A0A093HZ41_STRCA Loading...

3-oxoacyl-[acyl-carrier-protein] synthase

May play a role in the biosynthesis of lipoic acid as well as longer chain fatty acids required for optimal mitochondrial function.

AlphaFold DB , UniProt , Accession A0A093HZ41, Species STRCA (Struthio camelus australis), Gene n/a, Length 460 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	55.1	Low	54.9	Low	223 Å²	223	125.7 Å²	125.7	100%	1.099	65%	0.653	S	S	*	*				0	-14.8	0	-99.4	-176.3	-87.2	0	0	115.3
2	I	51	Low	55.2	Low	156 Å²	156	122.7 Å²	122.7	80%	0.8	64%	0.637	S	S	*	*	H	α-helix	trans	-88.3	-20.6	-178.1	-63	171.2	0	0	0	113.5
3	S	55.8	Low	55.2	Low	85 Å²	85	117.4 Å²	117.4	59%	0.594	62%	0.622	S	S	*	*	H	α-helix	trans	-76.7	-31.5	-177.1	163.3	0	0	0	0	114.9
4	Q	55.1	Low	55.4	Low	152 Å²	152	115.7 Å²	115.7	71%	0.71	61%	0.613	S	S	*	*	H	α-helix	trans	-75.6	-35.4	180	-93.9	171.2	-32.6	0	0	113	S6 Q7 E8	Q4-S6 PolarHBondContact O-N 3.43Å; Q4-Q7 PolarHBondContact O-N 3.28Å; Q4-E8 PolarHBondContact O-N 3.18Å
5	C	52.8	Low	55.5	Low	79 Å²	79	114.9 Å²	114.9	53%	0.534	61%	0.608	S	S	.	*	H	α-helix	trans	-67.1	-35.6	-179.3	-163.1	0	0	0	0	112.2	L9	C5-L9 PolarHBondContact O-N 3.41Å
6	S	53.9	Low	55.5	Low	66 Å²	66	115.9 Å²	115.9	46%	0.462	61%	0.609	S	S	.	*	H	α-helix	trans	-68.3	-36.1	176.4	-179	0	0	0	0	113	Q4 L10	Q4-S6 PolarHBondContact O-N 3.43Å; S6-L10 PolarHBondContact O-N 3.36Å
7	Q	58.1	Low	55.5	Low	125 Å²	125	112 Å²	112	58%	0.584	59%	0.593	S	S	*	*	H	α-helix	trans	-72.9	-32	178.2	-73.8	-174.1	-13.4	0	0	113.3	Q4 K11	Q4-Q7 PolarHBondContact O-N 3.28Å; Q7-K11 PolarHBondContact O-N 3.05Å
8	E	56.7	Low	55.6	Low	134 Å²	134	111.5 Å²	111.5	63%	0.626	59%	0.59	S	S	*	*	H	α-helix	trans	-71.1	-40.5	173.4	-78.7	-153.1	142.2	0	0	112.6	Q4 L10 K11 I12	Q4-E8 PolarHBondContact O-N 3.18Å; E8-L10 VanDerWaalsContact C-N 3.33Å; E8-L10 PolarHBondContact O-N 3.18Å; E8-K11 PolarHBondContact O-N 2.79Å; E8-K11 VanDerWaalsContact O-N 3.15Å; E8-I12 VanDerWaalsContact O-CG1 3.32Å; E8-I12 WeakPolarHBondContact O-CG1 2.8Å; E8-I12 PolarHBondContact O-N 2.78Å
9	L	54.5	Low	55.7	Low	114 Å²	114	113.5 Å²	113.5	60%	0.597	59%	0.594	S	S	*	*	H	α-helix	trans	-61.3	-39.8	175.7	-80	160.6	0	0	0	112.2	C5 I12 A13	C5-L9 PolarHBondContact O-N 3.41Å; L9-I12 PolarHBondContact O-N 2.93Å; L9-A13 WeakPolarHBondContact O-CB 3.3Å; L9-A13 PolarHBondContact O-N 3.47Å
10	L	54.8	Low	55.5	Low	106 Å²	106	113.1 Å²	113.1	56%	0.555	59%	0.591	S	S	*	*	H	α-helix	trans	-66.6	-35.8	173.9	-101.1	133.7	0	0	0	113.1	S6 E8 N14	S6-L10 PolarHBondContact O-N 3.36Å; E8-L10 VanDerWaalsContact C-N 3.33Å; E8-L10 PolarHBondContact O-N 3.18Å; L10-N14 WeakPolarHBondContact O-CB 3.18Å; L10-N14 PolarHBondContact O-N 3.35Å; L10-N14 PolarHBondContact O-ND2 3.22Å
11	K	56.5	Low	55.4	Low	143 Å²	143	112 Å²	112	62%	0.622	59%	0.586	S	S	*	*	H	α-helix	trans	-68.4	-41	174.3	-82	178.5	177.1	176.5	0	112	Q7 E8 N14 L15	Q7-K11 PolarHBondContact O-N 3.05Å; E8-K11 PolarHBondContact O-N 2.79Å; E8-K11 VanDerWaalsContact O-N 3.15Å; K11-N14 PolarHBondContact O-N 3.45Å; K11-L15 WeakPolarHBondContact O-CB 3.41Å; K11-L15 WeakPolarHBondContact O-CD1 3.47Å; K11-L15 WeakPolarHBondContact O-CG 3.24Å; K11-L15 PolarHBondContact O-N 3.49Å
12	I	57.8	Low	55.5	Low	89 Å²	89	107.7 Å²	107.7	46%	0.456	56%	0.563	S	S	.	*	H	α-helix	trans	-66.6	-42.8	178.1	-66.4	166.1	0	0	0	110.6	E8 L9 N14 L15 Q16	E8-I12 VanDerWaalsContact O-CG1 3.32Å; E8-I12 WeakPolarHBondContact O-CG1 2.8Å; E8-I12 PolarHBondContact O-N 2.78Å; L9-I12 PolarHBondContact O-N 2.93Å; I12-N14 PolarHBondContact O-N 3.03Å; I12-L15 PolarHBondContact O-N 2.87Å; I12-Q16 WeakPolarHBondContact O-CB 3.41Å; I12-Q16 WeakPolarHBondContact O-CG 3.28Å; I12-Q16 PolarHBondContact O-N 2.89Å
13	A	55.6	Low	55.4	Low	54 Å²	54	107.1 Å²	107.1	45%	0.446	55%	0.552	S	S	.	*	H	α-helix	trans	-62.3	-41.3	175.3	0	0	0	0	0	112.4	L9 Q16 S17	L9-A13 WeakPolarHBondContact O-CB 3.3Å; L9-A13 PolarHBondContact O-N 3.47Å; A13-Q16 PolarHBondContact O-N 3.17Å; A13-S17 PolarHBondContact O-N 3.12Å
14	N	58.2	Low	55.3	Low	94 Å²	94	107.8 Å²	107.8	50%	0.503	55%	0.549	S	S	.	.	H	α-helix	trans	-69.4	-36.7	176	-84.5	-25.1	0	0	0	113.1	L10 K11 I12 S17 L18	L10-N14 WeakPolarHBondContact O-CB 3.18Å; L10-N14 PolarHBondContact O-N 3.35Å; L10-N14 PolarHBondContact O-ND2 3.22Å; K11-N14 PolarHBondContact O-N 3.45Å; I12-N14 PolarHBondContact O-N 3.03Å; N14-S17 PolarHBondContact O-N 3.06Å; N14-S17 PolarHBondContact O-OG 3.49Å; N14-L18 WeakPolarHBondContact O-CB 3.2Å; N14-L18 WeakPolarHBondContact O-CD1 3.4Å; N14-L18 PolarHBondContact O-N 2.77Å
15	L	56	Low	55.3	Low	103 Å²	103	110.3 Å²	110.3	54%	0.539	55%	0.552	S	S	.	*	H	α-helix	trans	-68.6	-36.7	175.3	-84.1	158.6	0	0	0	112.2	K11 I12 K19	K11-L15 WeakPolarHBondContact O-CB 3.41Å; K11-L15 WeakPolarHBondContact O-CD1 3.47Å; K11-L15 WeakPolarHBondContact O-CG 3.24Å; K11-L15 PolarHBondContact O-N 3.49Å; I12-L15 PolarHBondContact O-N 2.87Å; L15-K19 WeakPolarHBondContact O-CB 3.36Å; L15-K19 WeakPolarHBondContact O-CG 3.42Å; L15-K19 PolarHBondContact O-N 3.33Å
16	Q	56.1	Low	55.1	Low	132 Å²	132	115.3 Å²	115.3	62%	0.617	56%	0.564	S	S	*	*	H	α-helix	trans	-68.8	-39.1	173.1	-75.5	-179.1	-17.6	0	0	111.7	I12 A13 K19 L20	I12-Q16 WeakPolarHBondContact O-CB 3.41Å; I12-Q16 WeakPolarHBondContact O-CG 3.28Å; I12-Q16 PolarHBondContact O-N 2.89Å; A13-Q16 PolarHBondContact O-N 3.17Å; Q16-K19 PolarHBondContact O-N 3.06Å; Q16-L20 VanDerWaalsContact O-CB 3.26Å; Q16-L20 WeakPolarHBondContact O-CB 3.37Å; Q16-L20 PolarHBondContact O-N 3.11Å
17	S	55.3	Low	54.8	Low	49 Å²	49	117.4 Å²	117.4	34%	0.343	57%	0.567	S	S	.	*	H	α-helix	trans	-68.1	-36.2	175.5	98.2	0	0	0	0	112.4	A13 N14 N21	A13-S17 PolarHBondContact O-N 3.12Å; N14-S17 PolarHBondContact O-N 3.06Å; N14-S17 PolarHBondContact O-OG 3.49Å; S17-N21 VanDerWaalsContact O-CB 3.26Å; S17-N21 WeakPolarHBondContact O-CB 3.3Å; S17-N21 PolarHBondContact O-N 3.27Å; S17-N21 PolarHBondContact O-ND2 2.86Å
18	L	57.3	Low	54.3	Low	103 Å²	103	121.7 Å²	121.7	54%	0.539	58%	0.577	S	S	.	*	H	α-helix	trans	-68.5	-41.4	174.6	-88.9	155.7	0	0	0	112.2	N14 N21 Q22	N14-L18 WeakPolarHBondContact O-CB 3.2Å; N14-L18 WeakPolarHBondContact O-CD1 3.4Å; N14-L18 PolarHBondContact O-N 2.77Å; L18-N21 PolarHBondContact O-N 3.12Å; L18-Q22 WeakPolarHBondContact O-CB 3.34Å; L18-Q22 PolarHBondContact O-N 2.93Å
19	K	57.3	Low	53.8	Low	150 Å²	150	125.6 Å²	125.6	65%	0.652	59%	0.586	S	S	*	*	H	α-helix	trans	-68.2	-38.2	174.7	-77.5	-178.2	177.7	-178.2	0	112.1	L15 Q16 Q22 Y23	L15-K19 WeakPolarHBondContact O-CB 3.36Å; L15-K19 WeakPolarHBondContact O-CG 3.42Å; L15-K19 PolarHBondContact O-N 3.33Å; Q16-K19 PolarHBondContact O-N 3.06Å; K19-Q22 PolarHBondContact O-N 2.96Å; K19-Y23 VanDerWaalsContact O-CB 3.28Å; K19-Y23 WeakPolarHBondContact O-CB 3.25Å; K19-Y23 PolarHBondContact O-N 2.67Å
20	L	52.5	Low	53.4	Low	105 Å²	105	124.7 Å²	124.7	55%	0.55	60%	0.596	S	S	.	*	H	α-helix	trans	-66.1	-42.1	173.9	-169.2	69.3	0	0	0	111.2	Q16 Y23 L24	Q16-L20 VanDerWaalsContact O-CB 3.26Å; Q16-L20 WeakPolarHBondContact O-CB 3.37Å; Q16-L20 PolarHBondContact O-N 3.11Å; L20-Y23 PolarHBondContact O-N 2.76Å; L20-L24 HydrophobicContact CG-CD1 4.15Å; L20-L24 WeakPolarHBondContact O-CB 3.44Å; L20-L24 WeakPolarHBondContact O-CG 3.39Å; L20-L24 PolarHBondContact O-N 2.97Å
21	N	54.1	Low	53.1	Low	90 Å²	90	128 Å²	128	48%	0.481	61%	0.606	S	S	.	*	H	α-helix	trans	-67.5	-35.5	174.9	-84.2	-50.7	0	0	0	113	S17 L18 R25	S17-N21 VanDerWaalsContact O-CB 3.26Å; S17-N21 WeakPolarHBondContact O-CB 3.3Å; S17-N21 PolarHBondContact O-N 3.27Å; S17-N21 PolarHBondContact O-ND2 2.86Å; L18-N21 PolarHBondContact O-N 3.12Å; N21-R25 VanDerWaalsContact O-CB 3.27Å; N21-R25 WeakPolarHBondContact O-CB 3.29Å; N21-R25 VanDerWaalsContact O-CG 3.25Å; N21-R25 WeakPolarHBondContact O-CG 3.17Å; N21-R25 PolarHBondContact O-N 3.4Å
22	Q	55.9	Low	52.9	Low	133 Å²	133	126 Å²	126	62%	0.621	61%	0.609	S	S	*	*	H	α-helix	trans	-69.6	-39.2	172.2	-85.2	-176.6	-14.8	0	0	112	L18 K19 R25 K26	L18-Q22 WeakPolarHBondContact O-CB 3.34Å; L18-Q22 PolarHBondContact O-N 2.93Å; K19-Q22 PolarHBondContact O-N 2.96Å; Q22-R25 PolarHBondContact O-N 2.92Å; Q22-K26 WeakPolarHBondContact O-CB 3.43Å; Q22-K26 PolarHBondContact O-N 3.29Å
23	Y	50	Low	52.8	Low	144 Å²	144	128 Å²	128	57%	0.565	63%	0.627	S	S	*	*	H	α-helix	trans	-64.2	-45.4	174.6	-172.5	-99	0	0	0	111.5	K19 L20 R25 K26 H27	K19-Y23 VanDerWaalsContact O-CB 3.28Å; K19-Y23 WeakPolarHBondContact O-CB 3.25Å; K19-Y23 PolarHBondContact O-N 2.67Å; L20-Y23 PolarHBondContact O-N 2.76Å; Y23-R25 VanDerWaalsContact C-N 3.33Å; Y23-R25 PolarHBondContact O-N 2.85Å; Y23-K26 PolarHBondContact O-N 2.78Å; Y23-H27 AromaticContact CE1-CD2 3.61Å; Y23-H27 AromaticContact CE2-CD2 3.55Å; Y23-H27 AromaticContact CE2-NE2 3.39Å; Y23-H27 WeakPolarHBondContact CE2-NE2 3.34Å; Y23-H27 AromaticContact CZ-CD2 3.31Å; Y23-H27 AromaticContact CZ-NE2 3.54Å; Y23-H27 WeakPolarHBondContact O-CB 3.33Å; Y23-H27 PolarHBondContact O-N 2.97Å
24	L	51.9	Low	52.8	Low	99 Å²	99	134 Å²	134	52%	0.518	64%	0.642	S	S	.	*	H	α-helix	trans	-64.9	-33.7	174.1	-70.4	169.2	0	0	0	112.5	L20 R28	L20-L24 HydrophobicContact CG-CD1 4.15Å; L20-L24 WeakPolarHBondContact O-CB 3.44Å; L20-L24 WeakPolarHBondContact O-CG 3.39Å; L20-L24 PolarHBondContact O-N 2.97Å; L24-R28 PolarHBondContact O-N 3.36Å
25	R	55.8	Low	52.9	Low	205 Å²	205	134.7 Å²	134.7	77%	0.774	65%	0.654	S	S	*	*	H	α-helix	trans	-71.4	-37.1	172.4	-81.1	177.9	172.6	-173.7	-1.7	112.8	N21 Q22 Y23 H27	N21-R25 VanDerWaalsContact O-CB 3.27Å; N21-R25 WeakPolarHBondContact O-CB 3.29Å; N21-R25 VanDerWaalsContact O-CG 3.25Å; N21-R25 WeakPolarHBondContact O-CG 3.17Å; N21-R25 PolarHBondContact O-N 3.4Å; Q22-R25 PolarHBondContact O-N 2.92Å; Y23-R25 VanDerWaalsContact C-N 3.33Å; Y23-R25 PolarHBondContact O-N 2.85Å; R25-H27 VanDerWaalsContact C-N 3.32Å
26	K	49.2	Very low	53.1	Low	183 Å²	183	137 Å²	137	80%	0.796	67%	0.667	S	S	*	*	H	α-helix	trans	-77.1	-17.4	177.8	-130.8	177.5	-177.2	-176.6	0	112.9	Q22 Y23	Q22-K26 WeakPolarHBondContact O-CB 3.43Å; Q22-K26 PolarHBondContact O-N 3.29Å; Y23-K26 PolarHBondContact O-N 2.78Å
27	H	48.1	Very low	53.2	Low	111 Å²	111	136.7 Å²	136.7	51%	0.514	68%	0.676	S	S	.	*	T	Hydrogen-bonded Turn	trans	-118.7	17.5	179.1	-66.2	-11.4	0	0	0	114.2	Y23 R25 R29	Y23-H27 AromaticContact CE1-CD2 3.61Å; Y23-H27 AromaticContact CE2-CD2 3.55Å; Y23-H27 AromaticContact CE2-NE2 3.39Å; Y23-H27 WeakPolarHBondContact CE2-NE2 3.34Å; Y23-H27 AromaticContact CZ-CD2 3.31Å; Y23-H27 AromaticContact CZ-NE2 3.54Å; Y23-H27 WeakPolarHBondContact O-CB 3.33Å; Y23-H27 PolarHBondContact O-N 2.97Å; R25-H27 VanDerWaalsContact C-N 3.32Å; H27-R29 PolarHBondContact O-N 3.04Å
28	R	46.8	Very low	53.6	Low	215 Å²	215	140 Å²	140	81%	0.811	70%	0.695	S	S	*	*			trans	-64.1	82.8	150.8	-88.8	-175.8	174.8	-168.2	-2.2	107	L24 A30	L24-R28 PolarHBondContact O-N 3.36Å; R28-A30 VanDerWaalsContact C-N 3.31Å; R28-A30 PolarHBondContact O-N 2.79Å
29	R	46.6	Very low	54.3	Low	215 Å²	215	140.9 Å²	140.9	81%	0.811	71%	0.708	S	S	*	*			trans	-48.3	111.5	150.1	-80.1	-177.9	174.1	-178.9	-1.9	104	H27 F31	H27-R29 PolarHBondContact O-N 3.04Å; R29-F31 PolarHBondContact O-N 3.31Å
30	A	46.3	Very low	55.7	Low	96 Å²	96	138.3 Å²	138.3	79%	0.793	69%	0.694	S	S	*	*			trans	-57.6	96.7	161.4	0	0	0	0	0	104.4	R28 S32	R28-A30 VanDerWaalsContact C-N 3.31Å; R28-A30 PolarHBondContact O-N 2.79Å; A30-S32 PolarHBondContact O-N 2.88Å
31	F	48.8	Very low	57.9	Low	175 Å²	175	136.2 Å²	136.2	77%	0.768	68%	0.679	S	S	*	*			trans	-55.9	106.2	157	-74.5	-84.4	0	0	0	103.1	R29 T33	R29-F31 PolarHBondContact O-N 3.31Å; F31-T33 PolarHBondContact O-N 2.83Å
32	S	50.7	Low	60	Low	100 Å²	100	136.6 Å²	136.6	70%	0.699	67%	0.673	S	S	*	*			trans	-57.3	100.8	161.6	167.5	0	0	0	0	105	A30 K34	A30-S32 PolarHBondContact O-N 2.88Å; S32-K34 PolarHBondContact O-N 3.25Å
33	T	55.7	Low	62	Low	133 Å²	133	130.3 Å²	130.3	82%	0.816	64%	0.644	S	S	*	*			trans	-76.3	2.6	-179.7	47.3	0	0	0	0	112.3	F31 S35	F31-T33 PolarHBondContact O-N 2.83Å; T33-S35 PolarHBondContact O-N 3.19Å
34	K	56.4	Low	64.3	Low	179 Å²	179	123.4 Å²	123.4	78%	0.778	62%	0.617	S	S	*	*			trans	-75.5	104.4	169.2	-73.7	-173.7	176.6	-176.7	0	107.9	S32 L36	S32-K34 PolarHBondContact O-N 3.25Å; K34-L36 PolarHBondContact O-N 2.94Å
35	S	60.9	Low	66.6	Low	108 Å²	108	118.7 Å²	118.7	76%	0.755	59%	0.592	S	S	*	*			trans	-49.1	127.7	165	54.5	0	0	0	0	108.5	T33	T33-S35 PolarHBondContact O-N 3.19Å
36	L	59.4	Low	68.6	Low	153 Å²	153	109 Å²	109	80%	0.801	56%	0.556	S	S	*	*			trans	-56.4	135.8	165.7	-71.6	165.5	0	0	0	107.4	K34 T38	K34-L36 PolarHBondContact O-N 2.94Å; L36-T38 PolarHBondContact O-N 2.86Å
37	P	58.8	Low	71	Confident	124 Å²	124	100.3 Å²	100.3	81%	0.805	52%	0.518	S	S	*	.			trans	-61.6	108.8	175.3	24.2	-30	0	0	0	107.7	C39	P37-C39 PolarHBondContact O-N 2.89Å
38	T	62.5	Low	73.4	Confident	120 Å²	120	95 Å²	95	74%	0.736	49%	0.493	S	S	*	.			trans	-70	124.7	167.2	48.9	0	0	0	0	106.7	L36 R40	L36-T38 PolarHBondContact O-N 2.86Å; T38-R40 PolarHBondContact O-N 3.34Å; T38-R40 VanDerWaalsContact O-N 3.07Å
39	C	71.9	Confident	75.9	Confident	121 Å²	121	84.8 Å²	84.8	82%	0.818	46%	0.455	S	S	*	.			trans	-63.5	113.1	172.7	-170.1	0	0	0	0	107.2	P37 R41	P37-C39 PolarHBondContact O-N 2.89Å; C39-R41 PolarHBondContact O-N 3.41Å
40	R	87.9	Confident	78.4	Confident	95 Å²	95	74.5 Å²	74.5	36%	0.358	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-65.5	119.4	177	-173.5	-173.7	-173.9	160.1	8.8	108	T38 A223 D335	T38-R40 PolarHBondContact O-N 3.34Å; T38-R40 VanDerWaalsContact O-N 3.07Å; R40-A223 HydrophobicContact CG-CB 3.8Å; R40-D335 IonicContact CZ-OD1 2.73Å; R40-D335 IonicContact CZ-OD2 3.98Å; R40-D335 PolarHBondContact NH1-O 3.11Å; R40-D335 IonicContact NH1-OD1 3.17Å; R40-D335 PolarHBondContact NH1-OD1 3.48Å; R40-D335 IonicContact NH1-OD2 3.32Å; R40-D335 IonicContact NH2-OD1 3.69Å; R40-D335 PolarHBondContact NH2-OD1 3.27Å; R40-D335 VanDerWaalsContact NH2-OD1 3.15Å; R40-D335 IonicContact NH2-OD2 2.87Å; R40-D335 PolarHBondContact NH2-OD2 3.03Å
41	R	97.3	Very high	80.9	Confident	62 Å²	62	70 Å²	70	23%	0.234	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-65.2	141.8	178.4	-58.6	-167.9	-62.4	170	0.6	109.9	C39 I222 A223 A227 D228 E288	C39-R41 PolarHBondContact O-N 3.41Å; R41-I222 PolarHBondContact NE-O 2.75Å; R41-I222 PolarHBondContact NH2-O 3.03Å; R41-A223 PolarHBondContact N-O 3.4Å; R41-A227 PolarHBondContact NH2-O 3.07Å; R41-D228 IonicContact CZ-OD1 3.36Å; R41-D228 IonicContact NH1-OD1 3.61Å; R41-D228 PolarHBondContact NH1-OD1 3.06Å; R41-D228 IonicContact NH2-OD1 2.79Å; R41-E288 HydrophobicContact CB-CG 4.06Å
42	R	98.4	Very high	83.3	Confident	97 Å²	97	61.6 Å²	61.6	37%	0.366	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-78.1	143.8	176.2	-68.3	173.9	66.1	-151.8	0.1	108.8	Y289 E302	R42-Y289 HydrophobicContact CB-CG 4.22Å; R42-Y289 PolarHBondContact O-N 3.33Å; R42-E302 IonicContact CZ-OE1 3.73Å; R42-E302 IonicContact CZ-OE2 3.65Å; R42-E302 IonicContact NE-OE1 3.73Å; R42-E302 PolarHBondContact NE-OE1 3.33Å; R42-E302 IonicContact NE-OE2 2.66Å; R42-E302 IonicContact NH2-OE1 3.03Å; R42-E302 PolarHBondContact NH2-OE1 2.93Å; R42-E302 IonicContact NH2-OE2 3.37Å; R42-E302 PolarHBondContact NH2-OE2 3.41Å
43	V	98.9	Very high	85.6	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.006	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	132.3	-174.7	-172.4	0	0	0	0	109.3	F219 I222 A223 L286 E287 E302 V303	V43-F219 HydrophobicContact CB-CD2 3.73Å; V43-F219 HydrophobicContact CB-CE2 4.21Å; V43-F219 HydrophobicContact CG1-CD2 4.27Å; V43-F219 HydrophobicContact CG2-CD2 3.64Å; V43-F219 HydrophobicContact CG2-CE2 4.02Å; V43-I222 HydrophobicContact CB-CG2 4.47Å; V43-I222 HydrophobicContact CG1-CB 4.21Å; V43-I222 HydrophobicContact CG1-CD1 3.84Å; V43-I222 HydrophobicContact CG1-CG2 4.19Å; V43-I222 HydrophobicContact CG2-CB 3.84Å; V43-I222 HydrophobicContact CG2-CG2 3.66Å; V43-A223 HydrophobicContact CG2-CB 4.18Å; V43-L286 HydrophobicContact CG1-CB 4.1Å; V43-L286 HydrophobicContact CG1-CD2 4.1Å; V43-E287 WeakPolarHBondContact CA-O 3.45Å; V43-E302 WeakPolarHBondContact O-CG 3.3Å; V43-V303 PolarHBondContact O-N 3.12Å
44	V	98.9	Very high	87.6	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	160.2	-176.8	-67.4	0	0	0	0	112.1	T46 L286 E287 Y289 A292 I299 A301 E302	V44-T46 HydrophobicContact CG2-CG2 4.02Å; V44-L286 CarbonylContact O-C 3.55Å; V44-L286 WeakPolarHBondContact O-CA 3.41Å; V44-E287 HydrophobicContact CG2-CB 4.5Å; V44-E287 WeakPolarHBondContact CG2-O 3.37Å; V44-E287 PolarHBondContact N-O 2.74Å; V44-E287 PolarHBondContact O-N 2.94Å; V44-Y289 HydrophobicContact CG1-CD2 3.66Å; V44-Y289 HydrophobicContact CG1-CE2 4.45Å; V44-A292 HydrophobicContact CG2-CB 3.84Å; V44-I299 HydrophobicContact CB-CG2 3.48Å; V44-I299 VanDerWaalsContact CB-CG2 3.48Å; V44-I299 HydrophobicContact CG1-CG2 3.77Å; V44-I299 HydrophobicContact CG2-CD1 4.32Å; V44-I299 HydrophobicContact CG2-CG1 4.41Å; V44-I299 HydrophobicContact CG2-CG2 3.91Å; V44-A301 CarbonylContact C-O 3.5Å; V44-A301 WeakPolarHBondContact CA-O 3.42Å; V44-E302 HydrophobicContact CG1-CB 4.23Å; V44-E302 HydrophobicContact CG1-CG 4.18Å
45	V	98.9	Very high	89.6	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	120.4	172.5	-176.4	0	0	0	0	109	I48 L284 V285 L286 Y300 A301 V303 T400 F457	V45-I48 HydrophobicContact CG1-CD1 4.43Å; V45-I48 HydrophobicContact CG1-CG1 3.96Å; V45-L284 HydrophobicContact CG1-CB 4.32Å; V45-L284 HydrophobicContact CG1-CD2 4.02Å; V45-L284 HydrophobicContact CG2-CD2 4.11Å; V45-V285 WeakPolarHBondContact CA-O 3.33Å; V45-L286 HydrophobicContact CG2-CD2 3.92Å; V45-Y300 HydrophobicContact CG1-CD2 4.36Å; V45-Y300 PolarHBondContact O-N 3.02Å; V45-A301 PolarHBondContact N-O 2.92Å; V45-V303 HydrophobicContact CG2-CG2 4.19Å; V45-T400 HydrophobicContact CB-CG2 4.02Å; V45-T400 HydrophobicContact CG1-CG2 4.02Å; V45-T400 HydrophobicContact CG2-CG2 4.21Å; V45-F457 HydrophobicContact CG2-CE1 4.01Å
46	T	98.9	Very high	91.4	Very high	1 Å²	1	38 Å²	38	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	-19.8	-179.2	54.1	0	0	0	0	113.8	V44 A132 V285 E287 A292 A297 R298 I299	V44-T46 HydrophobicContact CG2-CG2 4.02Å; T46-A132 WeakPolarHBondContact O-CA 3.27Å; T46-V285 PolarHBondContact N-O 2.83Å; T46-E287 WeakPolarHBondContact CB-OE2 3.26Å; T46-E287 HydrophobicContact CG2-CB 3.99Å; T46-E287 VanDerWaalsContact CG2-OE2 3.23Å; T46-E287 WeakPolarHBondContact CG2-OE2 3.29Å; T46-E287 PolarHBondContact OG1-OE2 2.77Å; T46-A292 HydrophobicContact CG2-CB 3.86Å; T46-A297 HydrophobicContact CG2-CB 3.85Å; T46-R298 WeakPolarHBondContact CA-O 3.46Å; T46-I299 HydrophobicContact CG2-CG1 4.49Å
47	G	98.9	Very high	93.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	151.6	175.8	0	0	0	0	0	113.2	D131 L284 V285	G47-D131 WeakPolarHBondContact CA-OD2 3.5Å; G47-L284 CarbonylContact O-C 3.15Å; G47-L284 WeakPolarHBondContact O-CA 3.45Å; G47-V285 PolarHBondContact O-N 3.04Å
48	I	98.9	Very high	95.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	135	178.5	-58.8	173.7	0	0	0	108.9	V45 L50 T58 D131 Y300 A397 T400 L401	V45-I48 HydrophobicContact CG1-CD1 4.43Å; V45-I48 HydrophobicContact CG1-CG1 3.96Å; I48-L50 HydrophobicContact CG2-CD2 4.02Å; I48-L50 HydrophobicContact CG2-CG 4.03Å; I48-T58 VanDerWaalsContact C-OG1 3.26Å; I48-T58 HydrophobicContact CB-CG2 3.88Å; I48-T58 HydrophobicContact CG2-CG2 3.68Å; I48-T58 PolarHBondContact O-OG1 3.45Å; I48-D131 PolarHBondContact N-OD2 3.48Å; I48-Y300 HydrophobicContact CD1-CD2 4.25Å; I48-Y300 HydrophobicContact CD1-CE2 4.39Å; I48-Y300 HydrophobicContact CD1-CG 4.33Å; I48-Y300 HydrophobicContact CG1-CD2 4.34Å; I48-Y300 HydrophobicContact CG1-CE2 4.3Å; I48-A397 HydrophobicContact CG2-CB 3.67Å; I48-T400 HydrophobicContact CD1-CG2 3.81Å; I48-L401 HydrophobicContact CD1-CD2 3.98Å; I48-L401 HydrophobicContact CD1-CG 3.92Å
49	G	98.9	Very high	96.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	128.3	174.1	0	0	0	0	0	111.8	A124 A282 V283	G49-A124 WeakPolarHBondContact CA-O 3.13Å; G49-A282 WeakPolarHBondContact O-CA 3.43Å; G49-V283 PolarHBondContact N-O 2.91Å; G49-V283 PolarHBondContact O-N 2.93Å
50	L	98.9	Very high	98.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	129.9	-172.4	-57.8	-176.7	0	0	0	111.8	I48 V56 G57 T58 V61 A282 I394 A397 F398	I48-L50 HydrophobicContact CG2-CD2 4.02Å; I48-L50 HydrophobicContact CG2-CG 4.03Å; L50-V56 WeakPolarHBondContact O-CA 3.36Å; L50-G57 PolarHBondContact O-N 2.9Å; L50-T58 HydrophobicContact CD1-CG2 4.39Å; L50-V61 HydrophobicContact CB-CG2 4.36Å; L50-V61 HydrophobicContact CD1-CB 4.08Å; L50-V61 HydrophobicContact CD1-CG1 3.83Å; L50-A282 HydrophobicContact CD2-CB 3.61Å; L50-I394 HydrophobicContact CD2-CG1 4.15Å; L50-A397 HydrophobicContact CD2-CB 3.8Å; L50-F398 HydrophobicContact CD1-CD1 4.48Å; L50-F398 HydrophobicContact CD1-CE1 3.84Å
51	V	98.9	Very high	98.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	109.2	165.4	176.2	0	0	0	0	106.2	V56 V91 F100 M120 A124 L127 G280 A281	V51-V56 HydrophobicContact CG1-CG2 4.26Å; V51-V56 HydrophobicContact CG2-CG1 4.22Å; V51-V91 HydrophobicContact CG1-CG1 3.79Å; V51-V91 HydrophobicContact CG1-CG2 4.01Å; V51-F100 HydrophobicContact CG1-CD2 3.72Å; V51-F100 HydrophobicContact CG1-CE2 3.98Å; V51-F100 HydrophobicContact CG1-CG 4.07Å; V51-F100 HydrophobicContact CG2-CD2 4.03Å; V51-F100 HydrophobicContact CG2-CE2 3.89Å; V51-M120 HydrophobicContact CG1-CB 4.23Å; V51-M120 HydrophobicContact CG1-CG 4.07Å; V51-M120 HydrophobicContact CG1-SD 4.45Å; V51-A124 HydrophobicContact CG2-CB 4.13Å; V51-L127 HydrophobicContact CG2-CD1 4.39Å; V51-G280 CarbonylContact O-C 3.55Å; V51-G280 WeakPolarHBondContact O-CA 3.34Å; V51-A281 PolarHBondContact N-O 3.09Å; V51-A281 PolarHBondContact O-N 2.88Å; V51-A281 VanDerWaalsContact O-O 3.06Å
52	S	98.8	Very high	98.8	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	170.9	-168.5	76.6	0	0	0	0	112.8	L54 G55 V61 P92	S52-L54 PolarHBondContact O-N 3.33Å; S52-L54 PolarHBondContact OG-N 3.28Å; S52-G55 PolarHBondContact N-O 3.28Å; S52-G55 CarbonylContact O-C 3.59Å; S52-G55 WeakPolarHBondContact O-CA 3.47Å; S52-G55 PolarHBondContact O-N 3.01Å; S52-G55 VanDerWaalsContact O-O 3.06Å; S52-G55 PolarHBondContact OG-N 3.49Å; S52-G55 PolarHBondContact OG-O 2.88Å; S52-V61 WeakPolarHBondContact OG-CG2 3.38Å; S52-P92 VanDerWaalsContact O-CD 3.32Å; S52-P92 WeakPolarHBondContact O-CD 3.39Å
53	P	98.8	Very high	98.8	Very high	6 Å²	6	13.2 Å²	13.2	4%	0.039	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-17.3	174.8	-27.3	41.8	0	0	0	114.4	G55 G71 A89 C90 E279 T384 L387	P53-G55 VanDerWaalsContact C-N 3.28Å; P53-G71 WeakPolarHBondContact O-CA 3.42Å; P53-A89 HydrophobicContact CB-CB 3.68Å; P53-A89 HydrophobicContact CG-CB 3.67Å; P53-A89 WeakPolarHBondContact CG-O 3.34Å; P53-C90 WeakPolarHBondContact CA-O 3.27Å; P53-C90 WeakPolarHBondContact CB-O 3.41Å; P53-E279 VanDerWaalsContact CD-O 3.3Å; P53-E279 WeakPolarHBondContact CD-O 3.48Å; P53-E279 WeakPolarHBondContact CG-O 3.23Å; P53-T384 WeakPolarHBondContact CG-O 3.18Å; P53-L387 HydrophobicContact CG-CD1 4.42Å
54	L	98.8	Very high	98.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-10.6	169.9	-66.2	177.6	0	0	0	112.5	S52 F60 V61 R64 L65 D69 A383 T384	S52-L54 PolarHBondContact O-N 3.33Å; S52-L54 PolarHBondContact OG-N 3.28Å; L54-F60 WeakPolarHBondContact O-CE1 3.31Å; L54-V61 HydrophobicContact CB-CG1 4.1Å; L54-V61 HydrophobicContact CD1-CG1 4.25Å; L54-R64 VanDerWaalsContact O-CD 3.29Å; L54-R64 WeakPolarHBondContact O-CD 2.94Å; L54-R64 PolarHBondContact O-NH1 3.41Å; L54-L65 HydrophobicContact CD1-CB 3.9Å; L54-L65 HydrophobicContact CD1-CD1 4.23Å; L54-D69 HydrophobicContact CD2-CB 4.03Å; L54-D69 WeakPolarHBondContact CD2-O 3.26Å; L54-A383 HydrophobicContact CD1-CB 4.04Å; L54-A383 HydrophobicContact CD2-CB 4.32Å; L54-T384 HydrophobicContact CD1-CG2 3.92Å; L54-T384 HydrophobicContact CG-CG2 4.18Å
55	G	98.7	Very high	98.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	128.2	-168.8	-179.7	0	0	0	0	0	113.4	S52 P53 V61 G98	S52-G55 PolarHBondContact N-O 3.28Å; S52-G55 CarbonylContact O-C 3.59Å; S52-G55 WeakPolarHBondContact O-CA 3.47Å; S52-G55 PolarHBondContact O-N 3.01Å; S52-G55 VanDerWaalsContact O-O 3.06Å; S52-G55 PolarHBondContact OG-N 3.49Å; S52-G55 PolarHBondContact OG-O 2.88Å; P53-G55 VanDerWaalsContact C-N 3.28Å; G55-V61 VanDerWaalsContact C-CG2 3.48Å; G55-V61 WeakPolarHBondContact O-CG2 3.38Å; G55-G98 CarbonylContact C-O 3.47Å; G55-G98 WeakPolarHBondContact CA-O 3.45Å
56	V	98.8	Very high	98.8	Very high	18 Å²	18	18.2 Å²	18.2	11%	0.109	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	133.6	-176.3	-177.8	0	0	0	0	110.4	L50 V51 V91 G98 F100 L127	L50-V56 WeakPolarHBondContact O-CA 3.36Å; V51-V56 HydrophobicContact CG1-CG2 4.26Å; V51-V56 HydrophobicContact CG2-CG1 4.22Å; V56-V91 HydrophobicContact CG2-CG1 4.48Å; V56-G98 PolarHBondContact N-O 2.9Å; V56-F100 HydrophobicContact CG2-CB 3.61Å; V56-F100 HydrophobicContact CG2-CD2 3.94Å; V56-F100 HydrophobicContact CG2-CG 4.24Å; V56-L127 HydrophobicContact CG1-CD1 3.65Å
57	G	98.6	Very high	98.8	Very high	16 Å²	16	25.1 Å²	25.1	17%	0.165	12%	0.123	C	C	.	.	S	Bend	trans	101.4	133.2	-178.6	0	0	0	0	0	113	L50 Q59 F60 V61	L50-G57 PolarHBondContact O-N 2.9Å; G57-Q59 PolarHBondContact O-N 3.23Å; G57-F60 PolarHBondContact O-N 3.07Å; G57-V61 WeakPolarHBondContact O-CB 3.11Å; G57-V61 VanDerWaalsContact O-CG2 3.29Å; G57-V61 WeakPolarHBondContact O-CG2 3.47Å; G57-V61 PolarHBondContact O-N 3.32Å
58	T	98.6	Very high	98.8	Very high	13 Å²	13	26.2 Å²	26.2	8%	0.08	14%	0.135	C	C	.	.	H	α-helix	trans	-60.8	-51.5	-167.4	-58.7	0	0	0	0	113.5	I48 L50 V61 W62 L401	I48-T58 VanDerWaalsContact C-OG1 3.26Å; I48-T58 HydrophobicContact CB-CG2 3.88Å; I48-T58 HydrophobicContact CG2-CG2 3.68Å; I48-T58 PolarHBondContact O-OG1 3.45Å; L50-T58 HydrophobicContact CD1-CG2 4.39Å; T58-V61 PolarHBondContact O-N 3.39Å; T58-W62 VanDerWaalsContact O-CB 3.27Å; T58-W62 WeakPolarHBondContact O-CB 3.48Å; T58-W62 PolarHBondContact O-N 2.66Å; T58-L401 HydrophobicContact CG2-CD1 3.98Å; T58-L401 HydrophobicContact CG2-CD2 4.15Å
59	Q	98.5	Very high	98.7	Very high	83 Å²	83	28.8 Å²	28.8	39%	0.388	15%	0.149	S	C	.	.	H	α-helix	trans	-68.2	-38.2	-178.2	-167.7	62.4	39.1	0	0	112.3	G57 W62 N63 Y405	G57-Q59 PolarHBondContact O-N 3.23Å; Q59-W62 PolarHBondContact O-N 3.23Å; Q59-N63 PolarHBondContact NE2-OD1 3.21Å; Q59-N63 WeakPolarHBondContact O-CB 3.46Å; Q59-N63 PolarHBondContact O-N 3.06Å; Q59-N63 PolarHBondContact O-ND2 3.25Å; Q59-Y405 PolarHBondContact OE1-OH 2.84Å
60	F	98.8	Very high	98.7	Very high	64 Å²	64	29.7 Å²	29.7	28%	0.281	16%	0.155	S	C	.	.	H	α-helix	trans	-60.1	-51.9	176.9	-178.2	-91.8	0	0	0	110.7	L54 G57 W62 N63 R64	L54-F60 WeakPolarHBondContact O-CE1 3.31Å; G57-F60 PolarHBondContact O-N 3.07Å; F60-W62 PolarHBondContact O-N 3.26Å; F60-N63 PolarHBondContact O-N 3.35Å; F60-R64 HydrophobicContact CE1-CG 4.44Å; F60-R64 WeakPolarHBondContact O-CG 3.25Å; F60-R64 PolarHBondContact O-N 2.65Å
61	V	98.9	Very high	98.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.2	-44.5	178.4	171.3	0	0	0	0	111.5	L50 S52 L54 G55 G57 T58 N63 R64 L65 F398	L50-V61 HydrophobicContact CB-CG2 4.36Å; L50-V61 HydrophobicContact CD1-CB 4.08Å; L50-V61 HydrophobicContact CD1-CG1 3.83Å; S52-V61 WeakPolarHBondContact OG-CG2 3.38Å; L54-V61 HydrophobicContact CB-CG1 4.1Å; L54-V61 HydrophobicContact CD1-CG1 4.25Å; G55-V61 VanDerWaalsContact C-CG2 3.48Å; G55-V61 WeakPolarHBondContact O-CG2 3.38Å; G57-V61 WeakPolarHBondContact O-CB 3.11Å; G57-V61 VanDerWaalsContact O-CG2 3.29Å; G57-V61 WeakPolarHBondContact O-CG2 3.47Å; G57-V61 PolarHBondContact O-N 3.32Å; T58-V61 PolarHBondContact O-N 3.39Å; V61-N63 PolarHBondContact O-N 2.88Å; V61-R64 PolarHBondContact O-N 2.9Å; V61-L65 WeakPolarHBondContact O-CB 3.46Å; V61-L65 PolarHBondContact O-N 3.2Å; V61-F398 HydrophobicContact CG1-CE1 3.8Å; V61-F398 HydrophobicContact CG1-CZ 3.9Å
62	W	98.9	Very high	98.7	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.015	16%	0.164	C	C	.	.	H	α-helix	trans	-60.5	-46.1	179.1	179.4	-113.7	0	0	0	112.4	T58 Q59 F60 R64 L65 L66 F398 L401 S402 Y405 I407	T58-W62 VanDerWaalsContact O-CB 3.27Å; T58-W62 WeakPolarHBondContact O-CB 3.48Å; T58-W62 PolarHBondContact O-N 2.66Å; Q59-W62 PolarHBondContact O-N 3.23Å; F60-W62 PolarHBondContact O-N 3.26Å; W62-R64 VanDerWaalsContact C-N 3.35Å; W62-R64 PolarHBondContact O-N 3.02Å; W62-L65 HydrophobicContact CE3-CD2 3.97Å; W62-L65 HydrophobicContact CZ3-CD2 3.92Å; W62-L65 WeakPolarHBondContact O-CB 3.24Å; W62-L65 PolarHBondContact O-N 3.41Å; W62-L66 HydrophobicContact CD2-CD1 4.38Å; W62-L66 HydrophobicContact CD2-CG 4.27Å; W62-L66 HydrophobicContact CH2-CD2 3.94Å; W62-L66 HydrophobicContact CZ2-CD1 3.87Å; W62-L66 HydrophobicContact CZ2-CD2 3.8Å; W62-L66 HydrophobicContact CZ2-CG 4.06Å; W62-L66 HydrophobicContact CZ3-CD2 4.44Å; W62-L66 WeakPolarHBondContact O-CG 3.29Å; W62-L66 PolarHBondContact O-N 3.41Å; W62-F398 HydrophobicContact CE3-CD1 4.11Å; W62-F398 HydrophobicContact CZ3-CB 4.26Å; W62-F398 HydrophobicContact CZ3-CD1 4.39Å; W62-L401 HydrophobicContact CB-CD1 4.11Å; W62-L401 HydrophobicContact CD2-CB 3.9Å; W62-L401 HydrophobicContact CD2-CD1 3.96Å; W62-L401 HydrophobicContact CD2-CG 4.48Å; W62-L401 HydrophobicContact CE3-CB 3.79Å; W62-L401 HydrophobicContact CE3-CD1 3.75Å; W62-L401 HydrophobicContact CE3-CG 4.43Å; W62-L401 HydrophobicContact CG-CD1 4.13Å; W62-L401 HydrophobicContact CH2-CB 4.05Å; W62-L401 HydrophobicContact CZ2-CB 4.13Å; W62-L401 HydrophobicContact CZ3-CB 3.87Å; W62-S402 WeakPolarHBondContact CH2-OG 3.16Å; W62-Y405 AromaticContact CD1-CD2 3.9Å; W62-Y405 AromaticContact CD1-CE2 3.77Å; W62-Y405 AromaticContact CE2-CD2 3.78Å; W62-Y405 HydrophobicContact CZ2-CD2 4.18Å; W62-Y405 AromaticContact NE1-CD2 3.23Å; W62-Y405 AromaticContact NE1-CE2 3.6Å; W62-I407 HydrophobicContact CZ2-CB 4.46Å
63	N	98.8	Very high	98.7	Very high	71 Å²	71	33.1 Å²	33.1	38%	0.38	19%	0.185	S	C	.	.	H	α-helix	trans	-60.6	-44.5	178.5	-71.6	-13.2	0	0	0	111.7	Q59 F60 V61 L66 Q67	Q59-N63 PolarHBondContact NE2-OD1 3.21Å; Q59-N63 WeakPolarHBondContact O-CB 3.46Å; Q59-N63 PolarHBondContact O-N 3.06Å; Q59-N63 PolarHBondContact O-ND2 3.25Å; F60-N63 PolarHBondContact O-N 3.35Å; V61-N63 PolarHBondContact O-N 2.88Å; N63-L66 PolarHBondContact O-N 3.21Å; N63-Q67 VanDerWaalsContact O-CG 3.28Å; N63-Q67 WeakPolarHBondContact O-CG 3.45Å; N63-Q67 PolarHBondContact O-N 2.81Å
64	R	98.8	Very high	98.6	Very high	72 Å²	72	35.2 Å²	35.2	27%	0.272	20%	0.199	S	C	.	.	H	α-helix	trans	-65.4	-40.1	178	-68.9	-172.6	72.1	-179.8	10.4	112.3	L54 F60 V61 W62 L66 Q67 G68 D69	L54-R64 VanDerWaalsContact O-CD 3.29Å; L54-R64 WeakPolarHBondContact O-CD 2.94Å; L54-R64 PolarHBondContact O-NH1 3.41Å; F60-R64 HydrophobicContact CE1-CG 4.44Å; F60-R64 WeakPolarHBondContact O-CG 3.25Å; F60-R64 PolarHBondContact O-N 2.65Å; V61-R64 PolarHBondContact O-N 2.9Å; W62-R64 VanDerWaalsContact C-N 3.35Å; W62-R64 PolarHBondContact O-N 3.02Å; R64-L66 VanDerWaalsContact C-N 3.34Å; R64-L66 PolarHBondContact O-N 3.38Å; R64-Q67 PolarHBondContact O-N 2.89Å; R64-G68 PolarHBondContact O-N 2.95Å; R64-D69 HydrophobicContact CB-CB 4.08Å; R64-D69 IonicContact CZ-OD2 3.93Å; R64-D69 VanDerWaalsContact CZ-OD2 3.32Å; R64-D69 IonicContact NE-OD2 2.65Å; R64-D69 PolarHBondContact NE-OD2 3.36Å; R64-D69 IonicContact NH2-OD2 2.84Å; R64-D69 PolarHBondContact NH2-OD2 2.94Å; R64-D69 WeakPolarHBondContact O-CB 3.28Å; R64-D69 PolarHBondContact O-N 3.29Å
65	L	98.9	Very high	98.4	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-58.4	-46.3	174	177.7	65.6	0	0	0	111.4	L54 V61 W62 Q67 G68 T380 A383 F398 P409	L54-L65 HydrophobicContact CD1-CB 3.9Å; L54-L65 HydrophobicContact CD1-CD1 4.23Å; V61-L65 WeakPolarHBondContact O-CB 3.46Å; V61-L65 PolarHBondContact O-N 3.2Å; W62-L65 HydrophobicContact CE3-CD2 3.97Å; W62-L65 HydrophobicContact CZ3-CD2 3.92Å; W62-L65 WeakPolarHBondContact O-CB 3.24Å; W62-L65 PolarHBondContact O-N 3.41Å; L65-Q67 VanDerWaalsContact C-N 3.33Å; L65-Q67 PolarHBondContact O-N 3.04Å; L65-G68 PolarHBondContact O-N 2.95Å; L65-G68 VanDerWaalsContact O-N 3.12Å; L65-T380 HydrophobicContact CD1-CG2 4.02Å; L65-T380 HydrophobicContact CD2-CG2 4.01Å; L65-A383 HydrophobicContact CD1-CB 3.58Å; L65-F398 HydrophobicContact CD2-CB 4.3Å; L65-F398 HydrophobicContact CD2-CD1 3.68Å; L65-F398 HydrophobicContact CD2-CD2 3.7Å; L65-F398 HydrophobicContact CD2-CE1 3.8Å; L65-F398 HydrophobicContact CD2-CE2 3.79Å; L65-F398 HydrophobicContact CD2-CG 3.63Å; L65-F398 HydrophobicContact CD2-CZ 3.85Å; L65-P409 HydrophobicContact CD1-CB 4.21Å; L65-P409 HydrophobicContact CD2-CB 3.62Å; L65-P409 HydrophobicContact CD2-CG 4.23Å; L65-P409 HydrophobicContact CG-CB 3.72Å
66	L	98.8	Very high	97.7	Very high	34 Å²	34	43.7 Å²	43.7	18%	0.178	24%	0.244	C	C	.	.	H	α-helix	trans	-67.9	-31.8	179.2	-67.1	-172.9	0	0	0	113.2	W62 N63 R64 G68 I407 P409 A430	W62-L66 HydrophobicContact CD2-CD1 4.38Å; W62-L66 HydrophobicContact CD2-CG 4.27Å; W62-L66 HydrophobicContact CH2-CD2 3.94Å; W62-L66 HydrophobicContact CZ2-CD1 3.87Å; W62-L66 HydrophobicContact CZ2-CD2 3.8Å; W62-L66 HydrophobicContact CZ2-CG 4.06Å; W62-L66 HydrophobicContact CZ3-CD2 4.44Å; W62-L66 WeakPolarHBondContact O-CG 3.29Å; W62-L66 PolarHBondContact O-N 3.41Å; N63-L66 PolarHBondContact O-N 3.21Å; R64-L66 VanDerWaalsContact C-N 3.34Å; R64-L66 PolarHBondContact O-N 3.38Å; L66-G68 PolarHBondContact O-N 2.83Å; L66-I407 HydrophobicContact CD1-CB 4.4Å; L66-I407 HydrophobicContact CD1-CD1 4.14Å; L66-I407 HydrophobicContact CD1-CG2 3.97Å; L66-I407 HydrophobicContact CD2-CB 4.48Å; L66-I407 HydrophobicContact CD2-CG2 3.67Å; L66-I407 HydrophobicContact CG-CG2 4.45Å; L66-P409 HydrophobicContact CD2-CB 4.36Å; L66-A430 HydrophobicContact CB-CB 4.4Å; L66-A430 HydrophobicContact CD2-CB 3.97Å
