ 3.79Å; K99-F418 WeakPolarHBondContact O-CE1 3.49Å; F102-F418 HydrophobicContact CB-CD1 3.69Å; F102-F418 HydrophobicContact CB-CE1 4.11Å; R107-F418 CarbonylContact O-C 3.46Å; R107-F418 WeakPolarHBondContact O-CA 3.1Å; R107-F418 WeakPolarHBondContact O-CB 3.5Å; R107-F418 WeakPolarHBondContact O-CD1 3.48Å; F108-F418 HydrophobicContact CB-CD1 4.45Å; F108-F418 HydrophobicContact CB-CE1 4.46Å; F108-F418 HydrophobicContact CD2-CD1 4.24Å; F108-F418 AromaticContact CD2-CE1 3.87Å; F108-F418 HydrophobicContact CD2-CE1 3.87Å; F108-F418 HydrophobicContact CD2-CZ 4.02Å; F108-F418 HydrophobicContact CE2-CZ 4.48Å; W162-F418 AromaticContact CH2-CD2 3.91Å; W162-F418 HydrophobicContact CH2-CD2 3.91Å; W162-F418 HydrophobicContact CH2-CE2 4.19Å; W162-F418 HydrophobicContact CH2-CG 4.32Å; W162-F418 HydrophobicContact CZ3-CB 4.18Å; W162-F418 HydrophobicContact CZ3-CD2 4.12Å; W162-F418 HydrophobicContact CZ3-CG 4.13Å; L164-F418 HydrophobicContact CD1-CB 4.21Å; I413-F418 HydrophobicContact CB-CE2 4.37Å; I413-F418 HydrophobicContact CD1-CZ 4.32Å; I413-F418 HydrophobicContact CG2-CE2 3.6Å; I413-F418 HydrophobicContact CG2-CZ 4.02Å; R415-F418 WeakPolarHBondContact O-CD2 3.39Å; R415-F418 PolarHBondContact O-N 2.76Å; E416-F418 PolarHBondContact O-N 3.01Å
419	Q	86.7	Confident	92.4	Very high	107 Å²	107	54.1 Å²	54.1	50%	0.5	26%	0.256	S	S	.	.			trans	-134.9	0	-179	60.2	173.3	-8.8	0	0	115.6	R107 H109 P165	R107-Q419 WeakPolarHBondContact CB-O 3.48Å; R107-Q419 WeakPolarHBondContact CG-O 3.47Å; R107-Q419 PolarHBondContact NH1-O 2.94Å; R107-Q419 PolarHBondContact O-N 3.16Å; H109-Q419 PolarHBondContact CE1-OE1 3.34Å; H109-Q419 WeakPolarHBondContact NE2-CB 3.39Å; P165-Q419 VanDerWaalsContact CD-OXT 3.23Å; P165-Q419 WeakPolarHBondContact CD-OXT 3.38Å

Retrieved 419 of 419 residues in 313.2 ms (Link to these results)

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