67	Q	98.7	Very high	97.2	Very high	145 Å²	145	44 Å²	44	68%	0.678	25%	0.252	S	S	*	.	H	α-helix	trans	-72	-10.6	173.6	-72.2	170.5	-3.5	0	0	113.2	N63 R64 L65	N63-Q67 VanDerWaalsContact O-CG 3.28Å; N63-Q67 WeakPolarHBondContact O-CG 3.45Å; N63-Q67 PolarHBondContact O-N 2.81Å; R64-Q67 PolarHBondContact O-N 2.89Å; L65-Q67 VanDerWaalsContact C-N 3.33Å; L65-Q67 PolarHBondContact O-N 3.04Å
68	G	98.3	Very high	96.9	Very high	24 Å²	24	52 Å²	52	25%	0.247	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	26.1	-179.8	0	0	0	0	0	114	R64 L65 L66 L412	R64-G68 PolarHBondContact O-N 2.95Å; L65-G68 PolarHBondContact O-N 2.95Å; L65-G68 VanDerWaalsContact O-N 3.12Å; L66-G68 PolarHBondContact O-N 2.83Å; G68-L412 WeakPolarHBondContact O-CD1 3.32Å
69	D	98.6	Very high	96.6	Very high	54 Å²	54	56.7 Å²	56.7	29%	0.289	31%	0.306	S	S	.	.			trans	-65.1	152.7	171.5	-83.7	-0.7	0	0	0	111.4	L54 R64 A383 L412	L54-D69 HydrophobicContact CD2-CB 4.03Å; L54-D69 WeakPolarHBondContact CD2-O 3.26Å; R64-D69 HydrophobicContact CB-CB 4.08Å; R64-D69 IonicContact CZ-OD2 3.93Å; R64-D69 VanDerWaalsContact CZ-OD2 3.32Å; R64-D69 IonicContact NE-OD2 2.65Å; R64-D69 PolarHBondContact NE-OD2 3.36Å; R64-D69 IonicContact NH2-OD2 2.84Å; R64-D69 PolarHBondContact NH2-OD2 2.94Å; R64-D69 WeakPolarHBondContact O-CB 3.28Å; R64-D69 PolarHBondContact O-N 3.29Å; D69-A383 VanDerWaalsContact O-CB 3.26Å; D69-A383 WeakPolarHBondContact O-CB 3.43Å; D69-L412 WeakPolarHBondContact O-CD1 3.49Å
70	S	98.6	Very high	96.4	Very high	19 Å²	19	53.9 Å²	53.9	13%	0.133	29%	0.292	C	S	.	.			trans	-128.5	131.3	172.4	-177.3	0	0	0	0	110.6	I72 G382 A383	S70-I72 VanDerWaalsContact C-N 3.28Å; S70-I72 PolarHBondContact OG-N 2.82Å; S70-G382 PolarHBondContact OG-O 3.49Å; S70-A383 WeakPolarHBondContact CA-O 3.16Å
71	G	98.4	Very high	96.1	Very high	16 Å²	16	54.5 Å²	54.5	17%	0.165	31%	0.308	C	S	.	.			trans	-84.9	4.6	173.3	0	0	0	0	0	113.8	P53 A89 A383	P53-G71 WeakPolarHBondContact O-CA 3.42Å; G71-A89 WeakPolarHBondContact O-CA 3.3Å; G71-A383 PolarHBondContact N-O 2.84Å
72	I	98.8	Very high	95.9	Very high	3 Å²	3	59.9 Å²	59.9	2%	0.015	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	126.3	178.3	-59.9	167.6	0	0	0	110.2	S70 V87 A88 A89 P261 C265 V276 G382	S70-I72 VanDerWaalsContact C-N 3.28Å; S70-I72 PolarHBondContact OG-N 2.82Å; I72-V87 HydrophobicContact CG2-CB 4.31Å; I72-A88 WeakPolarHBondContact CA-O 3.4Å; I72-A89 HydrophobicContact CG1-CB 4Å; I72-P261 HydrophobicContact CG2-CB 4.12Å; I72-P261 WeakPolarHBondContact CG2-O 3.41Å; I72-C265 HydrophobicContact CD1-CB 3.43Å; I72-C265 VanDerWaalsContact CD1-CB 3.43Å; I72-V276 HydrophobicContact CD1-CB 4.14Å; I72-V276 HydrophobicContact CD1-CG1 4.18Å; I72-V276 HydrophobicContact CD1-CG2 4.26Å; I72-V276 HydrophobicContact CG1-CG1 4.04Å; I72-V276 HydrophobicContact CG2-CG1 3.79Å; I72-G382 WeakPolarHBondContact CD1-O 3.49Å
73	A	98.1	Very high	95.8	Very high	53 Å²	53	60 Å²	60	44%	0.438	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	169.7	179.9	0	0	0	0	0	111.8	V87 A88	A73-V87 VanDerWaalsContact O-CA 3.29Å; A73-V87 WeakPolarHBondContact O-CA 3.45Å; A73-A88 PolarHBondContact N-O 3.42Å; A73-A88 PolarHBondContact O-N 3.43Å
74	S	97.6	Very high	95.7	Very high	49 Å²	49	60.1 Å²	60.1	34%	0.343	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	151.6	172.8	-60.9	0	0	0	0	111.4	K86	S74-K86 CarbonylContact C-O 3.41Å; S74-K86 WeakPolarHBondContact CA-O 3.21Å
75	L	94.9	Very high	95.7	Very high	24 Å²	24	56.7 Å²	56.7	13%	0.126	34%	0.339	C	S	.	.			trans	-99.5	110.1	168.3	-65.7	171.4	0	0	0	108.6	Y80 K86 A88 I239 L244	L75-Y80 HydrophobicContact CB-CD2 4.03Å; L75-Y80 HydrophobicContact CB-CE2 4.42Å; L75-Y80 HydrophobicContact CB-CG 4.2Å; L75-Y80 HydrophobicContact CD1-CD1 4.08Å; L75-Y80 HydrophobicContact CD1-CE1 4.15Å; L75-Y80 HydrophobicContact CD1-CG 4.33Å; L75-Y80 HydrophobicContact CD2-CE2 4.42Å; L75-K86 PolarHBondContact N-O 3.07Å; L75-A88 HydrophobicContact CD1-CB 4.06Å; L75-A88 HydrophobicContact CD2-CB 3.94Å; L75-A88 HydrophobicContact CG-CB 4.11Å; L75-I239 HydrophobicContact CD2-CG2 4.42Å; L75-L244 HydrophobicContact CD1-CD1 3.26Å
76	D	83.5	Confident	95.6	Very high	155 Å²	155	59.1 Å²	59.1	83%	0.829	35%	0.349	S	S	*	.			trans	-98.6	7.3	-170.9	-61.4	-34.9	0	0	0	114.1
77	G	87.3	Confident	95.6	Very high	25 Å²	25	57.5 Å²	57.5	26%	0.258	34%	0.341	S	S	.	.			trans	-81.8	141.5	-178.8	0	0	0	0	0	114.6	E79 Y80	G77-E79 VanDerWaalsContact C-OE2 3.22Å; G77-E79 VanDerWaalsContact CA-OE2 3.25Å; G77-E79 WeakPolarHBondContact CA-OE2 3.38Å; G77-E79 PolarHBondContact O-N 2.67Å; G77-Y80 PolarHBondContact O-N 2.79Å
78	E	92.3	Very high	95.6	Very high	182 Å²	182	50.7 Å²	50.7	85%	0.85	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-60.6	-29.7	176.3	-70.1	-168.9	170.2	0	0	112.4	Y80 A81	E78-Y80 PolarHBondContact O-N 2.95Å; E78-Y80 VanDerWaalsContact O-N 3.15Å; E78-A81 WeakPolarHBondContact O-CB 3.21Å; E78-A81 PolarHBondContact O-N 3.31Å
79	E	92.9	Very high	95.6	Very high	113 Å²	113	49.6 Å²	49.6	53%	0.528	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-60.3	-22.4	176	66.4	-84.8	-161.8	0	0	112.9	G77 P241	G77-E79 VanDerWaalsContact C-OE2 3.22Å; G77-E79 VanDerWaalsContact CA-OE2 3.25Å; G77-E79 WeakPolarHBondContact CA-OE2 3.38Å; G77-E79 PolarHBondContact O-N 2.67Å; E79-P241 HydrophobicContact CB-CG 3.85Å; E79-P241 HydrophobicContact CG-CG 3.53Å
80	Y	94.7	Very high	95.6	Very high	24 Å²	24	49.6 Å²	49.6	9%	0.094	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-90.9	-6.4	175.8	-60.2	-73.5	0	0	0	113	L75 G77 E78 S82 V83 K86 P241 L244	L75-Y80 HydrophobicContact CB-CD2 4.03Å; L75-Y80 HydrophobicContact CB-CE2 4.42Å; L75-Y80 HydrophobicContact CB-CG 4.2Å; L75-Y80 HydrophobicContact CD1-CD1 4.08Å; L75-Y80 HydrophobicContact CD1-CE1 4.15Å; L75-Y80 HydrophobicContact CD1-CG 4.33Å; L75-Y80 HydrophobicContact CD2-CE2 4.42Å; G77-Y80 PolarHBondContact O-N 2.79Å; E78-Y80 PolarHBondContact O-N 2.95Å; E78-Y80 VanDerWaalsContact O-N 3.15Å; Y80-S82 VanDerWaalsContact C-N 3.25Å; Y80-S82 PolarHBondContact O-N 2.96Å; Y80-V83 WeakPolarHBondContact O-CB 3.29Å; Y80-V83 PolarHBondContact O-N 3.24Å; Y80-K86 PolarHBondContact O-NZ 2.92Å; Y80-P241 HydrophobicContact CD1-CB 4.42Å; Y80-P241 HydrophobicContact CD1-CG 4.23Å; Y80-P241 HydrophobicContact CE1-CB 4.23Å; Y80-P241 HydrophobicContact CE1-CG 3.75Å; Y80-L244 HydrophobicContact CD1-CD1 3.78Å; Y80-L244 HydrophobicContact CE1-CD1 3.56Å
81	A	93.4	Very high	95.6	Very high	76 Å²	76	49 Å²	49	63%	0.628	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-35.5	-167.9	0	0	0	0	0	114.6	E78 K86	E78-A81 WeakPolarHBondContact O-CB 3.21Å; E78-A81 PolarHBondContact O-N 3.31Å; A81-K86 PolarHBondContact O-NZ 2.71Å
82	S	94.2	Very high	95.6	Very high	113 Å²	113	50.1 Å²	50.1	79%	0.79	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-11.3	179.3	63.1	0	0	0	0	114.8	Y80	Y80-S82 VanDerWaalsContact C-N 3.25Å; Y80-S82 PolarHBondContact O-N 2.96Å
83	V	96.6	Very high	95.5	Very high	7 Å²	7	55.4 Å²	55.4	4%	0.042	32%	0.321	C	S	.	.			trans	-81.4	130.5	-177.5	-176.2	0	0	0	0	110.4	Y80 C85 K86 L244 A245 A248	Y80-V83 WeakPolarHBondContact O-CB 3.29Å; Y80-V83 PolarHBondContact O-N 3.24Å; V83-C85 PolarHBondContact O-N 2.95Å; V83-K86 WeakPolarHBondContact O-CE 3.46Å; V83-K86 PolarHBondContact O-NZ 2.85Å; V83-L244 HydrophobicContact CG1-CB 3.94Å; V83-A245 HydrophobicContact CG2-CB 4.38Å; V83-A248 HydrophobicContact CG1-CB 4.41Å
84	P	97.3	Very high	95.5	Very high	74 Å²	74	54.1 Å²	54.1	48%	0.481	31%	0.313	S	S	.	.	S	Bend	trans	-61.9	-36.6	-178.8	-27.8	35.9	0	0	0	115.1	A248 T255 N258	P84-A248 HydrophobicContact CG-CB 4.31Å; P84-T255 HydrophobicContact CB-CG2 3.75Å; P84-N258 PolarHBondContact O-ND2 2.95Å
85	C	97.6	Very high	95.3	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.333	C	S	.	.			trans	-83.6	130.9	175.1	178.5	0	0	0	0	110.1	V83 V87 L253 S254 T255	V83-C85 PolarHBondContact O-N 2.95Å; C85-V87 PolarHBondContact SG-O 2.92Å; C85-L253 HydrophobicContact CB-CB 3.89Å; C85-L253 HydrophobicContact CB-CD1 3.74Å; C85-L253 HydrophobicContact CB-CG 4.48Å; C85-S254 WeakPolarHBondContact CB-O 3.29Å; C85-S254 PolarHBondContact SG-O 3.44Å; C85-S254 VanDerWaalsContact SG-O 3.38Å; C85-T255 HydrophobicContact CB-CG2 4.47Å
86	K	97.6	Very high	95.4	Very high	52 Å²	52	64.2 Å²	64.2	23%	0.226	36%	0.359	C	S	.	.			trans	-120.8	19.3	-180	-53.8	-61.3	-167.2	-162.2	0	113.1	S74 L75 Y80 A81 V83 N258	S74-K86 CarbonylContact C-O 3.41Å; S74-K86 WeakPolarHBondContact CA-O 3.21Å; L75-K86 PolarHBondContact N-O 3.07Å; Y80-K86 PolarHBondContact O-NZ 2.92Å; A81-K86 PolarHBondContact O-NZ 2.71Å; V83-K86 WeakPolarHBondContact O-CE 3.46Å; V83-K86 PolarHBondContact O-NZ 2.85Å; K86-N258 HydrophobicContact CB-CB 3.93Å; K86-N258 WeakPolarHBondContact CB-OD1 3.23Å; K86-N258 HydrophobicContact CG-CB 4.08Å; K86-N258 WeakPolarHBondContact CG-ND2 3.45Å; K86-N258 PolarHBondContact N-OD1 3.48Å
87	V	98.4	Very high	95.9	Very high	0 Å²	0	65 Å²	65	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	142.9	-173.9	-57.7	0	0	0	0	110.4	I72 A73 C85 P261 A264 V276	I72-V87 HydrophobicContact CG2-CB 4.31Å; A73-V87 VanDerWaalsContact O-CA 3.29Å; A73-V87 WeakPolarHBondContact O-CA 3.45Å; C85-V87 PolarHBondContact SG-O 2.92Å; V87-P261 HydrophobicContact CB-CB 4.31Å; V87-P261 HydrophobicContact CG1-CB 3.74Å; V87-A264 HydrophobicContact CG2-CB 3.91Å; V87-V276 HydrophobicContact CG2-CG1 4.15Å; V87-V276 HydrophobicContact CG2-CG2 4.02Å
88	A	98.6	Very high	96.3	Very high	2 Å²	2	64.2 Å²	64.2	2%	0.017	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	169.1	175.3	0	0	0	0	0	110.4	I72 A73 L75 I239 M277	I72-A88 WeakPolarHBondContact CA-O 3.4Å; A73-A88 PolarHBondContact N-O 3.42Å; A73-A88 PolarHBondContact O-N 3.43Å; L75-A88 HydrophobicContact CD1-CB 4.06Å; L75-A88 HydrophobicContact CD2-CB 3.94Å; L75-A88 HydrophobicContact CG-CB 4.11Å; A88-I239 HydrophobicContact CB-CD1 3.99Å; A88-I239 HydrophobicContact CB-CG1 4.47Å; A88-I239 HydrophobicContact CB-CG2 4.04Å; A88-M277 CarbonylContact C-O 3.55Å; A88-M277 VanDerWaalsContact CA-O 3.31Å; A88-M277 WeakPolarHBondContact CA-O 3.48Å
89	A	98.6	Very high	96.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	94	173.8	0	0	0	0	0	109.5	P53 G71 I72 M277 G278 E279 T384	P53-A89 HydrophobicContact CB-CB 3.68Å; P53-A89 HydrophobicContact CG-CB 3.67Å; P53-A89 WeakPolarHBondContact CG-O 3.34Å; G71-A89 WeakPolarHBondContact O-CA 3.3Å; I72-A89 HydrophobicContact CG1-CB 4Å; A89-M277 PolarHBondContact N-O 2.89Å; A89-G278 WeakPolarHBondContact O-CA 3.4Å; A89-E279 PolarHBondContact O-N 3.24Å; A89-E279 VanDerWaalsContact O-N 3.11Å; A89-T384 WeakPolarHBondContact CB-O 3.37Å
90	C	98.3	Very high	96.9	Very high	55 Å²	55	53.1 Å²	53.1	37%	0.372	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-89.4	147.4	-178.5	-56.2	0	0	0	0	111	P53 I239	P53-C90 WeakPolarHBondContact CA-O 3.27Å; P53-C90 WeakPolarHBondContact CB-O 3.41Å; C90-I239 HydrophobicContact CB-CD1 4.49Å
91	V	98.7	Very high	97	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.03	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-65.8	128.5	170.6	170.5	0	0	0	0	108.2	V51 V56 R93 F100 M120 E279	V51-V91 HydrophobicContact CG1-CG1 3.79Å; V51-V91 HydrophobicContact CG1-CG2 4.01Å; V56-V91 HydrophobicContact CG2-CG1 4.48Å; V91-R93 PolarHBondContact O-N 2.84Å; V91-F100 HydrophobicContact CG1-CB 3.52Å; V91-F100 HydrophobicContact CG1-CD1 4.49Å; V91-F100 HydrophobicContact CG1-CG 4.12Å; V91-M120 HydrophobicContact CB-CE 4.19Å; V91-M120 HydrophobicContact CG2-CE 4.08Å; V91-M120 HydrophobicContact CG2-SD 4.18Å; V91-E279 HydrophobicContact CG2-CG 4.06Å; V91-E279 WeakPolarHBondContact CG2-O 3.29Å; V91-E279 PolarHBondContact N-OE1 2.88Å
92	P	98.3	Very high	97.2	Very high	41 Å²	41	51.3 Å²	51.3	27%	0.266	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-66.9	127.7	176.8	28.3	-33.6	0	0	0	109.5	S52 Q99 F100	S52-P92 VanDerWaalsContact O-CD 3.32Å; S52-P92 WeakPolarHBondContact O-CD 3.39Å; P92-Q99 HydrophobicContact CB-CG 4.43Å; P92-Q99 CarbonylContact O-C 3.59Å; P92-Q99 WeakPolarHBondContact O-CA 3.47Å; P92-F100 PolarHBondContact O-N 3.48Å
93	R	97.5	Very high	97.3	Very high	114 Å²	114	51.5 Å²	51.5	43%	0.43	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-109	142.9	-176.4	-64.3	176.6	-177.1	-99.4	4	111	V91 F100 E102 S116 M120 E279	V91-R93 PolarHBondContact O-N 2.84Å; R93-F100 WeakPolarHBondContact CA-O 3.41Å; R93-E102 IonicContact CZ-OE1 2.69Å; R93-E102 IonicContact NH1-OE1 3.6Å; R93-E102 PolarHBondContact NH1-OE1 2.88Å; R93-S116 PolarHBondContact NH2-OG 2.86Å; R93-M120 VanDerWaalsContact NH2-CE 3.25Å; R93-E279 IonicContact NH2-OE1 2.84Å
94	G	96.8	Very high	97.2	Very high	25 Å²	25	54.9 Å²	54.9	26%	0.258	29%	0.291	S	S	.	.	S	Bend	trans	147.7	-172.6	-178.2	0	0	0	0	0	111.7	Q99 F100 S101	G94-Q99 VanDerWaalsContact C-OE1 3.32Å; G94-Q99 VanDerWaalsContact CA-OE1 3.22Å; G94-F100 PolarHBondContact N-O 3.28Å; G94-F100 VanDerWaalsContact N-O 3.11Å; G94-F100 CarbonylContact O-C 3.48Å; G94-S101 WeakPolarHBondContact O-CB 3.47Å; G94-S101 PolarHBondContact O-N 2.86Å
95	N	94.3	Very high	97.2	Very high	145 Å²	145	52.8 Å²	52.8	78%	0.775	27%	0.274	S	S	*	.	S	Bend	trans	-108.7	4.9	-173.4	-62.7	-44.3	0	0	0	113.3	S101	N95-S101 WeakPolarHBondContact OD1-CB 3.35Å; N95-S101 PolarHBondContact OD1-OG 3.29Å
96	E	96.1	Very high	97.1	Very high	140 Å²	140	53.1 Å²	53.1	65%	0.654	28%	0.277	S	S	*	.	S	Bend	trans	-84.6	166.4	177.6	-55.1	178.1	156.5	0	0	111.4	G98 Q99	E96-G98 PolarHBondContact O-N 2.78Å; E96-Q99 HydrophobicContact CB-CG 4.35Å; E96-Q99 VanDerWaalsContact N-OE1 3.12Å; E96-Q99 WeakPolarHBondContact O-CB 3.33Å; E96-Q99 PolarHBondContact O-N 3.35Å; E96-Q99 PolarHBondContact OE2-NE2 3.2Å
97	E	94.6	Very high	97.1	Very high	171 Å²	171	53.3 Å²	53.3	80%	0.799	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	133.3	176.3	-173.2	178.5	-177	0	0	111.1	Q99	E97-Q99 PolarHBondContact O-N 3.12Å
98	G	95.7	Very high	96.9	Very high	10 Å²	10	59.4 Å²	59.4	10%	0.103	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	-1.7	-178.5	0	0	0	0	0	115	G55 V56 E96	G55-G98 CarbonylContact C-O 3.47Å; G55-G98 WeakPolarHBondContact CA-O 3.45Å; V56-G98 PolarHBondContact N-O 2.9Å; E96-G98 PolarHBondContact O-N 2.78Å
99	Q	98.4	Very high	96.6	Very high	58 Å²	58	63.8 Å²	63.8	27%	0.271	34%	0.341	S	S	.	.			trans	-96.7	154.1	173.3	-63.7	173.2	-7.2	0	0	111.8	P92 G94 E96 E97	P92-Q99 HydrophobicContact CB-CG 4.43Å; P92-Q99 CarbonylContact O-C 3.59Å; P92-Q99 WeakPolarHBondContact O-CA 3.47Å; G94-Q99 VanDerWaalsContact C-OE1 3.32Å; G94-Q99 VanDerWaalsContact CA-OE1 3.22Å; E96-Q99 HydrophobicContact CB-CG 4.35Å; E96-Q99 VanDerWaalsContact N-OE1 3.12Å; E96-Q99 WeakPolarHBondContact O-CB 3.33Å; E96-Q99 PolarHBondContact O-N 3.35Å; E96-Q99 PolarHBondContact OE2-NE2 3.2Å; E97-Q99 PolarHBondContact O-N 3.12Å
100	F	98.5	Very high	96.4	Very high	3 Å²	3	67.9 Å²	67.9	1%	0.013	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-92.7	117.3	179.1	-168.3	-117.2	0	0	0	111.3	V51 V56 V91 P92 R93 G94 E102 F105 V119 M120	V51-F100 HydrophobicContact CG1-CD2 3.72Å; V51-F100 HydrophobicContact CG1-CE2 3.98Å; V51-F100 HydrophobicContact CG1-CG 4.07Å; V51-F100 HydrophobicContact CG2-CD2 4.03Å; V51-F100 HydrophobicContact CG2-CE2 3.89Å; V56-F100 HydrophobicContact CG2-CB 3.61Å; V56-F100 HydrophobicContact CG2-CD2 3.94Å; V56-F100 HydrophobicContact CG2-CG 4.24Å; V91-F100 HydrophobicContact CG1-CB 3.52Å; V91-F100 HydrophobicContact CG1-CD1 4.49Å; V91-F100 HydrophobicContact CG1-CG 4.12Å; P92-F100 PolarHBondContact O-N 3.48Å; R93-F100 WeakPolarHBondContact CA-O 3.41Å; G94-F100 PolarHBondContact N-O 3.28Å; G94-F100 VanDerWaalsContact N-O 3.11Å; G94-F100 CarbonylContact O-C 3.48Å; F100-E102 HydrophobicContact CD1-CG 4.14Å; F100-E102 HydrophobicContact CE1-CG 3.64Å; F100-E102 HydrophobicContact CZ-CG 4.43Å; F100-F105 HydrophobicContact CD2-CD2 4.29Å; F100-F105 AromaticContact CD2-CE2 3.73Å; F100-F105 HydrophobicContact CD2-CE2 3.73Å; F100-F105 AromaticContact CE2-CD2 3.58Å; F100-F105 HydrophobicContact CE2-CD2 3.58Å; F100-F105 AromaticContact CE2-CE2 3.41Å; F100-F105 HydrophobicContact CE2-CE2 3.41Å; F100-F105 VanDerWaalsContact CE2-CE2 3.41Å; F100-F105 HydrophobicContact CE2-CZ 4.44Å; F100-F105 HydrophobicContact CZ-CD2 4.14Å; F100-F105 HydrophobicContact CZ-CE2 4.38Å; F100-V119 HydrophobicContact CE1-CG1 4.22Å; F100-V119 HydrophobicContact CZ-CG1 4.03Å; F100-M120 HydrophobicContact CE1-CG 3.85Å; F100-M120 HydrophobicContact CZ-CB 4.43Å; F100-M120 HydrophobicContact CZ-CG 4.05Å
101	S	97.4	Very high	96.3	Very high	16 Å²	16	67 Å²	67	11%	0.112	35%	0.352	C	S	.	.			trans	-114.5	109.5	171.1	-178.3	0	0	0	0	109.1	G94 N95 E103 S104 F105	G94-S101 WeakPolarHBondContact O-CB 3.47Å; G94-S101 PolarHBondContact O-N 2.86Å; N95-S101 WeakPolarHBondContact OD1-CB 3.35Å; N95-S101 PolarHBondContact OD1-OG 3.29Å; S101-E103 PolarHBondContact O-N 3.46Å; S101-S104 WeakPolarHBondContact CB-OG 3.33Å; S101-S104 VanDerWaalsContact O-CB 3.28Å; S101-S104 WeakPolarHBondContact O-CB 3.46Å; S101-S104 PolarHBondContact O-N 3.01Å; S101-F105 WeakPolarHBondContact O-CD2 3.47Å
102	E	97	Very high	96	Very high	46 Å²	46	74.4 Å²	74.4	22%	0.215	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-57.2	-39	-178.1	-65	-179.6	164.2	0	0	111.7	R93 F100 S104 F105 V106 I111 V119	R93-E102 IonicContact CZ-OE1 2.69Å; R93-E102 IonicContact NH1-OE1 3.6Å; R93-E102 PolarHBondContact NH1-OE1 2.88Å; F100-E102 HydrophobicContact CD1-CG 4.14Å; F100-E102 HydrophobicContact CE1-CG 3.64Å; F100-E102 HydrophobicContact CZ-CG 4.43Å; E102-S104 PolarHBondContact O-N 2.93Å; E102-S104 VanDerWaalsContact O-N 3.14Å; E102-F105 PolarHBondContact O-N 3.29Å; E102-V106 VanDerWaalsContact O-CG2 3.26Å; E102-V106 WeakPolarHBondContact O-CG2 3.43Å; E102-V106 PolarHBondContact O-N 3.43Å; E102-I111 HydrophobicContact CB-CD1 3.66Å; E102-I111 HydrophobicContact CB-CG1 4.31Å; E102-V119 HydrophobicContact CB-CG1 3.91Å; E102-V119 HydrophobicContact CG-CG1 3.76Å
103	E	96.3	Very high	95.9	Very high	118 Å²	118	73.4 Å²	73.4	55%	0.551	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-64.4	-17.1	179.5	-63	-176.8	-153.5	0	0	113.5	S101 F105 V106 K108 I111	S101-E103 PolarHBondContact O-N 3.46Å; E103-F105 PolarHBondContact O-N 3.04Å; E103-V106 WeakPolarHBondContact CA-O 3.43Å; E103-K108 HydrophobicContact CG-CG 4.29Å; E103-K108 WeakPolarHBondContact OE1-CE 3.42Å; E103-K108 IonicContact OE1-NZ 3.42Å; E103-K108 PolarHBondContact OE1-NZ 3.32Å; E103-K108 WeakPolarHBondContact OE2-CE 3.48Å; E103-K108 IonicContact OE2-NZ 3.36Å; E103-K108 PolarHBondContact OE2-NZ 3.02Å; E103-I111 HydrophobicContact CG-CD1 4.29Å
104	S	95.7	Very high	95.9	Very high	77 Å²	77	68.5 Å²	68.5	54%	0.538	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-73.8	-18.9	173.7	-59.3	0	0	0	0	112.5	S101 E102	S101-S104 WeakPolarHBondContact CB-OG 3.33Å; S101-S104 VanDerWaalsContact O-CB 3.28Å; S101-S104 WeakPolarHBondContact O-CB 3.46Å; S101-S104 PolarHBondContact O-N 3.01Å; E102-S104 PolarHBondContact O-N 2.93Å; E102-S104 VanDerWaalsContact O-N 3.14Å
105	F	96.6	Very high	95.9	Very high	30 Å²	30	67.3 Å²	67.3	13%	0.132	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-28.6	-174	-55.2	-70.1	0	0	0	113.4	F100 S101 E102 E103 I122 E126 L127 K194	F100-F105 HydrophobicContact CD2-CD2 4.29Å; F100-F105 AromaticContact CD2-CE2 3.73Å; F100-F105 HydrophobicContact CD2-CE2 3.73Å; F100-F105 AromaticContact CE2-CD2 3.58Å; F100-F105 HydrophobicContact CE2-CD2 3.58Å; F100-F105 AromaticContact CE2-CE2 3.41Å; F100-F105 HydrophobicContact CE2-CE2 3.41Å; F100-F105 VanDerWaalsContact CE2-CE2 3.41Å; F100-F105 HydrophobicContact CE2-CZ 4.44Å; F100-F105 HydrophobicContact CZ-CD2 4.14Å; F100-F105 HydrophobicContact CZ-CE2 4.38Å; S101-F105 WeakPolarHBondContact O-CD2 3.47Å; E102-F105 PolarHBondContact O-N 3.29Å; E103-F105 PolarHBondContact O-N 3.04Å; F105-I122 HydrophobicContact CB-CG2 4.45Å; F105-E126 HydrophobicContact CD1-CB 4.13Å; F105-E126 HydrophobicContact CE1-CB 4.41Å; F105-L127 HydrophobicContact CE1-CG 4.48Å; F105-K194 PolarHBondContact O-NZ 2.95Å
106	V	96.5	Very high	96.1	Very high	8 Å²	8	62.2 Å²	62.2	5%	0.048	32%	0.323	C	S	.	.	S	Bend	trans	-141.7	147	-176.5	-72.1	0	0	0	0	110.4	E102 E103 E110 I111 M114 V119 I122	E102-V106 VanDerWaalsContact O-CG2 3.26Å; E102-V106 WeakPolarHBondContact O-CG2 3.43Å; E102-V106 PolarHBondContact O-N 3.43Å; E103-V106 WeakPolarHBondContact CA-O 3.43Å; V106-E110 HydrophobicContact CB-CB 4.38Å; V106-I111 HydrophobicContact CB-CG1 4.31Å; V106-I111 HydrophobicContact CG2-CD1 4.01Å; V106-I111 HydrophobicContact CG2-CG1 3.38Å; V106-M114 HydrophobicContact CG1-SD 4.29Å; V106-V119 HydrophobicContact CG2-CB 4.49Å; V106-V119 HydrophobicContact CG2-CG1 3.6Å; V106-V119 HydrophobicContact CG2-CG2 4.17Å; V106-I122 HydrophobicContact CG1-CB 4.45Å; V106-I122 HydrophobicContact CG1-CD1 3.79Å; V106-I122 HydrophobicContact CG1-CG2 4Å
107	S	96.6	Very high	96.2	Very high	55 Å²	55	55.8 Å²	55.8	39%	0.385	29%	0.294	S	S	.	.			trans	-70.2	155.9	178	71.1	0	0	0	0	111.8	S109 E110 I111	S107-S109 PolarHBondContact O-N 2.96Å; S107-E110 VanDerWaalsContact CB-OE2 3.25Å; S107-E110 WeakPolarHBondContact CB-OE2 3.21Å; S107-E110 PolarHBondContact N-OE2 3.29Å; S107-E110 PolarHBondContact O-N 2.76Å; S107-E110 VanDerWaalsContact OG-CD 3.31Å; S107-E110 VanDerWaalsContact OG-CG 3.32Å; S107-E110 WeakPolarHBondContact OG-CG 3.27Å; S107-E110 PolarHBondContact OG-N 3.33Å; S107-E110 PolarHBondContact OG-OE2 2.65Å; S107-I111 WeakPolarHBondContact O-CG1 3.46Å; S107-I111 PolarHBondContact O-N 2.71Å
108	K	94.5	Very high	96.4	Very high	128 Å²	128	47.7 Å²	47.7	56%	0.557	26%	0.256	S	S	*	.	H	α-helix	trans	-53.1	-29.2	174.4	-71.3	-176.1	176.3	176.6	0	114.3	E103	E103-K108 HydrophobicContact CG-CG 4.29Å; E103-K108 WeakPolarHBondContact OE1-CE 3.42Å; E103-K108 IonicContact OE1-NZ 3.42Å; E103-K108 PolarHBondContact OE1-NZ 3.32Å; E103-K108 WeakPolarHBondContact OE2-CE 3.48Å; E103-K108 IonicContact OE2-NZ 3.36Å; E103-K108 PolarHBondContact OE2-NZ 3.02Å
109	S	92.8	Very high	96.6	Very high	94 Å²	94	47.3 Å²	47.3	66%	0.657	25%	0.252	S	S	*	.	H	α-helix	trans	-74.1	-41.5	177.8	-172.6	0	0	0	0	111.4	S107 K112	S107-S109 PolarHBondContact O-N 2.96Å; S109-K112 PolarHBondContact O-N 3.18Å
110	E	94.6	Very high	96.6	Very high	86 Å²	86	44.5 Å²	44.5	40%	0.402	24%	0.239	S	C	.	.	H	α-helix	trans	-71.1	-37	-179.9	-71	165	129.9	0	0	112.1	V106 S107 K112 S113 M114	V106-E110 HydrophobicContact CB-CB 4.38Å; S107-E110 VanDerWaalsContact CB-OE2 3.25Å; S107-E110 WeakPolarHBondContact CB-OE2 3.21Å; S107-E110 PolarHBondContact N-OE2 3.29Å; S107-E110 PolarHBondContact O-N 2.76Å; S107-E110 VanDerWaalsContact OG-CD 3.31Å; S107-E110 VanDerWaalsContact OG-CG 3.32Å; S107-E110 WeakPolarHBondContact OG-CG 3.27Å; S107-E110 PolarHBondContact OG-N 3.33Å; S107-E110 PolarHBondContact OG-OE2 2.65Å; E110-K112 PolarHBondContact O-N 3.43Å; E110-K112 VanDerWaalsContact O-N 3.11Å; E110-S113 PolarHBondContact O-N 3.48Å; E110-S113 PolarHBondContact O-OG 2.97Å; E110-M114 HydrophobicContact CB-CE 3.82Å; E110-M114 HydrophobicContact CB-SD 4.44Å; E110-M114 HydrophobicContact CG-CE 4.26Å; E110-M114 WeakPolarHBondContact O-CG 3.23Å; E110-M114 PolarHBondContact O-N 3.49Å
111	I	94.6	Very high	96.6	Very high	38 Å²	38	44.4 Å²	44.4	20%	0.195	24%	0.238	C	C	.	.	H	α-helix	trans	-52.3	-39.3	176.2	-68.2	169.5	0	0	0	111.1	E102 E103 V106 S107 S113 M114	E102-I111 HydrophobicContact CB-CD1 3.66Å; E102-I111 HydrophobicContact CB-CG1 4.31Å; E103-I111 HydrophobicContact CG-CD1 4.29Å; V106-I111 HydrophobicContact CB-CG1 4.31Å; V106-I111 HydrophobicContact CG2-CD1 4.01Å; V106-I111 HydrophobicContact CG2-CG1 3.38Å; S107-I111 WeakPolarHBondContact O-CG1 3.46Å; S107-I111 PolarHBondContact O-N 2.71Å; I111-S113 VanDerWaalsContact C-N 3.25Å; I111-S113 PolarHBondContact O-N 2.69Å; I111-M114 PolarHBondContact O-N 3.46Å; I111-M114 VanDerWaalsContact O-O 3.13Å
112	K	93.8	Very high	96.7	Very high	160 Å²	160	43.7 Å²	43.7	70%	0.696	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-21.9	-178.1	-65.4	177.9	-177.1	179	0	113.8	S109 E110	S109-K112 PolarHBondContact O-N 3.18Å; E110-K112 PolarHBondContact O-N 3.43Å; E110-K112 VanDerWaalsContact O-N 3.11Å
113	S	95.4	Very high	96.8	Very high	20 Å²	20	41.5 Å²	41.5	14%	0.14	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-1.1	-179.3	62.6	0	0	0	0	113.6	E110 I111	E110-S113 PolarHBondContact O-N 3.48Å; E110-S113 PolarHBondContact O-OG 2.97Å; I111-S113 VanDerWaalsContact C-N 3.25Å; I111-S113 PolarHBondContact O-N 2.69Å
114	M	97.7	Very high	96.9	Very high	10 Å²	10	35.9 Å²	35.9	5%	0.049	20%	0.197	C	C	.	.	S	Bend	trans	-121	150.4	-176.6	-62.9	176.6	-170.6	0	0	111.5	V106 E110 I111 T118 V119 I122 K181 Q190	V106-M114 HydrophobicContact CG1-SD 4.29Å; E110-M114 HydrophobicContact CB-CE 3.82Å; E110-M114 HydrophobicContact CB-SD 4.44Å; E110-M114 HydrophobicContact CG-CE 4.26Å; E110-M114 WeakPolarHBondContact O-CG 3.23Å; E110-M114 PolarHBondContact O-N 3.49Å; I111-M114 PolarHBondContact O-N 3.46Å; I111-M114 VanDerWaalsContact O-O 3.13Å; M114-T118 HydrophobicContact CB-CG2 4.06Å; M114-T118 HydrophobicContact CG-CG2 4.14Å; M114-T118 HydrophobicContact SD-CG2 4.17Å; M114-V119 HydrophobicContact CB-CG2 3.97Å; M114-V119 HydrophobicContact SD-CG2 4.46Å; M114-I122 HydrophobicContact CE-CD1 4.2Å; M114-I122 HydrophobicContact SD-CD1 3.64Å; M114-K181 WeakPolarHBondContact O-CE 3.42Å; M114-Q190 HydrophobicContact CE-CB 4.48Å; M114-Q190 HydrophobicContact CE-CG 4.1Å; M114-Q190 HydrophobicContact CG-CG 4.46Å; M114-Q190 HydrophobicContact SD-CG 4.37Å
115	S	97.9	Very high	97	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.007	17%	0.171	C	C	.	.			trans	-74.1	156.6	169.6	63.4	0	0	0	0	111	A117 T118 V119 K181	S115-A117 PolarHBondContact O-N 2.7Å; S115-T118 WeakPolarHBondContact O-CA 3.36Å; S115-T118 WeakPolarHBondContact O-CB 3.42Å; S115-T118 PolarHBondContact O-N 3.14Å; S115-T118 PolarHBondContact OG-N 3.05Å; S115-T118 PolarHBondContact OG-OG1 3.37Å; S115-V119 PolarHBondContact O-N 2.92Å; S115-K181 WeakPolarHBondContact CB-O 3.39Å
116	S	97.9	Very high	97.1	Very high	38 Å²	38	33.8 Å²	33.8	27%	0.266	18%	0.179	S	C	.	.	H	α-helix	trans	-57.9	-38.7	177.1	-165	0	0	0	0	112.1	R93 T118 V119 M120	R93-S116 PolarHBondContact NH2-OG 2.86Å; S116-T118 VanDerWaalsContact C-N 3.32Å; S116-T118 PolarHBondContact O-N 3.38Å; S116-V119 PolarHBondContact O-N 3.48Å; S116-V119 VanDerWaalsContact O-N 3.15Å; S116-M120 WeakPolarHBondContact O-CG 3.41Å; S116-M120 PolarHBondContact O-N 3.49Å
117	A	98.5	Very high	97.3	Very high	4 Å²	4	35.3 Å²	35.3	3%	0.033	19%	0.187	C	C	.	.	H	α-helix	trans	-60.3	-39.9	174.4	0	0	0	0	0	112.3	S115 M120 A121 M151 T235 A237	S115-A117 PolarHBondContact O-N 2.7Å; A117-M120 PolarHBondContact O-N 2.66Å; A117-A121 WeakPolarHBondContact O-CB 3.4Å; A117-A121 PolarHBondContact O-N 3.27Å; A117-M151 HydrophobicContact CB-SD 3.51Å; A117-M151 VanDerWaalsContact CB-SD 3.51Å; A117-T235 HydrophobicContact CB-CG2 4.09Å; A117-T235 WeakPolarHBondContact O-CB 3.21Å; A117-T235 PolarHBondContact O-OG1 2.91Å; A117-A237 HydrophobicContact CB-CB 3.8Å
118	T	98.8	Very high	97.4	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.012	17%	0.168	C	C	.	.	H	α-helix	trans	-64	-42.5	175.3	-62.1	0	0	0	0	111.2	M114 S115 S116 A121 I122 Q190	M114-T118 HydrophobicContact CB-CG2 4.06Å; M114-T118 HydrophobicContact CG-CG2 4.14Å; M114-T118 HydrophobicContact SD-CG2 4.17Å; S115-T118 WeakPolarHBondContact O-CA 3.36Å; S115-T118 WeakPolarHBondContact O-CB 3.42Å; S115-T118 PolarHBondContact O-N 3.14Å; S115-T118 PolarHBondContact OG-N 3.05Å; S115-T118 PolarHBondContact OG-OG1 3.37Å; S116-T118 VanDerWaalsContact C-N 3.32Å; S116-T118 PolarHBondContact O-N 3.38Å; T118-A121 WeakPolarHBondContact O-CB 3.24Å; T118-A121 PolarHBondContact O-N 2.88Å; T118-I122 HydrophobicContact CG2-CD1 4.21Å; T118-I122 WeakPolarHBondContact O-CG1 3.28Å; T118-I122 PolarHBondContact O-N 3Å; T118-Q190 HydrophobicContact CG2-CB 4.03Å; T118-Q190 HydrophobicContact CG2-CG 3.75Å
119	V	98.7	Very high	97.6	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	15%	0.147	C	C	.	.	H	α-helix	trans	-64.5	-43.8	177.8	177.2	0	0	0	0	111.5	F100 E102 V106 M114 S115 S116 A121 I122 G123	F100-V119 HydrophobicContact CE1-CG1 4.22Å; F100-V119 HydrophobicContact CZ-CG1 4.03Å; E102-V119 HydrophobicContact CB-CG1 3.91Å; E102-V119 HydrophobicContact CG-CG1 3.76Å; V106-V119 HydrophobicContact CG2-CB 4.49Å; V106-V119 HydrophobicContact CG2-CG1 3.6Å; V106-V119 HydrophobicContact CG2-CG2 4.17Å; M114-V119 HydrophobicContact CB-CG2 3.97Å; M114-V119 HydrophobicContact SD-CG2 4.46Å; S115-V119 PolarHBondContact O-N 2.92Å; S116-V119 PolarHBondContact O-N 3.48Å; S116-V119 VanDerWaalsContact O-N 3.15Å; V119-A121 VanDerWaalsContact C-N 3.32Å; V119-A121 PolarHBondContact O-N 3.47Å; V119-I122 PolarHBondContact O-N 3.17Å; V119-G123 PolarHBondContact O-N 3.31Å
120	M	98.9	Very high	97.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.5	-40.8	173.5	-68.2	-178.2	-174.3	0	0	111.9	V51 V91 R93 F100 S116 A117 I122 G123 A124 A237 E279 A281	V51-M120 HydrophobicContact CG1-CB 4.23Å; V51-M120 HydrophobicContact CG1-CG 4.07Å; V51-M120 HydrophobicContact CG1-SD 4.45Å; V91-M120 HydrophobicContact CB-CE 4.19Å; V91-M120 HydrophobicContact CG2-CE 4.08Å; V91-M120 HydrophobicContact CG2-SD 4.18Å; R93-M120 VanDerWaalsContact NH2-CE 3.25Å; F100-M120 HydrophobicContact CE1-CG 3.85Å; F100-M120 HydrophobicContact CZ-CB 4.43Å; F100-M120 HydrophobicContact CZ-CG 4.05Å; S116-M120 WeakPolarHBondContact O-CG 3.41Å; S116-M120 PolarHBondContact O-N 3.49Å; A117-M120 PolarHBondContact O-N 2.66Å; M120-I122 PolarHBondContact O-N 2.84Å; M120-G123 PolarHBondContact O-N 2.73Å; M120-A124 WeakPolarHBondContact O-CB 3.35Å; M120-A124 PolarHBondContact O-N 3.16Å; M120-A237 HydrophobicContact CE-CB 4.21Å; M120-A237 HydrophobicContact SD-CB 4.19Å; M120-E279 HydrophobicContact CE-CG 4.3Å; M120-A281 HydrophobicContact CB-CB 3.89Å; M120-A281 WeakPolarHBondContact O-CB 3.49Å
121	A	98.9	Very high	98.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.2	-42.4	177.2	0	0	0	0	0	112.1	A117 T118 V119 A124 A125 I149 A187 I191 T235	A117-A121 WeakPolarHBondContact O-CB 3.4Å; A117-A121 PolarHBondContact O-N 3.27Å; T118-A121 WeakPolarHBondContact O-CB 3.24Å; T118-A121 PolarHBondContact O-N 2.88Å; V119-A121 VanDerWaalsContact C-N 3.32Å; V119-A121 PolarHBondContact O-N 3.47Å; A121-A124 PolarHBondContact O-N 3.29Å; A121-A125 VanDerWaalsContact O-CB 3.29Å; A121-A125 WeakPolarHBondContact O-CB 3.31Å; A121-A125 PolarHBondContact O-N 3.08Å; A121-I149 HydrophobicContact CB-CG2 4.28Å; A121-A187 HydrophobicContact CB-CB 3.94Å; A121-I191 HydrophobicContact CB-CD1 4.03Å; A121-T235 HydrophobicContact CB-CG2 3.94Å
122	I	98.9	Very high	98.3	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-62.4	-44.4	175.1	-67.4	165	0	0	0	110.4	F105 V106 M114 T118 V119 M120 A125 E126 Q190 I191 K194	F105-I122 HydrophobicContact CB-CG2 4.45Å; V106-I122 HydrophobicContact CG1-CB 4.45Å; V106-I122 HydrophobicContact CG1-CD1 3.79Å; V106-I122 HydrophobicContact CG1-CG2 4Å; M114-I122 HydrophobicContact CE-CD1 4.2Å; M114-I122 HydrophobicContact SD-CD1 3.64Å; T118-I122 HydrophobicContact CG2-CD1 4.21Å; T118-I122 WeakPolarHBondContact O-CG1 3.28Å; T118-I122 PolarHBondContact O-N 3Å; V119-I122 PolarHBondContact O-N 3.17Å; M120-I122 PolarHBondContact O-N 2.84Å; I122-A125 PolarHBondContact O-N 3.11Å; I122-E126 PolarHBondContact O-N 3.01Å; I122-Q190 HydrophobicContact CD1-CB 3.93Å; I122-Q190 HydrophobicContact CG1-CB 4.42Å; I122-I191 HydrophobicContact CG1-CG1 3.98Å; I122-K194 HydrophobicContact CG2-CD 3.72Å
123	G	98.8	Very high	98.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.9	-46.4	176.8	0	0	0	0	0	112.7	V119 M120 A125 E126 L127	V119-G123 PolarHBondContact O-N 3.31Å; M120-G123 PolarHBondContact O-N 2.73Å; G123-A125 PolarHBondContact O-N 3.46Å; G123-E126 PolarHBondContact O-N 3.32Å; G123-L127 VanDerWaalsContact O-CG 3.28Å; G123-L127 WeakPolarHBondContact O-CG 3.37Å; G123-L127 PolarHBondContact O-N 3.44Å; G123-L127 VanDerWaalsContact O-N 3.09Å
124	A	98.9	Very high	98.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.5	-40.1	175.7	0	0	0	0	0	112.3	G49 V51 M120 A121 L127 A128 A281 V283	G49-A124 WeakPolarHBondContact CA-O 3.13Å; V51-A124 HydrophobicContact CG2-CB 4.13Å; M120-A124 WeakPolarHBondContact O-CB 3.35Å; M120-A124 PolarHBondContact O-N 3.16Å; A121-A124 PolarHBondContact O-N 3.29Å; A124-L127 PolarHBondContact O-N 3.33Å; A124-A128 WeakPolarHBondContact O-CB 3.46Å; A124-A128 PolarHBondContact O-N 2.94Å; A124-A281 HydrophobicContact CB-CB 3.82Å; A124-V283 HydrophobicContact CB-CB 4.31Å; A124-V283 HydrophobicContact CB-CG2 3.79Å
125	A	98.9	Very high	98.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.9	-43	175.5	0	0	0	0	0	112.3	A121 I122 G123 L127 A128 I129 I191 Y195 L231 V283	A121-A125 VanDerWaalsContact O-CB 3.29Å; A121-A125 WeakPolarHBondContact O-CB 3.31Å; A121-A125 PolarHBondContact O-N 3.08Å; I122-A125 PolarHBondContact O-N 3.11Å; G123-A125 PolarHBondContact O-N 3.46Å; A125-L127 VanDerWaalsContact C-N 3.34Å; A125-L127 PolarHBondContact O-N 2.95Å; A125-A128 PolarHBondContact O-N 3.34Å; A125-I129 WeakPolarHBondContact O-CB 3.47Å; A125-I129 VanDerWaalsContact O-CG1 3.32Å; A125-I129 WeakPolarHBondContact O-CG1 3.34Å; A125-I129 PolarHBondContact O-N 2.87Å; A125-I191 HydrophobicContact CB-CD1 3.8Å; A125-I191 HydrophobicContact CB-CG1 3.97Å; A125-I191 HydrophobicContact CB-CG2 4.03Å; A125-Y195 HydrophobicContact CB-CE2 4.26Å; A125-L231 HydrophobicContact CB-CD2 3.85Å; A125-V283 HydrophobicContact CB-CG1 4.42Å; A125-V283 HydrophobicContact CB-CG2 4.28Å
126	E	98.8	Very high	98.3	Very high	62 Å²	62	30 Å²	30	29%	0.29	16%	0.159	S	C	.	.	H	α-helix	trans	-61.3	-44.5	177	-162.8	161.2	121.6	0	0	111.9	F105 I122 G123 A128 I129 K130 K194 Y195	F105-E126 HydrophobicContact CD1-CB 4.13Å; F105-E126 HydrophobicContact CE1-CB 4.41Å; I122-E126 PolarHBondContact O-N 3.01Å; G123-E126 PolarHBondContact O-N 3.32Å; E126-A128 VanDerWaalsContact C-N 3.33Å; E126-A128 PolarHBondContact O-N 3.41Å; E126-I129 PolarHBondContact O-N 3.38Å; E126-K130 VanDerWaalsContact O-CB 3.31Å; E126-K130 WeakPolarHBondContact O-CB 3.33Å; E126-K130 PolarHBondContact O-N 3.49Å; E126-K194 IonicContact OE2-NZ 2.65Å; E126-K194 PolarHBondContact OE2-NZ 3.14Å; E126-Y195 WeakPolarHBondContact CA-OH 3.4Å; E126-Y195 WeakPolarHBondContact CB-OH 3.5Å; E126-Y195 WeakPolarHBondContact CG-OH 3.46Å; E126-Y195 PolarHBondContact OE2-OH 2.95Å
127	L	98.9	Very high	98.2	Very high	41 Å²	41	35.4 Å²	35.4	22%	0.215	18%	0.18	C	C	.	.	H	α-helix	trans	-62.1	-41.7	176	-67.5	169.2	0	0	0	111.4	V51 V56 F105 G123 A124 A125 K130 D131	V51-L127 HydrophobicContact CG2-CD1 4.39Å; V56-L127 HydrophobicContact CG1-CD1 3.65Å; F105-L127 HydrophobicContact CE1-CG 4.48Å; G123-L127 VanDerWaalsContact O-CG 3.28Å; G123-L127 WeakPolarHBondContact O-CG 3.37Å; G123-L127 PolarHBondContact O-N 3.44Å; G123-L127 VanDerWaalsContact O-N 3.09Å; A124-L127 PolarHBondContact O-N 3.33Å; A125-L127 VanDerWaalsContact C-N 3.34Å; A125-L127 PolarHBondContact O-N 2.95Å; L127-K130 PolarHBondContact O-N 2.97Å; L127-D131 VanDerWaalsContact O-CB 3.24Å; L127-D131 WeakPolarHBondContact O-CB 3.36Å; L127-D131 PolarHBondContact O-N 3.19Å
128	A	98.9	Very high	98.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-67.7	-43	179.6	0	0	0	0	0	112.5	A124 A125 E126 D131 A132 V283 V285	A124-A128 WeakPolarHBondContact O-CB 3.46Å; A124-A128 PolarHBondContact O-N 2.94Å; A125-A128 PolarHBondContact O-N 3.34Å; E126-A128 VanDerWaalsContact C-N 3.33Å; E126-A128 PolarHBondContact O-N 3.41Å; A128-D131 PolarHBondContact O-N 2.89Å; A128-A132 WeakPolarHBondContact O-CB 3.11Å; A128-A132 PolarHBondContact O-N 3.4Å; A128-V283 HydrophobicContact CB-CB 4.08Å; A128-V283 HydrophobicContact CB-CG1 3.98Å; A128-V283 WeakPolarHBondContact CB-O 3.47Å; A128-V285 HydrophobicContact CB-CG2 3.94Å; A128-V285 WeakPolarHBondContact O-CG2 3.3Å
129	I	98.8	Very high	98.1	Very high	22 Å²	22	41.6 Å²	41.6	11%	0.113	21%	0.213	C	C	.	.	H	α-helix	trans	-60.1	-47.3	174.6	-76.7	173.9	0	0	0	110.3	A125 E126 D131 A132 D133 W134 Y195 L231	A125-I129 WeakPolarHBondContact O-CB 3.47Å; A125-I129 VanDerWaalsContact O-CG1 3.32Å; A125-I129 WeakPolarHBondContact O-CG1 3.34Å; A125-I129 PolarHBondContact O-N 2.87Å; E126-I129 PolarHBondContact O-N 3.38Å; I129-D131 VanDerWaalsContact C-N 3.32Å; I129-D131 PolarHBondContact O-N 3.01Å; I129-A132 PolarHBondContact O-N 3.3Å; I129-D133 PolarHBondContact O-N 3.36Å; I129-D133 VanDerWaalsContact O-N 3.16Å; I129-W134 WeakPolarHBondContact CG2-O 3.41Å; I129-W134 PolarHBondContact O-N 2.63Å; I129-Y195 HydrophobicContact CD1-CD1 3.6Å; I129-Y195 HydrophobicContact CD1-CD2 3.73Å; I129-Y195 HydrophobicContact CD1-CE1 3.83Å; I129-Y195 HydrophobicContact CD1-CE2 3.96Å; I129-Y195 HydrophobicContact CD1-CG 3.56Å; I129-L231 HydrophobicContact CD1-CD2 3.68Å; I129-L231 HydrophobicContact CG1-CD1 4.21Å; I129-L231 HydrophobicContact CG1-CD2 3.91Å; I129-L231 HydrophobicContact CG1-CG 4.42Å
130	K	98.6	Very high	98.1	Very high	172 Å²	172	47 Å²	47	75%	0.748	24%	0.239	S	C	*	.	H	α-helix	trans	-62.6	-40.7	177.5	-174.5	178.4	-179.8	-179.9	0	111.6	E126 L127 D133	E126-K130 VanDerWaalsContact O-CB 3.31Å; E126-K130 WeakPolarHBondContact O-CB 3.33Å; E126-K130 PolarHBondContact O-N 3.49Å; L127-K130 PolarHBondContact O-N 2.97Å; K130-D133 PolarHBondContact O-N 3.27Å
131	D	98.9	Very high	98	Very high	38 Å²	38	48.9 Å²	48.9	20%	0.203	25%	0.248	C	C	.	.	H	α-helix	trans	-69.4	-32.1	177.7	-168.6	58.1	0	0	0	112.7	G47 I48 L127 A128 I129 D133 R298 Y300	G47-D131 WeakPolarHBondContact CA-OD2 3.5Å; I48-D131 PolarHBondContact N-OD2 3.48Å; L127-D131 VanDerWaalsContact O-CB 3.24Å; L127-D131 WeakPolarHBondContact O-CB 3.36Å; L127-D131 PolarHBondContact O-N 3.19Å; A128-D131 PolarHBondContact O-N 2.89Å; I129-D131 VanDerWaalsContact C-N 3.32Å; I129-D131 PolarHBondContact O-N 3.01Å; D131-D133 VanDerWaalsContact C-N 3.25Å; D131-D133 PolarHBondContact O-N 3.44Å; D131-R298 PolarHBondContact O-NH2 3.46Å; D131-R298 IonicContact OD1-CZ 3.86Å; D131-R298 IonicContact OD1-NH2 2.7Å; D131-R298 PolarHBondContact OD1-NH2 3.27Å; D131-R298 IonicContact OD2-NH2 3.72Å; D131-R298 PolarHBondContact OD2-NH2 3.5Å; D131-Y300 VanDerWaalsContact CG-OH 3.3Å; D131-Y300 PolarHBondContact OD1-OH 2.8Å; D131-Y300 WeakPolarHBondContact OD2-CE2 3.26Å; D131-Y300 PolarHBondContact OD2-OH 3.5Å
132	A	98.7	Very high	98	Very high	4 Å²	4	52.9 Å²	52.9	3%	0.033	26%	0.263	C	S	.	.	H	α-helix	trans	-75.7	-13.1	174.3	0	0	0	0	0	113.8	T46 A128 I129 W134 V285 R295	T46-A132 WeakPolarHBondContact O-CA 3.27Å; A128-A132 WeakPolarHBondContact O-CB 3.11Å; A128-A132 PolarHBondContact O-N 3.4Å; I129-A132 PolarHBondContact O-N 3.3Å; A132-W134 HydrophobicContact CB-CB 3.92Å; A132-W134 PolarHBondContact O-N 3.35Å; A132-V285 HydrophobicContact CB-CB 3.96Å; A132-V285 HydrophobicContact CB-CG1 4.03Å; A132-V285 HydrophobicContact CB-CG2 3.84Å; A132-R295 PolarHBondContact O-NH1 3.09Å; A132-R295 PolarHBondContact O-NH2 3.15Å
133	D	98.3	Very high	98	Very high	144 Å²	144	56.7 Å²	56.7	77%	0.77	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.1	50.3	-165.4	-166.8	31.4	0	0	0	111.2	I129 K130 D131 R295	I129-D133 PolarHBondContact O-N 3.36Å; I129-D133 VanDerWaalsContact O-N 3.16Å; K130-D133 PolarHBondContact O-N 3.27Å; D131-D133 VanDerWaalsContact C-N 3.25Å; D131-D133 PolarHBondContact O-N 3.44Å; D133-R295 PolarHBondContact O-NH1 3.1Å
134	W	97.6	Very high	98	Very high	15 Å²	15	57.8 Å²	57.8	6%	0.057	29%	0.29	C	S	.	.			trans	-128.1	132.6	-174.9	-176.6	87.1	0	0	0	110.6	I129 A132 P136 A145 L197 V229 H291	I129-W134 WeakPolarHBondContact CG2-O 3.41Å; I129-W134 PolarHBondContact O-N 2.63Å; A132-W134 HydrophobicContact CB-CB 3.92Å; A132-W134 PolarHBondContact O-N 3.35Å; W134-P136 HydrophobicContact CH2-CB 4.1Å; W134-P136 HydrophobicContact CH2-CG 4.28Å; W134-P136 HydrophobicContact CZ2-CB 4.37Å; W134-A145 HydrophobicContact CH2-CB 3.32Å; W134-A145 HydrophobicContact CZ2-CB 3.81Å; W134-A145 HydrophobicContact CZ3-CB 4.32Å; W134-L197 HydrophobicContact CH2-CD2 3.83Å; W134-L197 HydrophobicContact CZ3-CD2 3.86Å; W134-V229 HydrophobicContact CD2-CG1 4.15Å; W134-V229 HydrophobicContact CD2-CG2 4.48Å; W134-V229 HydrophobicContact CE3-CG1 4.18Å; W134-V229 HydrophobicContact CH2-CB 4.39Å; W134-V229 HydrophobicContact CH2-CG1 4.19Å; W134-V229 HydrophobicContact CZ2-CB 4.05Å; W134-V229 HydrophobicContact CZ2-CG1 4.13Å; W134-V229 HydrophobicContact CZ2-CG2 3.87Å; W134-V229 HydrophobicContact CZ3-CG1 4.2Å; W134-H291 AromaticContact NE1-CE1 3.84Å
135	S	95.4	Very high	98	Very high	61 Å²	61	57.9 Å²	57.9	43%	0.427	29%	0.291	S	S	.	.			trans	-151.2	145.6	167.6	54.3	0	0	0	0	109	Q137	S135-Q137 PolarHBondContact O-N 3.01Å; S135-Q137 PolarHBondContact O-NE2 3.17Å; S135-Q137 PolarHBondContact OG-NE2 2.93Å
136	P	95.4	Very high	98	Very high	24 Å²	24	57.9 Å²	57.9	16%	0.156	29%	0.291	C	S	.	.			trans	-67.7	118.4	-177	27.3	-33.6	0	0	0	110.5	W134 D141 R142 L197	W134-P136 HydrophobicContact CH2-CB 4.1Å; W134-P136 HydrophobicContact CH2-CG 4.28Å; W134-P136 HydrophobicContact CZ2-CB 4.37Å; P136-D141 HydrophobicContact CB-CB 3.72Å; P136-R142 HydrophobicContact CB-CG 3.67Å; P136-R142 HydrophobicContact CG-CG 4.04Å; P136-L197 HydrophobicContact CG-CD2 4.23Å
137	Q	95.3	Very high	98	Very high	152 Å²	152	55 Å²	55	71%	0.71	28%	0.278	S	S	*	.			trans	-91.7	-24.8	-179.7	-58.3	-54.1	-60.7	0	0	112.3	S135 D141	S135-Q137 PolarHBondContact O-N 3.01Å; S135-Q137 PolarHBondContact O-NE2 3.17Å; S135-Q137 PolarHBondContact OG-NE2 2.93Å; Q137-D141 WeakPolarHBondContact CA-OD2 3.35Å; Q137-D141 PolarHBondContact N-OD2 3.15Å
138	S	97.6	Very high	98	Very high	47 Å²	47	53.1 Å²	53.1	33%	0.329	27%	0.268	S	S	.	.	S	Bend	trans	-124.9	164.4	-178.4	84	0	0	0	0	112.2	Q140 D141 R142	S138-Q140 PolarHBondContact O-N 2.99Å; S138-Q140 WeakPolarHBondContact OG-CB 3.35Å; S138-Q140 PolarHBondContact OG-N 3.26Å; S138-D141 PolarHBondContact N-OD2 3.2Å; S138-D141 PolarHBondContact O-N 2.94Å; S138-D141 PolarHBondContact OG-N 2.86Å; S138-D141 PolarHBondContact OG-OD1 2.7Å; S138-R142 WeakPolarHBondContact O-CG 3.36Å; S138-R142 PolarHBondContact O-N 3.07Å
139	E	98.1	Very high	98	Very high	89 Å²	89	53.1 Å²	53.1	42%	0.416	27%	0.268	S	S	.	.	H	α-helix	trans	-63	-31.5	170.2	-179.4	64.8	-176.6	0	0	111.2	R142 L143 K198	E139-R142 WeakPolarHBondContact O-CB 3.34Å; E139-R142 PolarHBondContact O-N 2.93Å; E139-R142 IonicContact OE2-NH1 3.85Å; E139-L143 HydrophobicContact CG-CD1 4.21Å; E139-L143 HydrophobicContact CG-CG 4.45Å; E139-L143 VanDerWaalsContact O-CG 3.28Å; E139-L143 WeakPolarHBondContact O-CG 3.44Å; E139-L143 PolarHBondContact O-N 3.03Å; E139-K198 IonicContact OE1-NZ 3.29Å; E139-K198 PolarHBondContact OE1-NZ 3.33Å; E139-K198 IonicContact OE2-NZ 3.33Å; E139-K198 PolarHBondContact OE2-NZ 2.92Å
140	Q	97.8	Very high	98	Very high	115 Å²	115	52 Å²	52	54%	0.537	26%	0.263	S	S	.	.	H	α-helix	trans	-63.3	-44.6	175.7	-174	60.6	34.6	0	0	111	S138 R142 L143 T144	S138-Q140 PolarHBondContact O-N 2.99Å; S138-Q140 WeakPolarHBondContact OG-CB 3.35Å; S138-Q140 PolarHBondContact OG-N 3.26Å; Q140-R142 PolarHBondContact O-N 3.03Å; Q140-L143 PolarHBondContact O-N 2.91Å; Q140-T144 VanDerWaalsContact NE2-CG2 3.25Å; Q140-T144 PolarHBondContact O-N 3.32Å; Q140-T144 PolarHBondContact O-OG1 2.98Å
141	D	97.7	Very high	98	Very high	38 Å²	38	43.9 Å²	43.9	20%	0.203	23%	0.227	C	C	.	.	H	α-helix	trans	-60	-38.3	177	-51.7	-2.7	0	0	0	110.6	P136 Q137 S138 T144 A145	P136-D141 HydrophobicContact CB-CB 3.72Å; Q137-D141 WeakPolarHBondContact CA-OD2 3.35Å; Q137-D141 PolarHBondContact N-OD2 3.15Å; S138-D141 PolarHBondContact N-OD2 3.2Å; S138-D141 PolarHBondContact O-N 2.94Å; S138-D141 PolarHBondContact OG-N 2.86Å; S138-D141 PolarHBondContact OG-OD1 2.7Å; D141-T144 PolarHBondContact O-N 2.81Å; D141-A145 WeakPolarHBondContact O-CB 3.3Å; D141-A145 PolarHBondContact O-N 2.84Å
142	R	98.4	Very high	97.9	Very high	84 Å²	84	42.6 Å²	42.6	32%	0.317	22%	0.223	S	C	.	.	H	α-helix	trans	-64.2	-42.5	175.7	-65.5	178.7	-179.1	178.5	-3.4	111.4	P136 S138 E139 Q140 T144 Q196 K198 G199	P136-R142 HydrophobicContact CB-CG 3.67Å; P136-R142 HydrophobicContact CG-CG 4.04Å; S138-R142 WeakPolarHBondContact O-CG 3.36Å; S138-R142 PolarHBondContact O-N 3.07Å; E139-R142 WeakPolarHBondContact O-CB 3.34Å; E139-R142 PolarHBondContact O-N 2.93Å; E139-R142 IonicContact OE2-NH1 3.85Å; Q140-R142 PolarHBondContact O-N 3.03Å; R142-T144 VanDerWaalsContact C-N 3.35Å; R142-Q196 VanDerWaalsContact CB-O 3.29Å; R142-Q196 WeakPolarHBondContact CB-O 3.31Å; R142-Q196 VanDerWaalsContact CG-O 3.23Å; R142-Q196 WeakPolarHBondContact CG-O 3.24Å; R142-K198 HydrophobicContact CB-CD 4.16Å; R142-K198 HydrophobicContact CB-CG 4.34Å; R142-K198 CarbonylContact O-C 3.41Å; R142-K198 WeakPolarHBondContact O-CA 3.22Å; R142-K198 WeakPolarHBondContact O-CB 3.11Å; R142-K198 PolarHBondContact O-N 2.9Å; R142-G199 PolarHBondContact O-N 2.91Å
143	L	98.6	Very high	97.9	Very high	83 Å²	83	44.3 Å²	44.3	44%	0.435	23%	0.231	S	C	.	.	H	α-helix	trans	-70.8	-29.4	-179.1	-68.1	171.4	0	0	0	112.8	E139 Q140 K198 G199	E139-L143 HydrophobicContact CG-CD1 4.21Å; E139-L143 HydrophobicContact CG-CG 4.45Å; E139-L143 VanDerWaalsContact O-CG 3.28Å; E139-L143 WeakPolarHBondContact O-CG 3.44Å; E139-L143 PolarHBondContact O-N 3.03Å; Q140-L143 PolarHBondContact O-N 2.91Å; L143-K198 HydrophobicContact CD2-CB 4.1Å; L143-K198 HydrophobicContact CD2-CD 4.27Å; L143-G199 WeakPolarHBondContact O-CA 3.23Å
144	T	98.1	Very high	97.9	Very high	23 Å²	23	39.9 Å²	39.9	14%	0.141	21%	0.209	C	C	.	.	H	α-helix	trans	-97.9	-1.4	178.3	64.1	0	0	0	0	113.7	Q140 D141 R142 A227 D228 V229	Q140-T144 VanDerWaalsContact NE2-CG2 3.25Å; Q140-T144 PolarHBondContact O-N 3.32Å; Q140-T144 PolarHBondContact O-OG1 2.98Å; D141-T144 PolarHBondContact O-N 2.81Å; R142-T144 VanDerWaalsContact C-N 3.35Å; T144-A227 CarbonylContact O-C 3.59Å; T144-A227 WeakPolarHBondContact O-CA 3.47Å; T144-A227 WeakPolarHBondContact O-CB 3.4Å; T144-D228 VanDerWaalsContact CB-OD2 3.24Å; T144-D228 WeakPolarHBondContact CB-OD2 3.49Å; T144-D228 PolarHBondContact O-N 3.36Å; T144-D228 PolarHBondContact OG1-OD2 3.03Å; T144-D228 VanDerWaalsContact OG1-OD2 3.09Å; T144-V229 PolarHBondContact O-N 3.36Å
145	A	98.8	Very high	97.8	Very high	1 Å²	1	40 Å²	40	1%	0.008	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	123.6	172.6	0	0	0	0	0	112	W134 D141 L197 K198 G199 V229	W134-A145 HydrophobicContact CH2-CB 3.32Å; W134-A145 HydrophobicContact CZ2-CB 3.81Å; W134-A145 HydrophobicContact CZ3-CB 4.32Å; D141-A145 WeakPolarHBondContact O-CB 3.3Å; D141-A145 PolarHBondContact O-N 2.84Å; A145-L197 HydrophobicContact CB-CD2 3.83Å; A145-L197 CarbonylContact O-C 3.58Å; A145-K198 PolarHBondContact O-N 2.95Å; A145-G199 WeakPolarHBondContact O-CA 3.41Å; A145-G199 PolarHBondContact O-N 2.84Å; A145-V229 CarbonylContact C-O 3.56Å; A145-V229 VanDerWaalsContact CA-O 3.28Å; A145-V229 WeakPolarHBondContact CA-O 3.12Å; A145-V229 HydrophobicContact CB-CB 4.14Å
146	G	98.8	Very high	97.9	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	179.8	-179.7	0	0	0	0	0	114.1	P200 V229 M230 L231	G146-P200 CarbonylContact C-O 3.59Å; G146-P200 WeakPolarHBondContact CA-O 3.4Å; G146-V229 PolarHBondContact N-O 3.03Å; G146-M230 WeakPolarHBondContact CA-SD 3.22Å; G146-M230 WeakPolarHBondContact O-CA 3.38Å; G146-L231 PolarHBondContact O-N 3.28Å
147	V	98.9	Very high	97.8	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	127.3	-179.2	-174	0	0	0	0	109	I149 A188 I191 L197 P200 N201 H202 L231	V147-I149 HydrophobicContact CG1-CG1 3.72Å; V147-A188 HydrophobicContact CG1-CB 3.84Å; V147-I191 HydrophobicContact CG1-CB 4.19Å; V147-I191 HydrophobicContact CG1-CG2 3.95Å; V147-I191 HydrophobicContact CG2-CG2 3.97Å; V147-L197 HydrophobicContact CG2-CB 3.93Å; V147-L197 HydrophobicContact CG2-CD1 3.44Å; V147-L197 VanDerWaalsContact CG2-CD1 3.44Å; V147-L197 HydrophobicContact CG2-CG 4.28Å; V147-P200 PolarHBondContact N-O 3.46Å; V147-N201 WeakPolarHBondContact O-CA 3.47Å; V147-H202 PolarHBondContact O-N 3.49Å; V147-L231 CarbonylContact C-O 3.56Å; V147-L231 WeakPolarHBondContact CA-O 3.35Å; V147-L231 HydrophobicContact CG1-CB 4.47Å; V147-L231 HydrophobicContact CG2-CB 4.47Å
148	A	98.9	Very high	97.9	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.008	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	93.2	167.1	0	0	0	0	0	110.5	H202 S218 M230 L231 A232 G233	A148-H202 VanDerWaalsContact CA-O 3.28Å; A148-H202 WeakPolarHBondContact CA-O 3.32Å; A148-H202 HydrophobicContact CB-CB 4.13Å; A148-S218 WeakPolarHBondContact CB-OG 3.27Å; A148-M230 HydrophobicContact CB-CE 3.83Å; A148-L231 PolarHBondContact N-O 3.11Å; A148-A232 WeakPolarHBondContact O-CA 3.19Å; A148-G233 PolarHBondContact O-N 3.41Å
149	I	98.9	Very high	97.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	119.9	177.5	-56.8	-57.2	0	0	0	108.9	A121 V147 A187 A188 I191 H202 A203 G233 T235 V283	A121-I149 HydrophobicContact CB-CG2 4.28Å; V147-I149 HydrophobicContact CG1-CG1 3.72Å; I149-A187 HydrophobicContact CB-CB 4.41Å; I149-A187 HydrophobicContact CG2-CB 3.81Å; I149-A188 HydrophobicContact CB-CB 4.14Å; I149-I191 HydrophobicContact CG1-CD1 3.75Å; I149-H202 PolarHBondContact N-O 2.89Å; I149-A203 WeakPolarHBondContact O-CB 3.19Å; I149-G233 WeakPolarHBondContact CA-O 3.33Å; I149-T235 HydrophobicContact CG2-CG2 4.28Å; I149-V283 HydrophobicContact CD1-CG1 4.23Å; I149-V283 HydrophobicContact CD1-CG2 3.81Å
150	G	98.8	Very high	97.8	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	156.3	176.1	0	0	0	0	0	113.4	V204 G233 G234 T235	G150-V204 WeakPolarHBondContact CA-O 3.33Å; G150-G233 PolarHBondContact N-O 2.91Å; G150-G234 VanDerWaalsContact O-CA 3.3Å; G150-G234 WeakPolarHBondContact O-CA 3.33Å; G150-T235 PolarHBondContact O-N 3.22Å
151	M	98.8	Very high	97.8	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	131.7	169.3	-178	171.8	60.4	0	0	109.6	A117 M153 V184 V204 S205 T235	A117-M151 HydrophobicContact CB-SD 3.51Å; A117-M151 VanDerWaalsContact CB-SD 3.51Å; M151-M153 WeakPolarHBondContact CG-O 3.4Å; M151-V184 HydrophobicContact CB-CG1 3.97Å; M151-V184 HydrophobicContact CE-CB 4.38Å; M151-V184 HydrophobicContact CE-CG2 4.26Å; M151-V184 WeakPolarHBondContact O-CG1 3.4Å; M151-V204 PolarHBondContact N-O 3.26Å; M151-S205 WeakPolarHBondContact O-CB 3.23Å; M151-S205 PolarHBondContact O-OG 3.49Å; M151-T235 HydrophobicContact CB-CG2 4.07Å; M151-T235 HydrophobicContact CG-CG2 4.29Å; M151-T235 HydrophobicContact SD-CG2 4.4Å
152	G	98	Very high	97.8	Very high	11 Å²	11	35.1 Å²	35.1	11%	0.113	18%	0.183	C	C	.	.	S	Bend	trans	-76.1	-37.5	-170.2	0	0	0	0	0	112.8	S205 E236	G152-S205 PolarHBondContact O-OG 3.07Å; G152-E236 VanDerWaalsContact CA-OE2 3.31Å; G152-E236 WeakPolarHBondContact CA-OE2 3.47Å; G152-E236 PolarHBondContact N-OE2 3.18Å
153	M	97.8	Very high	97.7	Very high	40 Å²	40	33.8 Å²	33.8	20%	0.197	19%	0.189	C	C	.	.	S	Bend	trans	-134	155.5	177.3	-63.7	-170.3	-49.8	0	0	111.7	M151 E236 S238 F247 L388	M151-M153 WeakPolarHBondContact CG-O 3.4Å; M153-E236 PolarHBondContact N-OE2 3.22Å; M153-S238 VanDerWaalsContact CE-OG 3.29Å; M153-S238 WeakPolarHBondContact CE-OG 3.43Å; M153-F247 HydrophobicContact CE-CE2 3.87Å; M153-F247 HydrophobicContact CE-CZ 4.44Å; M153-F247 HydrophobicContact SD-CE2 3.67Å; M153-F247 HydrophobicContact SD-CZ 3.87Å; M153-L388 HydrophobicContact CE-CD1 3.56Å; M153-L388 HydrophobicContact SD-CD1 4.5Å
154	V	97.6	Very high	97.7	Very high	51 Å²	51	36.4 Å²	36.4	31%	0.309	20%	0.198	S	C	.	.			trans	-70.7	152.9	168.1	-67.2	0	0	0	0	110.3	L156 I159 V184	V154-L156 HydrophobicContact CG2-CD2 4.04Å; V154-L156 PolarHBondContact O-N 3.3Å; V154-I159 HydrophobicContact CB-CD1 3.75Å; V154-I159 HydrophobicContact CG2-CD1 3.41Å; V154-I159 VanDerWaalsContact CG2-CD1 3.41Å; V154-V184 HydrophobicContact CG1-CG2 3.92Å
155	P	97.1	Very high	97.7	Very high	16 Å²	16	37.7 Å²	37.7	10%	0.104	20%	0.203	C	C	.	.			trans	-67.5	94.4	176.7	28.6	-35.7	0	0	0	110.5	E157 E158 I159 I182	P155-E157 VanDerWaalsContact C-N 3.34Å; P155-E157 PolarHBondContact O-N 3.08Å; P155-E158 HydrophobicContact CB-CB 4.16Å; P155-E158 HydrophobicContact CB-CG 3.94Å; P155-E158 HydrophobicContact CG-CB 4.23Å; P155-E158 HydrophobicContact CG-CG 4.28Å; P155-E158 PolarHBondContact O-N 3.07Å; P155-I159 PolarHBondContact O-N 3.36Å; P155-I182 HydrophobicContact CG-CB 4.07Å; P155-I182 HydrophobicContact CG-CG2 3.98Å
156	L	96.6	Very high	97.6	Very high	56 Å²	56	42.9 Å²	42.9	29%	0.293	23%	0.226	S	C	.	.	H	α-helix	trans	-63.6	-36.1	-170.9	-70.9	176.5	0	0	0	113.2	V154 I159 S160 L242	V154-L156 HydrophobicContact CG2-CD2 4.04Å; V154-L156 PolarHBondContact O-N 3.3Å; L156-I159 PolarHBondContact O-N 3.36Å; L156-S160 WeakPolarHBondContact O-CB 3.3Å; L156-S160 PolarHBondContact O-N 2.69Å; L156-S160 PolarHBondContact O-OG 3.34Å; L156-L242 HydrophobicContact CB-CD2 4.47Å
157	E	93.8	Very high	97.6	Very high	81 Å²	81	51.6 Å²	51.6	38%	0.379	26%	0.264	S	S	.	.	H	α-helix	trans	-60.7	-51.9	176.7	-72.6	-169.6	150.7	0	0	111	P155 I159 S160 E161 S240 P241	P155-E157 VanDerWaalsContact C-N 3.34Å; P155-E157 PolarHBondContact O-N 3.08Å; E157-I159 VanDerWaalsContact C-N 3.25Å; E157-I159 PolarHBondContact O-N 3.18Å; E157-S160 PolarHBondContact O-N 2.87Å; E157-S160 PolarHBondContact O-OG 3.4Å; E157-E161 WeakPolarHBondContact O-CB 3.29Å; E157-E161 WeakPolarHBondContact O-CG 3.43Å; E157-E161 PolarHBondContact O-N 2.87Å; E157-S240 WeakPolarHBondContact OE1-CB 3.46Å; E157-P241 VanDerWaalsContact OE1-CD 3.31Å; E157-P241 WeakPolarHBondContact OE1-CD 3.44Å
158	E	96	Very high	97.6	Very high	49 Å²	49	55 Å²	55	23%	0.229	29%	0.285	C	S	.	.	H	α-helix	trans	-53.8	-41.9	177.7	-65.3	-73.2	172.7	0	0	112.5	P155 T162 K181 I182	P155-E158 HydrophobicContact CB-CB 4.16Å; P155-E158 HydrophobicContact CB-CG 3.94Å; P155-E158 HydrophobicContact CG-CB 4.23Å; P155-E158 HydrophobicContact CG-CG 4.28Å; P155-E158 PolarHBondContact O-N 3.07Å; E158-T162 WeakPolarHBondContact O-CB 3.26Å; E158-T162 PolarHBondContact O-N 3.41Å; E158-T162 PolarHBondContact O-OG1 3.3Å; E158-K181 VanDerWaalsContact CD-CE 3.44Å; E158-K181 WeakPolarHBondContact OE1-CE 3.36Å; E158-K181 IonicContact OE1-NZ 2.67Å; E158-K181 PolarHBondContact OE1-NZ 2.88Å; E158-K181 WeakPolarHBondContact OE2-CE 3.41Å; E158-K181 IonicContact OE2-NZ 2.73Å; E158-K181 PolarHBondContact OE2-NZ 3.07Å; E158-I182 HydrophobicContact CB-CG2 4.11Å
159	I	97.9	Very high	97.6	Very high	53 Å²	53	61.7 Å²	61.7	27%	0.272	31%	0.314	S	S	.	.	H	α-helix	trans	-66.3	-49.1	177.1	-66.9	172.3	0	0	0	110.5	V154 P155 L156 E157 A163 F178 I182	V154-I159 HydrophobicContact CB-CD1 3.75Å; V154-I159 HydrophobicContact CG2-CD1 3.41Å; V154-I159 VanDerWaalsContact CG2-CD1 3.41Å; P155-I159 PolarHBondContact O-N 3.36Å; L156-I159 PolarHBondContact O-N 3.36Å; E157-I159 VanDerWaalsContact C-N 3.25Å; E157-I159 PolarHBondContact O-N 3.18Å; I159-A163 VanDerWaalsContact O-CB 3.26Å; I159-A163 WeakPolarHBondContact O-CB 3.36Å; I159-A163 PolarHBondContact O-N 2.72Å; I159-F178 HydrophobicContact CG1-CZ 4.49Å; I159-I182 HydrophobicContact CD1-CD1 4.29Å; I159-I182 HydrophobicContact CG1-CB 4.26Å; I159-I182 HydrophobicContact CG1-CD1 4.01Å; I159-I182 HydrophobicContact CG1-CG2 3.97Å
160	S	97.2	Very high	97.5	Very high	51 Å²	51	63.1 Å²	63.1	36%	0.357	33%	0.328	S	S	.	.	H	α-helix	trans	-67.2	-42	-176	71.3	0	0	0	0	112.6	L156 E157 A163 F164	L156-S160 WeakPolarHBondContact O-CB 3.3Å; L156-S160 PolarHBondContact O-N 2.69Å; L156-S160 PolarHBondContact O-OG 3.34Å; E157-S160 PolarHBondContact O-N 2.87Å; E157-S160 PolarHBondContact O-OG 3.4Å; S160-A163 PolarHBondContact O-N 2.66Å; S160-F164 WeakPolarHBondContact O-CB 3.39Å; S160-F164 PolarHBondContact O-N 3.48Å
161	E	96.1	Very high	97.4	Very high	116 Å²	116	71.8 Å²	71.8	54%	0.542	36%	0.362	S	S	.	.	H	α-helix	trans	-65.6	-45.1	176.8	-71.4	-176.8	170.1	0	0	111.1	E157 A163 F164 L165	E157-E161 WeakPolarHBondContact O-CB 3.29Å; E157-E161 WeakPolarHBondContact O-CG 3.43Å; E157-E161 PolarHBondContact O-N 2.87Å; E161-A163 VanDerWaalsContact C-N 3.35Å; E161-A163 PolarHBondContact O-N 2.97Å; E161-F164 PolarHBondContact O-N 2.84Å; E161-L165 VanDerWaalsContact O-CB 3.28Å; E161-L165 WeakPolarHBondContact O-CB 3.24Å; E161-L165 PolarHBondContact O-N 2.86Å
162	T	97.7	Very high	97.4	Very high	19 Å²	19	78.6 Å²	78.6	12%	0.117	40%	0.398	C	S	.	.	H	α-helix	trans	-66.5	-38.5	178.2	-58.1	0	0	0	0	111.3	E158 L165 F166 V174 F178	E158-T162 WeakPolarHBondContact O-CB 3.26Å; E158-T162 PolarHBondContact O-N 3.41Å; E158-T162 PolarHBondContact O-OG1 3.3Å; T162-L165 PolarHBondContact O-N 3.42Å; T162-F166 WeakPolarHBondContact O-CB 3.47Å; T162-F166 PolarHBondContact O-N 2.91Å; T162-V174 HydrophobicContact CG2-CG1 3.94Å; T162-V174 HydrophobicContact CG2-CG2 4.28Å; T162-F178 VanDerWaalsContact CB-CE2 3.48Å; T162-F178 HydrophobicContact CG2-CD1 4.19Å; T162-F178 HydrophobicContact CG2-CD2 3.62Å; T162-F178 HydrophobicContact CG2-CE1 4.26Å; T162-F178 HydrophobicContact CG2-CE2 3.7Å; T162-F178 HydrophobicContact CG2-CG 3.87Å; T162-F178 HydrophobicContact CG2-CZ 4.01Å; T162-F178 WeakPolarHBondContact OG1-CD2 3.43Å; T162-F178 WeakPolarHBondContact OG1-CE2 3.47Å
163	A	98.3	Very high	97.3	Very high	55 Å²	55	84 Å²	84	46%	0.455	42%	0.419	S	S	.	.	H	α-helix	trans	-63.3	-42.9	174.7	0	0	0	0	0	111.7	I159 S160 E161 F166 K167	I159-A163 VanDerWaalsContact O-CB 3.26Å; I159-A163 WeakPolarHBondContact O-CB 3.36Å; I159-A163 PolarHBondContact O-N 2.72Å; S160-A163 PolarHBondContact O-N 2.66Å; E161-A163 VanDerWaalsContact C-N 3.35Å; E161-A163 PolarHBondContact O-N 2.97Å; A163-F166 PolarHBondContact O-N 3.32Å; A163-K167 WeakPolarHBondContact O-CB 3.46Å; A163-K167 PolarHBondContact O-N 2.7Å
164	F	97.7	Very high	97.3	Very high	138 Å²	138	84.2 Å²	84.2	61%	0.605	42%	0.422	S	S	*	.	H	α-helix	trans	-63	-44.3	174.3	180	-99.2	0	0	0	111.7	S160 E161 F166 K167 T168	S160-F164 WeakPolarHBondContact O-CB 3.39Å; S160-F164 PolarHBondContact O-N 3.48Å; E161-F164 PolarHBondContact O-N 2.84Å; F164-F166 PolarHBondContact O-N 2.78Å; F164-K167 PolarHBondContact O-N 3.5Å; F164-T168 HydrophobicContact CD1-CG2 4.39Å; F164-T168 HydrophobicContact CD2-CG2 4.18Å; F164-T168 HydrophobicContact CE1-CG2 4.02Å; F164-T168 HydrophobicContact CE2-CG2 3.79Å; F164-T168 HydrophobicContact CG-CG2 4.47Å; F164-T168 HydrophobicContact CZ-CG2 3.71Å; F164-T168 WeakPolarHBondContact O-CB 3.29Å; F164-T168 WeakPolarHBondContact O-CG2 3.45Å; F164-T168 PolarHBondContact O-N 3.36Å; F164-T168 PolarHBondContact O-OG1 2.9Å
165	L	97.5	Very high	97.3	Very high	50 Å²	50	84.2 Å²	84.2	26%	0.262	43%	0.425	S	S	.	.	H	α-helix	trans	-61.7	-43	177.3	-175.3	64.6	0	0	0	111.9	E161 T162 T168 K169 K173	E161-L165 VanDerWaalsContact O-CB 3.28Å; E161-L165 WeakPolarHBondContact O-CB 3.24Å; E161-L165 PolarHBondContact O-N 2.86Å; T162-L165 PolarHBondContact O-N 3.42Å; L165-T168 PolarHBondContact O-N 2.97Å; L165-T168 PolarHBondContact O-OG1 3.36Å; L165-K169 HydrophobicContact CD1-CB 4.2Å; L165-K169 HydrophobicContact CD1-CD 3.54Å; L165-K169 HydrophobicContact CD1-CG 3.94Å; L165-K169 WeakPolarHBondContact O-CA 3.39Å; L165-K169 WeakPolarHBondContact O-CB 3.29Å; L165-K169 PolarHBondContact O-N 3.09Å; L165-K173 HydrophobicContact CD1-CB 4.08Å; L165-K173 HydrophobicContact CD2-CB 4Å; L165-K173 VanDerWaalsContact CD2-O 3.22Å; L165-K173 WeakPolarHBondContact CD2-O 3.4Å; L165-K173 HydrophobicContact CG-CB 3.79Å
166	F	98.3	Very high	97.3	Very high	110 Å²	110	89.3 Å²	89.3	48%	0.482	46%	0.458	S	S	.	.	H	α-helix	trans	-61.4	-47	175.2	174.2	-109.6	0	0	0	111.5	T162 A163 F164 T168 G170 V174	T162-F166 WeakPolarHBondContact O-CB 3.47Å; T162-F166 PolarHBondContact O-N 2.91Å; A163-F166 PolarHBondContact O-N 3.32Å; F164-F166 PolarHBondContact O-N 2.78Å; F166-T168 VanDerWaalsContact C-N 3.34Å; F166-T168 PolarHBondContact O-N 2.83Å; F166-G170 WeakPolarHBondContact O-CA 3.12Å; F166-G170 PolarHBondContact O-N 3.26Å; F166-V174 HydrophobicContact CB-CG2 3.97Å; F166-V174 HydrophobicContact CD2-CG2 3.89Å; F166-V174 HydrophobicContact CG-CG2 4.34Å
167	K	98.4	Very high	97.3	Very high	184 Å²	184	92 Å²	92	80%	0.8	47%	0.467	S	S	*	.	H	α-helix	trans	-64.7	-36.5	180	-174.4	175.4	-179.8	179.9	0	112.8	A163 F164	A163-K167 WeakPolarHBondContact O-CB 3.46Å; A163-K167 PolarHBondContact O-N 2.7Å; F164-K167 PolarHBondContact O-N 3.5Å
168	T	98.3	Very high	97.5	Very high	73 Å²	73	90.1 Å²	90.1	45%	0.448	46%	0.458	S	S	.	.	H	α-helix	trans	-94.3	-31.1	-173	55.3	0	0	0	0	114	F164 L165 F166	F164-T168 HydrophobicContact CD1-CG2 4.39Å; F164-T168 HydrophobicContact CD2-CG2 4.18Å; F164-T168 HydrophobicContact CE1-CG2 4.02Å; F164-T168 HydrophobicContact CE2-CG2 3.79Å; F164-T168 HydrophobicContact CG-CG2 4.47Å; F164-T168 HydrophobicContact CZ-CG2 3.71Å; F164-T168 WeakPolarHBondContact O-CB 3.29Å; F164-T168 WeakPolarHBondContact O-CG2 3.45Å; F164-T168 PolarHBondContact O-N 3.36Å; F164-T168 PolarHBondContact O-OG1 2.9Å; L165-T168 PolarHBondContact O-N 2.97Å; L165-T168 PolarHBondContact O-OG1 3.36Å; F166-T168 VanDerWaalsContact C-N 3.34Å; F166-T168 PolarHBondContact O-N 2.83Å
169	K	97.9	Very high	97.6	Very high	142 Å²	142	91.9 Å²	91.9	62%	0.617	47%	0.471	S	S	*	.	H	α-helix	trans	-123.1	-2.7	-174.8	-51.4	-166.7	-166.7	171.2	0	114.3	L165 K173	L165-K169 HydrophobicContact CD1-CB 4.2Å; L165-K169 HydrophobicContact CD1-CD 3.54Å; L165-K169 HydrophobicContact CD1-CG 3.94Å; L165-K169 WeakPolarHBondContact O-CA 3.39Å; L165-K169 WeakPolarHBondContact O-CB 3.29Å; L165-K169 PolarHBondContact O-N 3.09Å; K169-K173 HydrophobicContact CB-CB 4.13Å; K169-K173 HydrophobicContact CB-CG 3.6Å; K169-K173 HydrophobicContact CD-CG 4.36Å
170	G	97.6	Very high	97.6	Very high	29 Å²	29	91.8 Å²	91.8	30%	0.299	47%	0.474	S	S	.	.			trans	82.4	179.8	173.9	0	0	0	0	0	115.2	F166 N172 K173	F166-G170 WeakPolarHBondContact O-CA 3.12Å; F166-G170 PolarHBondContact O-N 3.26Å; G170-N172 PolarHBondContact O-N 2.77Å; G170-K173 PolarHBondContact O-N 2.98Å
171	Y	97.8	Very high	97.7	Very high	183 Å²	183	90.8 Å²	90.8	72%	0.718	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-51.6	-46.6	-172.4	172.8	-103.5	0	0	0	114.6	K173 V174	Y171-K173 PolarHBondContact O-N 2.75Å; Y171-V174 PolarHBondContact O-N 2.99Å
172	N	97.7	Very high	97.7	Very high	144 Å²	144	86.5 Å²	86.5	77%	0.77	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-65.9	-6.7	-173.7	-67.3	-26.4	0	0	0	114.7	G170	G170-N172 PolarHBondContact O-N 2.77Å
173	K	96.8	Very high	97.8	Very high	125 Å²	125	89.2 Å²	89.2	54%	0.543	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-96.7	-8.6	175.8	-64.8	-54	-174.1	-177.2	0	113.8	L165 K169 G170 Y171 S175	L165-K173 HydrophobicContact CD1-CB 4.08Å; L165-K173 HydrophobicContact CD2-CB 4Å; L165-K173 VanDerWaalsContact CD2-O 3.22Å; L165-K173 WeakPolarHBondContact CD2-O 3.4Å; L165-K173 HydrophobicContact CG-CB 3.79Å; K169-K173 HydrophobicContact CB-CB 4.13Å; K169-K173 HydrophobicContact CB-CG 3.6Å; K169-K173 HydrophobicContact CD-CG 4.36Å; G170-K173 PolarHBondContact O-N 2.98Å; Y171-K173 PolarHBondContact O-N 2.75Å; K173-S175 PolarHBondContact O-N 3.47Å
174	V	97.7	Very high	97.8	Very high	43 Å²	43	88.1 Å²	88.1	26%	0.261	45%	0.445	S	S	.	.	S	Bend	trans	-71.8	126.2	172.8	-179.1	0	0	0	0	108.8	T162 F166 Y171 F178	T162-V174 HydrophobicContact CG2-CG1 3.94Å; T162-V174 HydrophobicContact CG2-CG2 4.28Å; F166-V174 HydrophobicContact CB-CG2 3.97Å; F166-V174 HydrophobicContact CD2-CG2 3.89Å; F166-V174 HydrophobicContact CG-CG2 4.34Å; Y171-V174 PolarHBondContact O-N 2.99Å; V174-F178 HydrophobicContact CG1-CB 4.02Å; V174-F178 HydrophobicContact CG1-CD1 4.21Å; V174-F178 HydrophobicContact CG1-CG 4.29Å
175	S	96.9	Very high	97.8	Very high	52 Å²	52	85 Å²	85	36%	0.364	43%	0.434	S	S	.	.			trans	-62.9	136.9	177.5	177.7	0	0	0	0	110.6	K173 F177 F178	K173-S175 PolarHBondContact O-N 3.47Å; S175-F177 PolarHBondContact O-N 2.89Å; S175-F177 VanDerWaalsContact O-N 3.14Å; S175-F177 PolarHBondContact OG-N 2.66Å; S175-F177 VanDerWaalsContact OG-N 3.17Å; S175-F178 WeakPolarHBondContact O-CB 3.41Å; S175-F178 PolarHBondContact O-N 3.47Å
176	P	97	Very high	97.9	Very high	123 Å²	123	84.1 Å²	84.1	80%	0.799	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-24.3	169.9	-23.7	34	0	0	0	113.1	F178	P176-F178 VanDerWaalsContact C-N 3.32Å
177	F	97.2	Very high	97.9	Very high	112 Å²	112	78.9 Å²	78.9	49%	0.491	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-4.2	176.8	-60.7	-68.4	0	0	0	113.5	S175 V179 P180 K181	S175-F177 PolarHBondContact O-N 2.89Å; S175-F177 VanDerWaalsContact O-N 3.14Å; S175-F177 PolarHBondContact OG-N 2.66Å; S175-F177 VanDerWaalsContact OG-N 3.17Å; F177-V179 PolarHBondContact O-N 3.31Å; F177-P180 WeakPolarHBondContact O-CD 3.4Å; F177-K181 WeakPolarHBondContact O-CB 3.41Å; F177-K181 PolarHBondContact O-N 2.89Å
178	F	98	Very high	97.9	Very high	42 Å²	42	70.1 Å²	70.1	18%	0.184	37%	0.368	C	S	.	.	H	α-helix	trans	-53.2	-52.6	-174.2	172.8	-118	0	0	0	112.5	I159 T162 V174 S175 P176 K181 I182	I159-F178 HydrophobicContact CG1-CZ 4.49Å; T162-F178 VanDerWaalsContact CB-CE2 3.48Å; T162-F178 HydrophobicContact CG2-CD1 4.19Å; T162-F178 HydrophobicContact CG2-CD2 3.62Å; T162-F178 HydrophobicContact CG2-CE1 4.26Å; T162-F178 HydrophobicContact CG2-CE2 3.7Å; T162-F178 HydrophobicContact CG2-CG 3.87Å; T162-F178 HydrophobicContact CG2-CZ 4.01Å; T162-F178 WeakPolarHBondContact OG1-CD2 3.43Å; T162-F178 WeakPolarHBondContact OG1-CE2 3.47Å; V174-F178 HydrophobicContact CG1-CB 4.02Å; V174-F178 HydrophobicContact CG1-CD1 4.21Å; V174-F178 HydrophobicContact CG1-CG 4.29Å; S175-F178 WeakPolarHBondContact O-CB 3.41Å; S175-F178 PolarHBondContact O-N 3.47Å; P176-F178 VanDerWaalsContact C-N 3.32Å; F178-K181 WeakPolarHBondContact O-CB 3.46Å; F178-K181 PolarHBondContact O-N 3.48Å; F178-I182 HydrophobicContact CD2-CG2 3.98Å; F178-I182 HydrophobicContact CE1-CD1 3.92Å; F178-I182 HydrophobicContact CE2-CD1 4Å; F178-I182 HydrophobicContact CE2-CG2 3.72Å; F178-I182 HydrophobicContact CZ-CD1 3.63Å; F178-I182 HydrophobicContact CZ-CG2 4.43Å; F178-I182 WeakPolarHBondContact O-CG1 3.46Å; F178-I182 WeakPolarHBondContact O-CG2 3.31Å; F178-I182 PolarHBondContact O-N 3.49Å
179	V	98.3	Very high	97.9	Very high	85 Å²	85	67 Å²	67	52%	0.515	35%	0.352	S	S	.	.	H	α-helix	trans	-63.9	-53.5	-178.8	173.5	0	0	0	0	111.5	F177 K181 I182 L183	F177-V179 PolarHBondContact O-N 3.31Å; V179-K181 PolarHBondContact O-N 3.24Å; V179-K181 VanDerWaalsContact O-N 3.13Å; V179-I182 PolarHBondContact O-N 2.95Å; V179-L183 HydrophobicContact CG1-CD1 3.92Å; V179-L183 HydrophobicContact CG1-CG 4.23Å; V179-L183 WeakPolarHBondContact O-CG 3.25Å; V179-L183 PolarHBondContact O-N 3.03Å
180	P	97.8	Very high	98	Very high	51 Å²	51	62 Å²	62	33%	0.331	33%	0.33	S	S	.	.	H	α-helix	trans	-58.9	-22.1	173.7	-25.1	33.5	0	0	0	115.1	F177 M186	F177-P180 WeakPolarHBondContact O-CD 3.4Å; P180-M186 HydrophobicContact CB-CE 4.17Å; P180-M186 WeakPolarHBondContact O-CB 3.46Å; P180-M186 WeakPolarHBondContact O-CG 3.4Å
181	K	97.8	Very high	98	Very high	30 Å²	30	60.6 Å²	60.6	13%	0.13	32%	0.316	C	S	.	.	H	α-helix	trans	-78.4	-32.8	179.4	-168.7	176.9	-173.4	-165.3	0	112.5	M114 S115 E158 F177 F178 V179	M114-K181 WeakPolarHBondContact O-CE 3.42Å; S115-K181 WeakPolarHBondContact CB-O 3.39Å; E158-K181 VanDerWaalsContact CD-CE 3.44Å; E158-K181 WeakPolarHBondContact OE1-CE 3.36Å; E158-K181 IonicContact OE1-NZ 2.67Å; E158-K181 PolarHBondContact OE1-NZ 2.88Å; E158-K181 WeakPolarHBondContact OE2-CE 3.41Å; E158-K181 IonicContact OE2-NZ 2.73Å; E158-K181 PolarHBondContact OE2-NZ 3.07Å; F177-K181 WeakPolarHBondContact O-CB 3.41Å; F177-K181 PolarHBondContact O-N 2.89Å; F178-K181 WeakPolarHBondContact O-CB 3.46Å; F178-K181 PolarHBondContact O-N 3.48Å; V179-K181 PolarHBondContact O-N 3.24Å; V179-K181 VanDerWaalsContact O-N 3.13Å
182	I	97.9	Very high	98.1	Very high	27 Å²	27	52.8 Å²	52.8	14%	0.138	29%	0.288	C	S	.	.	H	α-helix	trans	-99.3	-13.3	-172.5	69	171.1	0	0	0	114.8	P155 E158 I159 F178 V179	P155-I182 HydrophobicContact CG-CB 4.07Å; P155-I182 HydrophobicContact CG-CG2 3.98Å; E158-I182 HydrophobicContact CB-CG2 4.11Å; I159-I182 HydrophobicContact CD1-CD1 4.29Å; I159-I182 HydrophobicContact CG1-CB 4.26Å; I159-I182 HydrophobicContact CG1-CD1 4.01Å; I159-I182 HydrophobicContact CG1-CG2 3.97Å; F178-I182 HydrophobicContact CD2-CG2 3.98Å; F178-I182 HydrophobicContact CE1-CD1 3.92Å; F178-I182 HydrophobicContact CE2-CD1 4Å; F178-I182 HydrophobicContact CE2-CG2 3.72Å; F178-I182 HydrophobicContact CZ-CD1 3.63Å; F178-I182 HydrophobicContact CZ-CG2 4.43Å; F178-I182 WeakPolarHBondContact O-CG1 3.46Å; F178-I182 WeakPolarHBondContact O-CG2 3.31Å; F178-I182 PolarHBondContact O-N 3.49Å; V179-I182 PolarHBondContact O-N 2.95Å
183	L	98.6	Very high	98.1	Very high	76 Å²	76	50.8 Å²	50.8	40%	0.398	28%	0.276	S	S	.	.			trans	-69.6	132.7	-177.6	-76.9	173	0	0	0	111.6	V179 N185 M186	V179-L183 HydrophobicContact CG1-CD1 3.92Å; V179-L183 HydrophobicContact CG1-CG 4.23Å; V179-L183 WeakPolarHBondContact O-CG 3.25Å; V179-L183 PolarHBondContact O-N 3.03Å; L183-N185 VanDerWaalsContact C-N 3.29Å; L183-N185 PolarHBondContact O-N 2.77Å; L183-M186 HydrophobicContact CB-CG 3.62Å; L183-M186 WeakPolarHBondContact O-CB 3.14Å; L183-M186 PolarHBondContact O-N 3.18Å; L183-M186 VanDerWaalsContact O-N 3.13Å
184	V	98.4	Very high	98.2	Very high	31 Å²	31	48.6 Å²	48.6	19%	0.188	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-43	-177.6	170.1	0	0	0	0	112.9	M151 V154 M186	M151-V184 HydrophobicContact CB-CG1 3.97Å; M151-V184 HydrophobicContact CE-CB 4.38Å; M151-V184 HydrophobicContact CE-CG2 4.26Å; M151-V184 WeakPolarHBondContact O-CG1 3.4Å; V154-V184 HydrophobicContact CG1-CG2 3.92Å; V184-M186 PolarHBondContact O-N 3.05Å
185	N	98.6	Very high	98.2	Very high	72 Å²	72	48.5 Å²	48.5	39%	0.385	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-5.2	-174.8	71.4	-65.3	0	0	0	114	L183 A187 A188 G189 A203	L183-N185 VanDerWaalsContact C-N 3.29Å; L183-N185 PolarHBondContact O-N 2.77Å; N185-A187 VanDerWaalsContact C-N 3.29Å; N185-A187 PolarHBondContact O-N 2.74Å; N185-A188 PolarHBondContact O-N 2.91Å; N185-G189 PolarHBondContact O-N 3.19Å; N185-A203 VanDerWaalsContact CA-CB 3.49Å; N185-A203 HydrophobicContact CB-CB 3.57Å
186	M	98.6	Very high	98.3	Very high	32 Å²	32	50 Å²	50	16%	0.158	26%	0.264	C	S	.	.	H	α-helix	trans	-74.3	-20.4	-173.2	-69.3	-67.3	-50.3	0	0	113.1	P180 L183 V184 G189 Q190	P180-M186 HydrophobicContact CB-CE 4.17Å; P180-M186 WeakPolarHBondContact O-CB 3.46Å; P180-M186 WeakPolarHBondContact O-CG 3.4Å; L183-M186 HydrophobicContact CB-CG 3.62Å; L183-M186 WeakPolarHBondContact O-CB 3.14Å; L183-M186 PolarHBondContact O-N 3.18Å; L183-M186 VanDerWaalsContact O-N 3.13Å; V184-M186 PolarHBondContact O-N 3.05Å; M186-G189 PolarHBondContact O-N 3.37Å; M186-Q190 HydrophobicContact CE-CG 4.26Å; M186-Q190 WeakPolarHBondContact O-CB 3.26Å; M186-Q190 WeakPolarHBondContact O-CG 3.29Å; M186-Q190 PolarHBondContact O-N 2.95Å
187	A	98.7	Very high	98.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-58.4	-52.8	166.4	0	0	0	0	0	111.2	A121 I149 N185 I191 T235	A121-A187 HydrophobicContact CB-CB 3.94Å; I149-A187 HydrophobicContact CB-CB 4.41Å; I149-A187 HydrophobicContact CG2-CB 3.81Å; N185-A187 VanDerWaalsContact C-N 3.29Å; N185-A187 PolarHBondContact O-N 2.74Å; A187-I191 WeakPolarHBondContact O-CD1 3.37Å; A187-I191 WeakPolarHBondContact O-CG1 3.22Å; A187-I191 PolarHBondContact O-N 2.93Å; A187-T235 HydrophobicContact CB-CG2 3.86Å
188	A	98.9	Very high	98.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.4	-42.8	176.1	0	0	0	0	0	112.1	V147 I149 N185 I191 S192 H202 A203	V147-A188 HydrophobicContact CG1-CB 3.84Å; I149-A188 HydrophobicContact CB-CB 4.14Å; N185-A188 PolarHBondContact O-N 2.91Å; A188-I191 PolarHBondContact O-N 3.46Å; A188-S192 WeakPolarHBondContact O-CB 3.23Å; A188-S192 PolarHBondContact O-N 2.83Å; A188-H202 WeakPolarHBondContact CB-O 3.4Å; A188-A203 HydrophobicContact CB-CB 4.49Å
189	G	98.8	Very high	98.5	Very high	9 Å²	9	42.3 Å²	42.3	9%	0.093	22%	0.222	C	C	.	.	H	α-helix	trans	-58.1	-49.3	177.8	0	0	0	0	0	113.4	N185 M186 S192 I193	N185-G189 PolarHBondContact O-N 3.19Å; M186-G189 PolarHBondContact O-N 3.37Å; G189-S192 PolarHBondContact O-N 2.9Å; G189-I193 WeakPolarHBondContact O-CD1 3.48Å; G189-I193 VanDerWaalsContact O-CG1 3.27Å; G189-I193 WeakPolarHBondContact O-CG1 3.4Å; G189-I193 PolarHBondContact O-N 3.36Å
190	Q	98.8	Very high	98.5	Very high	35 Å²	35	39.7 Å²	39.7	16%	0.164	21%	0.207	C	C	.	.	H	α-helix	trans	-68	-37.3	-178.9	-66.4	-67.2	1.8	0	0	112.4	M114 T118 I122 M186 I193 K194	M114-Q190 HydrophobicContact CE-CB 4.48Å; M114-Q190 HydrophobicContact CE-CG 4.1Å; M114-Q190 HydrophobicContact CG-CG 4.46Å; M114-Q190 HydrophobicContact SD-CG 4.37Å; T118-Q190 HydrophobicContact CG2-CB 4.03Å; T118-Q190 HydrophobicContact CG2-CG 3.75Å; I122-Q190 HydrophobicContact CD1-CB 3.93Å; I122-Q190 HydrophobicContact CG1-CB 4.42Å; M186-Q190 HydrophobicContact CE-CG 4.26Å; M186-Q190 WeakPolarHBondContact O-CB 3.26Å; M186-Q190 WeakPolarHBondContact O-CG 3.29Å; M186-Q190 PolarHBondContact O-N 2.95Å; Q190-I193 PolarHBondContact O-N 3.44Å; Q190-K194 VanDerWaalsContact O-CB 3.28Å; Q190-K194 WeakPolarHBondContact O-CB 3.41Å; Q190-K194 PolarHBondContact O-N 3.38Å
191	I	98.8	Very high	98.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.6	-46.6	173.8	-69.7	163.7	0	0	0	110.3	A121 I122 A125 V147 I149 A187 A188 I193 K194 Y195 L197 L231	A121-I191 HydrophobicContact CB-CD1 4.03Å; I122-I191 HydrophobicContact CG1-CG1 3.98Å; A125-I191 HydrophobicContact CB-CD1 3.8Å; A125-I191 HydrophobicContact CB-CG1 3.97Å; A125-I191 HydrophobicContact CB-CG2 4.03Å; V147-I191 HydrophobicContact CG1-CB 4.19Å; V147-I191 HydrophobicContact CG1-CG2 3.95Å; V147-I191 HydrophobicContact CG2-CG2 3.97Å; I149-I191 HydrophobicContact CG1-CD1 3.75Å; A187-I191 WeakPolarHBondContact O-CD1 3.37Å; A187-I191 WeakPolarHBondContact O-CG1 3.22Å; A187-I191 PolarHBondContact O-N 2.93Å; A188-I191 PolarHBondContact O-N 3.46Å; I191-I193 VanDerWaalsContact C-N 3.35Å; I191-I193 PolarHBondContact O-N 2.87Å; I191-K194 PolarHBondContact O-N 3.29Å; I191-Y195 HydrophobicContact CG2-CD2 3.87Å; I191-Y195 HydrophobicContact CG2-CE2 4.28Å; I191-Y195 VanDerWaalsContact O-CD2 3.29Å; I191-Y195 WeakPolarHBondContact O-CD2 3.25Å; I191-Y195 PolarHBondContact O-N 3.17Å; I191-L197 HydrophobicContact CG2-CD1 4.49Å; I191-L231 HydrophobicContact CG2-CD2 3.65Å
192	S	98.9	Very high	98.6	Very high	20 Å²	20	42.7 Å²	42.7	14%	0.14	22%	0.219	C	C	.	.	H	α-helix	trans	-57.5	-45.9	176.2	164.3	0	0	0	0	111.7	A188 G189 Q196 L197 N201	A188-S192 WeakPolarHBondContact O-CB 3.23Å; A188-S192 PolarHBondContact O-N 2.83Å; G189-S192 PolarHBondContact O-N 2.9Å; S192-Q196 VanDerWaalsContact O-CA 3.32Å; S192-Q196 WeakPolarHBondContact O-CA 3.47Å; S192-Q196 PolarHBondContact O-N 2.95Å; S192-L197 PolarHBondContact O-N 2.71Å; S192-L197 PolarHBondContact OG-O 3.47Å; S192-N201 WeakPolarHBondContact CB-ND2 3.44Å; S192-N201 PolarHBondContact OG-ND2 3.33Å
193	I	98.6	Very high	98.7	Very high	102 Å²	102	42.9 Å²	42.9	52%	0.523	23%	0.225	S	C	.	.	H	α-helix	trans	-62.7	-49	177	-69.1	163.3	0	0	0	111	G189 Q190 I191 Y195 Q196	G189-I193 WeakPolarHBondContact O-CD1 3.48Å; G189-I193 VanDerWaalsContact O-CG1 3.27Å; G189-I193 WeakPolarHBondContact O-CG1 3.4Å; G189-I193 PolarHBondContact O-N 3.36Å; Q190-I193 PolarHBondContact O-N 3.44Å; I191-I193 VanDerWaalsContact C-N 3.35Å; I191-I193 PolarHBondContact O-N 2.87Å; I193-Y195 PolarHBondContact O-N 3.18Å; I193-Q196 PolarHBondContact O-NE2 3.46Å
194	K	98.3	Very high	98.7	Very high	79 Å²	79	40 Å²	40	34%	0.343	21%	0.211	S	C	.	.	H	α-helix	trans	-64	-43	-175	-174.8	175.7	174.7	-169.8	0	112.3	F105 I122 E126 Q190 I191	F105-K194 PolarHBondContact O-NZ 2.95Å; I122-K194 HydrophobicContact CG2-CD 3.72Å; E126-K194 IonicContact OE2-NZ 2.65Å; E126-K194 PolarHBondContact OE2-NZ 3.14Å; Q190-K194 VanDerWaalsContact O-CB 3.28Å; Q190-K194 WeakPolarHBondContact O-CB 3.41Å; Q190-K194 PolarHBondContact O-N 3.38Å; I191-K194 PolarHBondContact O-N 3.29Å
195	Y	98.3	Very high	98.7	Very high	40 Å²	40	41.5 Å²	41.5	16%	0.157	22%	0.222	C	C	.	.	H	α-helix	trans	-101	7.3	-175.7	-57.8	-71	0	0	0	114	A125 E126 I129 I191 I193 L197	A125-Y195 HydrophobicContact CB-CE2 4.26Å; E126-Y195 WeakPolarHBondContact CA-OH 3.4Å; E126-Y195 WeakPolarHBondContact CB-OH 3.5Å; E126-Y195 WeakPolarHBondContact CG-OH 3.46Å; E126-Y195 PolarHBondContact OE2-OH 2.95Å; I129-Y195 HydrophobicContact CD1-CD1 3.6Å; I129-Y195 HydrophobicContact CD1-CD2 3.73Å; I129-Y195 HydrophobicContact CD1-CE1 3.83Å; I129-Y195 HydrophobicContact CD1-CE2 3.96Å; I129-Y195 HydrophobicContact CD1-CG 3.56Å; I191-Y195 HydrophobicContact CG2-CD2 3.87Å; I191-Y195 HydrophobicContact CG2-CE2 4.28Å; I191-Y195 VanDerWaalsContact O-CD2 3.29Å; I191-Y195 WeakPolarHBondContact O-CD2 3.25Å; I191-Y195 PolarHBondContact O-N 3.17Å; I193-Y195 PolarHBondContact O-N 3.18Å; Y195-L197 VanDerWaalsContact C-N 3.31Å; Y195-L197 WeakPolarHBondContact O-CD2 3.33Å; Y195-L197 PolarHBondContact O-N 2.91Å
196	Q	98.4	Very high	98.7	Very high	85 Å²	85	39.8 Å²	39.8	40%	0.397	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	40.3	177.8	-59.7	-67.5	-52.8	0	0	113.5	R142 S192 I193	R142-Q196 VanDerWaalsContact CB-O 3.29Å; R142-Q196 WeakPolarHBondContact CB-O 3.31Å; R142-Q196 VanDerWaalsContact CG-O 3.23Å; R142-Q196 WeakPolarHBondContact CG-O 3.24Å; S192-Q196 VanDerWaalsContact O-CA 3.32Å; S192-Q196 WeakPolarHBondContact O-CA 3.47Å; S192-Q196 PolarHBondContact O-N 2.95Å; I193-Q196 PolarHBondContact O-NE2 3.46Å
197	L	98.8	Very high	98.7	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	22%	0.219	C	C	.	.			trans	-90.5	113.4	-179.3	-50.2	177.9	0	0	0	109.1	W134 P136 A145 V147 I191 S192 Y195 L231	W134-L197 HydrophobicContact CH2-CD2 3.83Å; W134-L197 HydrophobicContact CZ3-CD2 3.86Å; P136-L197 HydrophobicContact CG-CD2 4.23Å; A145-L197 HydrophobicContact CB-CD2 3.83Å; A145-L197 CarbonylContact O-C 3.58Å; V147-L197 HydrophobicContact CG2-CB 3.93Å; V147-L197 HydrophobicContact CG2-CD1 3.44Å; V147-L197 VanDerWaalsContact CG2-CD1 3.44Å; V147-L197 HydrophobicContact CG2-CG 4.28Å; I191-L197 HydrophobicContact CG2-CD1 4.49Å; S192-L197 PolarHBondContact O-N 2.71Å; S192-L197 PolarHBondContact OG-O 3.47Å; Y195-L197 VanDerWaalsContact C-N 3.31Å; Y195-L197 WeakPolarHBondContact O-CD2 3.33Å; Y195-L197 PolarHBondContact O-N 2.91Å; L197-L231 HydrophobicContact CD1-CD1 4.03Å; L197-L231 HydrophobicContact CD1-CD2 4.07Å; L197-L231 HydrophobicContact CD1-CG 4.5Å
198	K	98.8	Very high	98.7	Very high	95 Å²	95	40.3 Å²	40.3	41%	0.413	22%	0.223	S	C	.	.			trans	-111.6	0.6	-168.7	-63.3	176.1	175.7	172.4	0	113.7	E139 R142 L143 A145	E139-K198 IonicContact OE1-NZ 3.29Å; E139-K198 PolarHBondContact OE1-NZ 3.33Å; E139-K198 IonicContact OE2-NZ 3.33Å; E139-K198 PolarHBondContact OE2-NZ 2.92Å; R142-K198 HydrophobicContact CB-CD 4.16Å; R142-K198 HydrophobicContact CB-CG 4.34Å; R142-K198 CarbonylContact O-C 3.41Å; R142-K198 WeakPolarHBondContact O-CA 3.22Å; R142-K198 WeakPolarHBondContact O-CB 3.11Å; R142-K198 PolarHBondContact O-N 2.9Å; L143-K198 HydrophobicContact CD2-CB 4.1Å; L143-K198 HydrophobicContact CD2-CD 4.27Å; A145-K198 PolarHBondContact O-N 2.95Å
199	G	98.8	Very high	98.7	Very high	17 Å²	17	40.3 Å²	40.3	18%	0.175	22%	0.223	C	C	.	.	S	Bend	trans	-72	-157.4	171	0	0	0	0	0	112.6	R142 L143 A145 N201	R142-G199 PolarHBondContact O-N 2.91Å; L143-G199 WeakPolarHBondContact O-CA 3.23Å; A145-G199 WeakPolarHBondContact O-CA 3.41Å; A145-G199 PolarHBondContact O-N 2.84Å; G199-N201 PolarHBondContact O-N 3.19Å; G199-N201 VanDerWaalsContact O-N 3.14Å
200	P	98.9	Very high	98.7	Very high	31 Å²	31	39.9 Å²	39.9	20%	0.201	22%	0.218	C	C	.	.			trans	-52.2	120.6	178.5	-26.7	35.2	0	0	0	112.1	G146 V147 F221 D226 A227 M230	G146-P200 CarbonylContact C-O 3.59Å; G146-P200 WeakPolarHBondContact CA-O 3.4Å; V147-P200 PolarHBondContact N-O 3.46Å; P200-F221 HydrophobicContact CB-CD2 4.36Å; P200-F221 HydrophobicContact CB-CG 4.47Å; P200-D226 HydrophobicContact CG-CB 4.09Å; P200-A227 HydrophobicContact CG-CB 4.19Å; P200-M230 HydrophobicContact CB-CE 4.36Å; P200-M230 HydrophobicContact CB-SD 4.27Å; P200-M230 HydrophobicContact CG-SD 4.4Å
201	N	98.9	Very high	98.7	Very high	80 Å²	80	38.2 Å²	38.2	43%	0.428	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	104.8	174.6	-173.7	-20.3	0	0	0	108.7	V147 S192 G199	V147-N201 WeakPolarHBondContact O-CA 3.47Å; S192-N201 WeakPolarHBondContact CB-ND2 3.44Å; S192-N201 PolarHBondContact OG-ND2 3.33Å; G199-N201 PolarHBondContact O-N 3.19Å; G199-N201 VanDerWaalsContact O-N 3.14Å
202	H	98.9	Very high	98.7	Very high	64 Å²	64	38.2 Å²	38.2	30%	0.296	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	150.9	-167.5	-171.8	-117.3	0	0	0	111.2	V147 A148 I149 A188 V204 D217 F221	V147-H202 PolarHBondContact O-N 3.49Å; A148-H202 VanDerWaalsContact CA-O 3.28Å; A148-H202 WeakPolarHBondContact CA-O 3.32Å; A148-H202 HydrophobicContact CB-CB 4.13Å; I149-H202 PolarHBondContact N-O 2.89Å; A188-H202 WeakPolarHBondContact CB-O 3.4Å; H202-V204 WeakPolarHBondContact CE1-CG1 3.3Å; H202-D217 IonicContact CE1-OD2 3.99Å; H202-D217 PolarHBondContact CE1-OD2 2.86Å; H202-F221 HydrophobicContact CB-CE2 4.14Å
203	A	98.8	Very high	98.7	Very high	30 Å²	30	37.9 Å²	37.9	25%	0.248	21%	0.207	C	C	.	.			trans	-149.2	121.7	173.6	0	0	0	0	0	109.9	I149 N185 A188	I149-A203 WeakPolarHBondContact O-CB 3.19Å; N185-A203 VanDerWaalsContact CA-CB 3.49Å; N185-A203 HydrophobicContact CB-CB 3.57Å; A188-A203 HydrophobicContact CB-CB 4.49Å
204	V	98.8	Very high	98.7	Very high	17 Å²	17	33 Å²	33	10%	0.103	18%	0.182	C	C	.	.			trans	-96.6	154	173.8	-65.2	0	0	0	0	110.6	G150 M151 H202 T210 H213 A214 D217	G150-V204 WeakPolarHBondContact CA-O 3.33Å; M151-V204 PolarHBondContact N-O 3.26Å; H202-V204 WeakPolarHBondContact CE1-CG1 3.3Å; V204-T210 HydrophobicContact CG2-CG2 4.21Å; V204-T210 VanDerWaalsContact CG2-O 3.3Å; V204-T210 WeakPolarHBondContact CG2-O 3.41Å; V204-T210 WeakPolarHBondContact O-CG2 3.48Å; V204-H213 HydrophobicContact CG2-CB 3.98Å; V204-A214 HydrophobicContact CG2-CB 3.89Å; V204-D217 WeakPolarHBondContact CG1-OD2 3.19Å
205	S	98.7	Very high	98.7	Very high	62 Å²	62	29.2 Å²	29.2	43%	0.434	17%	0.166	S	C	.	.			trans	-141.3	98.3	171.6	-162.5	0	0	0	0	108.6	M151 G152	M151-S205 WeakPolarHBondContact O-CB 3.23Å; M151-S205 PolarHBondContact O-OG 3.49Å; G152-S205 PolarHBondContact O-OG 3.07Å
206	T	98.7	Very high	98.8	Very high	36 Å²	36	27.3 Å²	27.3	22%	0.221	16%	0.158	C	C	.	.			trans	-135.6	44.7	-172.8	46.8	0	0	0	0	110.1	C208 T209 T210 H213 T451	T206-C208 PolarHBondContact O-N 3Å; T206-T209 WeakPolarHBondContact O-CB 3.35Å; T206-T209 PolarHBondContact O-N 2.98Å; T206-T210 PolarHBondContact N-OG1 3.09Å; T206-T210 VanDerWaalsContact OG1-CA 3.3Å; T206-T210 WeakPolarHBondContact OG1-CA 3.49Å; T206-T210 PolarHBondContact OG1-N 3.45Å; T206-H213 WeakPolarHBondContact CB-ND1 3.46Å; T206-H213 PolarHBondContact OG1-ND1 2.86Å; T206-T451 WeakPolarHBondContact O-CG2 3.19Å
207	A	98.3	Very high	98.8	Very high	31 Å²	31	25 Å²	25	26%	0.256	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	50.8	-128.2	-176.5	0	0	0	0	0	111.5	T209 T210 F448	A207-T209 PolarHBondContact O-N 3.3Å; A207-T210 PolarHBondContact N-OG1 2.71Å; A207-T210 VanDerWaalsContact O-CB 3.28Å; A207-T210 WeakPolarHBondContact O-CB 3.37Å; A207-T210 PolarHBondContact O-N 2.73Å; A207-T210 PolarHBondContact O-OG1 2.85Å; A207-F448 HydrophobicContact CB-CB 4.2Å
208	C	98.1	Very high	98.8	Very high	11 Å²	11	24.9 Å²	24.9	7%	0.074	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-65.8	-15.4	-178.1	-48.8	0	0	0	0	114.2	T206 H386 L388	T206-C208 PolarHBondContact O-N 3Å; C208-H386 PolarHBondContact SG-NE2 3.2Å; C208-L388 WeakPolarHBondContact CA-O 3.29Å
209	T	98.6	Very high	98.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-89.6	-9.3	-177.5	-46.7	0	0	0	0	112.8	T206 A207 G211 A212 H213 S445 G447 T451 A453	T206-T209 WeakPolarHBondContact O-CB 3.35Å; T206-T209 PolarHBondContact O-N 2.98Å; A207-T209 PolarHBondContact O-N 3.3Å; T209-G211 PolarHBondContact O-N 2.73Å; T209-A212 PolarHBondContact O-N 2.91Å; T209-A212 VanDerWaalsContact O-N 3.12Å; T209-H213 VanDerWaalsContact CG2-CE1 3.43Å; T209-H213 WeakPolarHBondContact CG2-CE1 3.43Å; T209-H213 PolarHBondContact O-N 2.82Å; T209-S445 PolarHBondContact OG1-O 2.84Å; T209-G447 WeakPolarHBondContact OG1-CA 3.34Å; T209-G447 PolarHBondContact OG1-N 2.83Å; T209-T451 PolarHBondContact OG1-O 3.34Å; T209-A453 HydrophobicContact CG2-CB 3.31Å
210	T	98.9	Very high	98.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-48.1	-55.8	-174.8	-63	0	0	0	0	114	V204 T206 A207 A212 H213 A214 G389	V204-T210 HydrophobicContact CG2-CG2 4.21Å; V204-T210 VanDerWaalsContact CG2-O 3.3Å; V204-T210 WeakPolarHBondContact CG2-O 3.41Å; V204-T210 WeakPolarHBondContact O-CG2 3.48Å; T206-T210 PolarHBondContact N-OG1 3.09Å; T206-T210 VanDerWaalsContact OG1-CA 3.3Å; T206-T210 WeakPolarHBondContact OG1-CA 3.49Å; T206-T210 PolarHBondContact OG1-N 3.45Å; A207-T210 PolarHBondContact N-OG1 2.71Å; A207-T210 VanDerWaalsContact O-CB 3.28Å; A207-T210 WeakPolarHBondContact O-CB 3.37Å; A207-T210 PolarHBondContact O-N 2.73Å; A207-T210 PolarHBondContact O-OG1 2.85Å; T210-A212 VanDerWaalsContact C-N 3.34Å; T210-A212 PolarHBondContact O-N 2.91Å; T210-H213 PolarHBondContact O-N 2.9Å; T210-A214 WeakPolarHBondContact O-CB 3.31Å; T210-A214 PolarHBondContact O-N 3.11Å; T210-G389 WeakPolarHBondContact CB-O 3.46Å
211	G	98.9	Very high	98.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.7	-36	-178.1	0	0	0	0	0	113.4	T209 A214 V215 G389	T209-G211 PolarHBondContact O-N 2.73Å; G211-A214 PolarHBondContact O-N 3.1Å; G211-V215 WeakPolarHBondContact O-CG2 3.32Å; G211-V215 PolarHBondContact O-N 2.83Å; G211-G389 WeakPolarHBondContact CA-O 3.39Å; G211-G389 PolarHBondContact N-O 3.46Å
212	A	98.9	Very high	98.8	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.008	12%	0.118	C	C	.	.	H	α-helix	trans	-69.6	-42.3	176.7	0	0	0	0	0	111.6	T209 T210 V215 G216 A453 L455	T209-A212 PolarHBondContact O-N 2.91Å; T209-A212 VanDerWaalsContact O-N 3.12Å; T210-A212 VanDerWaalsContact C-N 3.34Å; T210-A212 PolarHBondContact O-N 2.91Å; A212-V215 PolarHBondContact O-N 3Å; A212-G216 PolarHBondContact O-N 3.03Å; A212-A453 HydrophobicContact CB-CB 4.02Å; A212-L455 HydrophobicContact CB-CD1 4.24Å
213	H	98.9	Very high	98.8	Very high	12 Å²	12	18.8 Å²	18.8	6%	0.056	11%	0.108	C	C	.	.	H	α-helix	trans	-62.4	-42.8	173.8	-76.6	156.8	0	0	0	111.9	V204 T206 T209 T210 V215 G216 D217 Y306 T451	V204-H213 HydrophobicContact CG2-CB 3.98Å; T206-H213 WeakPolarHBondContact CB-ND1 3.46Å; T206-H213 PolarHBondContact OG1-ND1 2.86Å; T209-H213 VanDerWaalsContact CG2-CE1 3.43Å; T209-H213 WeakPolarHBondContact CG2-CE1 3.43Å; T209-H213 PolarHBondContact O-N 2.82Å; T210-H213 PolarHBondContact O-N 2.9Å; H213-V215 VanDerWaalsContact C-N 3.32Å; H213-V215 PolarHBondContact O-N 3.33Å; H213-G216 PolarHBondContact O-N 3.4Å; H213-D217 VanDerWaalsContact O-CB 3.28Å; H213-D217 WeakPolarHBondContact O-CB 3.5Å; H213-D217 PolarHBondContact O-N 2.7Å; H213-Y306 WeakPolarHBondContact CA-OH 3.29Å; H213-Y306 AromaticContact CD2-CE2 3.98Å; H213-Y306 AromaticContact CD2-CZ 3.91Å; H213-Y306 PolarHBondContact CD2-OH 3.15Å; H213-Y306 PolarHBondContact O-OH 3.47Å; H213-T451 PolarHBondContact CE1-OG1 3.01Å
214	A	98.9	Very high	98.7	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.7	-42	179	0	0	0	0	0	112.7	V204 T210 G211 S218 G233	V204-A214 HydrophobicContact CG2-CB 3.89Å; T210-A214 WeakPolarHBondContact O-CB 3.31Å; T210-A214 PolarHBondContact O-N 3.11Å; G211-A214 PolarHBondContact O-N 3.1Å; A214-S218 WeakPolarHBondContact O-CB 3.41Å; A214-S218 PolarHBondContact O-N 2.95Å; A214-S218 VanDerWaalsContact O-N 3.11Å; A214-S218 PolarHBondContact O-OG 3.02Å; A214-G233 WeakPolarHBondContact CB-O 3.48Å
215	V	98.9	Very high	98.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-67.5	-45.7	174.4	173.4	0	0	0	0	111.2	G211 A212 H213 S218 F219 A232 L284 L286 L455 F457	G211-V215 WeakPolarHBondContact O-CG2 3.32Å; G211-V215 PolarHBondContact O-N 2.83Å; A212-V215 PolarHBondContact O-N 3Å; H213-V215 VanDerWaalsContact C-N 3.32Å; H213-V215 PolarHBondContact O-N 3.33Å; V215-S218 PolarHBondContact O-N 3.05Å; V215-F219 WeakPolarHBondContact O-CB 3.36Å; V215-F219 PolarHBondContact O-N 3.1Å; V215-A232 HydrophobicContact CG2-CB 4.25Å; V215-L284 HydrophobicContact CG2-CD1 3.93Å; V215-L286 HydrophobicContact CG1-CD1 4.25Å; V215-L455 HydrophobicContact CB-CD1 3.86Å; V215-L455 HydrophobicContact CG1-CD1 3.68Å; V215-F457 HydrophobicContact CG1-CZ 4.21Å
216	G	98.9	Very high	98.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64.3	-41.6	179	0	0	0	0	0	113.7	A212 H213 F219 R220 Y306	A212-G216 PolarHBondContact O-N 3.03Å; H213-G216 PolarHBondContact O-N 3.4Å; G216-F219 WeakPolarHBondContact O-CB 3.29Å; G216-F219 PolarHBondContact O-N 2.87Å; G216-R220 WeakPolarHBondContact O-CG 3.47Å; G216-R220 PolarHBondContact O-N 2.89Å; G216-Y306 VanDerWaalsContact CA-CD1 3.49Å; G216-Y306 WeakPolarHBondContact O-CD1 3.5Å
217	D	98.9	Very high	98.6	Very high	36 Å²	36	24.7 Å²	24.7	19%	0.193	14%	0.135	C	C	.	.	H	α-helix	trans	-67.5	-40.2	177.6	-64.8	-8.6	0	0	0	110.5	H202 V204 H213 R220 F221 Y306	H202-D217 IonicContact CE1-OD2 3.99Å; H202-D217 PolarHBondContact CE1-OD2 2.86Å; V204-D217 WeakPolarHBondContact CG1-OD2 3.19Å; H213-D217 VanDerWaalsContact O-CB 3.28Å; H213-D217 WeakPolarHBondContact O-CB 3.5Å; H213-D217 PolarHBondContact O-N 2.7Å; D217-R220 WeakPolarHBondContact O-CA 3.29Å; D217-R220 WeakPolarHBondContact O-CB 3.46Å; D217-R220 PolarHBondContact O-N 2.71Å; D217-F221 HydrophobicContact CB-CE2 4.35Å; D217-F221 VanDerWaalsContact O-CD2 3.24Å; D217-F221 WeakPolarHBondContact O-CD2 3.41Å; D217-F221 WeakPolarHBondContact O-CG 3.37Å; D217-F221 PolarHBondContact O-N 2.99Å; D217-Y306 VanDerWaalsContact OD1-CE1 3.26Å; D217-Y306 WeakPolarHBondContact OD1-CE1 3.03Å; D217-Y306 PolarHBondContact OD1-OH 2.76Å
218	S	98.9	Very high	98.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.1	-42.4	172.9	-63.8	0	0	0	0	112.9	A148 A214 V215 R220 F221 I222 A232 L286	A148-S218 WeakPolarHBondContact CB-OG 3.27Å; A214-S218 WeakPolarHBondContact O-CB 3.41Å; A214-S218 PolarHBondContact O-N 2.95Å; A214-S218 VanDerWaalsContact O-N 3.11Å; A214-S218 PolarHBondContact O-OG 3.02Å; V215-S218 PolarHBondContact O-N 3.05Å; S218-R220 PolarHBondContact O-N 3.42Å; S218-F221 PolarHBondContact O-N 3.49Å; S218-I222 WeakPolarHBondContact O-CG1 2.98Å; S218-I222 PolarHBondContact O-N 2.91Å; S218-A232 WeakPolarHBondContact OG-CB 3.32Å; S218-L286 VanDerWaalsContact CB-CD1 3.44Å
219	F	98.9	Very high	98.7	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.018	13%	0.129	C	C	.	.	H	α-helix	trans	-56	-41	170.8	157.3	-117.6	0	0	0	111.4	V43 V215 G216 A223 V303	V43-F219 HydrophobicContact CB-CD2 3.73Å; V43-F219 HydrophobicContact CB-CE2 4.21Å; V43-F219 HydrophobicContact CG1-CD2 4.27Å; V43-F219 HydrophobicContact CG2-CD2 3.64Å; V43-F219 HydrophobicContact CG2-CE2 4.02Å; V215-F219 WeakPolarHBondContact O-CB 3.36Å; V215-F219 PolarHBondContact O-N 3.1Å; G216-F219 WeakPolarHBondContact O-CB 3.29Å; G216-F219 PolarHBondContact O-N 2.87Å; F219-A223 HydrophobicContact CE2-CB 4.4Å; F219-A223 WeakPolarHBondContact O-CB 3.49Å; F219-A223 PolarHBondContact O-N 3.21Å; F219-V303 HydrophobicContact CB-CG1 4.06Å; F219-V303 HydrophobicContact CD1-CG1 4.17Å; F219-V303 HydrophobicContact CD2-CB 3.93Å; F219-V303 HydrophobicContact CD2-CG1 3.85Å; F219-V303 HydrophobicContact CE2-CB 4.29Å; F219-V303 HydrophobicContact CE2-CG1 4.25Å; F219-V303 VanDerWaalsContact CE2-O 3.22Å; F219-V303 WeakPolarHBondContact CE2-O 3.26Å; F219-V303 HydrophobicContact CG-CB 4.33Å; F219-V303 HydrophobicContact CG-CG1 3.78Å
220	R	98.7	Very high	98.7	Very high	94 Å²	94	24.5 Å²	24.5	36%	0.355	13%	0.129	S	C	.	.	H	α-helix	trans	-68.8	-42.9	177.1	-66.2	-66.7	-177.4	73.9	0.7	112.7	G216 D217 S218 I222 A223 H224 Y306 D335	G216-R220 WeakPolarHBondContact O-CG 3.47Å; G216-R220 PolarHBondContact O-N 2.89Å; D217-R220 WeakPolarHBondContact O-CA 3.29Å; D217-R220 WeakPolarHBondContact O-CB 3.46Å; D217-R220 PolarHBondContact O-N 2.71Å; S218-R220 PolarHBondContact O-N 3.42Å; R220-I222 VanDerWaalsContact C-N 3.33Å; R220-I222 PolarHBondContact O-N 3.36Å; R220-A223 PolarHBondContact O-N 2.93Å; R220-H224 WeakPolarHBondContact O-CB 3.24Å; R220-H224 PolarHBondContact O-N 3.36Å; R220-Y306 HydrophobicContact CG-CD1 4.01Å; R220-Y306 HydrophobicContact CG-CE1 4.48Å; R220-Y306 PolarHBondContact NH2-O 3.33Å; R220-D335 IonicContact CZ-OD2 2.75Å; R220-D335 IonicContact NE-OD2 3.87Å; R220-D335 IonicContact NH2-OD1 2.71Å; R220-D335 IonicContact NH2-OD2 2.98Å; R220-D335 PolarHBondContact NH2-OD2 2.97Å
221	F	98.8	Very high	98.7	Very high	51 Å²	51	24.5 Å²	24.5	22%	0.224	13%	0.129	C	C	.	.	H	α-helix	trans	-57.1	-47	175.4	-67.8	-46.7	0	0	0	111.4	P200 H202 D217 S218 H224 G225 D226 M230	P200-F221 HydrophobicContact CB-CD2 4.36Å; P200-F221 HydrophobicContact CB-CG 4.47Å; H202-F221 HydrophobicContact CB-CE2 4.14Å; D217-F221 HydrophobicContact CB-CE2 4.35Å; D217-F221 VanDerWaalsContact O-CD2 3.24Å; D217-F221 WeakPolarHBondContact O-CD2 3.41Å; D217-F221 WeakPolarHBondContact O-CG 3.37Å; D217-F221 PolarHBondContact O-N 2.99Å; S218-F221 PolarHBondContact O-N 3.49Å; F221-H224 PolarHBondContact O-N 3.18Å; F221-G225 PolarHBondContact O-N 2.84Å; F221-D226 HydrophobicContact CB-CB 4.12Å; F221-D226 HydrophobicContact CD1-CB 4.25Å; F221-D226 PolarHBondContact O-N 2.65Å; F221-M230 HydrophobicContact CD2-CE 3.94Å
222	I	98.8	Very high	98.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-67.4	-48.8	177.5	-59.8	169	0	0	0	110.7	R41 V43 S218 R220 H224 G225 A227 M230 L286 E288	R41-I222 PolarHBondContact NE-O 2.75Å; R41-I222 PolarHBondContact NH2-O 3.03Å; V43-I222 HydrophobicContact CB-CG2 4.47Å; V43-I222 HydrophobicContact CG1-CB 4.21Å; V43-I222 HydrophobicContact CG1-CD1 3.84Å; V43-I222 HydrophobicContact CG1-CG2 4.19Å; V43-I222 HydrophobicContact CG2-CB 3.84Å; V43-I222 HydrophobicContact CG2-CG2 3.66Å; S218-I222 WeakPolarHBondContact O-CG1 2.98Å; S218-I222 PolarHBondContact O-N 2.91Å; R220-I222 VanDerWaalsContact C-N 3.33Å; R220-I222 PolarHBondContact O-N 3.36Å; I222-H224 PolarHBondContact O-N 2.91Å; I222-H224 VanDerWaalsContact O-N 3.07Å; I222-G225 PolarHBondContact O-N 3.44Å; I222-A227 VanDerWaalsContact CA-O 3.32Å; I222-A227 WeakPolarHBondContact CA-O 3.35Å; I222-A227 HydrophobicContact CG1-CB 4.35Å; I222-M230 HydrophobicContact CD1-CB 3.93Å; I222-M230 HydrophobicContact CD1-CG 3.8Å; I222-M230 HydrophobicContact CG1-CB 4.38Å; I222-M230 HydrophobicContact CG1-CG 3.68Å; I222-L286 HydrophobicContact CD1-CB 3.58Å; I222-L286 WeakPolarHBondContact CD1-O 3.27Å; I222-E288 HydrophobicContact CG2-CB 3.78Å; I222-E288 HydrophobicContact CG2-CG 4.32Å
223	A	98.3	Very high	98.7	Very high	9 Å²	9	24.4 Å²	24.4	7%	0.074	13%	0.128	C	C	.	.	H	α-helix	trans	-58.6	-27.1	-179.7	0	0	0	0	0	113.3	R40 R41 V43 F219 R220	R40-A223 HydrophobicContact CG-CB 3.8Å; R41-A223 PolarHBondContact N-O 3.4Å; V43-A223 HydrophobicContact CG2-CB 4.18Å; F219-A223 HydrophobicContact CE2-CB 4.4Å; F219-A223 WeakPolarHBondContact O-CB 3.49Å; F219-A223 PolarHBondContact O-N 3.21Å; R220-A223 PolarHBondContact O-N 2.93Å
224	H	97.7	Very high	98.7	Very high	141 Å²	141	23.9 Å²	23.9	65%	0.653	13%	0.126	S	C	*	.	H	α-helix	trans	-91.9	-16.3	-178.1	-161.5	72.9	0	0	0	114.9	R220 F221 I222 D226	R220-H224 WeakPolarHBondContact O-CB 3.24Å; R220-H224 PolarHBondContact O-N 3.36Å; F221-H224 PolarHBondContact O-N 3.18Å; I222-H224 PolarHBondContact O-N 2.91Å; I222-H224 VanDerWaalsContact O-N 3.07Å; H224-D226 IonicContact CD2-OD2 3.44Å; H224-D226 IonicContact CG-OD2 2.71Å
225	G	97	Very high	98.7	Very high	46 Å²	46	23.9 Å²	23.9	47%	0.474	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	109.5	-2.4	-179.4	0	0	0	0	0	115.3	F221 I222	F221-G225 PolarHBondContact O-N 2.84Å; I222-G225 PolarHBondContact O-N 3.44Å
226	D	98.4	Very high	98.7	Very high	82 Å²	82	24 Å²	24	44%	0.439	13%	0.126	S	C	.	.	S	Bend	trans	-77.5	-23.3	-172.1	-57.3	-69.6	0	0	0	113.4	P200 F221 H224	P200-D226 HydrophobicContact CG-CB 4.09Å; F221-D226 HydrophobicContact CB-CB 4.12Å; F221-D226 HydrophobicContact CD1-CB 4.25Å; F221-D226 PolarHBondContact O-N 2.65Å; H224-D226 IonicContact CD2-OD2 3.44Å; H224-D226 IonicContact CG-OD2 2.71Å
227	A	98.7	Very high	98.6	Very high	1 Å²	1	25 Å²	25	1%	0.008	14%	0.135	C	C	.	.			trans	-152.1	149.5	179.4	0	0	0	0	0	110.8	R41 T144 P200 I222 M230	R41-A227 PolarHBondContact NH2-O 3.07Å; T144-A227 CarbonylContact O-C 3.59Å; T144-A227 WeakPolarHBondContact O-CA 3.47Å; T144-A227 WeakPolarHBondContact O-CB 3.4Å; P200-A227 HydrophobicContact CG-CB 4.19Å; I222-A227 VanDerWaalsContact CA-O 3.32Å; I222-A227 WeakPolarHBondContact CA-O 3.35Å; I222-A227 HydrophobicContact CG1-CB 4.35Å; A227-M230 HydrophobicContact CB-CG 3.89Å; A227-M230 HydrophobicContact CB-SD 3.6Å; A227-M230 VanDerWaalsContact CB-SD 3.6Å
228	D	98.8	Very high	98.4	Very high	36 Å²	36	23.7 Å²	23.7	19%	0.193	13%	0.128	C	C	.	.	S	Bend	trans	-92.3	-29.2	169.8	-60.2	-34.3	0	0	0	111.2	R41 T144 E287 E288	R41-D228 IonicContact CZ-OD1 3.36Å; R41-D228 IonicContact NH1-OD1 3.61Å; R41-D228 PolarHBondContact NH1-OD1 3.06Å; R41-D228 IonicContact NH2-OD1 2.79Å; T144-D228 VanDerWaalsContact CB-OD2 3.24Å; T144-D228 WeakPolarHBondContact CB-OD2 3.49Å; T144-D228 PolarHBondContact O-N 3.36Å; T144-D228 PolarHBondContact OG1-OD2 3.03Å; T144-D228 VanDerWaalsContact OG1-OD2 3.09Å; D228-E287 CarbonylContact O-C 3.34Å; D228-E287 WeakPolarHBondContact O-CA 3.44Å; D228-E288 PolarHBondContact O-N 3.29Å
229	V	98.9	Very high	98.3	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.006	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	137.1	179.4	-177.6	0	0	0	0	109.5	W134 T144 A145 G146 V285 L286 E287	W134-V229 HydrophobicContact CD2-CG1 4.15Å; W134-V229 HydrophobicContact CD2-CG2 4.48Å; W134-V229 HydrophobicContact CE3-CG1 4.18Å; W134-V229 HydrophobicContact CH2-CB 4.39Å; W134-V229 HydrophobicContact CH2-CG1 4.19Å; W134-V229 HydrophobicContact CZ2-CB 4.05Å; W134-V229 HydrophobicContact CZ2-CG1 4.13Å; W134-V229 HydrophobicContact CZ2-CG2 3.87Å; W134-V229 HydrophobicContact CZ3-CG1 4.2Å; T144-V229 PolarHBondContact O-N 3.36Å; A145-V229 CarbonylContact C-O 3.56Å; A145-V229 VanDerWaalsContact CA-O 3.28Å; A145-V229 WeakPolarHBondContact CA-O 3.12Å; A145-V229 HydrophobicContact CB-CB 4.14Å; G146-V229 PolarHBondContact N-O 3.03Å; V229-V285 HydrophobicContact CG1-CG1 3.8Å; V229-L286 CarbonylContact C-O 3.6Å; V229-L286 WeakPolarHBondContact CA-O 3.43Å; V229-E287 HydrophobicContact CG2-CG 4.07Å
230	M	98.9	Very high	98.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	126.7	172.6	-69.1	-68.5	-60.7	0	0	110.3	G146 A148 P200 F221 I222 A227 A232 L286	G146-M230 WeakPolarHBondContact CA-SD 3.22Å; G146-M230 WeakPolarHBondContact O-CA 3.38Å; A148-M230 HydrophobicContact CB-CE 3.83Å; P200-M230 HydrophobicContact CB-CE 4.36Å; P200-M230 HydrophobicContact CB-SD 4.27Å; P200-M230 HydrophobicContact CG-SD 4.4Å; F221-M230 HydrophobicContact CD2-CE 3.94Å; I222-M230 HydrophobicContact CD1-CB 3.93Å; I222-M230 HydrophobicContact CD1-CG 3.8Å; I222-M230 HydrophobicContact CG1-CB 4.38Å; I222-M230 HydrophobicContact CG1-CG 3.68Å; A227-M230 HydrophobicContact CB-CG 3.89Å; A227-M230 HydrophobicContact CB-SD 3.6Å; A227-M230 VanDerWaalsContact CB-SD 3.6Å; M230-A232 PolarHBondContact O-N 2.9Å; M230-L286 HydrophobicContact CB-CB 4.39Å; M230-L286 PolarHBondContact N-O 2.98Å; M230-L286 PolarHBondContact O-N 2.92Å
231	L	98.9	Very high	98.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	109.3	161.4	-90.5	67.7	0	0	0	108.7	A125 I129 G146 V147 A148 I191 L197 V283 V285	A125-L231 HydrophobicContact CB-CD2 3.85Å; I129-L231 HydrophobicContact CD1-CD2 3.68Å; I129-L231 HydrophobicContact CG1-CD1 4.21Å; I129-L231 HydrophobicContact CG1-CD2 3.91Å; I129-L231 HydrophobicContact CG1-CG 4.42Å; G146-L231 PolarHBondContact O-N 3.28Å; V147-L231 CarbonylContact C-O 3.56Å; V147-L231 WeakPolarHBondContact CA-O 3.35Å; V147-L231 HydrophobicContact CG1-CB 4.47Å; V147-L231 HydrophobicContact CG2-CB 4.47Å; A148-L231 PolarHBondContact N-O 3.11Å; I191-L231 HydrophobicContact CG2-CD2 3.65Å; L197-L231 HydrophobicContact CD1-CD1 4.03Å; L197-L231 HydrophobicContact CD1-CD2 4.07Å; L197-L231 HydrophobicContact CD1-CG 4.5Å; L231-V283 HydrophobicContact CB-CG1 4.15Å; L231-V283 HydrophobicContact CG-CG1 4.18Å; L231-V285 HydrophobicContact CD1-CG2 4.34Å
232	A	98.9	Very high	98	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	137.9	-169.9	0	0	0	0	0	112.3	A148 V215 S218 M230 V283 L284 L286	A148-A232 WeakPolarHBondContact O-CA 3.19Å; V215-A232 HydrophobicContact CG2-CB 4.25Å; S218-A232 WeakPolarHBondContact OG-CB 3.32Å; M230-A232 PolarHBondContact O-N 2.9Å; A232-V283 CarbonylContact O-C 3.46Å; A232-V283 WeakPolarHBondContact O-CA 3.3Å; A232-L284 PolarHBondContact N-O 2.93Å; A232-L284 PolarHBondContact O-N 2.99Å; A232-L286 HydrophobicContact CB-CD1 3.57Å; A232-L286 HydrophobicContact CB-CG 4.37Å
233	G	98.8	Very high	97.9	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.1	-155.3	179.6	0	0	0	0	0	115.1	A148 I149 G150 A214 A282	A148-G233 PolarHBondContact O-N 3.41Å; I149-G233 WeakPolarHBondContact CA-O 3.33Å; G150-G233 PolarHBondContact N-O 2.91Å; A214-G233 WeakPolarHBondContact CB-O 3.48Å; G233-A282 VanDerWaalsContact CA-O 3.29Å; G233-A282 WeakPolarHBondContact CA-O 3.17Å
234	G	98.9	Very high	97.8	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.01	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	155.1	-177	0	0	0	0	0	112.5	G150 A281 A282 A390	G150-G234 VanDerWaalsContact O-CA 3.3Å; G150-G234 WeakPolarHBondContact O-CA 3.33Å; G234-A281 WeakPolarHBondContact O-CA 3.49Å; G234-A282 PolarHBondContact N-O 3.44Å; G234-A282 VanDerWaalsContact N-O 3.08Å; G234-A282 PolarHBondContact O-N 3.35Å; G234-A390 VanDerWaalsContact O-CB 3.32Å; G234-A390 WeakPolarHBondContact O-CB 3.25Å
235	T	98.9	Very high	97.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	150.5	176.5	-172.2	0	0	0	0	111.1	A117 A121 I149 G150 M151 A187 G280	A117-T235 HydrophobicContact CB-CG2 4.09Å; A117-T235 WeakPolarHBondContact O-CB 3.21Å; A117-T235 PolarHBondContact O-OG1 2.91Å; A121-T235 HydrophobicContact CB-CG2 3.94Å; I149-T235 HydrophobicContact CG2-CG2 4.28Å; G150-T235 PolarHBondContact O-N 3.22Å; M151-T235 HydrophobicContact CB-CG2 4.07Å; M151-T235 HydrophobicContact CG-CG2 4.29Å; M151-T235 HydrophobicContact SD-CG2 4.4Å; A187-T235 HydrophobicContact CB-CG2 3.86Å; T235-G280 WeakPolarHBondContact CA-O 3.31Å
236	E	98.6	Very high	97.8	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	134.9	171.6	-166	74.7	-105.1	0	0	110.4	G152 M153 S238 E279 G280 L387 L388 G389	G152-E236 VanDerWaalsContact CA-OE2 3.31Å; G152-E236 WeakPolarHBondContact CA-OE2 3.47Å; G152-E236 PolarHBondContact N-OE2 3.18Å; M153-E236 PolarHBondContact N-OE2 3.22Å; E236-S238 PolarHBondContact OE1-OG 3.43Å; E236-E279 CarbonylContact O-C 3.56Å; E236-E279 WeakPolarHBondContact O-CA 3.48Å; E236-E279 WeakPolarHBondContact O-CB 3.46Å; E236-G280 PolarHBondContact N-O 3.36Å; E236-G280 PolarHBondContact O-N 3.07Å; E236-L387 VanDerWaalsContact CB-O 3.3Å; E236-L387 WeakPolarHBondContact CB-O 3.27Å; E236-L388 HydrophobicContact CG-CB 3.89Å; E236-L388 HydrophobicContact CG-CD1 4.03Å; E236-L388 HydrophobicContact CG-CG 4.34Å; E236-L388 WeakPolarHBondContact OE2-CB 3.44Å; E236-G389 PolarHBondContact OE2-N 3.39Å
237	A	97.6	Very high	97.8	Very high	22 Å²	22	16 Å²	16	18%	0.182	11%	0.105	C	C	.	.			trans	-141.6	68.3	171.6	0	0	0	0	0	108.9	A117 M120	A117-A237 HydrophobicContact CB-CB 3.8Å; M120-A237 HydrophobicContact CE-CB 4.21Å; M120-A237 HydrophobicContact SD-CB 4.19Å
238	S	94.4	Very high	97.7	Very high	8 Å²	8	16.6 Å²	16.6	6%	0.056	11%	0.111	C	C	.	.			trans	-115.7	16.9	-166.5	-79.2	0	0	0	0	113	M153 E236 S240 S243	M153-S238 VanDerWaalsContact CE-OG 3.29Å; M153-S238 WeakPolarHBondContact CE-OG 3.43Å; E236-S238 PolarHBondContact OE1-OG 3.43Å; S238-S240 PolarHBondContact O-N 2.73Å; S238-S243 WeakPolarHBondContact O-CB 3.43Å; S238-S243 PolarHBondContact O-OG 2.9Å
239	I	97.6	Very high	97.6	Very high	20 Å²	20	25.3 Å²	25.3	10%	0.103	14%	0.141	C	C	.	.			trans	-78.1	108.6	175.4	-59.3	170.3	0	0	0	108.4	L75 A88 C90 L244 M277 E279	L75-I239 HydrophobicContact CD2-CG2 4.42Å; A88-I239 HydrophobicContact CB-CD1 3.99Å; A88-I239 HydrophobicContact CB-CG1 4.47Å; A88-I239 HydrophobicContact CB-CG2 4.04Å; C90-I239 HydrophobicContact CB-CD1 4.49Å; I239-L244 HydrophobicContact CG2-CD1 4.48Å; I239-M277 HydrophobicContact CG1-CG 4.16Å; I239-M277 HydrophobicContact CG1-SD 4.23Å; I239-E279 HydrophobicContact CD1-CB 3.91Å; I239-E279 HydrophobicContact CD1-CG 3.65Å; I239-E279 HydrophobicContact CG1-CB 4.29Å; I239-E279 HydrophobicContact CG1-CG 4.47Å
240	S	96.7	Very high	97.4	Very high	4 Å²	4	28 Å²	28	3%	0.028	16%	0.163	C	C	.	.	S	Bend	trans	-153.4	162.7	178.5	57.7	0	0	0	0	110.6	E157 S238 L242 S243 L244	E157-S240 WeakPolarHBondContact OE1-CB 3.46Å; S238-S240 PolarHBondContact O-N 2.73Å; S240-L242 VanDerWaalsContact C-N 3.27Å; S240-L242 PolarHBondContact O-N 2.82Å; S240-S243 PolarHBondContact N-OG 2.92Å; S240-S243 VanDerWaalsContact N-OG 3.08Å; S240-S243 PolarHBondContact O-N 3.48Å; S240-S243 PolarHBondContact O-OG 3.48Å; S240-S243 VanDerWaalsContact OG-CB 3.32Å; S240-S243 WeakPolarHBondContact OG-CB 3.47Å; S240-S243 PolarHBondContact OG-N 2.99Å; S240-S243 PolarHBondContact OG-OG 2.94Å; S240-L244 WeakPolarHBondContact O-CB 3.28Å; S240-L244 WeakPolarHBondContact O-CG 3.09Å; S240-L244 PolarHBondContact O-N 3.2Å
241	P	95.6	Very high	97.2	Very high	33 Å²	33	38.7 Å²	38.7	21%	0.214	20%	0.203	C	C	.	.	H	α-helix	trans	-56.7	-41.6	175.1	-26.9	36.1	0	0	0	112.4	E79 Y80 E157 A245	E79-P241 HydrophobicContact CB-CG 3.85Å; E79-P241 HydrophobicContact CG-CG 3.53Å; Y80-P241 HydrophobicContact CD1-CB 4.42Å; Y80-P241 HydrophobicContact CD1-CG 4.23Å; Y80-P241 HydrophobicContact CE1-CB 4.23Å; Y80-P241 HydrophobicContact CE1-CG 3.75Å; E157-P241 VanDerWaalsContact OE1-CD 3.31Å; E157-P241 WeakPolarHBondContact OE1-CD 3.44Å; P241-A245 WeakPolarHBondContact O-CB 3.22Å; P241-A245 PolarHBondContact O-N 2.85Å
242	L	96.4	Very high	97.1	Very high	96 Å²	96	39.1 Å²	39.1	50%	0.503	21%	0.207	S	C	.	.	H	α-helix	trans	-68.6	-43.9	-178.2	-179.6	58.5	0	0	0	112.3	L156 S240 G246	L156-L242 HydrophobicContact CB-CD2 4.47Å; S240-L242 VanDerWaalsContact C-N 3.27Å; S240-L242 PolarHBondContact O-N 2.82Å; L242-G246 PolarHBondContact O-N 3.17Å
243	S	97	Very high	97.1	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.021	21%	0.208	C	C	.	.	H	α-helix	trans	-67.1	-45.6	178.7	66.6	0	0	0	0	111.3	S238 S240 A245 G246 F247	S238-S243 WeakPolarHBondContact O-CB 3.43Å; S238-S243 PolarHBondContact O-OG 2.9Å; S240-S243 PolarHBondContact N-OG 2.92Å; S240-S243 VanDerWaalsContact N-OG 3.08Å; S240-S243 PolarHBondContact O-N 3.48Å; S240-S243 PolarHBondContact O-OG 3.48Å; S240-S243 VanDerWaalsContact OG-CB 3.32Å; S240-S243 WeakPolarHBondContact OG-CB 3.47Å; S240-S243 PolarHBondContact OG-N 2.99Å; S240-S243 PolarHBondContact OG-OG 2.94Å; S243-A245 VanDerWaalsContact C-N 3.32Å; S243-A245 PolarHBondContact O-N 3.16Å; S243-G246 PolarHBondContact O-N 3.31Å; S243-G246 VanDerWaalsContact O-N 3.11Å; S243-F247 WeakPolarHBondContact O-CD2 3.49Å; S243-F247 PolarHBondContact O-N 2.96Å
244	L	97.8	Very high	97.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.9	-39.2	177.9	-71.2	175	0	0	0	111.4	L75 Y80 V83 I239 S240 A248 L253 M277	L75-L244 HydrophobicContact CD1-CD1 3.26Å; Y80-L244 HydrophobicContact CD1-CD1 3.78Å; Y80-L244 HydrophobicContact CE1-CD1 3.56Å; V83-L244 HydrophobicContact CG1-CB 3.94Å; I239-L244 HydrophobicContact CG2-CD1 4.48Å; S240-L244 WeakPolarHBondContact O-CB 3.28Å; S240-L244 WeakPolarHBondContact O-CG 3.09Å; S240-L244 PolarHBondContact O-N 3.2Å; L244-A248 WeakPolarHBondContact O-CB 3.37Å; L244-A248 PolarHBondContact O-N 3.04Å; L244-L253 HydrophobicContact CB-CD1 4.38Å; L244-L253 HydrophobicContact CD2-CD1 3.68Å; L244-L253 WeakPolarHBondContact O-CD1 3.32Å; L244-M277 HydrophobicContact CD2-CB 4.07Å; L244-M277 HydrophobicContact CD2-CE 4.15Å; L244-M277 HydrophobicContact CD2-SD 4.04Å
245	A	97.3	Very high	97	Very high	35 Å²	35	42.2 Å²	42.2	29%	0.289	23%	0.226	S	C	.	.	H	α-helix	trans	-59.1	-47.3	171.4	0	0	0	0	0	111.2	V83 P241 S243 A248 R249	V83-A245 HydrophobicContact CG2-CB 4.38Å; P241-A245 WeakPolarHBondContact O-CB 3.22Å; P241-A245 PolarHBondContact O-N 2.85Å; S243-A245 VanDerWaalsContact C-N 3.32Å; S243-A245 PolarHBondContact O-N 3.16Å; A245-A248 PolarHBondContact O-N 3.2Å; A245-R249 WeakPolarHBondContact O-CB 3.43Å; A245-R249 WeakPolarHBondContact O-CG 3.07Å; A245-R249 PolarHBondContact O-N 2.78Å
246	G	97.4	Very high	96.9	Very high	45 Å²	45	44.4 Å²	44.4	46%	0.464	25%	0.248	S	C	.	.	H	α-helix	trans	-56.7	-52.1	177.7	0	0	0	0	0	113.1	L242 S243 R249 A250	L242-G246 PolarHBondContact O-N 3.17Å; S243-G246 PolarHBondContact O-N 3.31Å; S243-G246 VanDerWaalsContact O-N 3.11Å; G246-R249 PolarHBondContact O-N 2.83Å; G246-A250 PolarHBondContact O-N 3.33Å; G246-A250 VanDerWaalsContact O-N 3.07Å
247	F	97.8	Very high	96.8	Very high	29 Å²	29	44.9 Å²	44.9	13%	0.127	25%	0.25	C	S	.	.	H	α-helix	trans	-70.5	-33.7	179.6	-79.6	-81.9	0	0	0	113.3	M153 S243 R249 A250 R251 A252 L253 F275 M277 L388 F448	M153-F247 HydrophobicContact CE-CE2 3.87Å; M153-F247 HydrophobicContact CE-CZ 4.44Å; M153-F247 HydrophobicContact SD-CE2 3.67Å; M153-F247 HydrophobicContact SD-CZ 3.87Å; S243-F247 WeakPolarHBondContact O-CD2 3.49Å; S243-F247 PolarHBondContact O-N 2.96Å; F247-R249 VanDerWaalsContact C-N 3.34Å; F247-A250 CarbonylContact O-C 3.53Å; F247-A250 PolarHBondContact O-N 3.46Å; F247-R251 PolarHBondContact O-N 3.34Å; F247-A252 HydrophobicContact CD1-CB 4.2Å; F247-A252 PolarHBondContact O-N 2.88Å; F247-L253 HydrophobicContact CB-CD1 3.83Å; F247-L253 HydrophobicContact CB-CD2 3.88Å; F247-L253 HydrophobicContact CB-CG 3.7Å; F247-F275 HydrophobicContact CD1-CE1 4Å; F247-F275 AromaticContact CD1-CZ 3.6Å; F247-F275 HydrophobicContact CD1-CZ 3.6Å; F247-F275 HydrophobicContact CE1-CE1 4.35Å; F247-F275 AromaticContact CE1-CZ 3.91Å; F247-F275 HydrophobicContact CE1-CZ 3.91Å; F247-F275 HydrophobicContact CG-CZ 4.11Å; F247-M277 HydrophobicContact CB-CE 4.3Å; F247-M277 HydrophobicContact CD2-CE 3.22Å; F247-M277 HydrophobicContact CE2-CE 3.6Å; F247-M277 HydrophobicContact CG-CE 3.9Å; F247-L388 HydrophobicContact CE2-CD1 4.37Å; F247-L388 HydrophobicContact CZ-CD1 4.38Å; F247-L388 HydrophobicContact CZ-CD2 4.31Å; F247-F448 HydrophobicContact CD1-CE2 4.18Å; F247-F448 HydrophobicContact CE1-CD2 4.38Å; F247-F448 AromaticContact CE1-CE2 3.76Å; F247-F448 HydrophobicContact CE1-CE2 3.76Å; F247-F448 HydrophobicContact CE1-CZ 4.38Å
248	A	96.4	Very high	96.7	Very high	15 Å²	15	45.8 Å²	45.8	12%	0.124	25%	0.252	C	S	.	.	H	α-helix	trans	-64.2	-39.9	172.7	0	0	0	0	0	111.3	V83 P84 L244 A245 A250 R251 L253	V83-A248 HydrophobicContact CG1-CB 4.41Å; P84-A248 HydrophobicContact CG-CB 4.31Å; L244-A248 WeakPolarHBondContact O-CB 3.37Å; L244-A248 PolarHBondContact O-N 3.04Å; A245-A248 PolarHBondContact O-N 3.2Å; A248-A250 VanDerWaalsContact C-N 3.29Å; A248-A250 PolarHBondContact O-N 3.13Å; A248-R251 WeakPolarHBondContact O-CA 3.32Å; A248-R251 PolarHBondContact O-N 2.86Å; A248-L253 HydrophobicContact CB-CD1 4.21Å
249	R	96.9	Very high	96.8	Very high	218 Å²	218	50.4 Å²	50.4	82%	0.823	28%	0.284	S	S	*	.	H	α-helix	trans	-65.5	-32.5	174.5	-71.1	-62.8	-61	-178.2	-2.3	112.5	A245 G246 F247 R251	A245-R249 WeakPolarHBondContact O-CB 3.43Å; A245-R249 WeakPolarHBondContact O-CG 3.07Å; A245-R249 PolarHBondContact O-N 2.78Å; G246-R249 PolarHBondContact O-N 2.83Å; F247-R249 VanDerWaalsContact C-N 3.34Å; R249-R251 PolarHBondContact O-N 2.96Å
250	A	94.4	Very high	96.8	Very high	57 Å²	57	55.7 Å²	55.7	47%	0.471	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-1.2	170.5	0	0	0	0	0	113.7	G246 F247 A248 A252	G246-A250 PolarHBondContact O-N 3.33Å; G246-A250 VanDerWaalsContact O-N 3.07Å; F247-A250 CarbonylContact O-C 3.53Å; F247-A250 PolarHBondContact O-N 3.46Å; A248-A250 VanDerWaalsContact C-N 3.29Å; A248-A250 PolarHBondContact O-N 3.13Å; A250-A252 PolarHBondContact O-N 2.88Å
251	R	95.4	Very high	96.8	Very high	225 Å²	225	56.7 Å²	56.7	85%	0.849	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	35.9	-177	-56.6	-177.2	176.4	-173.1	-1.9	113.3	F247 A248 R249	F247-R251 PolarHBondContact O-N 3.34Å; A248-R251 WeakPolarHBondContact O-CA 3.32Å; A248-R251 PolarHBondContact O-N 2.86Å; R249-R251 PolarHBondContact O-N 2.96Å
252	A	96.8	Very high	96.9	Very high	10 Å²	10	61.3 Å²	61.3	8%	0.083	33%	0.326	C	S	.	.			trans	-96.7	-19.4	-177.7	0	0	0	0	0	113.4	F247 A250 G274 F275 F448	F247-A252 HydrophobicContact CD1-CB 4.2Å; F247-A252 PolarHBondContact O-N 2.88Å; A250-A252 PolarHBondContact O-N 2.88Å; A252-G274 CarbonylContact O-C 3.59Å; A252-G274 WeakPolarHBondContact O-CA 3.28Å; A252-F275 HydrophobicContact CB-CD1 4.08Å; A252-F275 HydrophobicContact CB-CE1 3.53Å; A252-F275 HydrophobicContact CB-CZ 4.41Å; A252-F275 WeakPolarHBondContact O-CD1 3.48Å; A252-F275 PolarHBondContact O-N 2.78Å; A252-F448 HydrophobicContact CB-CZ 4.13Å
253	L	98.3	Very high	96.9	Very high	5 Å²	5	59.5 Å²	59.5	3%	0.026	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-95.1	149.1	-175	-56.9	-179.3	0	0	0	112.8	C85 L244 F247 A248 F275 M277	C85-L253 HydrophobicContact CB-CB 3.89Å; C85-L253 HydrophobicContact CB-CD1 3.74Å; C85-L253 HydrophobicContact CB-CG 4.48Å; L244-L253 HydrophobicContact CB-CD1 4.38Å; L244-L253 HydrophobicContact CD2-CD1 3.68Å; L244-L253 WeakPolarHBondContact O-CD1 3.32Å; F247-L253 HydrophobicContact CB-CD1 3.83Å; F247-L253 HydrophobicContact CB-CD2 3.88Å; F247-L253 HydrophobicContact CB-CG 3.7Å; A248-L253 HydrophobicContact CB-CD1 4.21Å; L253-F275 CarbonylContact C-O 3.56Å; L253-F275 VanDerWaalsContact CA-O 3.29Å; L253-F275 WeakPolarHBondContact CA-O 3.48Å; L253-F275 HydrophobicContact CD2-CD1 4.49Å; L253-F275 HydrophobicContact CD2-CD2 3.79Å; L253-F275 HydrophobicContact CD2-CE1 4.11Å; L253-F275 HydrophobicContact CD2-CE2 3.31Å; L253-F275 HydrophobicContact CD2-CG 4.34Å; L253-F275 HydrophobicContact CD2-CZ 3.5Å; L253-F275 VanDerWaalsContact CD2-CZ 3.5Å; L253-M277 HydrophobicContact CD2-CB 4.46Å
254	S	98.1	Very high	97	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.314	C	S	.	.			trans	-64.7	143.4	166.8	175.4	0	0	0	0	110.9	C85 E273 F275	C85-S254 WeakPolarHBondContact CB-O 3.29Å; C85-S254 PolarHBondContact SG-O 3.44Å; C85-S254 VanDerWaalsContact SG-O 3.38Å; S254-E273 PolarHBondContact OG-OE1 3.21Å; S254-F275 PolarHBondContact N-O 2.8Å
255	T	97.3	Very high	97	Very high	61 Å²	61	59.4 Å²	59.4	37%	0.374	32%	0.315	S	S	.	.			trans	-141.2	-23	-175.8	57.8	0	0	0	0	114.1	P84 C85 N258 E273	P84-T255 HydrophobicContact CB-CG2 3.75Å; C85-T255 HydrophobicContact CB-CG2 4.47Å; T255-N258 PolarHBondContact O-ND2 2.99Å; T255-E273 PolarHBondContact N-OE1 3.25Å
256	G	96.4	Very high	97.1	Very high	45 Å²	45	58 Å²	58	46%	0.464	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-8.5	177.5	0	0	0	0	0	115	E273	G256-E273 WeakPolarHBondContact CA-OE1 3.5Å; G256-E273 PolarHBondContact N-OE1 3.3Å; G256-E273 PolarHBondContact N-OE2 3.4Å
257	F	96.8	Very high	97.2	Very high	12 Å²	12	55.9 Å²	55.9	5%	0.053	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	19.8	-178.9	-64.4	-71.4	0	0	0	114.8	S259 R260 A264 R266 Q271 E273	F257-S259 PolarHBondContact O-N 2.88Å; F257-S259 VanDerWaalsContact O-N 3.15Å; F257-R260 VanDerWaalsContact CE1-NH2 3.31Å; F257-R260 CarbonylContact O-C 3.56Å; F257-R260 PolarHBondContact O-N 2.95Å; F257-A264 HydrophobicContact CB-CB 3.61Å; F257-R266 VanDerWaalsContact CE1-NH1 3.28Å; F257-Q271 HydrophobicContact CZ-CB 4.36Å; F257-E273 HydrophobicContact CD2-CG 4.29Å; F257-E273 HydrophobicContact CE2-CG 4.14Å
258	N	96.7	Very high	97.2	Very high	41 Å²	41	54.6 Å²	54.6	22%	0.219	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-34.8	179	-71.1	-24.3	0	0	0	114.1	P84 K86 T255 R260	P84-N258 PolarHBondContact O-ND2 2.95Å; K86-N258 HydrophobicContact CB-CB 3.93Å; K86-N258 WeakPolarHBondContact CB-OD1 3.23Å; K86-N258 HydrophobicContact CG-CB 4.08Å; K86-N258 WeakPolarHBondContact CG-ND2 3.45Å; K86-N258 PolarHBondContact N-OD1 3.48Å; T255-N258 PolarHBondContact O-ND2 2.99Å; N258-R260 VanDerWaalsContact C-N 3.31Å
259	S	96.6	Very high	97.3	Very high	105 Å²	105	54 Å²	54	73%	0.734	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-7.1	177.8	59	0	0	0	0	114.4	F257	F257-S259 PolarHBondContact O-N 2.88Å; F257-S259 VanDerWaalsContact O-N 3.15Å
260	R	96.9	Very high	97.4	Very high	131 Å²	131	45.8 Å²	45.8	49%	0.494	25%	0.245	S	C	.	.			trans	-138.7	65.5	-177.2	-66	178.6	-69	170	-3.4	109.2	F257 N258 K262 M263	F257-R260 VanDerWaalsContact CE1-NH2 3.31Å; F257-R260 CarbonylContact O-C 3.56Å; F257-R260 PolarHBondContact O-N 2.95Å; N258-R260 VanDerWaalsContact C-N 3.31Å; R260-K262 VanDerWaalsContact C-N 3.33Å; R260-K262 PolarHBondContact O-N 3.06Å; R260-M263 HydrophobicContact CB-CB 4.18Å; R260-M263 HydrophobicContact CB-CG 4.2Å; R260-M263 WeakPolarHBondContact O-CB 3.35Å; R260-M263 PolarHBondContact O-N 3.31Å
261	P	97.1	Very high	97.5	Very high	24 Å²	24	48.4 Å²	48.4	16%	0.156	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-53.8	-46.1	-169.4	19.3	-33.5	0	0	0	113.2	I72 V87 M263 A264	I72-P261 HydrophobicContact CG2-CB 4.12Å; I72-P261 WeakPolarHBondContact CG2-O 3.41Å; V87-P261 HydrophobicContact CB-CB 4.31Å; V87-P261 HydrophobicContact CG1-CB 3.74Å; P261-M263 PolarHBondContact O-N 3.29Å; P261-A264 VanDerWaalsContact O-CB 3.27Å; P261-A264 WeakPolarHBondContact O-CB 3.29Å; P261-A264 PolarHBondContact O-N 3.04Å
262	K	96.6	Very high	97.7	Very high	130 Å²	130	38.5 Å²	38.5	57%	0.565	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-58.8	-19.2	178.7	-67.6	-170.4	175.8	-173.9	0	114.3	R260 N413	R260-K262 VanDerWaalsContact C-N 3.33Å; R260-K262 PolarHBondContact O-N 3.06Å; K262-N413 PolarHBondContact O-ND2 3.43Å; K262-N413 PolarHBondContact O-OD1 2.71Å
263	M	97.7	Very high	97.7	Very high	58 Å²	58	41.1 Å²	41.1	29%	0.286	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-96.4	-7.9	178.4	-59.5	-66.1	-55.8	0	0	113	R260 P261 C265 R266 N413	R260-M263 HydrophobicContact CB-CB 4.18Å; R260-M263 HydrophobicContact CB-CG 4.2Å; R260-M263 WeakPolarHBondContact O-CB 3.35Å; R260-M263 PolarHBondContact O-N 3.31Å; P261-M263 PolarHBondContact O-N 3.29Å; M263-C265 PolarHBondContact O-N 3.22Å; M263-R266 VanDerWaalsContact O-CZ 3.23Å; M263-R266 PolarHBondContact O-NE 3.5Å; M263-R266 PolarHBondContact O-NH2 2.87Å; M263-N413 HydrophobicContact CE-CB 4.18Å; M263-N413 PolarHBondContact SD-OD1 2.74Å
264	A	98.2	Very high	97.7	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-68.5	-36.6	-168	0	0	0	0	0	113.5	V87 F257 P261 V276	V87-A264 HydrophobicContact CG2-CB 3.91Å; F257-A264 HydrophobicContact CB-CB 3.61Å; P261-A264 VanDerWaalsContact O-CB 3.27Å; P261-A264 WeakPolarHBondContact O-CB 3.29Å; P261-A264 PolarHBondContact O-N 3.04Å; A264-V276 HydrophobicContact CB-CG2 3.65Å
265	C	98.6	Very high	97.7	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.007	22%	0.222	C	C	.	.			trans	-95.4	116.7	173.3	-170.5	0	0	0	0	110	I72 M263 V276 K381 N413	I72-C265 HydrophobicContact CD1-CB 3.43Å; I72-C265 VanDerWaalsContact CD1-CB 3.43Å; M263-C265 PolarHBondContact O-N 3.22Å; C265-V276 HydrophobicContact CB-CB 4.23Å; C265-V276 HydrophobicContact CB-CG2 3.87Å; C265-K381 PolarHBondContact SG-O 3.45Å; C265-N413 PolarHBondContact O-ND2 2.93Å
266	R	98.7	Very high	97.8	Very high	7 Å²	7	38.4 Å²	38.4	3%	0.026	20%	0.204	C	C	.	.			trans	-143.6	68.2	-173.5	54.7	179.4	68.9	171	8.8	111.7	F257 M263 F268 D269 Q271 R272 S352 N413	F257-R266 VanDerWaalsContact CE1-NH1 3.28Å; M263-R266 VanDerWaalsContact O-CZ 3.23Å; M263-R266 PolarHBondContact O-NE 3.5Å; M263-R266 PolarHBondContact O-NH2 2.87Å; R266-F268 PolarHBondContact O-N 2.91Å; R266-D269 HydrophobicContact CB-CB 3.81Å; R266-D269 HydrophobicContact CG-CB 3.94Å; R266-D269 VanDerWaalsContact O-CB 3.3Å; R266-D269 WeakPolarHBondContact O-CB 3.44Å; R266-D269 PolarHBondContact O-N 2.86Å; R266-D269 VanDerWaalsContact O-N 3.1Å; R266-Q271 VanDerWaalsContact NH1-CB 3.33Å; R266-R272 HydrophobicContact CG-CB 4.01Å; R266-S352 PolarHBondContact N-OG 2.89Å; R266-N413 HydrophobicContact CB-CB 3.69Å
267	P	98.8	Very high	97.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	138.7	-178.1	-25.2	35.5	0	0	0	112.3	D269 A350 D357 S379 T411	P267-D269 PolarHBondContact O-N 3.49Å; P267-A350 HydrophobicContact CB-CB 4.03Å; P267-D357 VanDerWaalsContact CA-OD2 3.29Å; P267-D357 WeakPolarHBondContact CA-OD2 3.24Å; P267-S379 WeakPolarHBondContact CG-OG 3.5Å; P267-T411 HydrophobicContact CB-CG2 3.99Å; P267-T411 HydrophobicContact CG-CG2 4.35Å
268	F	98.8	Very high	98	Very high	1 Å²	1	35.7 Å²	35.7	0%	0.004	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	-5.8	-178	-41.8	-65.8	0	0	0	116.6	R266 A348 A350 D357 V377 T411 L414 F421 Y425	R266-F268 PolarHBondContact O-N 2.91Å; F268-A348 HydrophobicContact CE2-CB 4.43Å; F268-A348 HydrophobicContact CZ-CB 3.68Å; F268-A350 HydrophobicContact CD1-CB 4.1Å; F268-A350 HydrophobicContact CE1-CB 3.31Å; F268-A350 HydrophobicContact CE2-CB 3.88Å; F268-A350 HydrophobicContact CZ-CB 3.18Å; F268-D357 HydrophobicContact CD1-CB 4.08Å; F268-D357 HydrophobicContact CE1-CB 4.41Å; F268-D357 PolarHBondContact N-OD2 2.64Å; F268-V377 HydrophobicContact CE2-CG1 4.42Å; F268-V377 HydrophobicContact CZ-CG1 4.07Å; F268-T411 HydrophobicContact CD2-CG2 4.11Å; F268-L414 HydrophobicContact CB-CD1 4.18Å; F268-L414 HydrophobicContact CB-CD2 4.42Å; F268-F421 HydrophobicContact CB-CD1 4Å; F268-F421 HydrophobicContact CB-CE1 4.34Å; F268-F421 AromaticContact CD1-CD1 3.99Å; F268-F421 HydrophobicContact CD1-CD1 3.99Å; F268-F421 AromaticContact CD1-CE1 3.86Å; F268-F421 HydrophobicContact CD1-CE1 3.86Å; F268-F421 HydrophobicContact CG-CD1 4.43Å; F268-Y425 HydrophobicContact CB-CD1 4.34Å; F268-Y425 HydrophobicContact CB-CG 4.45Å; F268-Y425 HydrophobicContact CD1-CD1 4.19Å; F268-Y425 HydrophobicContact CD1-CE1 4.05Å; F268-Y425 AromaticContact CD2-CD1 3.57Å; F268-Y425 HydrophobicContact CD2-CD1 3.57Å; F268-Y425 HydrophobicContact CD2-CE1 4.26Å; F268-Y425 HydrophobicContact CD2-CG 4.02Å; F268-Y425 HydrophobicContact CE1-CD1 4.37Å; F268-Y425 HydrophobicContact CE1-CE1 4.26Å; F268-Y425 AromaticContact CE2-CD1 3.8Å; F268-Y425 HydrophobicContact CE2-CD1 3.8Å; F268-Y425 HydrophobicContact CE2-CE1 4.48Å; F268-Y425 AromaticContact CG-CD1 3.77Å; F268-Y425 HydrophobicContact CG-CD1 3.77Å; F268-Y425 HydrophobicContact CG-CE1 4.03Å; F268-Y425 HydrophobicContact CG-CG 4.28Å; F268-Y425 HydrophobicContact CZ-CD1 4.17Å; F268-Y425 HydrophobicContact CZ-CE1 4.46Å
269	D	98.7	Very high	98.1	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.016	17%	0.172	C	C	.	.			trans	-73.2	145.1	178.6	-169.5	-90	0	0	0	111.1	R266 P267 Q271 R272 L414 Q415 K416	R266-D269 HydrophobicContact CB-CB 3.81Å; R266-D269 HydrophobicContact CG-CB 3.94Å; R266-D269 VanDerWaalsContact O-CB 3.3Å; R266-D269 WeakPolarHBondContact O-CB 3.44Å; R266-D269 PolarHBondContact O-N 2.86Å; R266-D269 VanDerWaalsContact O-N 3.1Å; P267-D269 PolarHBondContact O-N 3.49Å; D269-Q271 PolarHBondContact O-N 2.89Å; D269-Q271 VanDerWaalsContact O-N 3.15Å; D269-Q271 WeakPolarHBondContact OD1-CB 3.49Å; D269-Q271 PolarHBondContact OD1-N 3.48Å; D269-R272 WeakPolarHBondContact O-CB 3.28Å; D269-R272 WeakPolarHBondContact O-CD 3.19Å; D269-R272 WeakPolarHBondContact O-CG 3.45Å; D269-R272 PolarHBondContact O-N 3.32Å; D269-R272 VanDerWaalsContact O-N 3.1Å; D269-R272 PolarHBondContact O-NH1 3Å; D269-L414 HydrophobicContact CB-CD1 3.87Å; D269-Q415 PolarHBondContact OD2-N 3.4Å; D269-K416 PolarHBondContact OD2-N 3.05Å
270	S	98	Very high	98.2	Very high	46 Å²	46	29.5 Å²	29.5	32%	0.322	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-19	179.5	57.1	0	0	0	0	114.3	K416	S270-K416 WeakPolarHBondContact CB-O 3.48Å; S270-K416 PolarHBondContact N-O 3.01Å; S270-K416 PolarHBondContact OG-O 3.43Å
271	Q	97.8	Very high	98.3	Very high	112 Å²	112	23.3 Å²	23.3	52%	0.523	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	11.9	177.5	-63.5	-177.5	28.7	0	0	113.6	F257 R266 D269	F257-Q271 HydrophobicContact CZ-CB 4.36Å; R266-Q271 VanDerWaalsContact NH1-CB 3.33Å; D269-Q271 PolarHBondContact O-N 2.89Å; D269-Q271 VanDerWaalsContact O-N 3.15Å; D269-Q271 WeakPolarHBondContact OD1-CB 3.49Å; D269-Q271 PolarHBondContact OD1-N 3.48Å
272	R	98.3	Very high	98.4	Very high	17 Å²	17	22.1 Å²	22.1	6%	0.064	11%	0.107	C	C	.	.			trans	-65.1	141.6	176.1	76.4	-171.2	177.1	-77.6	-4.2	110.9	R266 D269 S352 T353 P354 D357 E418 F421	R266-R272 HydrophobicContact CG-CB 4.01Å; D269-R272 WeakPolarHBondContact O-CB 3.28Å; D269-R272 WeakPolarHBondContact O-CD 3.19Å; D269-R272 WeakPolarHBondContact O-CG 3.45Å; D269-R272 PolarHBondContact O-N 3.32Å; D269-R272 VanDerWaalsContact O-N 3.1Å; D269-R272 PolarHBondContact O-NH1 3Å; R272-S352 WeakPolarHBondContact CB-O 3.42Å; R272-S352 WeakPolarHBondContact CB-OG 3.43Å; R272-T353 PolarHBondContact NE-O 2.82Å; R272-P354 PolarHBondContact NH2-O 2.88Å; R272-P354 VanDerWaalsContact NH2-O 3.09Å; R272-D357 VanDerWaalsContact CD-OD2 3.23Å; R272-D357 WeakPolarHBondContact CD-OD2 3.43Å; R272-D357 IonicContact NE-OD2 3.47Å; R272-E418 IonicContact CZ-OE1 2.98Å; R272-E418 IonicContact NH1-OE1 2.74Å; R272-E418 PolarHBondContact NH1-OE1 3.18Å; R272-E418 IonicContact NH2-OE1 3.3Å; R272-E418 PolarHBondContact NH2-OE1 3.32Å; R272-F421 VanDerWaalsContact NH2-CZ 3.33Å
273	E	97.5	Very high	98.5	Very high	65 Å²	65	16 Å²	16	30%	0.304	8%	0.08	S	C	.	.			trans	-145.1	2.3	-170.8	54.1	162.1	-151.7	0	0	114	S254 T255 G256 F257 S352	S254-E273 PolarHBondContact OG-OE1 3.21Å; T255-E273 PolarHBondContact N-OE1 3.25Å; G256-E273 WeakPolarHBondContact CA-OE1 3.5Å; G256-E273 PolarHBondContact N-OE1 3.3Å; G256-E273 PolarHBondContact N-OE2 3.4Å; F257-E273 HydrophobicContact CD2-CG 4.29Å; F257-E273 HydrophobicContact CE2-CG 4.14Å; E273-S352 PolarHBondContact N-O 2.77Å
274	G	98.3	Very high	98.6	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.01	7%	0.066	C	C	.	.			trans	155.5	160.7	-173.1	0	0	0	0	0	111.6	A252 S352	A252-G274 CarbonylContact O-C 3.59Å; A252-G274 WeakPolarHBondContact O-CA 3.28Å; G274-S352 CarbonylContact C-O 3.58Å; G274-S352 PolarHBondContact N-O 3.47Å; G274-S352 VanDerWaalsContact O-O 3.06Å
275	F	98.6	Very high	98.6	Very high	7 Å²	7	13.2 Å²	13.2	3%	0.031	7%	0.066	C	C	.	.	B	Isolated β-bridge	trans	-82.5	162.7	176.8	75.8	-102.8	0	0	0	111.6	F247 A252 L253 S254 M277 T351 T353 H386 L388	F247-F275 HydrophobicContact CD1-CE1 4Å; F247-F275 AromaticContact CD1-CZ 3.6Å; F247-F275 HydrophobicContact CD1-CZ 3.6Å; F247-F275 HydrophobicContact CE1-CE1 4.35Å; F247-F275 AromaticContact CE1-CZ 3.91Å; F247-F275 HydrophobicContact CE1-CZ 3.91Å; F247-F275 HydrophobicContact CG-CZ 4.11Å; A252-F275 HydrophobicContact CB-CD1 4.08Å; A252-F275 HydrophobicContact CB-CE1 3.53Å; A252-F275 HydrophobicContact CB-CZ 4.41Å; A252-F275 WeakPolarHBondContact O-CD1 3.48Å; A252-F275 PolarHBondContact O-N 2.78Å; L253-F275 CarbonylContact C-O 3.56Å; L253-F275 VanDerWaalsContact CA-O 3.29Å; L253-F275 WeakPolarHBondContact CA-O 3.48Å; L253-F275 HydrophobicContact CD2-CD1 4.49Å; L253-F275 HydrophobicContact CD2-CD2 3.79Å; L253-F275 HydrophobicContact CD2-CE1 4.11Å; L253-F275 HydrophobicContact CD2-CE2 3.31Å; L253-F275 HydrophobicContact CD2-CG 4.34Å; L253-F275 HydrophobicContact CD2-CZ 3.5Å; L253-F275 VanDerWaalsContact CD2-CZ 3.5Å; S254-F275 PolarHBondContact N-O 2.8Å; F275-M277 HydrophobicContact CE2-CB 4.08Å; F275-T351 WeakPolarHBondContact CA-O 3.37Å; F275-T351 WeakPolarHBondContact CB-O 3.4Å; F275-T353 HydrophobicContact CB-CG2 4.48Å; F275-H386 HydrophobicContact CB-CB 4.31Å; F275-H386 HydrophobicContact CD2-CB 3.8Å; F275-H386 HydrophobicContact CE2-CB 4.46Å; F275-H386 HydrophobicContact CG-CB 4.3Å; F275-L388 HydrophobicContact CE2-CD2 4.14Å; F275-L388 HydrophobicContact CZ-CD2 4.15Å
276	V	98.8	Very high	98.6	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.066	C	C	.	.			trans	-107	123.3	169.1	176.5	0	0	0	0	108.1	I72 V87 A264 C265 H386	I72-V276 HydrophobicContact CD1-CB 4.14Å; I72-V276 HydrophobicContact CD1-CG1 4.18Å; I72-V276 HydrophobicContact CD1-CG2 4.26Å; I72-V276 HydrophobicContact CG1-CG1 4.04Å; I72-V276 HydrophobicContact CG2-CG1 3.79Å; V87-V276 HydrophobicContact CG2-CG1 4.15Å; V87-V276 HydrophobicContact CG2-CG2 4.02Å; A264-V276 HydrophobicContact CB-CG2 3.65Å; C265-V276 HydrophobicContact CB-CB 4.23Å; C265-V276 HydrophobicContact CB-CG2 3.87Å; V276-H386 PolarHBondContact O-N 2.78Å
277	M	98.8	Very high	98.6	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.064	C	C	.	.	B	Isolated β-bridge	trans	-68.4	134.9	-178.9	-171.9	178.3	-68.4	0	0	110.5	A88 A89 I239 L244 F247 L253 F275 L388	A88-M277 CarbonylContact C-O 3.55Å; A88-M277 VanDerWaalsContact CA-O 3.31Å; A88-M277 WeakPolarHBondContact CA-O 3.48Å; A89-M277 PolarHBondContact N-O 2.89Å; I239-M277 HydrophobicContact CG1-CG 4.16Å; I239-M277 HydrophobicContact CG1-SD 4.23Å; L244-M277 HydrophobicContact CD2-CB 4.07Å; L244-M277 HydrophobicContact CD2-CE 4.15Å; L244-M277 HydrophobicContact CD2-SD 4.04Å; F247-M277 HydrophobicContact CB-CE 4.3Å; F247-M277 HydrophobicContact CD2-CE 3.22Å; F247-M277 HydrophobicContact CE2-CE 3.6Å; F247-M277 HydrophobicContact CG-CE 3.9Å; L253-M277 HydrophobicContact CD2-CB 4.46Å; F275-M277 HydrophobicContact CE2-CB 4.08Å; M277-L388 HydrophobicContact CE-CD1 4.28Å; M277-L388 HydrophobicContact CG-CD1 4.32Å; M277-L388 HydrophobicContact SD-CD1 4.38Å
278	G	98.7	Very high	98.6	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.07	C	C	.	.	B	Isolated β-bridge	trans	-124.9	169.2	171.7	0	0	0	0	0	112.1	A89 H386	A89-G278 WeakPolarHBondContact O-CA 3.4Å; G278-H386 PolarHBondContact N-O 3.06Å
279	E	98.8	Very high	98.6	Very high	17 Å²	17	16.2 Å²	16.2	8%	0.079	8%	0.079	C	C	.	.			trans	-129	161.2	173.3	62.6	177.6	-160.6	0	0	111	P53 A89 V91 R93 M120 E236 I239	P53-E279 VanDerWaalsContact CD-O 3.3Å; P53-E279 WeakPolarHBondContact CD-O 3.48Å; P53-E279 WeakPolarHBondContact CG-O 3.23Å; A89-E279 PolarHBondContact O-N 3.24Å; A89-E279 VanDerWaalsContact O-N 3.11Å; V91-E279 HydrophobicContact CG2-CG 4.06Å; V91-E279 WeakPolarHBondContact CG2-O 3.29Å; V91-E279 PolarHBondContact N-OE1 2.88Å; R93-E279 IonicContact NH2-OE1 2.84Å; M120-E279 HydrophobicContact CE-CG 4.3Å; E236-E279 CarbonylContact O-C 3.56Å; E236-E279 WeakPolarHBondContact O-CA 3.48Å; E236-E279 WeakPolarHBondContact O-CB 3.46Å; I239-E279 HydrophobicContact CD1-CB 3.91Å; I239-E279 HydrophobicContact CD1-CG 3.65Å; I239-E279 HydrophobicContact CG1-CB 4.29Å; I239-E279 HydrophobicContact CG1-CG 4.47Å
280	G	98.8	Very high	98.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149.9	-176.8	178.5	0	0	0	0	0	113.1	V51 T235 E236 A390	V51-G280 CarbonylContact O-C 3.55Å; V51-G280 WeakPolarHBondContact O-CA 3.34Å; T235-G280 WeakPolarHBondContact CA-O 3.31Å; E236-G280 PolarHBondContact N-O 3.36Å; E236-G280 PolarHBondContact O-N 3.07Å; G280-A390 WeakPolarHBondContact O-CB 2.94Å
281	A	98.9	Very high	98.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	147.1	174.2	0	0	0	0	0	110.8	V51 M120 A124 G234	V51-A281 PolarHBondContact N-O 3.09Å; V51-A281 PolarHBondContact O-N 2.88Å; V51-A281 VanDerWaalsContact O-O 3.06Å; M120-A281 HydrophobicContact CB-CB 3.89Å; M120-A281 WeakPolarHBondContact O-CB 3.49Å; A124-A281 HydrophobicContact CB-CB 3.82Å; G234-A281 WeakPolarHBondContact O-CA 3.49Å
282	A	98.9	Very high	98.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	133	171.3	0	0	0	0	0	109.3	G49 L50 G233 G234 A393 I394	G49-A282 WeakPolarHBondContact O-CA 3.43Å; L50-A282 HydrophobicContact CD2-CB 3.61Å; G233-A282 VanDerWaalsContact CA-O 3.29Å; G233-A282 WeakPolarHBondContact CA-O 3.17Å; G234-A282 PolarHBondContact N-O 3.44Å; G234-A282 VanDerWaalsContact N-O 3.08Å; G234-A282 PolarHBondContact O-N 3.35Å; A282-A393 HydrophobicContact CB-CB 3.91Å; A282-I394 HydrophobicContact CB-CB 3.78Å; A282-I394 HydrophobicContact CB-CG1 4.43Å
283	V	99	Very high	98.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	133.8	178.3	-179.4	0	0	0	0	108.8	G49 A124 A125 A128 I149 L231 A232	G49-V283 PolarHBondContact N-O 2.91Å; G49-V283 PolarHBondContact O-N 2.93Å; A124-V283 HydrophobicContact CB-CB 4.31Å; A124-V283 HydrophobicContact CB-CG2 3.79Å; A125-V283 HydrophobicContact CB-CG1 4.42Å; A125-V283 HydrophobicContact CB-CG2 4.28Å; A128-V283 HydrophobicContact CB-CB 4.08Å; A128-V283 HydrophobicContact CB-CG1 3.98Å; A128-V283 WeakPolarHBondContact CB-O 3.47Å; I149-V283 HydrophobicContact CD1-CG1 4.23Å; I149-V283 HydrophobicContact CD1-CG2 3.81Å; L231-V283 HydrophobicContact CB-CG1 4.15Å; L231-V283 HydrophobicContact CG-CG1 4.18Å; A232-V283 CarbonylContact O-C 3.46Å; A232-V283 WeakPolarHBondContact O-CA 3.3Å
284	L	98.9	Very high	98.7	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	138.9	170.9	-61	89.7	0	0	0	108.2	V45 G47 V215 A232 A396	V45-L284 HydrophobicContact CG1-CB 4.32Å; V45-L284 HydrophobicContact CG1-CD2 4.02Å; V45-L284 HydrophobicContact CG2-CD2 4.11Å; G47-L284 CarbonylContact O-C 3.15Å; G47-L284 WeakPolarHBondContact O-CA 3.45Å; V215-L284 HydrophobicContact CG2-CD1 3.93Å; A232-L284 PolarHBondContact N-O 2.93Å; A232-L284 PolarHBondContact O-N 2.99Å; L284-A396 HydrophobicContact CD1-CB 4.44Å; L284-A396 HydrophobicContact CD2-CB 4.47Å
285	V	98.9	Very high	98.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	108.2	164.9	-176.5	0	0	0	0	107	V45 T46 G47 A128 A132 V229 L231	V45-V285 WeakPolarHBondContact CA-O 3.33Å; T46-V285 PolarHBondContact N-O 2.83Å; G47-V285 PolarHBondContact O-N 3.04Å; A128-V285 HydrophobicContact CB-CG2 3.94Å; A128-V285 WeakPolarHBondContact O-CG2 3.3Å; A132-V285 HydrophobicContact CB-CB 3.96Å; A132-V285 HydrophobicContact CB-CG1 4.03Å; A132-V285 HydrophobicContact CB-CG2 3.84Å; V229-V285 HydrophobicContact CG1-CG1 3.8Å; L231-V285 HydrophobicContact CD1-CG2 4.34Å
286	L	98.9	Very high	98.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	140	170.5	-67.8	162.9	0	0	0	108.9	V43 V44 V45 V215 S218 I222 V229 M230 A232 V303	V43-L286 HydrophobicContact CG1-CB 4.1Å; V43-L286 HydrophobicContact CG1-CD2 4.1Å; V44-L286 CarbonylContact O-C 3.55Å; V44-L286 WeakPolarHBondContact O-CA 3.41Å; V45-L286 HydrophobicContact CG2-CD2 3.92Å; V215-L286 HydrophobicContact CG1-CD1 4.25Å; S218-L286 VanDerWaalsContact CB-CD1 3.44Å; I222-L286 HydrophobicContact CD1-CB 3.58Å; I222-L286 WeakPolarHBondContact CD1-O 3.27Å; V229-L286 CarbonylContact C-O 3.6Å; V229-L286 WeakPolarHBondContact CA-O 3.43Å; M230-L286 HydrophobicContact CB-CB 4.39Å; M230-L286 PolarHBondContact N-O 2.98Å; M230-L286 PolarHBondContact O-N 2.92Å; A232-L286 HydrophobicContact CB-CD1 3.57Å; A232-L286 HydrophobicContact CB-CG 4.37Å; L286-V303 HydrophobicContact CD2-CG2 3.48Å; L286-V303 VanDerWaalsContact CD2-CG2 3.48Å
287	E	98.9	Very high	98.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	144.2	-172.2	-169.4	165.8	174	0	0	111.1	V43 V44 T46 D228 V229 H291 A292 R295	V43-E287 WeakPolarHBondContact CA-O 3.45Å; V44-E287 HydrophobicContact CG2-CB 4.5Å; V44-E287 WeakPolarHBondContact CG2-O 3.37Å; V44-E287 PolarHBondContact N-O 2.74Å; V44-E287 PolarHBondContact O-N 2.94Å; T46-E287 WeakPolarHBondContact CB-OE2 3.26Å; T46-E287 HydrophobicContact CG2-CB 3.99Å; T46-E287 VanDerWaalsContact CG2-OE2 3.23Å; T46-E287 WeakPolarHBondContact CG2-OE2 3.29Å; T46-E287 PolarHBondContact OG1-OE2 2.77Å; D228-E287 CarbonylContact O-C 3.34Å; D228-E287 WeakPolarHBondContact O-CA 3.44Å; V229-E287 HydrophobicContact CG2-CG 4.07Å; E287-H291 IonicContact OE1-CE1 2.97Å; E287-H291 PolarHBondContact OE1-CE1 3.19Å; E287-H291 VanDerWaalsContact OE1-CE1 3.29Å; E287-H291 IonicContact OE1-CG 3.51Å; E287-H291 IonicContact OE1-ND1 3.85Å; E287-H291 PolarHBondContact OE1-ND1 3.33Å; E287-A292 HydrophobicContact CB-CB 4.39Å; E287-A292 HydrophobicContact CG-CB 3.91Å; E287-A292 WeakPolarHBondContact OE1-CA 3.43Å; E287-A292 PolarHBondContact OE1-N 3.4Å; E287-R295 WeakPolarHBondContact OE1-CD 3.33Å; E287-R295 IonicContact OE1-CZ 3.15Å; E287-R295 IonicContact OE1-NE 3.38Å; E287-R295 PolarHBondContact OE1-NE 2.77Å; E287-R295 IonicContact OE1-NH2 3.65Å; E287-R295 IonicContact OE2-CZ 2.91Å; E287-R295 IonicContact OE2-NE 3.79Å; E287-R295 PolarHBondContact OE2-NE 3.23Å; E287-R295 IonicContact OE2-NH2 2.7Å; E287-R295 PolarHBondContact OE2-NH2 3.35Å
288	E	98.8	Very high	98.6	Very high	24 Å²	24	34.4 Å²	34.4	11%	0.112	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	134.7	171	-166	-75.6	131.6	0	0	109.8	R41 I222 D228 E290 H291 A292	R41-E288 HydrophobicContact CB-CG 4.06Å; I222-E288 HydrophobicContact CG2-CB 3.78Å; I222-E288 HydrophobicContact CG2-CG 4.32Å; D228-E288 PolarHBondContact O-N 3.29Å; E288-E290 VanDerWaalsContact CD-N 3.3Å; E288-E290 PolarHBondContact O-N 3.48Å; E288-E290 PolarHBondContact OE1-N 2.94Å; E288-E290 WeakPolarHBondContact OE2-CA 3.18Å; E288-E290 WeakPolarHBondContact OE2-CB 3.03Å; E288-E290 PolarHBondContact OE2-N 2.64Å; E288-H291 HydrophobicContact CB-CB 4.09Å; E288-H291 WeakPolarHBondContact O-CB 3.09Å; E288-H291 PolarHBondContact O-N 3.3Å; E288-H291 PolarHBondContact OE2-N 2.98Å; E288-A292 PolarHBondContact O-N 3.45Å
289	Y	98.8	Very high	98.6	Very high	48 Å²	48	35.9 Å²	35.9	19%	0.188	18%	0.183	C	C	.	.	H	α-helix	trans	-58.8	-47.8	-170.1	178.8	-97.6	0	0	0	113.4	R42 V44 A292 V293 I299	R42-Y289 HydrophobicContact CB-CG 4.22Å; R42-Y289 PolarHBondContact O-N 3.33Å; V44-Y289 HydrophobicContact CG1-CD2 3.66Å; V44-Y289 HydrophobicContact CG1-CE2 4.45Å; Y289-A292 PolarHBondContact O-N 3.15Å; Y289-V293 HydrophobicContact CD1-CG2 4.21Å; Y289-V293 HydrophobicContact CE1-CG2 3.78Å; Y289-V293 HydrophobicContact CE2-CG2 4.14Å; Y289-V293 VanDerWaalsContact O-CG2 3.29Å; Y289-V293 WeakPolarHBondContact O-CG2 3.28Å; Y289-V293 PolarHBondContact O-N 2.93Å; Y289-I299 HydrophobicContact CD2-CD1 4.34Å; Y289-I299 HydrophobicContact CE2-CD1 4.09Å
290	E	98.4	Very high	98.7	Very high	96 Å²	96	35.5 Å²	35.5	45%	0.449	18%	0.181	S	C	.	.	H	α-helix	trans	-68.9	-37.1	-179	-62.7	-60.6	151.5	0	0	111.5	E288 V293 Q294	E288-E290 VanDerWaalsContact CD-N 3.3Å; E288-E290 PolarHBondContact O-N 3.48Å; E288-E290 PolarHBondContact OE1-N 2.94Å; E288-E290 WeakPolarHBondContact OE2-CA 3.18Å; E288-E290 WeakPolarHBondContact OE2-CB 3.03Å; E288-E290 PolarHBondContact OE2-N 2.64Å; E290-V293 PolarHBondContact O-N 3.07Å; E290-Q294 WeakPolarHBondContact O-CB 3.36Å; E290-Q294 WeakPolarHBondContact O-CG 3.3Å; E290-Q294 PolarHBondContact O-N 3.09Å
291	H	98.5	Very high	98.7	Very high	42 Å²	42	35.5 Å²	35.5	19%	0.194	18%	0.181	C	C	.	.	H	α-helix	trans	-58.4	-47.6	171.7	-177.4	-79.2	0	0	0	111.4	W134 E287 E288 V293 Q294 R295	W134-H291 AromaticContact NE1-CE1 3.84Å; E287-H291 IonicContact OE1-CE1 2.97Å; E287-H291 PolarHBondContact OE1-CE1 3.19Å; E287-H291 VanDerWaalsContact OE1-CE1 3.29Å; E287-H291 IonicContact OE1-CG 3.51Å; E287-H291 IonicContact OE1-ND1 3.85Å; E287-H291 PolarHBondContact OE1-ND1 3.33Å; E288-H291 HydrophobicContact CB-CB 4.09Å; E288-H291 WeakPolarHBondContact O-CB 3.09Å; E288-H291 PolarHBondContact O-N 3.3Å; E288-H291 PolarHBondContact OE2-N 2.98Å; H291-V293 PolarHBondContact O-N 2.97Å; H291-Q294 PolarHBondContact O-N 3.18Å; H291-R295 PolarHBondContact O-N 3.1Å
292	A	98.7	Very high	98.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.9	-44.4	176.1	0	0	0	0	0	112.2	V44 T46 E287 E288 Y289 R295 G296 A297 I299	V44-A292 HydrophobicContact CG2-CB 3.84Å; T46-A292 HydrophobicContact CG2-CB 3.86Å; E287-A292 HydrophobicContact CB-CB 4.39Å; E287-A292 HydrophobicContact CG-CB 3.91Å; E287-A292 WeakPolarHBondContact OE1-CA 3.43Å; E287-A292 PolarHBondContact OE1-N 3.4Å; E288-A292 PolarHBondContact O-N 3.45Å; Y289-A292 PolarHBondContact O-N 3.15Å; A292-R295 WeakPolarHBondContact O-CG 3.34Å; A292-G296 PolarHBondContact O-N 3Å; A292-A297 HydrophobicContact CB-CB 4.02Å; A292-A297 VanDerWaalsContact O-CB 3.27Å; A292-A297 WeakPolarHBondContact O-CB 3.27Å; A292-A297 PolarHBondContact O-N 2.9Å; A292-I299 HydrophobicContact CB-CD1 4.41Å
293	V	98.5	Very high	98.7	Very high	68 Å²	68	36.2 Å²	36.2	41%	0.412	19%	0.185	S	C	.	.	H	α-helix	trans	-64.3	-45.1	178.5	168.6	0	0	0	0	111.3	Y289 E290 H291 R295 G296 I299	Y289-V293 HydrophobicContact CD1-CG2 4.21Å; Y289-V293 HydrophobicContact CE1-CG2 3.78Å; Y289-V293 HydrophobicContact CE2-CG2 4.14Å; Y289-V293 VanDerWaalsContact O-CG2 3.29Å; Y289-V293 WeakPolarHBondContact O-CG2 3.28Å; Y289-V293 PolarHBondContact O-N 2.93Å; E290-V293 PolarHBondContact O-N 3.07Å; H291-V293 PolarHBondContact O-N 2.97Å; V293-R295 VanDerWaalsContact C-N 3.29Å; V293-R295 PolarHBondContact O-N 3Å; V293-G296 PolarHBondContact O-N 3.41Å; V293-I299 HydrophobicContact CG2-CD1 4.36Å
294	Q	98	Very high	98.6	Very high	158 Å²	158	37.3 Å²	37.3	74%	0.738	19%	0.19	S	C	*	.	H	α-helix	trans	-60.9	-36.6	-177.8	-77.2	170.8	25.2	0	0	112.8	E290 H291 G296	E290-Q294 WeakPolarHBondContact O-CB 3.36Å; E290-Q294 WeakPolarHBondContact O-CG 3.3Å; E290-Q294 PolarHBondContact O-N 3.09Å; H291-Q294 PolarHBondContact O-N 3.18Å; Q294-G296 VanDerWaalsContact C-N 3.34Å
295	R	97.8	Very high	98.6	Very high	78 Å²	78	37.3 Å²	37.3	29%	0.294	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	1.1	176	75.8	176.2	-174	88.9	-1.1	114.3	A132 D133 E287 H291 A292 V293 A297	A132-R295 PolarHBondContact O-NH1 3.09Å; A132-R295 PolarHBondContact O-NH2 3.15Å; D133-R295 PolarHBondContact O-NH1 3.1Å; E287-R295 WeakPolarHBondContact OE1-CD 3.33Å; E287-R295 IonicContact OE1-CZ 3.15Å; E287-R295 IonicContact OE1-NE 3.38Å; E287-R295 PolarHBondContact OE1-NE 2.77Å; E287-R295 IonicContact OE1-NH2 3.65Å; E287-R295 IonicContact OE2-CZ 2.91Å; E287-R295 IonicContact OE2-NE 3.79Å; E287-R295 PolarHBondContact OE2-NE 3.23Å; E287-R295 IonicContact OE2-NH2 2.7Å; E287-R295 PolarHBondContact OE2-NH2 3.35Å; H291-R295 PolarHBondContact O-N 3.1Å; A292-R295 WeakPolarHBondContact O-CG 3.34Å; V293-R295 VanDerWaalsContact C-N 3.29Å; V293-R295 PolarHBondContact O-N 3Å; R295-A297 VanDerWaalsContact C-N 3.35Å; R295-A297 HydrophobicContact CG-CB 4.06Å
296	G	98.1	Very high	98.6	Very high	65 Å²	65	37.5 Å²	37.5	67%	0.67	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.9	31.5	-178.4	0	0	0	0	0	113.9	A292 V293 Q294	A292-G296 PolarHBondContact O-N 3Å; V293-G296 PolarHBondContact O-N 3.41Å; Q294-G296 VanDerWaalsContact C-N 3.34Å
297	A	98.4	Very high	98.6	Very high	16 Å²	16	37.5 Å²	37.5	13%	0.132	19%	0.191	C	C	.	.			trans	-61.7	144.5	-179.9	0	0	0	0	0	111.6	T46 A292 R295 I299	T46-A297 HydrophobicContact CG2-CB 3.85Å; A292-A297 HydrophobicContact CB-CB 4.02Å; A292-A297 VanDerWaalsContact O-CB 3.27Å; A292-A297 WeakPolarHBondContact O-CB 3.27Å; A292-A297 PolarHBondContact O-N 2.9Å; R295-A297 VanDerWaalsContact C-N 3.35Å; R295-A297 HydrophobicContact CG-CB 4.06Å; A297-I299 PolarHBondContact O-N 2.9Å
298	R	98.6	Very high	98.6	Very high	111 Å²	111	41.2 Å²	41.2	42%	0.419	21%	0.211	S	C	.	.			trans	-66.3	133.4	161.5	176.9	179.6	56.8	-157.8	-7.5	108.5	T46 D131 Y300	T46-R298 WeakPolarHBondContact CA-O 3.46Å; D131-R298 PolarHBondContact O-NH2 3.46Å; D131-R298 IonicContact OD1-CZ 3.86Å; D131-R298 IonicContact OD1-NH2 2.7Å; D131-R298 PolarHBondContact OD1-NH2 3.27Å; D131-R298 IonicContact OD2-NH2 3.72Å; D131-R298 PolarHBondContact OD2-NH2 3.5Å; R298-Y300 PolarHBondContact NE-OH 3.32Å; R298-Y300 PolarHBondContact NH2-OH 2.73Å
299	I	98.9	Very high	98.6	Very high	31 Å²	31	41 Å²	41	16%	0.159	21%	0.212	C	C	.	.			trans	-115.4	122	176.9	-49.7	178	0	0	0	110.1	V44 T46 Y289 A292 V293 A297 V460	V44-I299 HydrophobicContact CB-CG2 3.48Å; V44-I299 VanDerWaalsContact CB-CG2 3.48Å; V44-I299 HydrophobicContact CG1-CG2 3.77Å; V44-I299 HydrophobicContact CG2-CD1 4.32Å; V44-I299 HydrophobicContact CG2-CG1 4.41Å; V44-I299 HydrophobicContact CG2-CG2 3.91Å; T46-I299 HydrophobicContact CG2-CG1 4.49Å; Y289-I299 HydrophobicContact CD2-CD1 4.34Å; Y289-I299 HydrophobicContact CE2-CD1 4.09Å; A292-I299 HydrophobicContact CB-CD1 4.41Å; V293-I299 HydrophobicContact CG2-CD1 4.36Å; A297-I299 PolarHBondContact O-N 2.9Å; I299-V460 HydrophobicContact CB-CG2 4.11Å; I299-V460 HydrophobicContact CG2-CG2 3.47Å; I299-V460 VanDerWaalsContact CG2-CG2 3.47Å
300	Y	98.9	Very high	98.6	Very high	8 Å²	8	40.6 Å²	40.6	3%	0.031	22%	0.222	C	C	.	.			trans	-83.1	-49.1	179.1	-72.4	-78	0	0	0	112.8	V45 I48 D131 R298 T400 L401 Y404	V45-Y300 HydrophobicContact CG1-CD2 4.36Å; V45-Y300 PolarHBondContact O-N 3.02Å; I48-Y300 HydrophobicContact CD1-CD2 4.25Å; I48-Y300 HydrophobicContact CD1-CE2 4.39Å; I48-Y300 HydrophobicContact CD1-CG 4.33Å; I48-Y300 HydrophobicContact CG1-CD2 4.34Å; I48-Y300 HydrophobicContact CG1-CE2 4.3Å; D131-Y300 VanDerWaalsContact CG-OH 3.3Å; D131-Y300 PolarHBondContact OD1-OH 2.8Å; D131-Y300 WeakPolarHBondContact OD2-CE2 3.26Å; D131-Y300 PolarHBondContact OD2-OH 3.5Å; R298-Y300 PolarHBondContact NE-OH 3.32Å; R298-Y300 PolarHBondContact NH2-OH 2.73Å; Y300-T400 VanDerWaalsContact CB-CG2 3.44Å; Y300-T400 HydrophobicContact CG-CG2 4.29Å; Y300-L401 HydrophobicContact CD1-CD2 4.43Å; Y300-L401 HydrophobicContact CE1-CD2 4.21Å; Y300-Y404 AromaticContact CD1-CD1 3.91Å; Y300-Y404 HydrophobicContact CD1-CD1 3.91Å; Y300-Y404 AromaticContact CD1-CD2 3.93Å; Y300-Y404 HydrophobicContact CD1-CD2 3.93Å; Y300-Y404 HydrophobicContact CD1-CE1 4.28Å; Y300-Y404 HydrophobicContact CD1-CE2 4.29Å; Y300-Y404 AromaticContact CD1-CG 3.71Å; Y300-Y404 HydrophobicContact CD1-CG 3.71Å; Y300-Y404 HydrophobicContact CE1-CD1 4.22Å; Y300-Y404 HydrophobicContact CE1-CE1 4.31Å; Y300-Y404 HydrophobicContact CE1-CG 4.47Å
301	A	98.9	Very high	98.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	164.1	-177.3	0	0	0	0	0	110.6	V44 V45 T400 C403 F457 A458	V44-A301 CarbonylContact C-O 3.5Å; V44-A301 WeakPolarHBondContact CA-O 3.42Å; V45-A301 PolarHBondContact N-O 2.92Å; A301-T400 HydrophobicContact CB-CG2 3.82Å; A301-C403 HydrophobicContact CB-CB 4.22Å; A301-F457 HydrophobicContact CB-CD1 4.44Å; A301-A458 CarbonylContact C-O 3.56Å; A301-A458 VanDerWaalsContact CA-O 3.3Å; A301-A458 WeakPolarHBondContact CA-O 3.46Å; A301-A458 WeakPolarHBondContact CB-O 3.19Å
302	E	98.9	Very high	98.3	Very high	13 Å²	13	40 Å²	40	6%	0.061	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	137.3	169.4	-167.6	175.9	-176.5	0	0	110.2	R42 V43 V44 L304 R438 F457 A458	R42-E302 IonicContact CZ-OE1 3.73Å; R42-E302 IonicContact CZ-OE2 3.65Å; R42-E302 IonicContact NE-OE1 3.73Å; R42-E302 PolarHBondContact NE-OE1 3.33Å; R42-E302 IonicContact NE-OE2 2.66Å; R42-E302 IonicContact NH2-OE1 3.03Å; R42-E302 PolarHBondContact NH2-OE1 2.93Å; R42-E302 IonicContact NH2-OE2 3.37Å; R42-E302 PolarHBondContact NH2-OE2 3.41Å; V43-E302 WeakPolarHBondContact O-CG 3.3Å; V44-E302 HydrophobicContact CG1-CB 4.23Å; V44-E302 HydrophobicContact CG1-CG 4.18Å; E302-L304 HydrophobicContact CB-CD2 4.07Å; E302-L304 HydrophobicContact CG-CD2 3.7Å; E302-R438 IonicContact OE2-CZ 3.5Å; E302-R438 IonicContact OE2-NH1 3.29Å; E302-R438 PolarHBondContact OE2-NH1 3.32Å; E302-R438 IonicContact OE2-NH2 2.78Å; E302-R438 PolarHBondContact OE2-NH2 2.95Å; E302-F457 CarbonylContact O-C 3.52Å; E302-F457 WeakPolarHBondContact O-CA 3.28Å; E302-A458 PolarHBondContact N-O 2.96Å; E302-A458 PolarHBondContact O-N 3.29Å
303	V	98.9	Very high	97.9	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.018	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	109.6	169.1	-169.1	0	0	0	0	107.8	V43 V45 F219 L286 F457	V43-V303 PolarHBondContact O-N 3.12Å; V45-V303 HydrophobicContact CG2-CG2 4.19Å; F219-V303 HydrophobicContact CB-CG1 4.06Å; F219-V303 HydrophobicContact CD1-CG1 4.17Å; F219-V303 HydrophobicContact CD2-CB 3.93Å; F219-V303 HydrophobicContact CD2-CG1 3.85Å; F219-V303 HydrophobicContact CE2-CB 4.29Å; F219-V303 HydrophobicContact CE2-CG1 4.25Å; F219-V303 VanDerWaalsContact CE2-O 3.22Å; F219-V303 WeakPolarHBondContact CE2-O 3.26Å; F219-V303 HydrophobicContact CG-CB 4.33Å; F219-V303 HydrophobicContact CG-CG1 3.78Å; L286-V303 HydrophobicContact CD2-CG2 3.48Å; L286-V303 VanDerWaalsContact CD2-CG2 3.48Å; V303-F457 HydrophobicContact CB-CE1 4.49Å; V303-F457 HydrophobicContact CG2-CD1 4.02Å; V303-F457 HydrophobicContact CG2-CE1 3.58Å; V303-F457 HydrophobicContact CG2-CZ 4.36Å
304	L	98.6	Very high	97.7	Very high	22 Å²	22	44.7 Å²	44.7	12%	0.115	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-37.7	-174.9	-58.3	-175.3	0	0	0	112.6	E302 S336 I338 I440 C456 A458	E302-L304 HydrophobicContact CB-CD2 4.07Å; E302-L304 HydrophobicContact CG-CD2 3.7Å; L304-S336 VanDerWaalsContact O-CA 3.28Å; L304-S336 WeakPolarHBondContact O-CA 3.28Å; L304-I338 HydrophobicContact CD1-CG2 4.22Å; L304-I440 HydrophobicContact CD1-CG2 4.42Å; L304-C456 HydrophobicContact CB-CB 4.48Å; L304-C456 PolarHBondContact N-O 2.93Å; L304-A458 HydrophobicContact CD1-CB 3.47Å; L304-A458 VanDerWaalsContact CD1-CB 3.47Å; L304-A458 HydrophobicContact CD2-CB 4.44Å; L304-A458 HydrophobicContact CG-CB 3.93Å
305	G	98.7	Very high	97.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	155.1	-169.9	0	0	0	0	0	114.1	C456	G305-C456 PolarHBondContact N-O 2.96Å; G305-C456 PolarHBondContact O-N 3.45Å
306	Y	98.9	Very high	97.1	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.016	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	121.1	-179.3	171	-144	0	0	0	109.9	H213 G216 D217 R220 L308 D335 A453 L455	H213-Y306 WeakPolarHBondContact CA-OH 3.29Å; H213-Y306 AromaticContact CD2-CE2 3.98Å; H213-Y306 AromaticContact CD2-CZ 3.91Å; H213-Y306 PolarHBondContact CD2-OH 3.15Å; H213-Y306 PolarHBondContact O-OH 3.47Å; G216-Y306 VanDerWaalsContact CA-CD1 3.49Å; G216-Y306 WeakPolarHBondContact O-CD1 3.5Å; D217-Y306 VanDerWaalsContact OD1-CE1 3.26Å; D217-Y306 WeakPolarHBondContact OD1-CE1 3.03Å; D217-Y306 PolarHBondContact OD1-OH 2.76Å; R220-Y306 HydrophobicContact CG-CD1 4.01Å; R220-Y306 HydrophobicContact CG-CE1 4.48Å; R220-Y306 PolarHBondContact NH2-O 3.33Å; Y306-L308 HydrophobicContact CD1-CD1 3.95Å; Y306-L308 HydrophobicContact CD2-CD1 4.06Å; Y306-L308 HydrophobicContact CD2-CG 4.4Å; Y306-L308 HydrophobicContact CE1-CD1 3.64Å; Y306-L308 HydrophobicContact CE1-CD2 4.33Å; Y306-L308 HydrophobicContact CE1-CG 4.24Å; Y306-L308 HydrophobicContact CE2-CD1 3.74Å; Y306-L308 HydrophobicContact CE2-CD2 4.26Å; Y306-L308 HydrophobicContact CE2-CG 3.7Å; Y306-L308 HydrophobicContact CG-CD1 4.17Å; Y306-L308 WeakPolarHBondContact OH-CD2 3.12Å; Y306-D335 PolarHBondContact N-OD2 2.97Å; Y306-A453 HydrophobicContact CE2-CB 4.24Å; Y306-L455 HydrophobicContact CD2-CD2 3.62Å; Y306-L455 HydrophobicContact CE2-CD2 4.31Å; Y306-L455 HydrophobicContact CG-CD2 4.05Å
307	G	98.9	Very high	96.8	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.01	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	137.6	-178.9	0	0	0	0	0	111.6	C328 A453 S454	G307-C328 WeakPolarHBondContact CA-O 3.49Å; G307-A453 CarbonylContact O-C 3.59Å; G307-A453 WeakPolarHBondContact O-CA 3.28Å; G307-S454 PolarHBondContact N-O 3.48Å; G307-S454 PolarHBondContact O-N 2.93Å
308	L	98.8	Very high	96.5	Very high	78 Å²	78	42.1 Å²	42.1	41%	0.408	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	150.5	178.9	-52.1	83.4	0	0	0	110.2	Y306 N452	Y306-L308 HydrophobicContact CD1-CD1 3.95Å; Y306-L308 HydrophobicContact CD2-CD1 4.06Å; Y306-L308 HydrophobicContact CD2-CG 4.4Å; Y306-L308 HydrophobicContact CE1-CD1 3.64Å; Y306-L308 HydrophobicContact CE1-CD2 4.33Å; Y306-L308 HydrophobicContact CE1-CG 4.24Å; Y306-L308 HydrophobicContact CE2-CD1 3.74Å; Y306-L308 HydrophobicContact CE2-CD2 4.26Å; Y306-L308 HydrophobicContact CE2-CG 3.7Å; Y306-L308 HydrophobicContact CG-CD1 4.17Å; Y306-L308 WeakPolarHBondContact OH-CD2 3.12Å; L308-N452 CarbonylContact C-O 3.55Å; L308-N452 VanDerWaalsContact CA-O 3.3Å; L308-N452 WeakPolarHBondContact CA-O 3.44Å
309	S	98.8	Very high	96.2	Very high	18 Å²	18	38.3 Å²	38.3	13%	0.126	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	165.4	169.7	90.1	0	0	0	0	111.5	G324 N452	S309-G324 VanDerWaalsContact OG-CA 3.29Å; S309-G324 WeakPolarHBondContact OG-CA 3.19Å; S309-G324 PolarHBondContact OG-O 2.89Å; S309-N452 PolarHBondContact N-O 3.45Å; S309-N452 PolarHBondContact O-N 3.3Å; S309-N452 WeakPolarHBondContact OG-CB 3.32Å; S309-N452 PolarHBondContact OG-ND2 3.49Å
310	G	98.3	Very high	95.7	Very high	40 Å²	40	41.9 Å²	41.9	41%	0.412	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	142.8	166.3	0	0	0	0	0	111.1	R327 G450	G310-R327 PolarHBondContact O-NH1 3.26Å; G310-R327 PolarHBondContact O-NH2 2.94Å; G310-G450 CarbonylContact C-O 3.57Å; G310-G450 VanDerWaalsContact CA-O 3.24Å; G310-G450 WeakPolarHBondContact CA-O 3.39Å
311	D	96.6	Very high	95.3	Very high	19 Å²	19	47.1 Å²	47.1	10%	0.102	29%	0.288	C	S	.	.			trans	-76.2	-38.4	174.5	-78.6	1.3	0	0	0	112	C313 N319 G324 G450 N452	D311-C313 PolarHBondContact O-N 2.89Å; D311-N319 HydrophobicContact CB-CB 4.47Å; D311-N319 PolarHBondContact OD2-N 3.08Å; D311-N319 VanDerWaalsContact OD2-N 3.11Å; D311-G324 VanDerWaalsContact OD1-CA 3.23Å; D311-G324 WeakPolarHBondContact OD1-CA 3.1Å; D311-G450 PolarHBondContact N-O 3.15Å; D311-N452 PolarHBondContact OD1-ND2 2.75Å
312	A	94.9	Very high	95.1	Very high	108 Å²	108	47.3 Å²	47.3	89%	0.893	29%	0.29	S	S	*	.			trans	52.4	32.7	-176	0	0	0	0	0	114.4
313	C	89.7	Confident	95.1	Very high	66 Å²	66	48.9 Å²	48.9	45%	0.446	30%	0.298	S	S	.	.	S	Bend	trans	-113.9	-49.9	-176.6	67	0	0	0	0	114.3	D311	D311-C313 PolarHBondContact O-N 2.89Å
314	H	95	Very high	95	Very high	99 Å²	99	48.7 Å²	48.7	46%	0.458	30%	0.298	S	S	.	.			trans	-155	154.9	-173.7	-172.6	-90.5	0	0	0	110.8	T316 A317	H314-T316 PolarHBondContact CE1-OG1 3.43Å; H314-T316 VanDerWaalsContact CE1-OG1 3.24Å; H314-T316 PolarHBondContact ND1-N 2.87Å; H314-T316 VanDerWaalsContact ND1-N 3.12Å; H314-T316 PolarHBondContact ND1-OG1 3.27Å; H314-T316 PolarHBondContact O-N 3.26Å; H314-A317 HydrophobicContact CB-CB 4.29Å; H314-A317 WeakPolarHBondContact ND1-CB 3.46Å; H314-A317 PolarHBondContact ND1-N 2.88Å
315	I	91.7	Very high	95	Very high	128 Å²	128	47.9 Å²	47.9	66%	0.656	29%	0.294	S	S	*	.	S	Bend	trans	-72.3	-23.9	-174	57.1	164.2	0	0	0	114.2	G449	I315-G449 PolarHBondContact O-N 3.13Å
316	T	91.3	Very high	95	Very high	59 Å²	59	50.6 Å²	50.6	36%	0.362	31%	0.306	S	S	.	.	S	Bend	trans	-134.9	-49.7	-177.6	56.1	0	0	0	0	113.8	H314 F448	H314-T316 PolarHBondContact CE1-OG1 3.43Å; H314-T316 VanDerWaalsContact CE1-OG1 3.24Å; H314-T316 PolarHBondContact ND1-N 2.87Å; H314-T316 VanDerWaalsContact ND1-N 3.12Å; H314-T316 PolarHBondContact ND1-OG1 3.27Å; H314-T316 PolarHBondContact O-N 3.26Å; T316-F448 HydrophobicContact CG2-CD2 3.85Å; T316-F448 HydrophobicContact CG2-CE2 3.9Å; T316-F448 HydrophobicContact CG2-CG 4.18Å; T316-F448 HydrophobicContact CG2-CZ 4.28Å
317	A	91.5	Very high	95	Very high	35 Å²	35	54.9 Å²	54.9	29%	0.289	32%	0.322	S	S	.	.	S	Bend	trans	-60.6	134.1	173.4	0	0	0	0	0	112.2	H314	H314-A317 HydrophobicContact CB-CB 4.29Å; H314-A317 WeakPolarHBondContact ND1-CB 3.46Å; H314-A317 PolarHBondContact ND1-N 2.88Å
318	P	91.6	Very high	95	Very high	41 Å²	41	54.8 Å²	54.8	27%	0.266	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-71.5	163.7	175.9	32.8	-36.6	0	0	0	110.9	P320 L355 A359	P318-P320 WeakPolarHBondContact O-CD 3.13Å; P318-L355 HydrophobicContact CG-CB 4.02Å; P318-A359 HydrophobicContact CB-CB 4.43Å; P318-A359 HydrophobicContact CG-CB 4.4Å
319	N	91.6	Very high	95	Very high	31 Å²	31	51.1 Å²	51.1	17%	0.166	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-59.4	124	165.6	-175.1	-63.8	0	0	0	110.1	D311 E321 G322 A359	D311-N319 HydrophobicContact CB-CB 4.47Å; D311-N319 PolarHBondContact OD2-N 3.08Å; D311-N319 VanDerWaalsContact OD2-N 3.11Å; N319-E321 PolarHBondContact O-N 3.05Å; N319-E321 VanDerWaalsContact O-N 3.15Å; N319-E321 PolarHBondContact OD1-N 3.03Å; N319-G322 PolarHBondContact O-N 3.24Å; N319-A359 WeakPolarHBondContact O-CB 3.12Å
320	P	89.1	Confident	95	Very high	107 Å²	107	51.8 Å²	51.8	70%	0.695	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-27.3	-175.9	-26.5	35	0	0	0	115	P318 G322 Q362	P318-P320 WeakPolarHBondContact O-CD 3.13Å; P320-G322 VanDerWaalsContact C-N 3.33Å; P320-Q362 PolarHBondContact O-OE1 2.86Å
321	E	90.4	Very high	95	Very high	118 Å²	118	50.6 Å²	50.6	55%	0.551	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	0.7	178.5	-57.7	-171.5	158	0	0	113	N319 D323 R366	N319-E321 PolarHBondContact O-N 3.05Å; N319-E321 VanDerWaalsContact O-N 3.15Å; N319-E321 PolarHBondContact OD1-N 3.03Å; E321-D323 VanDerWaalsContact C-N 3.26Å; E321-D323 PolarHBondContact O-N 2.87Å; E321-R366 PolarHBondContact O-NH1 3.28Å
322	G	95.8	Very high	95.2	Very high	3 Å²	3	49.7 Å²	49.7	3%	0.031	29%	0.288	C	S	.	.			trans	64.2	27.8	-176.7	0	0	0	0	0	113.6	N319 P320 G324 A325 F326 A363	N319-G322 PolarHBondContact O-N 3.24Å; P320-G322 VanDerWaalsContact C-N 3.33Å; G322-G324 PolarHBondContact O-N 2.88Å; G322-A325 WeakPolarHBondContact O-CB 3.37Å; G322-A325 PolarHBondContact O-N 3.11Å; G322-F326 PolarHBondContact O-N 2.8Å; G322-A363 WeakPolarHBondContact O-CB 3.48Å
323	D	97.9	Very high	95.3	Very high	46 Å²	46	45 Å²	45	25%	0.246	25%	0.248	C	C	.	.	H	α-helix	trans	-62.8	-44.6	-170.3	-179	65.9	0	0	0	114.1	E321 F326 R327 R366	E321-D323 VanDerWaalsContact C-N 3.26Å; E321-D323 PolarHBondContact O-N 2.87Å; D323-F326 PolarHBondContact O-N 3.33Å; D323-R327 PolarHBondContact O-N 3.49Å; D323-R327 IonicContact OD2-CZ 3.95Å; D323-R327 VanDerWaalsContact OD2-CZ 3.3Å; D323-R327 IonicContact OD2-NE 3.86Å; D323-R327 PolarHBondContact OD2-NE 2.83Å; D323-R327 IonicContact OD2-NH2 2.69Å; D323-R327 PolarHBondContact OD2-NH2 2.82Å; D323-R366 IonicContact OD1-CZ 3.67Å; D323-R366 IonicContact OD1-NH1 2.9Å; D323-R366 IonicContact OD1-NH2 2.66Å; D323-R366 PolarHBondContact OD1-NH2 3.15Å
324	G	98	Very high	95.8	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.7	-40	176.8	0	0	0	0	0	112.6	S309 D311 G322 F326 R327 C328 N452	S309-G324 VanDerWaalsContact OG-CA 3.29Å; S309-G324 WeakPolarHBondContact OG-CA 3.19Å; S309-G324 PolarHBondContact OG-O 2.89Å; D311-G324 VanDerWaalsContact OD1-CA 3.23Å; D311-G324 WeakPolarHBondContact OD1-CA 3.1Å; G322-G324 PolarHBondContact O-N 2.88Å; G324-F326 PolarHBondContact O-N 2.84Å; G324-R327 PolarHBondContact O-N 3.01Å; G324-C328 PolarHBondContact O-N 3.44Å; G324-C328 PolarHBondContact O-SG 3.03Å; G324-N452 WeakPolarHBondContact CA-ND2 3.44Å
325	A	98.4	Very high	95.9	Very high	5 Å²	5	48.1 Å²	48.1	4%	0.041	25%	0.249	C	C	.	.	H	α-helix	trans	-58.4	-45.5	173.1	0	0	0	0	0	111.8	G322 R327 C328 M329 A363 F446	G322-A325 WeakPolarHBondContact O-CB 3.37Å; G322-A325 PolarHBondContact O-N 3.11Å; A325-R327 PolarHBondContact O-N 3.29Å; A325-C328 PolarHBondContact O-N 3.26Å; A325-C328 PolarHBondContact O-SG 3.34Å; A325-M329 WeakPolarHBondContact O-CB 3.39Å; A325-M329 WeakPolarHBondContact O-CE 3.46Å; A325-M329 WeakPolarHBondContact O-CG 3.32Å; A325-M329 PolarHBondContact O-N 2.82Å; A325-M329 VanDerWaalsContact O-N 3.09Å; A325-A363 HydrophobicContact CB-CB 3.77Å; A325-F446 HydrophobicContact CB-CD1 4.33Å; A325-F446 HydrophobicContact CB-CD2 4.17Å; A325-F446 HydrophobicContact CB-CE1 3.84Å; A325-F446 HydrophobicContact CB-CE2 3.59Å; A325-F446 HydrophobicContact CB-CZ 3.41Å; A325-F446 VanDerWaalsContact CB-CZ 3.41Å
326	F	98.7	Very high	96.2	Very high	56 Å²	56	43 Å²	43	25%	0.246	23%	0.225	C	C	.	.	H	α-helix	trans	-60.4	-45	174.3	169.9	-87.6	0	0	0	111.8	G322 D323 G324 S330 A363 R366 L367	G322-F326 PolarHBondContact O-N 2.8Å; D323-F326 PolarHBondContact O-N 3.33Å; G324-F326 PolarHBondContact O-N 2.84Å; F326-S330 VanDerWaalsContact O-CB 3.26Å; F326-S330 WeakPolarHBondContact O-CB 3.3Å; F326-S330 PolarHBondContact O-N 3.26Å; F326-S330 PolarHBondContact O-OG 3.23Å; F326-A363 HydrophobicContact CB-CB 4.2Å; F326-R366 HydrophobicContact CD2-CB 4.16Å; F326-R366 HydrophobicContact CD2-CG 3.97Å; F326-R366 VanDerWaalsContact CD2-NE 3.28Å; F326-R366 HydrophobicContact CE2-CB 4.46Å; F326-R366 HydrophobicContact CE2-CG 3.95Å; F326-L367 HydrophobicContact CD2-CB 3.89Å; F326-L367 HydrophobicContact CD2-CD1 4.28Å; F326-L367 HydrophobicContact CE2-CB 4.09Å; F326-L367 HydrophobicContact CE2-CD1 3.98Å
327	R	98.7	Very high	96.5	Very high	94 Å²	94	43.7 Å²	43.7	36%	0.355	24%	0.243	S	C	.	.	H	α-helix	trans	-66.4	-40.3	-178.9	-79.2	-173.2	-74.7	110.5	2.5	112.6	G310 D323 G324 A325 A331	G310-R327 PolarHBondContact O-NH1 3.26Å; G310-R327 PolarHBondContact O-NH2 2.94Å; D323-R327 PolarHBondContact O-N 3.49Å; D323-R327 IonicContact OD2-CZ 3.95Å; D323-R327 VanDerWaalsContact OD2-CZ 3.3Å; D323-R327 IonicContact OD2-NE 3.86Å; D323-R327 PolarHBondContact OD2-NE 2.83Å; D323-R327 IonicContact OD2-NH2 2.69Å; D323-R327 PolarHBondContact OD2-NH2 2.82Å; G324-R327 PolarHBondContact O-N 3.01Å; A325-R327 PolarHBondContact O-N 3.29Å; R327-A331 VanDerWaalsContact O-CB 3.29Å; R327-A331 WeakPolarHBondContact O-CB 3.4Å; R327-A331 PolarHBondContact O-N 3.3Å
328	C	98.6	Very high	96.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-70.7	-42	179.3	69.1	0	0	0	0	111.4	G307 G324 A325 S330 A331 A332 F446 N452 S454	G307-C328 WeakPolarHBondContact CA-O 3.49Å; G324-C328 PolarHBondContact O-N 3.44Å; G324-C328 PolarHBondContact O-SG 3.03Å; A325-C328 PolarHBondContact O-N 3.26Å; A325-C328 PolarHBondContact O-SG 3.34Å; C328-S330 PolarHBondContact O-N 3.43Å; C328-A331 PolarHBondContact O-N 2.68Å; C328-A332 PolarHBondContact O-N 3.38Å; C328-F446 VanDerWaalsContact SG-CE1 3.5Å; C328-N452 HydrophobicContact CB-CB 4.02Å; C328-S454 PolarHBondContact SG-OG 2.93Å
329	M	98.9	Very high	97	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61.1	-46	173.3	-72.1	-171.1	-72.6	0	0	111.2	A325 A331 A332 I333 A363 I364 L367 L442 N444 S454	A325-M329 WeakPolarHBondContact O-CB 3.39Å; A325-M329 WeakPolarHBondContact O-CE 3.46Å; A325-M329 WeakPolarHBondContact O-CG 3.32Å; A325-M329 PolarHBondContact O-N 2.82Å; A325-M329 VanDerWaalsContact O-N 3.09Å; M329-A331 VanDerWaalsContact C-N 3.27Å; M329-A331 PolarHBondContact O-N 3.01Å; M329-A332 PolarHBondContact O-N 2.93Å; M329-I333 WeakPolarHBondContact O-CG1 3.44Å; M329-I333 PolarHBondContact O-N 2.86Å; M329-A363 HydrophobicContact CE-CB 3.76Å; M329-I364 HydrophobicContact CE-CG1 3.98Å; M329-I364 HydrophobicContact SD-CG1 4.06Å; M329-L367 HydrophobicContact CB-CD2 3.38Å; M329-L367 HydrophobicContact CE-CD2 4.08Å; M329-L367 HydrophobicContact CG-CD2 4.29Å; M329-L367 HydrophobicContact SD-CD2 4.01Å; M329-L442 HydrophobicContact CB-CD1 4.04Å; M329-L442 HydrophobicContact CG-CD1 4.03Å; M329-L442 HydrophobicContact SD-CD1 4.18Å; M329-N444 WeakPolarHBondContact CG-OD1 3.34Å; M329-N444 PolarHBondContact SD-ND2 2.92Å; M329-S454 VanDerWaalsContact CG-OG 3.23Å; M329-S454 WeakPolarHBondContact CG-OG 3.22Å; M329-S454 PolarHBondContact N-OG 2.82Å
330	S	98.8	Very high	97.3	Very high	32 Å²	32	48.7 Å²	48.7	22%	0.224	26%	0.258	C	S	.	.	H	α-helix	trans	-58.5	-39.2	175.3	-60.2	0	0	0	0	112.3	F326 C328 R334 L367	F326-S330 VanDerWaalsContact O-CB 3.26Å; F326-S330 WeakPolarHBondContact O-CB 3.3Å; F326-S330 PolarHBondContact O-N 3.26Å; F326-S330 PolarHBondContact O-OG 3.23Å; C328-S330 PolarHBondContact O-N 3.43Å; S330-R334 WeakPolarHBondContact O-CB 3.14Å; S330-R334 PolarHBondContact O-N 2.99Å; S330-L367 WeakPolarHBondContact OG-CD1 3.31Å
331	A	98.9	Very high	97.7	Very high	15 Å²	15	48.4 Å²	48.4	12%	0.124	25%	0.247	C	C	.	.	H	α-helix	trans	-68.4	-39.1	177.5	0	0	0	0	0	112.1	R327 C328 M329 R334 D335	R327-A331 VanDerWaalsContact O-CB 3.29Å; R327-A331 WeakPolarHBondContact O-CB 3.4Å; R327-A331 PolarHBondContact O-N 3.3Å; C328-A331 PolarHBondContact O-N 2.68Å; M329-A331 VanDerWaalsContact C-N 3.27Å; M329-A331 PolarHBondContact O-N 3.01Å; A331-R334 PolarHBondContact O-N 3.02Å; A331-D335 WeakPolarHBondContact O-CB 3.35Å; A331-D335 PolarHBondContact O-N 2.89Å
332	A	98.9	Very high	98.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.6	-44.2	176.4	0	0	0	0	0	111.6	C328 M329 R334 D335 S336 L442 S454	C328-A332 PolarHBondContact O-N 3.38Å; M329-A332 PolarHBondContact O-N 2.93Å; A332-R334 PolarHBondContact O-N 2.7Å; A332-D335 PolarHBondContact O-N 2.87Å; A332-S336 PolarHBondContact O-N 3.5Å; A332-S336 PolarHBondContact O-OG 3.14Å; A332-L442 HydrophobicContact CB-CD2 4.3Å; A332-S454 WeakPolarHBondContact CB-O 3.43Å
333	I	98.8	Very high	98.2	Very high	9 Å²	9	44.7 Å²	44.7	5%	0.046	23%	0.231	C	C	.	.	H	α-helix	trans	-59	-49	174.5	-66.3	171.1	0	0	0	110.2	M329 D335 S336 G337 I338 P340 I343 L367 F368 L442	M329-I333 WeakPolarHBondContact O-CG1 3.44Å; M329-I333 PolarHBondContact O-N 2.86Å; I333-D335 VanDerWaalsContact C-N 3.34Å; I333-D335 PolarHBondContact O-N 2.64Å; I333-S336 WeakPolarHBondContact CA-OG 3.49Å; I333-S336 PolarHBondContact O-N 3.35Å; I333-S336 PolarHBondContact O-OG 2.87Å; I333-G337 PolarHBondContact O-N 2.85Å; I333-I338 HydrophobicContact CG2-CG1 4.12Å; I333-I338 WeakPolarHBondContact CG2-O 3.18Å; I333-P340 HydrophobicContact CD1-CB 4.3Å; I333-P340 HydrophobicContact CD1-CG 4.3Å; I333-P340 HydrophobicContact CG2-CG 4.29Å; I333-I343 HydrophobicContact CD1-CD1 3.61Å; I333-I343 HydrophobicContact CG1-CD1 3.46Å; I333-I343 VanDerWaalsContact CG1-CD1 3.46Å; I333-L367 HydrophobicContact CD1-CD1 4.27Å; I333-L367 HydrophobicContact CD1-CD2 3.84Å; I333-L367 HydrophobicContact CD1-CG 4.27Å; I333-F368 HydrophobicContact CD1-CE1 4.41Å; I333-F368 HydrophobicContact CD1-CZ 4.5Å; I333-L442 HydrophobicContact CD1-CD1 4.35Å; I333-L442 HydrophobicContact CG1-CD1 4.4Å
334	R	98.6	Very high	98.2	Very high	192 Å²	192	43.7 Å²	43.7	73%	0.725	23%	0.226	S	C	*	.	H	α-helix	trans	-61.3	-41.2	177.5	179.7	176.5	54.5	-152.1	-8.4	112.4	S330 A331 A332 S336 G337	S330-R334 WeakPolarHBondContact O-CB 3.14Å; S330-R334 PolarHBondContact O-N 2.99Å; A331-R334 PolarHBondContact O-N 3.02Å; A332-R334 PolarHBondContact O-N 2.7Å; R334-S336 VanDerWaalsContact C-N 3.27Å; R334-S336 PolarHBondContact O-N 2.69Å; R334-G337 PolarHBondContact O-N 3.48Å
335	D	98.6	Very high	98.2	Very high	40 Å²	40	43.7 Å²	43.7	21%	0.214	23%	0.226	C	C	.	.	H	α-helix	trans	-63.7	-34.2	178	-166.4	35.9	0	0	0	111.9	R40 R220 Y306 A331 A332 I333	R40-D335 IonicContact CZ-OD1 2.73Å; R40-D335 IonicContact CZ-OD2 3.98Å; R40-D335 PolarHBondContact NH1-O 3.11Å; R40-D335 IonicContact NH1-OD1 3.17Å; R40-D335 PolarHBondContact NH1-OD1 3.48Å; R40-D335 IonicContact NH1-OD2 3.32Å; R40-D335 IonicContact NH2-OD1 3.69Å; R40-D335 PolarHBondContact NH2-OD1 3.27Å; R40-D335 VanDerWaalsContact NH2-OD1 3.15Å; R40-D335 IonicContact NH2-OD2 2.87Å; R40-D335 PolarHBondContact NH2-OD2 3.03Å; R220-D335 IonicContact CZ-OD2 2.75Å; R220-D335 IonicContact NE-OD2 3.87Å; R220-D335 IonicContact NH2-OD1 2.71Å; R220-D335 IonicContact NH2-OD2 2.98Å; R220-D335 PolarHBondContact NH2-OD2 2.97Å; Y306-D335 PolarHBondContact N-OD2 2.97Å; A331-D335 WeakPolarHBondContact O-CB 3.35Å; A331-D335 PolarHBondContact O-N 2.89Å; A332-D335 PolarHBondContact O-N 2.87Å; I333-D335 VanDerWaalsContact C-N 3.34Å; I333-D335 PolarHBondContact O-N 2.64Å
336	S	97.9	Very high	98.3	Very high	21 Å²	21	43.4 Å²	43.4	15%	0.147	22%	0.224	C	C	.	.	H	α-helix	trans	-77.5	-14.2	177.1	65.2	0	0	0	0	115.5	L304 A332 I333 R334 I338	L304-S336 VanDerWaalsContact O-CA 3.28Å; L304-S336 WeakPolarHBondContact O-CA 3.28Å; A332-S336 PolarHBondContact O-N 3.5Å; A332-S336 PolarHBondContact O-OG 3.14Å; I333-S336 WeakPolarHBondContact CA-OG 3.49Å; I333-S336 PolarHBondContact O-N 3.35Å; I333-S336 PolarHBondContact O-OG 2.87Å; R334-S336 VanDerWaalsContact C-N 3.27Å; R334-S336 PolarHBondContact O-N 2.69Å; S336-I338 PolarHBondContact O-N 3.33Å; S336-I338 WeakPolarHBondContact OG-CD1 3.45Å; S336-I338 VanDerWaalsContact OG-CG1 3.24Å; S336-I338 WeakPolarHBondContact OG-CG1 3.47Å
337	G	96.9	Very high	98.3	Very high	72 Å²	72	40.8 Å²	40.8	74%	0.742	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	69	9.8	-177.5	0	0	0	0	0	115.2	I333 R334	I333-G337 PolarHBondContact O-N 2.85Å; R334-G337 PolarHBondContact O-N 3.48Å
338	I	97.4	Very high	98.3	Very high	35 Å²	35	36.3 Å²	36.3	18%	0.179	20%	0.195	C	C	.	.			trans	-91.8	174.3	176	77.2	-170.8	0	0	0	111.3	L304 I333 S336 D342 I343 I440	L304-I338 HydrophobicContact CD1-CG2 4.22Å; I333-I338 HydrophobicContact CG2-CG1 4.12Å; I333-I338 WeakPolarHBondContact CG2-O 3.18Å; S336-I338 PolarHBondContact O-N 3.33Å; S336-I338 WeakPolarHBondContact OG-CD1 3.45Å; S336-I338 VanDerWaalsContact OG-CG1 3.24Å; S336-I338 WeakPolarHBondContact OG-CG1 3.47Å; I338-D342 HydrophobicContact CB-CB 4.47Å; I338-I343 HydrophobicContact CD1-CD1 4.09Å; I338-I343 HydrophobicContact CD1-CG1 3.87Å; I338-I440 HydrophobicContact CD1-CD1 4.3Å; I338-I440 HydrophobicContact CD1-CG2 3.68Å; I338-I440 HydrophobicContact CG2-CD1 4.39Å
339	K	97.2	Very high	98.3	Very high	140 Å²	140	37 Å²	37	61%	0.609	20%	0.199	S	C	*	.			trans	-98.8	153.6	171.3	-54.8	179.5	-179.1	174.6	0	111.1	E341 D342	K339-E341 VanDerWaalsContact CB-OE2 3.24Å; K339-E341 WeakPolarHBondContact CB-OE2 3.33Å; K339-E341 PolarHBondContact O-N 2.85Å; K339-E341 VanDerWaalsContact O-N 3.12Å; K339-D342 PolarHBondContact N-OD2 3.23Å; K339-D342 WeakPolarHBondContact O-CB 3.41Å; K339-D342 PolarHBondContact O-N 3.44Å
340	P	97.6	Very high	98.3	Very high	37 Å²	37	37 Å²	37	24%	0.24	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-52.4	-33.5	174.6	-26.3	34.9	0	0	0	113.7	I333 D342 I343 F368	I333-P340 HydrophobicContact CD1-CB 4.3Å; I333-P340 HydrophobicContact CD1-CG 4.3Å; I333-P340 HydrophobicContact CG2-CG 4.29Å; P340-D342 PolarHBondContact O-N 2.85Å; P340-I343 PolarHBondContact O-N 3.34Å; P340-F368 HydrophobicContact CB-CD1 4.04Å; P340-F368 HydrophobicContact CB-CE1 4.15Å; P340-F368 VanDerWaalsContact O-CE1 3.31Å; P340-F368 WeakPolarHBondContact O-CE1 3.37Å
341	E	97.2	Very high	98.3	Very high	101 Å²	101	36 Å²	36	47%	0.472	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-71.5	-11.3	-178.8	-56.8	76.2	-162.5	0	0	113.9	K339 H371	K339-E341 VanDerWaalsContact CB-OE2 3.24Å; K339-E341 WeakPolarHBondContact CB-OE2 3.33Å; K339-E341 PolarHBondContact O-N 2.85Å; K339-E341 VanDerWaalsContact O-N 3.12Å; E341-H371 HydrophobicContact CG-CB 4.44Å; E341-H371 PolarHBondContact O-CE1 2.84Å; E341-H371 PolarHBondContact O-NE2 3.02Å
342	D	97.5	Very high	98.3	Very high	44 Å²	44	35.2 Å²	35.2	24%	0.235	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-84	-17.6	175.5	-59.9	-48.9	0	0	0	112.1	I338 K339 P340 K437 I440	I338-D342 HydrophobicContact CB-CB 4.47Å; K339-D342 PolarHBondContact N-OD2 3.23Å; K339-D342 WeakPolarHBondContact O-CB 3.41Å; K339-D342 PolarHBondContact O-N 3.44Å; P340-D342 PolarHBondContact O-N 2.85Å; D342-K437 IonicContact OD1-NZ 3.65Å; D342-I440 HydrophobicContact CB-CD1 4.05Å
343	I	98.5	Very high	98.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.193	C	C	.	.			trans	-82.5	131.2	177.3	-67.7	159.2	0	0	0	109.6	I333 I338 P340 Y345 V346 F368 H371 I440 L442	I333-I343 HydrophobicContact CD1-CD1 3.61Å; I333-I343 HydrophobicContact CG1-CD1 3.46Å; I333-I343 VanDerWaalsContact CG1-CD1 3.46Å; I338-I343 HydrophobicContact CD1-CD1 4.09Å; I338-I343 HydrophobicContact CD1-CG1 3.87Å; P340-I343 PolarHBondContact O-N 3.34Å; I343-Y345 WeakPolarHBondContact CG2-O 3.29Å; I343-V346 HydrophobicContact CG2-CG2 4.49Å; I343-F368 HydrophobicContact CB-CE1 3.9Å; I343-F368 HydrophobicContact CB-CZ 4.18Å; I343-F368 HydrophobicContact CD1-CE1 4.07Å; I343-F368 HydrophobicContact CD1-CZ 4.12Å; I343-F368 HydrophobicContact CG2-CE1 4.1Å; I343-F368 HydrophobicContact CG2-CZ 3.9Å; I343-H371 PolarHBondContact O-NE2 3.04Å; I343-I440 HydrophobicContact CG1-CG2 4.04Å; I343-L442 HydrophobicContact CD1-CD1 3.85Å; I343-L442 HydrophobicContact CD1-CD2 3.97Å; I343-L442 HydrophobicContact CD1-CG 3.71Å; I343-L442 HydrophobicContact CG1-CG 4.46Å; I343-L442 HydrophobicContact CG2-CG 4.31Å
344	T	98.3	Very high	98.2	Very high	24 Å²	24	39.1 Å²	39.1	15%	0.147	21%	0.211	C	C	.	.			trans	-126.1	-2.3	-179	49.4	0	0	0	0	113.6	A376 W433 I440	T344-A376 PolarHBondContact O-N 2.85Å; T344-W433 WeakPolarHBondContact OG1-CZ2 3.47Å; T344-W433 PolarHBondContact OG1-NE1 2.81Å; T344-I440 PolarHBondContact N-O 3.11Å
345	Y	98.9	Very high	98.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	143.3	174.6	175.4	-128.2	0	0	0	112.1	I343 N347 A376 S378 L408 P409 W433 A441 L442	I343-Y345 WeakPolarHBondContact CG2-O 3.29Å; Y345-N347 HydrophobicContact CE1-CB 4.15Å; Y345-A376 CarbonylContact C-O 3.58Å; Y345-A376 VanDerWaalsContact CA-O 3.26Å; Y345-A376 WeakPolarHBondContact CA-O 3.29Å; Y345-A376 HydrophobicContact CD2-CB 4.16Å; Y345-A376 WeakPolarHBondContact CD2-O 3.39Å; Y345-S378 PolarHBondContact OH-OG 2.8Å; Y345-L408 HydrophobicContact CD1-CD2 3.65Å; Y345-L408 HydrophobicContact CD2-CD1 4.12Å; Y345-L408 HydrophobicContact CD2-CD2 3.6Å; Y345-L408 HydrophobicContact CD2-CG 4.38Å; Y345-L408 HydrophobicContact CE1-CD2 4Å; Y345-L408 HydrophobicContact CE2-CD2 3.95Å; Y345-L408 HydrophobicContact CG-CD2 3.46Å; Y345-L408 VanDerWaalsContact CG-CD2 3.46Å; Y345-P409 WeakPolarHBondContact OH-CD 3.48Å; Y345-P409 WeakPolarHBondContact OH-CG 3.32Å; Y345-W433 HydrophobicContact CD1-CE3 4.35Å; Y345-W433 AromaticContact CD1-CH2 3.93Å; Y345-W433 HydrophobicContact CD1-CH2 3.93Å; Y345-W433 HydrophobicContact CD1-CZ2 4.49Å; Y345-W433 AromaticContact CD1-CZ3 3.79Å; Y345-W433 HydrophobicContact CD1-CZ3 3.79Å; Y345-W433 HydrophobicContact CG-CH2 4.19Å; Y345-W433 HydrophobicContact CG-CZ2 4.3Å; Y345-W433 HydrophobicContact CG-CZ3 4.3Å; Y345-A441 HydrophobicContact CD1-CB 3.69Å; Y345-A441 HydrophobicContact CG-CB 4.29Å; Y345-A441 WeakPolarHBondContact O-CA 3.41Å; Y345-A441 WeakPolarHBondContact O-CB 3.43Å; Y345-L442 PolarHBondContact O-N 3.43Å
346	V	98.9	Very high	98.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	116.1	169.9	-177.3	0	0	0	0	109.1	I343 A348 I364 F368 A376 V377 S378 L442	I343-V346 HydrophobicContact CG2-CG2 4.49Å; V346-A348 PolarHBondContact O-N 2.94Å; V346-I364 HydrophobicContact CG1-CD1 4.04Å; V346-F368 HydrophobicContact CG2-CE2 4.09Å; V346-F368 HydrophobicContact CG2-CZ 4.41Å; V346-A376 PolarHBondContact N-O 3.36Å; V346-V377 HydrophobicContact CB-CG1 4.42Å; V346-V377 HydrophobicContact CB-CG2 4.26Å; V346-V377 CarbonylContact O-C 3.56Å; V346-V377 VanDerWaalsContact O-CA 3.29Å; V346-V377 WeakPolarHBondContact O-CA 3.4Å; V346-S378 PolarHBondContact O-N 3.42Å; V346-L442 CarbonylContact C-O 3.43Å; V346-L442 WeakPolarHBondContact CA-O 3.38Å; V346-L442 HydrophobicContact CG1-CB 4.43Å; V346-L442 HydrophobicContact CG2-CB 4.39Å
347	N	98.9	Very high	98.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	105.9	161.4	-169.1	-19.6	0	0	0	108	Y345 E395 T399 L442 T443 N444	Y345-N347 HydrophobicContact CE1-CB 4.15Å; N347-E395 PolarHBondContact ND2-O 3.41Å; N347-T399 VanDerWaalsContact CB-OG1 3.23Å; N347-T399 WeakPolarHBondContact CB-OG1 3.28Å; N347-T399 PolarHBondContact ND2-OG1 3.29Å; N347-L442 PolarHBondContact N-O 3.22Å; N347-T443 WeakPolarHBondContact O-CA 3.36Å; N347-N444 PolarHBondContact O-N 2.82Å
348	A	98.9	Very high	98.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.176	C	C	.	.			trans	-78.6	151.4	-170.4	0	0	0	0	0	112.4	F268 V346 A350 E360 V377 S378 K381	F268-A348 HydrophobicContact CE2-CB 4.43Å; F268-A348 HydrophobicContact CZ-CB 3.68Å; V346-A348 PolarHBondContact O-N 2.94Å; A348-A350 VanDerWaalsContact C-N 3.27Å; A348-A350 HydrophobicContact CB-CB 4.1Å; A348-A350 PolarHBondContact O-N 3.36Å; A348-E360 WeakPolarHBondContact CA-OE1 3.33Å; A348-V377 HydrophobicContact CB-CG1 3.78Å; A348-S378 WeakPolarHBondContact CB-O 3.36Å; A348-S378 PolarHBondContact N-O 2.85Å; A348-K381 PolarHBondContact O-NZ 3.02Å
349	H	98.9	Very high	98.2	Very high	14 Å²	14	30.4 Å²	30.4	7%	0.065	17%	0.17	C	C	.	.			trans	-67.6	-31.9	169.1	-173.9	52	0	0	0	112	T351 E360 K381 H386 N444 F446	H349-T351 VanDerWaalsContact NE2-CG2 3.27Å; H349-T351 WeakPolarHBondContact NE2-CG2 3.26Å; H349-T351 VanDerWaalsContact O-CG2 3.29Å; H349-T351 WeakPolarHBondContact O-CG2 3.41Å; H349-T351 PolarHBondContact O-N 2.85Å; H349-T351 VanDerWaalsContact O-N 3.15Å; H349-E360 WeakPolarHBondContact CA-OE2 3.07Å; H349-E360 VanDerWaalsContact N-CD 3.31Å; H349-E360 PolarHBondContact N-OE1 3.38Å; H349-E360 PolarHBondContact N-OE2 2.89Å; H349-K381 WeakPolarHBondContact O-CD 3.39Å; H349-K381 WeakPolarHBondContact O-CE 3.34Å; H349-K381 PolarHBondContact O-NZ 3.12Å; H349-H386 AromaticContact CE1-CE1 3.97Å; H349-H386 AromaticContact CE1-NE2 3.82Å; H349-N444 HydrophobicContact CB-CB 4.23Å; H349-N444 WeakPolarHBondContact CB-O 3.36Å; H349-F446 HydrophobicContact CB-CD2 3.67Å; H349-F446 HydrophobicContact CB-CE2 4.04Å; H349-F446 HydrophobicContact CB-CG 4.21Å; H349-F446 PolarHBondContact CD2-O 2.78Å; H349-F446 VanDerWaalsContact CG-N 3.34Å; H349-F446 PolarHBondContact NE2-O 2.97Å
350	A	98.6	Very high	98.3	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.008	14%	0.141	C	C	.	.			trans	-22.4	107.1	-173.7	0	0	0	0	0	114.2	P267 F268 A348 D357 E360 S379	P267-A350 HydrophobicContact CB-CB 4.03Å; F268-A350 HydrophobicContact CD1-CB 4.1Å; F268-A350 HydrophobicContact CE1-CB 3.31Å; F268-A350 HydrophobicContact CE2-CB 3.88Å; F268-A350 HydrophobicContact CZ-CB 3.18Å; A348-A350 VanDerWaalsContact C-N 3.27Å; A348-A350 HydrophobicContact CB-CB 4.1Å; A348-A350 PolarHBondContact O-N 3.36Å; A350-D357 WeakPolarHBondContact CA-OD1 3.25Å; A350-D357 HydrophobicContact CB-CB 4.32Å; A350-E360 WeakPolarHBondContact CA-OE2 3.27Å; A350-E360 PolarHBondContact N-OE2 3Å; A350-S379 PolarHBondContact O-OG 2.85Å
351	T	98.6	Very high	98.3	Very high	10 Å²	10	22.5 Å²	22.5	6%	0.061	13%	0.132	C	C	.	.			trans	-96.6	10.2	-169.1	52.6	0	0	0	0	112.3	F275 H349 T353 D357 K381	F275-T351 WeakPolarHBondContact CA-O 3.37Å; F275-T351 WeakPolarHBondContact CB-O 3.4Å; H349-T351 VanDerWaalsContact NE2-CG2 3.27Å; H349-T351 WeakPolarHBondContact NE2-CG2 3.26Å; H349-T351 VanDerWaalsContact O-CG2 3.29Å; H349-T351 WeakPolarHBondContact O-CG2 3.41Å; H349-T351 PolarHBondContact O-N 2.85Å; H349-T351 VanDerWaalsContact O-N 3.15Å; T351-T353 VanDerWaalsContact C-N 3.3Å; T351-T353 VanDerWaalsContact OG1-CG2 3.3Å; T351-T353 WeakPolarHBondContact OG1-CG2 3.28Å; T351-T353 PolarHBondContact OG1-OG1 2.74Å; T351-T353 VanDerWaalsContact OG1-OG1 3.1Å; T351-D357 PolarHBondContact N-OD1 3.05Å; T351-K381 HydrophobicContact CG2-CD 3.87Å
352	S	98.6	Very high	98.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	68.2	31.6	-170.5	-171.9	0	0	0	0	112.2	R266 R272 E273 G274 D357	R266-S352 PolarHBondContact N-OG 2.89Å; R272-S352 WeakPolarHBondContact CB-O 3.42Å; R272-S352 WeakPolarHBondContact CB-OG 3.43Å; E273-S352 PolarHBondContact N-O 2.77Å; G274-S352 CarbonylContact C-O 3.58Å; G274-S352 PolarHBondContact N-O 3.47Å; G274-S352 VanDerWaalsContact O-O 3.06Å; S352-D357 WeakPolarHBondContact CA-OD2 3.43Å; S352-D357 PolarHBondContact N-OD1 3.33Å; S352-D357 VanDerWaalsContact N-OD1 3.09Å; S352-D357 PolarHBondContact N-OD2 3.29Å
353	T	98.3	Very high	98.4	Very high	27 Å²	27	19.8 Å²	19.8	17%	0.166	12%	0.118	C	C	.	.			trans	-105.4	141.8	175.6	59.2	0	0	0	0	110.4	R272 F275 T351 L355 G356 D357	R272-T353 PolarHBondContact NE-O 2.82Å; F275-T353 HydrophobicContact CB-CG2 4.48Å; T351-T353 VanDerWaalsContact C-N 3.3Å; T351-T353 VanDerWaalsContact OG1-CG2 3.3Å; T351-T353 WeakPolarHBondContact OG1-CG2 3.28Å; T351-T353 PolarHBondContact OG1-OG1 2.74Å; T351-T353 VanDerWaalsContact OG1-OG1 3.1Å; T353-L355 PolarHBondContact O-N 2.97Å; T353-G356 WeakPolarHBondContact OG1-CA 3.39Å; T353-G356 PolarHBondContact OG1-N 3.17Å; T353-D357 PolarHBondContact N-OD1 2.68Å; T353-D357 VanDerWaalsContact N-OD1 3.1Å; T353-D357 WeakPolarHBondContact O-CB 3.41Å; T353-D357 VanDerWaalsContact O-CG 3.28Å; T353-D357 PolarHBondContact O-N 3.17Å
354	P	97.6	Very high	98.4	Very high	64 Å²	64	19.9 Å²	19.9	42%	0.416	12%	0.118	S	C	.	.	H	α-helix	trans	-56	-51.8	-177.4	-29	35.3	0	0	0	113.6	R272 A358	R272-P354 PolarHBondContact NH2-O 2.88Å; R272-P354 VanDerWaalsContact NH2-O 3.09Å; P354-A358 WeakPolarHBondContact O-CB 3.48Å
355	L	97.3	Very high	98.4	Very high	117 Å²	117	21.7 Å²	21.7	61%	0.613	12%	0.124	S	C	*	.	H	α-helix	trans	-76.2	-41	-176.3	-62	178.6	0	0	0	112.8	P318 T353 A359	P318-L355 HydrophobicContact CG-CB 4.02Å; T353-L355 PolarHBondContact O-N 2.97Å; L355-A359 VanDerWaalsContact O-CB 3.31Å; L355-A359 WeakPolarHBondContact O-CB 3.38Å; L355-A359 PolarHBondContact O-N 3.24Å
356	G	98.1	Very high	98.4	Very high	19 Å²	19	25.3 Å²	25.3	20%	0.196	14%	0.138	C	C	.	.	H	α-helix	trans	-65.2	-52.6	-176.6	0	0	0	0	0	112.2	T353 A358 A359 E360	T353-G356 WeakPolarHBondContact OG1-CA 3.39Å; T353-G356 PolarHBondContact OG1-N 3.17Å; G356-A358 VanDerWaalsContact C-N 3.27Å; G356-A358 PolarHBondContact O-N 3.38Å; G356-A359 PolarHBondContact O-N 3.02Å; G356-E360 PolarHBondContact O-N 2.89Å
357	D	98.6	Very high	98.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.2	-36.1	-179.7	-63.9	25.6	0	0	0	111.5	P267 F268 R272 A350 T351 S352 T353 N361 F421	P267-D357 VanDerWaalsContact CA-OD2 3.29Å; P267-D357 WeakPolarHBondContact CA-OD2 3.24Å; F268-D357 HydrophobicContact CD1-CB 4.08Å; F268-D357 HydrophobicContact CE1-CB 4.41Å; F268-D357 PolarHBondContact N-OD2 2.64Å; R272-D357 VanDerWaalsContact CD-OD2 3.23Å; R272-D357 WeakPolarHBondContact CD-OD2 3.43Å; R272-D357 IonicContact NE-OD2 3.47Å; A350-D357 WeakPolarHBondContact CA-OD1 3.25Å; A350-D357 HydrophobicContact CB-CB 4.32Å; T351-D357 PolarHBondContact N-OD1 3.05Å; S352-D357 WeakPolarHBondContact CA-OD2 3.43Å; S352-D357 PolarHBondContact N-OD1 3.33Å; S352-D357 VanDerWaalsContact N-OD1 3.09Å; S352-D357 PolarHBondContact N-OD2 3.29Å; T353-D357 PolarHBondContact N-OD1 2.68Å; T353-D357 VanDerWaalsContact N-OD1 3.1Å; T353-D357 WeakPolarHBondContact O-CB 3.41Å; T353-D357 VanDerWaalsContact O-CG 3.28Å; T353-D357 PolarHBondContact O-N 3.17Å; D357-N361 VanDerWaalsContact O-CB 3.22Å; D357-N361 WeakPolarHBondContact O-CB 3.5Å; D357-N361 PolarHBondContact O-N 3.2Å; D357-F421 HydrophobicContact CB-CE1 4.44Å
358	A	98.3	Very high	98.4	Very high	36 Å²	36	26.4 Å²	26.4	30%	0.298	14%	0.144	S	C	.	.	H	α-helix	trans	-68.7	-46.1	176.8	0	0	0	0	0	112.6	P354 G356 N361 Q362 F421	P354-A358 WeakPolarHBondContact O-CB 3.48Å; G356-A358 VanDerWaalsContact C-N 3.27Å; G356-A358 PolarHBondContact O-N 3.38Å; A358-N361 PolarHBondContact O-N 2.86Å; A358-Q362 WeakPolarHBondContact O-CB 3.28Å; A358-Q362 PolarHBondContact O-N 3.37Å; A358-F421 HydrophobicContact CB-CE2 4.44Å; A358-F421 HydrophobicContact CB-CZ 3.89Å
359	A	98.3	Very high	98.3	Very high	5 Å²	5	34 Å²	34	4%	0.041	18%	0.177	C	C	.	.	H	α-helix	trans	-62.9	-42.9	178.3	0	0	0	0	0	111.5	P318 N319 L355 G356 Q362 A363	P318-A359 HydrophobicContact CB-CB 4.43Å; P318-A359 HydrophobicContact CG-CB 4.4Å; N319-A359 WeakPolarHBondContact O-CB 3.12Å; L355-A359 VanDerWaalsContact O-CB 3.31Å; L355-A359 WeakPolarHBondContact O-CB 3.38Å; L355-A359 PolarHBondContact O-N 3.24Å; G356-A359 PolarHBondContact O-N 3.02Å; A359-Q362 PolarHBondContact O-N 2.97Å; A359-A363 WeakPolarHBondContact O-CB 3.3Å; A359-A363 PolarHBondContact O-N 3.14Å
360	E	98.7	Very high	98.3	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.009	21%	0.208	C	C	.	.	H	α-helix	trans	-65.5	-45.5	175.9	178.5	166.9	-146.2	0	0	111.9	A348 H349 A350 G356 Q362 A363 I364 N444 F446	A348-E360 WeakPolarHBondContact CA-OE1 3.33Å; H349-E360 WeakPolarHBondContact CA-OE2 3.07Å; H349-E360 VanDerWaalsContact N-CD 3.31Å; H349-E360 PolarHBondContact N-OE1 3.38Å; H349-E360 PolarHBondContact N-OE2 2.89Å; A350-E360 WeakPolarHBondContact CA-OE2 3.27Å; A350-E360 PolarHBondContact N-OE2 3Å; G356-E360 PolarHBondContact O-N 2.89Å; E360-Q362 VanDerWaalsContact C-N 3.29Å; E360-Q362 PolarHBondContact O-N 3.35Å; E360-A363 WeakPolarHBondContact O-CB 3.28Å; E360-A363 PolarHBondContact O-N 2.8Å; E360-A363 VanDerWaalsContact O-N 3.14Å; E360-I364 HydrophobicContact CG-CD1 3.79Å; E360-I364 HydrophobicContact CG-CG1 4.28Å; E360-I364 WeakPolarHBondContact O-CG1 3.44Å; E360-I364 PolarHBondContact O-N 3.04Å; E360-N444 VanDerWaalsContact OE1-CB 3.31Å; E360-N444 WeakPolarHBondContact OE1-CB 3.29Å; E360-N444 PolarHBondContact OE1-ND2 3.02Å; E360-F446 HydrophobicContact CB-CD2 4.47Å; E360-F446 HydrophobicContact CB-CE2 4Å; E360-F446 HydrophobicContact CG-CE2 3.75Å; E360-F446 WeakPolarHBondContact OE1-CE2 3.26Å
361	N	98.5	Very high	98.2	Very high	9 Å²	9	41.1 Å²	41.1	5%	0.048	21%	0.214	C	C	.	.	H	α-helix	trans	-56.9	-44.5	176.3	178.2	63.4	0	0	0	111.6	D357 A358 I364 K365 G420 F421 L423 Y425	D357-N361 VanDerWaalsContact O-CB 3.22Å; D357-N361 WeakPolarHBondContact O-CB 3.5Å; D357-N361 PolarHBondContact O-N 3.2Å; A358-N361 PolarHBondContact O-N 2.86Å; N361-I364 PolarHBondContact O-N 3.29Å; N361-K365 WeakPolarHBondContact O-CG 3.49Å; N361-K365 PolarHBondContact O-N 3.29Å; N361-G420 PolarHBondContact ND2-O 3.26Å; N361-F421 HydrophobicContact CB-CD1 4.03Å; N361-F421 HydrophobicContact CB-CE1 3.73Å; N361-F421 HydrophobicContact CB-CZ 4.39Å; N361-L423 WeakPolarHBondContact OD1-CD1 3.11Å; N361-Y425 PolarHBondContact OD1-OH 2.67Å
362	Q	98	Very high	98.1	Very high	88 Å²	88	41 Å²	41	41%	0.411	21%	0.214	S	C	.	.	H	α-helix	trans	-63.3	-43.4	176	-175.1	177.4	3.6	0	0	111.9	P320 A358 A359 E360 I364 K365 R366	P320-Q362 PolarHBondContact O-OE1 2.86Å; A358-Q362 WeakPolarHBondContact O-CB 3.28Å; A358-Q362 PolarHBondContact O-N 3.37Å; A359-Q362 PolarHBondContact O-N 2.97Å; E360-Q362 VanDerWaalsContact C-N 3.29Å; E360-Q362 PolarHBondContact O-N 3.35Å; Q362-I364 PolarHBondContact O-N 2.64Å; Q362-K365 PolarHBondContact O-N 3.23Å; Q362-R366 VanDerWaalsContact O-CB 3.25Å; Q362-R366 WeakPolarHBondContact O-CB 3.3Å; Q362-R366 PolarHBondContact O-N 2.95Å
363	A	98.6	Very high	98	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.3	-43.8	178.1	0	0	0	0	0	112.1	G322 A325 F326 M329 A359 E360 R366 L367	G322-A363 WeakPolarHBondContact O-CB 3.48Å; A325-A363 HydrophobicContact CB-CB 3.77Å; F326-A363 HydrophobicContact CB-CB 4.2Å; M329-A363 HydrophobicContact CE-CB 3.76Å; A359-A363 WeakPolarHBondContact O-CB 3.3Å; A359-A363 PolarHBondContact O-N 3.14Å; E360-A363 WeakPolarHBondContact O-CB 3.28Å; E360-A363 PolarHBondContact O-N 2.8Å; E360-A363 VanDerWaalsContact O-N 3.14Å; A363-R366 PolarHBondContact O-N 3.44Å; A363-L367 VanDerWaalsContact O-CB 3.31Å; A363-L367 WeakPolarHBondContact O-CB 3.49Å; A363-L367 PolarHBondContact O-N 2.9Å
364	I	98.7	Very high	97.8	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-61	-52	176.3	-70.2	171.5	0	0	0	109.7	M329 V346 E360 N361 Q362 R366 L367 F368 I375 V377 L423	M329-I364 HydrophobicContact CE-CG1 3.98Å; M329-I364 HydrophobicContact SD-CG1 4.06Å; V346-I364 HydrophobicContact CG1-CD1 4.04Å; E360-I364 HydrophobicContact CG-CD1 3.79Å; E360-I364 HydrophobicContact CG-CG1 4.28Å; E360-I364 WeakPolarHBondContact O-CG1 3.44Å; E360-I364 PolarHBondContact O-N 3.04Å; N361-I364 PolarHBondContact O-N 3.29Å; Q362-I364 PolarHBondContact O-N 2.64Å; I364-R366 VanDerWaalsContact C-N 3.31Å; I364-R366 PolarHBondContact O-N 3.43Å; I364-L367 PolarHBondContact O-N 3.38Å; I364-F368 HydrophobicContact CG2-CD2 3.84Å; I364-F368 HydrophobicContact CG2-CE2 4.22Å; I364-F368 VanDerWaalsContact O-CD2 3.27Å; I364-F368 WeakPolarHBondContact O-CD2 3.39Å; I364-F368 PolarHBondContact O-N 3.46Å; I364-I375 HydrophobicContact CG2-CD1 3.34Å; I364-V377 HydrophobicContact CD1-CG1 4.1Å; I364-V377 HydrophobicContact CD1-CG2 4.36Å; I364-V377 HydrophobicContact CG2-CG2 4.36Å; I364-L423 HydrophobicContact CB-CD1 4.47Å; I364-L423 HydrophobicContact CG2-CD1 3.75Å
365	K	98.3	Very high	97.8	Very high	62 Å²	62	53.4 Å²	53.4	27%	0.27	26%	0.255	S	S	.	.	H	α-helix	trans	-59.6	-40.8	178.8	-71.6	179.3	70.1	160.2	0	112.3	N361 Q362 K369 G420 D422 L423	N361-K365 WeakPolarHBondContact O-CG 3.49Å; N361-K365 PolarHBondContact O-N 3.29Å; Q362-K365 PolarHBondContact O-N 3.23Å; K365-K369 WeakPolarHBondContact O-CA 3.13Å; K365-K369 PolarHBondContact O-N 3.29Å; K365-G420 PolarHBondContact NZ-O 3.34Å; K365-G420 VanDerWaalsContact NZ-O 3.11Å; K365-D422 WeakPolarHBondContact CE-OD1 3.26Å; K365-D422 IonicContact NZ-OD1 3.79Å; K365-D422 PolarHBondContact NZ-OD1 2.95Å; K365-D422 IonicContact NZ-OD2 3.54Å; K365-D422 PolarHBondContact NZ-OD2 3.15Å; K365-L423 HydrophobicContact CD-CD2 4.45Å; K365-L423 HydrophobicContact CG-CD1 4.23Å; K365-L423 HydrophobicContact CG-CD2 3.99Å; K365-L423 HydrophobicContact CG-CG 4.34Å
366	R	98.2	Very high	97.9	Very high	76 Å²	76	48.2 Å²	48.2	29%	0.287	23%	0.229	S	C	.	.	H	α-helix	trans	-65.5	-39.5	177.9	-172.2	173.6	82.2	177.7	18.1	112.3	E321 D323 F326 Q362 A363 I364	E321-R366 PolarHBondContact O-NH1 3.28Å; D323-R366 IonicContact OD1-CZ 3.67Å; D323-R366 IonicContact OD1-NH1 2.9Å; D323-R366 IonicContact OD1-NH2 2.66Å; D323-R366 PolarHBondContact OD1-NH2 3.15Å; F326-R366 HydrophobicContact CD2-CB 4.16Å; F326-R366 HydrophobicContact CD2-CG 3.97Å; F326-R366 VanDerWaalsContact CD2-NE 3.28Å; F326-R366 HydrophobicContact CE2-CB 4.46Å; F326-R366 HydrophobicContact CE2-CG 3.95Å; Q362-R366 VanDerWaalsContact O-CB 3.25Å; Q362-R366 WeakPolarHBondContact O-CB 3.3Å; Q362-R366 PolarHBondContact O-N 2.95Å; A363-R366 PolarHBondContact O-N 3.44Å; I364-R366 VanDerWaalsContact C-N 3.31Å; I364-R366 PolarHBondContact O-N 3.43Å
367	L	98.5	Very high	97.9	Very high	19 Å²	19	47.3 Å²	47.3	10%	0.099	22%	0.219	C	C	.	.	H	α-helix	trans	-69.7	-49.9	-180	-179	59.4	0	0	0	112.1	F326 M329 S330 I333 A363 I364	F326-L367 HydrophobicContact CD2-CB 3.89Å; F326-L367 HydrophobicContact CD2-CD1 4.28Å; F326-L367 HydrophobicContact CE2-CB 4.09Å; F326-L367 HydrophobicContact CE2-CD1 3.98Å; M329-L367 HydrophobicContact CB-CD2 3.38Å; M329-L367 HydrophobicContact CE-CD2 4.08Å; M329-L367 HydrophobicContact CG-CD2 4.29Å; M329-L367 HydrophobicContact SD-CD2 4.01Å; S330-L367 WeakPolarHBondContact OG-CD1 3.31Å; I333-L367 HydrophobicContact CD1-CD1 4.27Å; I333-L367 HydrophobicContact CD1-CD2 3.84Å; I333-L367 HydrophobicContact CD1-CG 4.27Å; A363-L367 VanDerWaalsContact O-CB 3.31Å; A363-L367 WeakPolarHBondContact O-CB 3.49Å; A363-L367 PolarHBondContact O-N 2.9Å; I364-L367 PolarHBondContact O-N 3.38Å
368	F	98.4	Very high	97.9	Very high	5 Å²	5	47.3 Å²	47.3	2%	0.022	22%	0.219	C	C	.	.	H	α-helix	trans	-90	-15.4	-172.7	-65.4	-70.6	0	0	0	113.6	I333 P340 I343 V346 I364 D370 H371 A372 I375 L442	I333-F368 HydrophobicContact CD1-CE1 4.41Å; I333-F368 HydrophobicContact CD1-CZ 4.5Å; P340-F368 HydrophobicContact CB-CD1 4.04Å; P340-F368 HydrophobicContact CB-CE1 4.15Å; P340-F368 VanDerWaalsContact O-CE1 3.31Å; P340-F368 WeakPolarHBondContact O-CE1 3.37Å; I343-F368 HydrophobicContact CB-CE1 3.9Å; I343-F368 HydrophobicContact CB-CZ 4.18Å; I343-F368 HydrophobicContact CD1-CE1 4.07Å; I343-F368 HydrophobicContact CD1-CZ 4.12Å; I343-F368 HydrophobicContact CG2-CE1 4.1Å; I343-F368 HydrophobicContact CG2-CZ 3.9Å; V346-F368 HydrophobicContact CG2-CE2 4.09Å; V346-F368 HydrophobicContact CG2-CZ 4.41Å; I364-F368 HydrophobicContact CG2-CD2 3.84Å; I364-F368 HydrophobicContact CG2-CE2 4.22Å; I364-F368 VanDerWaalsContact O-CD2 3.27Å; I364-F368 WeakPolarHBondContact O-CD2 3.39Å; I364-F368 PolarHBondContact O-N 3.46Å; F368-D370 PolarHBondContact O-N 2.87Å; F368-H371 HydrophobicContact CB-CB 4.3Å; F368-H371 AromaticContact CD1-CD2 3.85Å; F368-H371 WeakPolarHBondContact O-CA 3.4Å; F368-H371 WeakPolarHBondContact O-CB 3.43Å; F368-H371 PolarHBondContact O-N 3.43Å; F368-A372 HydrophobicContact CB-CB 4.03Å; F368-I375 HydrophobicContact CB-CD1 4.36Å; F368-I375 HydrophobicContact CD1-CG2 4.48Å; F368-I375 HydrophobicContact CD2-CD1 3.61Å; F368-I375 HydrophobicContact CE2-CD1 4.14Å; F368-I375 HydrophobicContact CG-CD1 4.09Å; F368-I375 HydrophobicContact CG-CG2 4.45Å; F368-L442 HydrophobicContact CZ-CD1 4.02Å
369	K	97.9	Very high	98	Very high	160 Å²	160	45.6 Å²	45.6	70%	0.696	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	50.5	-125.2	179	-56.1	177.2	-177.8	174.3	0	110.6	K365 H371 A372	K365-K369 WeakPolarHBondContact O-CA 3.13Å; K365-K369 PolarHBondContact O-N 3.29Å; K369-H371 PolarHBondContact O-N 2.99Å; K369-A372 WeakPolarHBondContact O-CB 3.37Å; K369-A372 PolarHBondContact O-N 3.22Å; K369-A372 VanDerWaalsContact O-N 3.07Å
370	D	97.6	Very high	98	Very high	135 Å²	135	45.3 Å²	45.3	72%	0.722	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-63.1	-30	178.5	-63.7	-30.9	0	0	0	112.8	F368 A372 R373	F368-D370 PolarHBondContact O-N 2.87Å; D370-A372 PolarHBondContact O-N 2.95Å; D370-R373 PolarHBondContact O-N 2.97Å
371	H	97.6	Very high	98	Very high	28 Å²	28	45.2 Å²	45.2	13%	0.13	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-65.2	-16.7	175.7	-169.6	69.1	0	0	0	112.8	E341 I343 F368 K369 R373 H374 I375	E341-H371 HydrophobicContact CG-CB 4.44Å; E341-H371 PolarHBondContact O-CE1 2.84Å; E341-H371 PolarHBondContact O-NE2 3.02Å; I343-H371 PolarHBondContact O-NE2 3.04Å; F368-H371 HydrophobicContact CB-CB 4.3Å; F368-H371 AromaticContact CD1-CD2 3.85Å; F368-H371 WeakPolarHBondContact O-CA 3.4Å; F368-H371 WeakPolarHBondContact O-CB 3.43Å; F368-H371 PolarHBondContact O-N 3.43Å; K369-H371 PolarHBondContact O-N 2.99Å; H371-R373 PolarHBondContact O-N 2.87Å; H371-H374 PolarHBondContact O-N 3.43Å; H371-I375 PolarHBondContact O-N 3.18Å
372	A	96.7	Very high	98	Very high	7 Å²	7	44.8 Å²	44.8	6%	0.058	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-59.4	-18.4	174.4	0	0	0	0	0	113.1	F368 K369 D370 H374 I375 L423	F368-A372 HydrophobicContact CB-CB 4.03Å; K369-A372 WeakPolarHBondContact O-CB 3.37Å; K369-A372 PolarHBondContact O-N 3.22Å; K369-A372 VanDerWaalsContact O-N 3.07Å; D370-A372 PolarHBondContact O-N 2.95Å; A372-H374 VanDerWaalsContact C-N 3.27Å; A372-H374 PolarHBondContact O-N 2.66Å; A372-I375 HydrophobicContact CB-CD1 4.34Å; A372-I375 WeakPolarHBondContact O-CG1 3.31Å; A372-L423 HydrophobicContact CB-CD2 3.84Å; A372-L423 WeakPolarHBondContact O-CD2 3.19Å
373	R	95.1	Very high	98	Very high	217 Å²	217	40.6 Å²	40.6	82%	0.819	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-76.5	-13.7	173.6	-61.7	-179.6	178.4	-167.4	0.2	113.8	D370 H371	D370-R373 PolarHBondContact O-N 2.97Å; H371-R373 PolarHBondContact O-N 2.87Å
374	H	95.7	Very high	98	Very high	133 Å²	133	40.6 Å²	40.6	62%	0.616	18%	0.181	S	C	*	.	S	Bend	trans	-111.2	2.7	-176.8	-61	-62.8	0	0	0	113.1	H371 A372	H371-H374 PolarHBondContact O-N 3.43Å; A372-H374 VanDerWaalsContact C-N 3.27Å; A372-H374 PolarHBondContact O-N 2.66Å
375	I	96.8	Very high	98	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.015	18%	0.181	C	C	.	.			trans	-99.6	139.6	174.8	68.6	-178.6	0	0	0	110.1	I364 F368 H371 A372 V377	I364-I375 HydrophobicContact CG2-CD1 3.34Å; F368-I375 HydrophobicContact CB-CD1 4.36Å; F368-I375 HydrophobicContact CD1-CG2 4.48Å; F368-I375 HydrophobicContact CD2-CD1 3.61Å; F368-I375 HydrophobicContact CE2-CD1 4.14Å; F368-I375 HydrophobicContact CG-CD1 4.09Å; F368-I375 HydrophobicContact CG-CG2 4.45Å; H371-I375 PolarHBondContact O-N 3.18Å; A372-I375 HydrophobicContact CB-CD1 4.34Å; A372-I375 WeakPolarHBondContact O-CG1 3.31Å; I375-V377 HydrophobicContact CD1-CG2 4.12Å; I375-V377 HydrophobicContact CG1-CG2 4.2Å
376	A	98.8	Very high	98.1	Very high	7 Å²	7	37.8 Å²	37.8	6%	0.058	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	145.9	159.2	0	0	0	0	0	109.3	T344 Y345 V346 L408 N424 V426	T344-A376 PolarHBondContact O-N 2.85Å; Y345-A376 CarbonylContact C-O 3.58Å; Y345-A376 VanDerWaalsContact CA-O 3.26Å; Y345-A376 WeakPolarHBondContact CA-O 3.29Å; Y345-A376 HydrophobicContact CD2-CB 4.16Å; Y345-A376 WeakPolarHBondContact CD2-O 3.39Å; V346-A376 PolarHBondContact N-O 3.36Å; A376-L408 HydrophobicContact CB-CD1 3.29Å; A376-N424 CarbonylContact C-O 2.81Å; A376-N424 WeakPolarHBondContact CA-O 3.45Å; A376-V426 HydrophobicContact CB-CG2 3.92Å
377	V	98.9	Very high	98.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	138.2	174.5	-177	0	0	0	0	106.8	F268 V346 A348 I364 I375 L423 N424 Y425 V426	F268-V377 HydrophobicContact CE2-CG1 4.42Å; F268-V377 HydrophobicContact CZ-CG1 4.07Å; V346-V377 HydrophobicContact CB-CG1 4.42Å; V346-V377 HydrophobicContact CB-CG2 4.26Å; V346-V377 CarbonylContact O-C 3.56Å; V346-V377 VanDerWaalsContact O-CA 3.29Å; V346-V377 WeakPolarHBondContact O-CA 3.4Å; A348-V377 HydrophobicContact CB-CG1 3.78Å; I364-V377 HydrophobicContact CD1-CG1 4.1Å; I364-V377 HydrophobicContact CD1-CG2 4.36Å; I364-V377 HydrophobicContact CG2-CG2 4.36Å; I375-V377 HydrophobicContact CD1-CG2 4.12Å; I375-V377 HydrophobicContact CG1-CG2 4.2Å; V377-L423 HydrophobicContact CG2-CD1 3.9Å; V377-N424 PolarHBondContact N-O 3.19Å; V377-Y425 HydrophobicContact CB-CD1 4.21Å; V377-Y425 HydrophobicContact CG1-CD1 4.39Å; V377-Y425 CarbonylContact O-C 3.6Å; V377-Y425 WeakPolarHBondContact O-CA 3.32Å; V377-Y425 VanDerWaalsContact O-O 3.08Å; V377-V426 PolarHBondContact O-N 3.06Å
378	S	98.9	Very high	98.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	160.1	166.6	75	0	0	0	0	111.6	Y345 V346 A348 P409 T411	Y345-S378 PolarHBondContact OH-OG 2.8Å; V346-S378 PolarHBondContact O-N 3.42Å; A348-S378 WeakPolarHBondContact CB-O 3.36Å; A348-S378 PolarHBondContact N-O 2.85Å; S378-P409 WeakPolarHBondContact CB-O 3.45Å; S378-P409 PolarHBondContact OG-O 2.94Å; S378-T411 VanDerWaalsContact CA-OG1 3.24Å; S378-T411 WeakPolarHBondContact CA-OG1 3Å; S378-T411 WeakPolarHBondContact CB-OG1 3.42Å
379	S	98.9	Very high	98.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.151	C	C	.	.			trans	-121.8	120.1	169.9	173.2	0	0	0	0	109.7	P267 A350 K381 T411	P267-S379 WeakPolarHBondContact CG-OG 3.5Å; A350-S379 PolarHBondContact O-OG 2.85Å; S379-K381 PolarHBondContact O-N 2.91Å; S379-K381 PolarHBondContact OG-N 3.42Å; S379-T411 PolarHBondContact N-OG1 3.11Å
380	T	98.9	Very high	98.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-3.9	178.9	56.3	0	0	0	0	112.8	L65 G382 A383 T384 F398 P409	L65-T380 HydrophobicContact CD1-CG2 4.02Å; L65-T380 HydrophobicContact CD2-CG2 4.01Å; T380-G382 PolarHBondContact O-N 3.45Å; T380-A383 WeakPolarHBondContact O-CB 3.43Å; T380-A383 PolarHBondContact O-N 3.08Å; T380-T384 PolarHBondContact O-N 3.45Å; T380-T384 VanDerWaalsContact O-N 3.17Å; T380-T384 PolarHBondContact O-OG1 2.87Å; T380-F398 HydrophobicContact CG2-CD2 3.84Å; T380-F398 HydrophobicContact CG2-CE2 4.44Å; T380-P409 HydrophobicContact CG2-CB 3.87Å; T380-P409 HydrophobicContact CG2-CG 3.57Å
381	K	98.9	Very high	98.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-67.7	-17.1	-178	-63.4	-177.6	-178.3	64.2	0	113.1	C265 A348 H349 T351 S379 A383 G385 H386 E395	C265-K381 PolarHBondContact SG-O 3.45Å; A348-K381 PolarHBondContact O-NZ 3.02Å; H349-K381 WeakPolarHBondContact O-CD 3.39Å; H349-K381 WeakPolarHBondContact O-CE 3.34Å; H349-K381 PolarHBondContact O-NZ 3.12Å; T351-K381 HydrophobicContact CG2-CD 3.87Å; S379-K381 PolarHBondContact O-N 2.91Å; S379-K381 PolarHBondContact OG-N 3.42Å; K381-A383 PolarHBondContact O-N 3.34Å; K381-G385 WeakPolarHBondContact O-CA 3.42Å; K381-G385 PolarHBondContact O-N 2.99Å; K381-H386 HydrophobicContact CD-CB 4.39Å; K381-E395 WeakPolarHBondContact CE-OE1 3.49Å; K381-E395 IonicContact NZ-OE1 2.64Å; K381-E395 PolarHBondContact NZ-OE1 2.86Å; K381-E395 IonicContact NZ-OE2 2.86Å; K381-E395 PolarHBondContact NZ-OE2 3.05Å
382	G	98.6	Very high	98.3	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-64.9	-30.1	168.2	0	0	0	0	0	113.1	S70 I72 T380	S70-G382 PolarHBondContact OG-O 3.49Å; I72-G382 WeakPolarHBondContact CD1-O 3.49Å; T380-G382 PolarHBondContact O-N 3.45Å
383	A	98.8	Very high	98.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-87.6	-44.5	179.2	0	0	0	0	0	111.6	L54 L65 D69 S70 G71 T380 K381 L412	L54-A383 HydrophobicContact CD1-CB 4.04Å; L54-A383 HydrophobicContact CD2-CB 4.32Å; L65-A383 HydrophobicContact CD1-CB 3.58Å; D69-A383 VanDerWaalsContact O-CB 3.26Å; D69-A383 WeakPolarHBondContact O-CB 3.43Å; S70-A383 WeakPolarHBondContact CA-O 3.16Å; G71-A383 PolarHBondContact N-O 2.84Å; T380-A383 WeakPolarHBondContact O-CB 3.43Å; T380-A383 PolarHBondContact O-N 3.08Å; K381-A383 PolarHBondContact O-N 3.34Å; A383-L412 HydrophobicContact CB-CD1 3.84Å
384	T	98.8	Very high	98.6	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-98.4	-11.8	-172.4	57.6	0	0	0	0	114.3	P53 L54 A89 T380 L387 I394 F398	P53-T384 WeakPolarHBondContact CG-O 3.18Å; L54-T384 HydrophobicContact CD1-CG2 3.92Å; L54-T384 HydrophobicContact CG-CG2 4.18Å; A89-T384 WeakPolarHBondContact CB-O 3.37Å; T380-T384 PolarHBondContact O-N 3.45Å; T380-T384 VanDerWaalsContact O-N 3.17Å; T380-T384 PolarHBondContact O-OG1 2.87Å; T384-L387 WeakPolarHBondContact O-CD1 3.35Å; T384-I394 HydrophobicContact CG2-CD1 4.17Å; T384-F398 HydrophobicContact CG2-CE2 3.94Å; T384-F398 HydrophobicContact CG2-CZ 4.12Å
385	G	98.8	Very high	98.7	Very high	0 Å²	0	1 Å²	1	0%	0	1%	0.006	C	C	.	.			trans	66	-173	-157	0	0	0	0	0	111.4	K381 L387	K381-G385 WeakPolarHBondContact O-CA 3.42Å; K381-G385 PolarHBondContact O-N 2.99Å; G385-L387 WeakPolarHBondContact O-CD1 3.49Å
386	H	98.8	Very high	98.8	Very high	4 Å²	4	0.9 Å²	0.9	2%	0.019	1%	0.005	C	C	.	.	B	Isolated β-bridge	trans	-98	104.1	177.6	-172	1.7	0	0	0	110.7	C208 F275 V276 G278 H349 K381 L388	C208-H386 PolarHBondContact SG-NE2 3.2Å; F275-H386 HydrophobicContact CB-CB 4.31Å; F275-H386 HydrophobicContact CD2-CB 3.8Å; F275-H386 HydrophobicContact CE2-CB 4.46Å; F275-H386 HydrophobicContact CG-CB 4.3Å; V276-H386 PolarHBondContact O-N 2.78Å; G278-H386 PolarHBondContact N-O 3.06Å; H349-H386 AromaticContact CE1-CE1 3.97Å; H349-H386 AromaticContact CE1-NE2 3.82Å; K381-H386 HydrophobicContact CD-CB 4.39Å; H386-L388 PolarHBondContact ND1-N 3.25Å; H386-L388 PolarHBondContact O-N 2.87Å
387	L	98.8	Very high	98.8	Very high	1 Å²	1	0.5 Å²	0.5	1%	0.005	0%	0.003	C	C	.	.			trans	-78	21.2	-177.4	-77.6	67.4	0	0	0	114.1	P53 E236 T384 G385 G389 A390 A391 I394	P53-L387 HydrophobicContact CG-CD1 4.42Å; E236-L387 VanDerWaalsContact CB-O 3.3Å; E236-L387 WeakPolarHBondContact CB-O 3.27Å; T384-L387 WeakPolarHBondContact O-CD1 3.35Å; G385-L387 WeakPolarHBondContact O-CD1 3.49Å; L387-G389 PolarHBondContact O-N 3.31Å; L387-A390 HydrophobicContact CB-CB 4.04Å; L387-A390 HydrophobicContact CD2-CB 4.42Å; L387-A390 PolarHBondContact O-N 2.76Å; L387-A391 HydrophobicContact CB-CB 4.47Å; L387-I394 HydrophobicContact CD2-CD1 4.03Å; L387-I394 HydrophobicContact CD2-CG2 4.17Å
388	L	98.6	Very high	98.8	Very high	6 Å²	6	0.5 Å²	0.5	3%	0.031	0%	0.003	C	C	.	.	G	3₁₀ helix	trans	40.9	-109	-178.5	-48.9	174.3	0	0	0	112.6	M153 C208 E236 F247 F275 M277 H386 A390 A391	M153-L388 HydrophobicContact CE-CD1 3.56Å; M153-L388 HydrophobicContact SD-CD1 4.5Å; C208-L388 WeakPolarHBondContact CA-O 3.29Å; E236-L388 HydrophobicContact CG-CB 3.89Å; E236-L388 HydrophobicContact CG-CD1 4.03Å; E236-L388 HydrophobicContact CG-CG 4.34Å; E236-L388 WeakPolarHBondContact OE2-CB 3.44Å; F247-L388 HydrophobicContact CE2-CD1 4.37Å; F247-L388 HydrophobicContact CZ-CD1 4.38Å; F247-L388 HydrophobicContact CZ-CD2 4.31Å; F275-L388 HydrophobicContact CE2-CD2 4.14Å; F275-L388 HydrophobicContact CZ-CD2 4.15Å; M277-L388 HydrophobicContact CE-CD1 4.28Å; M277-L388 HydrophobicContact CG-CD1 4.32Å; M277-L388 HydrophobicContact SD-CD1 4.38Å; H386-L388 PolarHBondContact ND1-N 3.25Å; H386-L388 PolarHBondContact O-N 2.87Å; L388-A390 VanDerWaalsContact C-N 3.26Å; L388-A390 PolarHBondContact O-N 3.08Å; L388-A391 VanDerWaalsContact O-CB 3.26Å; L388-A391 WeakPolarHBondContact O-CB 2.88Å; L388-A391 PolarHBondContact O-N 3.03Å; L388-A391 VanDerWaalsContact O-N 3.13Å
389	G	98.5	Very high	98.8	Very high	0 Å²	0	0.5 Å²	0.5	0%	0	0%	0.003	C	C	.	.	G	3₁₀ helix	trans	-60.5	-28.2	-179.1	0	0	0	0	0	115.3	T210 G211 E236 L387	T210-G389 WeakPolarHBondContact CB-O 3.46Å; G211-G389 WeakPolarHBondContact CA-O 3.39Å; G211-G389 PolarHBondContact N-O 3.46Å; E236-G389 PolarHBondContact OE2-N 3.39Å; L387-G389 PolarHBondContact O-N 3.31Å
390	A	98.9	Very high	98.8	Very high	0 Å²	0	0.5 Å²	0.5	0%	0	0%	0.003	C	C	.	.	G	3₁₀ helix	trans	-88.8	-10	177.6	0	0	0	0	0	114.1	G234 G280 L387 L388 G392 A393 I394	G234-A390 VanDerWaalsContact O-CB 3.32Å; G234-A390 WeakPolarHBondContact O-CB 3.25Å; G280-A390 WeakPolarHBondContact O-CB 2.94Å; L387-A390 HydrophobicContact CB-CB 4.04Å; L387-A390 HydrophobicContact CD2-CB 4.42Å; L387-A390 PolarHBondContact O-N 2.76Å; L388-A390 VanDerWaalsContact C-N 3.26Å; L388-A390 PolarHBondContact O-N 3.08Å; A390-G392 PolarHBondContact O-N 2.92Å; A390-A393 PolarHBondContact O-N 3.27Å; A390-A393 VanDerWaalsContact O-N 3.13Å; A390-I394 PolarHBondContact O-N 3.18Å
391	A	98.9	Very high	98.8	Very high	0 Å²	0	0.5 Å²	0.5	0%	0	0%	0.003	C	C	.	.	H	α-helix	trans	-57.1	-51.9	-174.1	0	0	0	0	0	112.6	L387 L388 A393 I394 E395	L387-A391 HydrophobicContact CB-CB 4.47Å; L388-A391 VanDerWaalsContact O-CB 3.26Å; L388-A391 WeakPolarHBondContact O-CB 2.88Å; L388-A391 PolarHBondContact O-N 3.03Å; L388-A391 VanDerWaalsContact O-N 3.13Å; A391-A393 PolarHBondContact O-N 2.67Å; A391-I394 VanDerWaalsContact O-CG2 3.22Å; A391-I394 WeakPolarHBondContact O-CG2 3.42Å; A391-I394 PolarHBondContact O-N 3.13Å; A391-E395 VanDerWaalsContact O-CB 3.29Å; A391-E395 WeakPolarHBondContact O-CB 3.22Å; A391-E395 VanDerWaalsContact O-CG 3.27Å; A391-E395 WeakPolarHBondContact O-CG 3.34Å; A391-E395 PolarHBondContact O-N 3.39Å
392	G	98.8	Very high	98.8	Very high	0 Å²	0	0.5 Å²	0.5	0%	0	0%	0.003	C	C	.	.	H	α-helix	trans	-62	-28.4	179.3	0	0	0	0	0	114.2	A390 A396 S445	A390-G392 PolarHBondContact O-N 2.92Å; G392-A396 VanDerWaalsContact O-CB 3.26Å; G392-A396 WeakPolarHBondContact O-CB 3.26Å; G392-A396 PolarHBondContact O-N 2.52Å; G392-S445 VanDerWaalsContact CA-OG 3.29Å; G392-S445 WeakPolarHBondContact CA-OG 3.36Å
393	A	98.9	Very high	98.8	Very high	0 Å²	0	0.5 Å²	0.5	0%	0	0%	0.003	C	C	.	.	H	α-helix	trans	-78.1	-44.8	178.6	0	0	0	0	0	112.1	A282 A390 A391 E395 A396 A397	A282-A393 HydrophobicContact CB-CB 3.91Å; A390-A393 PolarHBondContact O-N 3.27Å; A390-A393 VanDerWaalsContact O-N 3.13Å; A391-A393 PolarHBondContact O-N 2.67Å; A393-E395 VanDerWaalsContact C-N 3.29Å; A393-E395 PolarHBondContact O-N 3.26Å; A393-A396 PolarHBondContact O-N 3.35Å; A393-A397 PolarHBondContact O-N 3.31Å
394	I	98.9	Very high	98.8	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-66.7	-34.8	176.5	-168	166.7	0	0	0	111.1	L50 A282 T384 L387 A390 A391 A397 F398	L50-I394 HydrophobicContact CD2-CG1 4.15Å; A282-I394 HydrophobicContact CB-CB 3.78Å; A282-I394 HydrophobicContact CB-CG1 4.43Å; T384-I394 HydrophobicContact CG2-CD1 4.17Å; L387-I394 HydrophobicContact CD2-CD1 4.03Å; L387-I394 HydrophobicContact CD2-CG2 4.17Å; A390-I394 PolarHBondContact O-N 3.18Å; A391-I394 VanDerWaalsContact O-CG2 3.22Å; A391-I394 WeakPolarHBondContact O-CG2 3.42Å; A391-I394 PolarHBondContact O-N 3.13Å; I394-A397 WeakPolarHBondContact O-CB 3.39Å; I394-A397 PolarHBondContact O-N 3.11Å; I394-F398 HydrophobicContact CD1-CE1 4.46Å; I394-F398 HydrophobicContact CD1-CE2 4Å; I394-F398 HydrophobicContact CD1-CZ 3.66Å; I394-F398 HydrophobicContact CG1-CD2 4.23Å; I394-F398 HydrophobicContact CG1-CE1 4.03Å; I394-F398 HydrophobicContact CG1-CE2 3.61Å; I394-F398 HydrophobicContact CG1-CZ 3.49Å; I394-F398 VanDerWaalsContact CG1-CZ 3.49Å; I394-F398 WeakPolarHBondContact O-CD2 3.49Å; I394-F398 VanDerWaalsContact O-CG 3.3Å; I394-F398 WeakPolarHBondContact O-CG 3.42Å; I394-F398 PolarHBondContact O-N 3.49Å
395	E	98.9	Very high	98.8	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-70.6	-36.2	175.9	-73	151.3	-154.4	0	0	111.9	N347 K381 A391 A393 F398 T399	N347-E395 PolarHBondContact ND2-O 3.41Å; K381-E395 WeakPolarHBondContact CE-OE1 3.49Å; K381-E395 IonicContact NZ-OE1 2.64Å; K381-E395 PolarHBondContact NZ-OE1 2.86Å; K381-E395 IonicContact NZ-OE2 2.86Å; K381-E395 PolarHBondContact NZ-OE2 3.05Å; A391-E395 VanDerWaalsContact O-CB 3.29Å; A391-E395 WeakPolarHBondContact O-CB 3.22Å; A391-E395 VanDerWaalsContact O-CG 3.27Å; A391-E395 WeakPolarHBondContact O-CG 3.34Å; A391-E395 PolarHBondContact O-N 3.39Å; A393-E395 VanDerWaalsContact C-N 3.29Å; A393-E395 PolarHBondContact O-N 3.26Å; E395-F398 PolarHBondContact O-N 3.28Å; E395-T399 VanDerWaalsContact O-CB 3.3Å; E395-T399 WeakPolarHBondContact O-CB 3.48Å; E395-T399 PolarHBondContact O-N 2.95Å; E395-T399 PolarHBondContact O-OG1 2.93Å
396	A	98.9	Very high	98.8	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-62.8	-40.8	169.3	0	0	0	0	0	112.2	L284 G392 A393 T399 T400 T443 L455 F457	L284-A396 HydrophobicContact CD1-CB 4.44Å; L284-A396 HydrophobicContact CD2-CB 4.47Å; G392-A396 VanDerWaalsContact O-CB 3.26Å; G392-A396 WeakPolarHBondContact O-CB 3.26Å; G392-A396 PolarHBondContact O-N 2.52Å; A393-A396 PolarHBondContact O-N 3.35Å; A396-T399 PolarHBondContact O-N 2.96Å; A396-T400 WeakPolarHBondContact O-CB 3.37Å; A396-T400 PolarHBondContact O-N 3.27Å; A396-T400 PolarHBondContact O-OG1 2.97Å; A396-T443 HydrophobicContact CB-CG2 4.3Å; A396-L455 HydrophobicContact CB-CD1 4.23Å; A396-F457 HydrophobicContact CB-CE2 4Å; A396-F457 HydrophobicContact CB-CZ 3.88Å
397	A	98.9	Very high	98.8	Very high	0 Å²	0	12 Å²	12	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-62.8	-47.7	173.9	0	0	0	0	0	111.9	I48 L50 A393 I394 T399 T400 L401	I48-A397 HydrophobicContact CG2-CB 3.67Å; L50-A397 HydrophobicContact CD2-CB 3.8Å; A393-A397 PolarHBondContact O-N 3.31Å; I394-A397 WeakPolarHBondContact O-CB 3.39Å; I394-A397 PolarHBondContact O-N 3.11Å; A397-T399 VanDerWaalsContact C-N 3.31Å; A397-T399 PolarHBondContact O-N 3.36Å; A397-T400 WeakPolarHBondContact O-CB 3.29Å; A397-T400 PolarHBondContact O-N 3.42Å; A397-L401 VanDerWaalsContact O-CG 3.29Å; A397-L401 WeakPolarHBondContact O-CG 3.43Å; A397-L401 PolarHBondContact O-N 2.88Å
398	F	98.9	Very high	98.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-62.7	-37.4	176	-64.1	-26.4	0	0	0	112.9	L50 V61 W62 L65 T380 T384 I394 E395 L401 S402	L50-F398 HydrophobicContact CD1-CD1 4.48Å; L50-F398 HydrophobicContact CD1-CE1 3.84Å; V61-F398 HydrophobicContact CG1-CE1 3.8Å; V61-F398 HydrophobicContact CG1-CZ 3.9Å; W62-F398 HydrophobicContact CE3-CD1 4.11Å; W62-F398 HydrophobicContact CZ3-CB 4.26Å; W62-F398 HydrophobicContact CZ3-CD1 4.39Å; L65-F398 HydrophobicContact CD2-CB 4.3Å; L65-F398 HydrophobicContact CD2-CD1 3.68Å; L65-F398 HydrophobicContact CD2-CD2 3.7Å; L65-F398 HydrophobicContact CD2-CE1 3.8Å; L65-F398 HydrophobicContact CD2-CE2 3.79Å; L65-F398 HydrophobicContact CD2-CG 3.63Å; L65-F398 HydrophobicContact CD2-CZ 3.85Å; T380-F398 HydrophobicContact CG2-CD2 3.84Å; T380-F398 HydrophobicContact CG2-CE2 4.44Å; T384-F398 HydrophobicContact CG2-CE2 3.94Å; T384-F398 HydrophobicContact CG2-CZ 4.12Å; I394-F398 HydrophobicContact CD1-CE1 4.46Å; I394-F398 HydrophobicContact CD1-CE2 4Å; I394-F398 HydrophobicContact CD1-CZ 3.66Å; I394-F398 HydrophobicContact CG1-CD2 4.23Å; I394-F398 HydrophobicContact CG1-CE1 4.03Å; I394-F398 HydrophobicContact CG1-CE2 3.61Å; I394-F398 HydrophobicContact CG1-CZ 3.49Å; I394-F398 VanDerWaalsContact CG1-CZ 3.49Å; I394-F398 WeakPolarHBondContact O-CD2 3.49Å; I394-F398 VanDerWaalsContact O-CG 3.3Å; I394-F398 WeakPolarHBondContact O-CG 3.42Å; I394-F398 PolarHBondContact O-N 3.49Å; E395-F398 PolarHBondContact O-N 3.28Å; F398-L401 HydrophobicContact CD1-CD1 4.39Å; F398-L401 PolarHBondContact O-N 2.94Å; F398-S402 WeakPolarHBondContact O-CB 3.19Å; F398-S402 PolarHBondContact O-N 3.24Å; F398-S402 PolarHBondContact O-OG 2.95Å
399	T	98.9	Very high	98.8	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-67	-40.5	176.2	-56.7	0	0	0	0	111.3	N347 E395 A396 A397 S402 C403 A441 T443 F457	N347-T399 VanDerWaalsContact CB-OG1 3.23Å; N347-T399 WeakPolarHBondContact CB-OG1 3.28Å; N347-T399 PolarHBondContact ND2-OG1 3.29Å; E395-T399 VanDerWaalsContact O-CB 3.3Å; E395-T399 WeakPolarHBondContact O-CB 3.48Å; E395-T399 PolarHBondContact O-N 2.95Å; E395-T399 PolarHBondContact O-OG1 2.93Å; A396-T399 PolarHBondContact O-N 2.96Å; A397-T399 VanDerWaalsContact C-N 3.31Å; A397-T399 PolarHBondContact O-N 3.36Å; T399-S402 WeakPolarHBondContact O-CB 3.42Å; T399-S402 PolarHBondContact O-N 2.92Å; T399-C403 PolarHBondContact O-N 3.33Å; T399-C403 PolarHBondContact O-SG 2.99Å; T399-A441 HydrophobicContact CG2-CB 3.48Å; T399-A441 VanDerWaalsContact CG2-CB 3.48Å; T399-T443 WeakPolarHBondContact OG1-CB 3.48Å; T399-F457 HydrophobicContact CG2-CB 4.35Å; T399-F457 HydrophobicContact CG2-CD2 4.1Å
400	T	98.9	Very high	98.9	Very high	0 Å²	0	12 Å²	12	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-61.1	-47.7	173.5	-64.4	0	0	0	0	111.2	V45 I48 Y300 A301 A396 A397 S402 C403 Y404 F457	V45-T400 HydrophobicContact CB-CG2 4.02Å; V45-T400 HydrophobicContact CG1-CG2 4.02Å; V45-T400 HydrophobicContact CG2-CG2 4.21Å; I48-T400 HydrophobicContact CD1-CG2 3.81Å; Y300-T400 VanDerWaalsContact CB-CG2 3.44Å; Y300-T400 HydrophobicContact CG-CG2 4.29Å; A301-T400 HydrophobicContact CB-CG2 3.82Å; A396-T400 WeakPolarHBondContact O-CB 3.37Å; A396-T400 PolarHBondContact O-N 3.27Å; A396-T400 PolarHBondContact O-OG1 2.97Å; A397-T400 WeakPolarHBondContact O-CB 3.29Å; A397-T400 PolarHBondContact O-N 3.42Å; T400-S402 VanDerWaalsContact C-N 3.31Å; T400-S402 PolarHBondContact O-N 3.35Å; T400-C403 WeakPolarHBondContact O-CB 3.21Å; T400-C403 PolarHBondContact O-N 2.91Å; T400-Y404 PolarHBondContact O-N 3.32Å; T400-F457 WeakPolarHBondContact OG1-CD1 3.37Å; T400-F457 WeakPolarHBondContact OG1-CE1 3.43Å
401	L	98.9	Very high	98.9	Very high	0 Å²	0	12 Å²	12	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-64	-36.2	176.6	-68	164.8	0	0	0	112	I48 T58 W62 Y300 A397 F398 Y404 Y405	I48-L401 HydrophobicContact CD1-CD2 3.98Å; I48-L401 HydrophobicContact CD1-CG 3.92Å; T58-L401 HydrophobicContact CG2-CD1 3.98Å; T58-L401 HydrophobicContact CG2-CD2 4.15Å; W62-L401 HydrophobicContact CB-CD1 4.11Å; W62-L401 HydrophobicContact CD2-CB 3.9Å; W62-L401 HydrophobicContact CD2-CD1 3.96Å; W62-L401 HydrophobicContact CD2-CG 4.48Å; W62-L401 HydrophobicContact CE3-CB 3.79Å; W62-L401 HydrophobicContact CE3-CD1 3.75Å; W62-L401 HydrophobicContact CE3-CG 4.43Å; W62-L401 HydrophobicContact CG-CD1 4.13Å; W62-L401 HydrophobicContact CH2-CB 4.05Å; W62-L401 HydrophobicContact CZ2-CB 4.13Å; W62-L401 HydrophobicContact CZ3-CB 3.87Å; Y300-L401 HydrophobicContact CD1-CD2 4.43Å; Y300-L401 HydrophobicContact CE1-CD2 4.21Å; A397-L401 VanDerWaalsContact O-CG 3.29Å; A397-L401 WeakPolarHBondContact O-CG 3.43Å; A397-L401 PolarHBondContact O-N 2.88Å; F398-L401 HydrophobicContact CD1-CD1 4.39Å; F398-L401 PolarHBondContact O-N 2.94Å; L401-Y404 PolarHBondContact O-N 3.49Å; L401-Y405 HydrophobicContact CB-CD2 4.29Å; L401-Y405 HydrophobicContact CD2-CD2 4.31Å; L401-Y405 HydrophobicContact CD2-CE2 3.81Å; L401-Y405 WeakPolarHBondContact O-CB 3.34Å; L401-Y405 WeakPolarHBondContact O-CD2 3.45Å; L401-Y405 PolarHBondContact O-N 3.45Å
402	S	98.9	Very high	98.9	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-63.7	-42.1	174.1	-55	0	0	0	0	111.3	W62 F398 T399 T400 Y404 G406 I407 P409	W62-S402 WeakPolarHBondContact CH2-OG 3.16Å; F398-S402 WeakPolarHBondContact O-CB 3.19Å; F398-S402 PolarHBondContact O-N 3.24Å; F398-S402 PolarHBondContact O-OG 2.95Å; T399-S402 WeakPolarHBondContact O-CB 3.42Å; T399-S402 PolarHBondContact O-N 2.92Å; T400-S402 VanDerWaalsContact C-N 3.31Å; T400-S402 PolarHBondContact O-N 3.35Å; S402-Y404 VanDerWaalsContact C-N 3.33Å; S402-G406 VanDerWaalsContact O-CA 3.3Å; S402-G406 WeakPolarHBondContact O-CA 3.42Å; S402-G406 PolarHBondContact O-N 3.4Å; S402-I407 WeakPolarHBondContact CA-O 3.14Å; S402-I407 VanDerWaalsContact CB-O 3.3Å; S402-I407 WeakPolarHBondContact CB-O 3.43Å; S402-I407 PolarHBondContact OG-O 3.07Å; S402-P409 WeakPolarHBondContact OG-CD 3.25Å
403	C	98.8	Very high	98.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-63.2	-40.3	174.1	-66.8	0	0	0	0	111.4	A301 T399 T400 R439 S459	A301-C403 HydrophobicContact CB-CB 4.22Å; T399-C403 PolarHBondContact O-N 3.33Å; T399-C403 PolarHBondContact O-SG 2.99Å; T400-C403 WeakPolarHBondContact O-CB 3.21Å; T400-C403 PolarHBondContact O-N 2.91Å; C403-R439 VanDerWaalsContact O-CZ 3.29Å; C403-R439 PolarHBondContact O-NE 3.21Å; C403-R439 PolarHBondContact O-NH2 3.21Å; C403-S459 WeakPolarHBondContact O-CB 3.45Å
404	Y	98.8	Very high	98.8	Very high	91 Å²	91	14 Å²	14	36%	0.357	6%	0.064	S	C	.	.	H	α-helix	trans	-69.5	-54.9	-179.5	-173.3	-107.9	0	0	0	112.3	Y300 T400 L401 S402 R439	Y300-Y404 AromaticContact CD1-CD1 3.91Å; Y300-Y404 HydrophobicContact CD1-CD1 3.91Å; Y300-Y404 AromaticContact CD1-CD2 3.93Å; Y300-Y404 HydrophobicContact CD1-CD2 3.93Å; Y300-Y404 HydrophobicContact CD1-CE1 4.28Å; Y300-Y404 HydrophobicContact CD1-CE2 4.29Å; Y300-Y404 AromaticContact CD1-CG 3.71Å; Y300-Y404 HydrophobicContact CD1-CG 3.71Å; Y300-Y404 HydrophobicContact CE1-CD1 4.22Å; Y300-Y404 HydrophobicContact CE1-CE1 4.31Å; Y300-Y404 HydrophobicContact CE1-CG 4.47Å; T400-Y404 PolarHBondContact O-N 3.32Å; L401-Y404 PolarHBondContact O-N 3.49Å; S402-Y404 VanDerWaalsContact C-N 3.33Å; Y404-R439 PolarHBondContact O-NH2 3.25Å
405	Y	98.6	Very high	98.7	Very high	90 Å²	90	20.2 Å²	20.2	35%	0.353	9%	0.093	S	C	.	.	H	α-helix	trans	-84.2	-16.9	-174.2	-69.6	-59.9	0	0	0	114.5	Q59 W62 L401 I407	Q59-Y405 PolarHBondContact OE1-OH 2.84Å; W62-Y405 AromaticContact CD1-CD2 3.9Å; W62-Y405 AromaticContact CD1-CE2 3.77Å; W62-Y405 AromaticContact CE2-CD2 3.78Å; W62-Y405 HydrophobicContact CZ2-CD2 4.18Å; W62-Y405 AromaticContact NE1-CD2 3.23Å; W62-Y405 AromaticContact NE1-CE2 3.6Å; L401-Y405 HydrophobicContact CB-CD2 4.29Å; L401-Y405 HydrophobicContact CD2-CD2 4.31Å; L401-Y405 HydrophobicContact CD2-CE2 3.81Å; L401-Y405 WeakPolarHBondContact O-CB 3.34Å; L401-Y405 WeakPolarHBondContact O-CD2 3.45Å; L401-Y405 PolarHBondContact O-N 3.45Å; Y405-I407 VanDerWaalsContact C-N 3.34Å
406	G	98.5	Very high	98.7	Very high	9 Å²	9	27.1 Å²	27.1	9%	0.093	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	36.4	-174.5	0	0	0	0	0	112.8	S402 W433	S402-G406 VanDerWaalsContact O-CA 3.3Å; S402-G406 WeakPolarHBondContact O-CA 3.42Å; S402-G406 PolarHBondContact O-N 3.4Å; G406-W433 WeakPolarHBondContact O-CB 3.47Å; G406-W433 PolarHBondContact O-N 3.38Å
407	I	98.8	Very high	98.6	Very high	56 Å²	56	29.8 Å²	29.8	29%	0.287	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	134.9	177.6	-54.5	174.2	0	0	0	108.6	W62 L66 S402 Y405 A430	W62-I407 HydrophobicContact CZ2-CB 4.46Å; L66-I407 HydrophobicContact CD1-CB 4.4Å; L66-I407 HydrophobicContact CD1-CD1 4.14Å; L66-I407 HydrophobicContact CD1-CG2 3.97Å; L66-I407 HydrophobicContact CD2-CB 4.48Å; L66-I407 HydrophobicContact CD2-CG2 3.67Å; L66-I407 HydrophobicContact CG-CG2 4.45Å; S402-I407 WeakPolarHBondContact CA-O 3.14Å; S402-I407 VanDerWaalsContact CB-O 3.3Å; S402-I407 WeakPolarHBondContact CB-O 3.43Å; S402-I407 PolarHBondContact OG-O 3.07Å; Y405-I407 VanDerWaalsContact C-N 3.34Å; I407-A430 HydrophobicContact CG2-CB 4.18Å
408	L	98.9	Very high	98.3	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.021	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	127.3	179.1	-56.2	-176.6	0	0	0	110.5	Y345 A376 V426 A430 Q431 W433	Y345-L408 HydrophobicContact CD1-CD2 3.65Å; Y345-L408 HydrophobicContact CD2-CD1 4.12Å; Y345-L408 HydrophobicContact CD2-CD2 3.6Å; Y345-L408 HydrophobicContact CD2-CG 4.38Å; Y345-L408 HydrophobicContact CE1-CD2 4Å; Y345-L408 HydrophobicContact CE2-CD2 3.95Å; Y345-L408 HydrophobicContact CG-CD2 3.46Å; Y345-L408 VanDerWaalsContact CG-CD2 3.46Å; A376-L408 HydrophobicContact CB-CD1 3.29Å; L408-V426 HydrophobicContact CB-CG1 4.26Å; L408-V426 HydrophobicContact CB-CG2 4.24Å; L408-V426 HydrophobicContact CD1-CG2 4.16Å; L408-A430 VanDerWaalsContact O-CA 3.25Å; L408-A430 WeakPolarHBondContact O-CA 3.31Å; L408-A430 WeakPolarHBondContact O-CB 2.98Å; L408-Q431 HydrophobicContact CB-CB 4.44Å; L408-Q431 PolarHBondContact N-O 2.99Å; L408-Q431 PolarHBondContact O-N 3.49Å; L408-W433 HydrophobicContact CD1-CB 4.45Å; L408-W433 HydrophobicContact CD1-CG 4.29Å; L408-W433 HydrophobicContact CD2-CB 3.91Å; L408-W433 HydrophobicContact CD2-CD2 3.39Å; L408-W433 HydrophobicContact CD2-CE3 3.29Å; L408-W433 HydrophobicContact CD2-CG 3.67Å; L408-W433 HydrophobicContact CD2-CZ3 4.04Å; L408-W433 HydrophobicContact CG-CB 3.86Å; L408-W433 HydrophobicContact CG-CD2 4.24Å; L408-W433 HydrophobicContact CG-CE3 4.44Å; L408-W433 HydrophobicContact CG-CG 3.99Å
409	P	98.9	Very high	98.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-72.1	147.9	176.4	31	-35.4	0	0	0	111.4	L65 L66 Y345 S378 T380 S402	L65-P409 HydrophobicContact CD1-CB 4.21Å; L65-P409 HydrophobicContact CD2-CB 3.62Å; L65-P409 HydrophobicContact CD2-CG 4.23Å; L65-P409 HydrophobicContact CG-CB 3.72Å; L66-P409 HydrophobicContact CD2-CB 4.36Å; Y345-P409 WeakPolarHBondContact OH-CD 3.48Å; Y345-P409 WeakPolarHBondContact OH-CG 3.32Å; S378-P409 WeakPolarHBondContact CB-O 3.45Å; S378-P409 PolarHBondContact OG-O 2.94Å; T380-P409 HydrophobicContact CG2-CB 3.87Å; T380-P409 HydrophobicContact CG2-CG 3.57Å; S402-P409 WeakPolarHBondContact OG-CD 3.25Å
410	P	98.8	Very high	97.9	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.006	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-74.8	152.4	-176.9	28.9	-33.2	0	0	0	113.6	L412 V426	P410-L412 HydrophobicContact CB-CD2 4.18Å; P410-L412 HydrophobicContact CG-CD2 3.83Å; P410-L412 PolarHBondContact O-N 2.97Å; P410-V426 CarbonylContact C-O 3.6Å; P410-V426 VanDerWaalsContact CA-O 3.29Å; P410-V426 WeakPolarHBondContact CA-O 3.14Å
411	T	98.9	Very high	97.8	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-82.4	107.2	155.9	-55.3	0	0	0	0	108.8	P267 F268 S378 S379 L414 Y425 V426 L428	P267-T411 HydrophobicContact CB-CG2 3.99Å; P267-T411 HydrophobicContact CG-CG2 4.35Å; F268-T411 HydrophobicContact CD2-CG2 4.11Å; S378-T411 VanDerWaalsContact CA-OG1 3.24Å; S378-T411 WeakPolarHBondContact CA-OG1 3Å; S378-T411 WeakPolarHBondContact CB-OG1 3.42Å; S379-T411 PolarHBondContact N-OG1 3.11Å; T411-L414 HydrophobicContact CG2-CB 4.19Å; T411-L414 HydrophobicContact CG2-CD2 4.39Å; T411-Y425 WeakPolarHBondContact CB-O 3.46Å; T411-Y425 PolarHBondContact OG1-O 2.73Å; T411-V426 PolarHBondContact N-O 3.43Å; T411-L428 PolarHBondContact O-N 3.15Å
412	L	98.8	Very high	97.8	Very high	12 Å²	12	46.3 Å²	46.3	6%	0.063	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	154.3	177.7	-59.2	-173.5	0	0	0	112	G68 D69 A383 P410 L414	G68-L412 WeakPolarHBondContact O-CD1 3.32Å; D69-L412 WeakPolarHBondContact O-CD1 3.49Å; A383-L412 HydrophobicContact CB-CD1 3.84Å; P410-L412 HydrophobicContact CB-CD2 4.18Å; P410-L412 HydrophobicContact CG-CD2 3.83Å; P410-L412 PolarHBondContact O-N 2.97Å; L412-L414 PolarHBondContact O-N 2.6Å; L412-L414 VanDerWaalsContact O-N 3.08Å
413	N	98.6	Very high	97.7	Very high	20 Å²	20	47.2 Å²	47.2	11%	0.107	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	62	10.4	174.6	-53.2	-46.2	0	0	0	116.4	K262 M263 C265 R266 Q415	K262-N413 PolarHBondContact O-ND2 3.43Å; K262-N413 PolarHBondContact O-OD1 2.71Å; M263-N413 HydrophobicContact CE-CB 4.18Å; M263-N413 PolarHBondContact SD-OD1 2.74Å; C265-N413 PolarHBondContact O-ND2 2.93Å; R266-N413 HydrophobicContact CB-CB 3.69Å; N413-Q415 PolarHBondContact O-N 2.9Å; N413-Q415 VanDerWaalsContact O-N 3.07Å
414	L	98.5	Very high	97.7	Very high	11 Å²	11	50.3 Å²	50.3	6%	0.058	27%	0.27	C	S	.	.			trans	-78	90.2	174.3	-176.2	55.1	0	0	0	110.4	F268 D269 T411 L412 T417 Y425 P427	F268-L414 HydrophobicContact CB-CD1 4.18Å; F268-L414 HydrophobicContact CB-CD2 4.42Å; D269-L414 HydrophobicContact CB-CD1 3.87Å; T411-L414 HydrophobicContact CG2-CB 4.19Å; T411-L414 HydrophobicContact CG2-CD2 4.39Å; L412-L414 PolarHBondContact O-N 2.6Å; L412-L414 VanDerWaalsContact O-N 3.08Å; L414-T417 HydrophobicContact CD1-CG2 3.84Å; L414-T417 HydrophobicContact CD2-CG2 4.35Å; L414-T417 HydrophobicContact CG-CG2 4.39Å; L414-Y425 VanDerWaalsContact CD2-CB 3.41Å; L414-Y425 HydrophobicContact CD2-CD2 4.12Å; L414-Y425 HydrophobicContact CD2-CG 4.02Å; L414-P427 HydrophobicContact CB-CB 4.42Å; L414-P427 HydrophobicContact CD2-CB 4.15Å; L414-P427 HydrophobicContact CG-CB 4.39Å
415	Q	97.1	Very high	97.7	Very high	130 Å²	130	46.2 Å²	46.2	61%	0.607	25%	0.254	S	S	*	.			trans	-93.7	-37.3	-177.7	-62.6	-62.3	-36	0	0	111.6	D269 N413	D269-Q415 PolarHBondContact OD2-N 3.4Å; N413-Q415 PolarHBondContact O-N 2.9Å; N413-Q415 VanDerWaalsContact O-N 3.07Å
416	K	97.3	Very high	97.7	Very high	145 Å²	145	42 Å²	42	63%	0.63	24%	0.237	S	C	*	.			trans	-150.7	120.3	-178	-177.9	178.4	177.5	-175.7	0	111	D269 S270	D269-K416 PolarHBondContact OD2-N 3.05Å; S270-K416 WeakPolarHBondContact CB-O 3.48Å; S270-K416 PolarHBondContact N-O 3.01Å; S270-K416 PolarHBondContact OG-O 3.43Å
417	T	97.4	Very high	97.7	Very high	56 Å²	56	44.1 Å²	44.1	34%	0.344	25%	0.249	S	C	.	.			trans	-79.7	165.9	169.5	56	0	0	0	0	111.9	L414 F421 Y425	L414-T417 HydrophobicContact CD1-CG2 3.84Å; L414-T417 HydrophobicContact CD2-CG2 4.35Å; L414-T417 HydrophobicContact CG-CG2 4.39Å; T417-F421 WeakPolarHBondContact CB-O 3.45Å; T417-F421 HydrophobicContact CG2-CB 4.12Å; T417-F421 PolarHBondContact OG1-O 3.39Å; T417-Y425 HydrophobicContact CG2-CD2 4.11Å; T417-Y425 HydrophobicContact CG2-CE2 4.16Å
418	E	94.1	Very high	97.7	Very high	81 Å²	81	45 Å²	45	38%	0.379	25%	0.254	S	S	.	.			trans	-108.2	172.9	171.4	67	-170.7	141.3	0	0	111.7	R272 G420 F421	R272-E418 IonicContact CZ-OE1 2.98Å; R272-E418 IonicContact NH1-OE1 2.74Å; R272-E418 PolarHBondContact NH1-OE1 3.18Å; R272-E418 IonicContact NH2-OE1 3.3Å; R272-E418 PolarHBondContact NH2-OE1 3.32Å; E418-G420 PolarHBondContact O-N 2.86Å; E418-F421 HydrophobicContact CG-CD2 3.34Å; E418-F421 HydrophobicContact CG-CE2 3.52Å; E418-F421 HydrophobicContact CG-CG 4.36Å; E418-F421 PolarHBondContact O-N 3.3Å; E418-F421 VanDerWaalsContact O-N 3.08Å; E418-F421 VanDerWaalsContact OE1-CE2 3.25Å; E418-F421 WeakPolarHBondContact OE1-CE2 3.38Å
419	A	94.6	Very high	97.7	Very high	104 Å²	104	49.3 Å²	49.3	86%	0.86	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	132.1	-179	0	0	0	0	0	111.4
420	G	93.8	Very high	97.7	Very high	40 Å²	40	50.9 Å²	50.9	41%	0.412	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.6	-13.3	-177.6	0	0	0	0	0	115	N361 K365 E418 D422	N361-G420 PolarHBondContact ND2-O 3.26Å; K365-G420 PolarHBondContact NZ-O 3.34Å; K365-G420 VanDerWaalsContact NZ-O 3.11Å; E418-G420 PolarHBondContact O-N 2.86Å; G420-D422 PolarHBondContact O-N 3.37Å
421	F	97.8	Very high	97.7	Very high	12 Å²	12	53.4 Å²	53.4	5%	0.053	31%	0.306	C	S	.	.			trans	-94.5	81.9	169.7	-68.5	-100.7	0	0	0	110.1	F268 R272 D357 A358 N361 T417 E418 Y425	F268-F421 HydrophobicContact CB-CD1 4Å; F268-F421 HydrophobicContact CB-CE1 4.34Å; F268-F421 AromaticContact CD1-CD1 3.99Å; F268-F421 HydrophobicContact CD1-CD1 3.99Å; F268-F421 AromaticContact CD1-CE1 3.86Å; F268-F421 HydrophobicContact CD1-CE1 3.86Å; F268-F421 HydrophobicContact CG-CD1 4.43Å; R272-F421 VanDerWaalsContact NH2-CZ 3.33Å; D357-F421 HydrophobicContact CB-CE1 4.44Å; A358-F421 HydrophobicContact CB-CE2 4.44Å; A358-F421 HydrophobicContact CB-CZ 3.89Å; N361-F421 HydrophobicContact CB-CD1 4.03Å; N361-F421 HydrophobicContact CB-CE1 3.73Å; N361-F421 HydrophobicContact CB-CZ 4.39Å; T417-F421 WeakPolarHBondContact CB-O 3.45Å; T417-F421 HydrophobicContact CG2-CB 4.12Å; T417-F421 PolarHBondContact OG1-O 3.39Å; E418-F421 HydrophobicContact CG-CD2 3.34Å; E418-F421 HydrophobicContact CG-CE2 3.52Å; E418-F421 HydrophobicContact CG-CG 4.36Å; E418-F421 PolarHBondContact O-N 3.3Å; E418-F421 VanDerWaalsContact O-N 3.08Å; E418-F421 VanDerWaalsContact OE1-CE2 3.25Å; E418-F421 WeakPolarHBondContact OE1-CE2 3.38Å; F421-Y425 VanDerWaalsContact C-OH 3.29Å; F421-Y425 WeakPolarHBondContact CA-OH 3.33Å; F421-Y425 HydrophobicContact CB-CE2 3.92Å
422	D	97.2	Very high	97.6	Very high	111 Å²	111	59.8 Å²	59.8	59%	0.594	34%	0.336	S	S	*	.			trans	-123.7	14.1	-170.2	59.6	-1	0	0	0	113.5	K365 G420 Y425	K365-D422 WeakPolarHBondContact CE-OD1 3.26Å; K365-D422 IonicContact NZ-OD1 3.79Å; K365-D422 PolarHBondContact NZ-OD1 2.95Å; K365-D422 IonicContact NZ-OD2 3.54Å; K365-D422 PolarHBondContact NZ-OD2 3.15Å; G420-D422 PolarHBondContact O-N 3.37Å; D422-Y425 PolarHBondContact N-OH 3.49Å
423	L	98.3	Very high	97.6	Very high	18 Å²	18	59.9 Å²	59.9	9%	0.094	34%	0.335	C	S	.	.	S	Bend	trans	-81.6	165.6	173.9	-52.4	178.5	0	0	0	111.3	N361 I364 K365 A372 V377 Y425	N361-L423 WeakPolarHBondContact OD1-CD1 3.11Å; I364-L423 HydrophobicContact CB-CD1 4.47Å; I364-L423 HydrophobicContact CG2-CD1 3.75Å; K365-L423 HydrophobicContact CD-CD2 4.45Å; K365-L423 HydrophobicContact CG-CD1 4.23Å; K365-L423 HydrophobicContact CG-CD2 3.99Å; K365-L423 HydrophobicContact CG-CG 4.34Å; A372-L423 HydrophobicContact CB-CD2 3.84Å; A372-L423 WeakPolarHBondContact O-CD2 3.19Å; V377-L423 HydrophobicContact CG2-CD1 3.9Å; L423-Y425 HydrophobicContact CB-CD1 4.34Å; L423-Y425 HydrophobicContact CB-CE1 3.77Å; L423-Y425 HydrophobicContact CB-CE2 4.06Å; L423-Y425 HydrophobicContact CD1-CE1 4.13Å; L423-Y425 HydrophobicContact CG-CE1 4.24Å; L423-Y425 PolarHBondContact N-OH 3.07Å; L423-Y425 WeakPolarHBondContact O-CD2 3.48Å; L423-Y425 VanDerWaalsContact O-CE2 3.25Å; L423-Y425 WeakPolarHBondContact O-CE2 3.41Å; L423-Y425 PolarHBondContact O-N 3.27Å
424	N	98.5	Very high	97.3	Very high	65 Å²	65	66.8 Å²	66.8	35%	0.348	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-74.6	93.7	166	175.9	17.9	0	0	0	109.5	A376 V377 V426 Q431	A376-N424 CarbonylContact C-O 2.81Å; A376-N424 WeakPolarHBondContact CA-O 3.45Å; V377-N424 PolarHBondContact N-O 3.19Å; N424-V426 PolarHBondContact O-N 2.93Å; N424-V426 PolarHBondContact OD1-N 3.13Å; N424-V426 VanDerWaalsContact OD1-N 3.12Å; N424-Q431 PolarHBondContact ND2-OE1 3.21Å; N424-Q431 PolarHBondContact OD1-NE2 3.18Å; N424-Q431 PolarHBondContact OD1-OE1 2.82Å
425	Y	98.8	Very high	96.9	Very high	6 Å²	6	68.5 Å²	68.5	2%	0.024	38%	0.375	C	S	.	.			trans	-80.1	14.5	179.6	-58.5	-72.4	0	0	0	114.5	F268 N361 V377 T411 L414 T417 F421 D422 L423 P427	F268-Y425 HydrophobicContact CB-CD1 4.34Å; F268-Y425 HydrophobicContact CB-CG 4.45Å; F268-Y425 HydrophobicContact CD1-CD1 4.19Å; F268-Y425 HydrophobicContact CD1-CE1 4.05Å; F268-Y425 AromaticContact CD2-CD1 3.57Å; F268-Y425 HydrophobicContact CD2-CD1 3.57Å; F268-Y425 HydrophobicContact CD2-CE1 4.26Å; F268-Y425 HydrophobicContact CD2-CG 4.02Å; F268-Y425 HydrophobicContact CE1-CD1 4.37Å; F268-Y425 HydrophobicContact CE1-CE1 4.26Å; F268-Y425 AromaticContact CE2-CD1 3.8Å; F268-Y425 HydrophobicContact CE2-CD1 3.8Å; F268-Y425 HydrophobicContact CE2-CE1 4.48Å; F268-Y425 AromaticContact CG-CD1 3.77Å; F268-Y425 HydrophobicContact CG-CD1 3.77Å; F268-Y425 HydrophobicContact CG-CE1 4.03Å; F268-Y425 HydrophobicContact CG-CG 4.28Å; F268-Y425 HydrophobicContact CZ-CD1 4.17Å; F268-Y425 HydrophobicContact CZ-CE1 4.46Å; N361-Y425 PolarHBondContact OD1-OH 2.67Å; V377-Y425 HydrophobicContact CB-CD1 4.21Å; V377-Y425 HydrophobicContact CG1-CD1 4.39Å; V377-Y425 CarbonylContact O-C 3.6Å; V377-Y425 WeakPolarHBondContact O-CA 3.32Å; V377-Y425 VanDerWaalsContact O-O 3.08Å; T411-Y425 WeakPolarHBondContact CB-O 3.46Å; T411-Y425 PolarHBondContact OG1-O 2.73Å; L414-Y425 VanDerWaalsContact CD2-CB 3.41Å; L414-Y425 HydrophobicContact CD2-CD2 4.12Å; L414-Y425 HydrophobicContact CD2-CG 4.02Å; T417-Y425 HydrophobicContact CG2-CD2 4.11Å; T417-Y425 HydrophobicContact CG2-CE2 4.16Å; F421-Y425 VanDerWaalsContact C-OH 3.29Å; F421-Y425 WeakPolarHBondContact CA-OH 3.33Å; F421-Y425 HydrophobicContact CB-CE2 3.92Å; D422-Y425 PolarHBondContact N-OH 3.49Å; L423-Y425 HydrophobicContact CB-CD1 4.34Å; L423-Y425 HydrophobicContact CB-CE1 3.77Å; L423-Y425 HydrophobicContact CB-CE2 4.06Å; L423-Y425 HydrophobicContact CD1-CE1 4.13Å; L423-Y425 HydrophobicContact CG-CE1 4.24Å; L423-Y425 PolarHBondContact N-OH 3.07Å; L423-Y425 WeakPolarHBondContact O-CD2 3.48Å; L423-Y425 VanDerWaalsContact O-CE2 3.25Å; L423-Y425 WeakPolarHBondContact O-CE2 3.41Å; L423-Y425 PolarHBondContact O-N 3.27Å; Y425-P427 VanDerWaalsContact C-N 3.35Å
426	V	98.7	Very high	96.4	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	39%	0.392	C	S	.	.			trans	46.7	55.2	-172.5	-165.2	0	0	0	0	111	A376 V377 L408 P410 T411 N424 L428 Q431	A376-V426 HydrophobicContact CB-CG2 3.92Å; V377-V426 PolarHBondContact O-N 3.06Å; L408-V426 HydrophobicContact CB-CG1 4.26Å; L408-V426 HydrophobicContact CB-CG2 4.24Å; L408-V426 HydrophobicContact CD1-CG2 4.16Å; P410-V426 CarbonylContact C-O 3.6Å; P410-V426 VanDerWaalsContact CA-O 3.29Å; P410-V426 WeakPolarHBondContact CA-O 3.14Å; T411-V426 PolarHBondContact N-O 3.43Å; N424-V426 PolarHBondContact O-N 2.93Å; N424-V426 PolarHBondContact OD1-N 3.13Å; N424-V426 VanDerWaalsContact OD1-N 3.12Å; V426-L428 PolarHBondContact O-N 3.18Å; V426-Q431 HydrophobicContact CG1-CB 3.95Å; V426-Q431 HydrophobicContact CG1-CG 3.68Å
427	P	98.6	Very high	96.2	Very high	54 Å²	54	71.7 Å²	71.7	35%	0.351	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-67.4	130.7	-169	27.5	-34.7	0	0	0	111.3	L414 Y425 T429	L414-P427 HydrophobicContact CB-CB 4.42Å; L414-P427 HydrophobicContact CD2-CB 4.15Å; L414-P427 HydrophobicContact CG-CB 4.39Å; Y425-P427 VanDerWaalsContact C-N 3.35Å; P427-T429 PolarHBondContact O-N 3.42Å
428	L	98.4	Very high	96.1	Very high	74 Å²	74	73.2 Å²	73.2	39%	0.387	39%	0.39	S	S	.	.	S	Bend	trans	68.2	-42.3	166.7	-51	175.7	0	0	0	117.1	T411 V426	T411-L428 PolarHBondContact O-N 3.15Å; V426-L428 PolarHBondContact O-N 3.18Å
429	T	98.6	Very high	96.4	Very high	95 Å²	95	72.5 Å²	72.5	58%	0.583	38%	0.384	S	S	*	.	S	Bend	trans	-125.3	140.1	-175.2	55.9	0	0	0	0	111.5	P427	P427-T429 PolarHBondContact O-N 3.42Å
430	A	98.7	Very high	96.6	Very high	34 Å²	34	68 Å²	68	28%	0.281	35%	0.345	S	S	.	.			trans	-53.8	146.6	175.3	0	0	0	0	0	111.3	L66 I407 L408	L66-A430 HydrophobicContact CB-CB 4.4Å; L66-A430 HydrophobicContact CD2-CB 3.97Å; I407-A430 HydrophobicContact CG2-CB 4.18Å; L408-A430 VanDerWaalsContact O-CA 3.25Å; L408-A430 WeakPolarHBondContact O-CA 3.31Å; L408-A430 WeakPolarHBondContact O-CB 2.98Å
431	Q	98.7	Very high	96.8	Very high	53 Å²	53	66.1 Å²	66.1	25%	0.248	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	138.9	-179.5	-70.4	176.6	8.4	0	0	110.6	L408 N424 V426 W433	L408-Q431 HydrophobicContact CB-CB 4.44Å; L408-Q431 PolarHBondContact N-O 2.99Å; L408-Q431 PolarHBondContact O-N 3.49Å; N424-Q431 PolarHBondContact ND2-OE1 3.21Å; N424-Q431 PolarHBondContact OD1-NE2 3.18Å; N424-Q431 PolarHBondContact OD1-OE1 2.82Å; V426-Q431 HydrophobicContact CG1-CB 3.95Å; V426-Q431 HydrophobicContact CG1-CG 3.68Å; Q431-W433 PolarHBondContact O-N 3.24Å
432	E	98.4	Very high	96.8	Very high	135 Å²	135	65.6 Å²	65.6	63%	0.631	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	130.7	169.4	-171.1	-174.2	171.7	0	0	110	K434	E432-K434 VanDerWaalsContact C-N 3.34Å; E432-K434 HydrophobicContact CB-CG 4.4Å; E432-K434 HydrophobicContact CG-CG 4.05Å; E432-K434 PolarHBondContact O-N 2.9Å; E432-K434 WeakPolarHBondContact OE2-CE 3.1Å; E432-K434 IonicContact OE2-NZ 3.43Å; E432-K434 PolarHBondContact OE2-NZ 2.89Å
433	W	97.9	Very high	96.9	Very high	14 Å²	14	60.3 Å²	60.3	5%	0.053	30%	0.295	C	S	.	.			trans	-85.8	76.4	-179.1	-164.3	-8.5	0	0	0	111	T344 Y345 G406 L408 Q431 T435 R439 I440 A441	T344-W433 WeakPolarHBondContact OG1-CZ2 3.47Å; T344-W433 PolarHBondContact OG1-NE1 2.81Å; Y345-W433 HydrophobicContact CD1-CE3 4.35Å; Y345-W433 AromaticContact CD1-CH2 3.93Å; Y345-W433 HydrophobicContact CD1-CH2 3.93Å; Y345-W433 HydrophobicContact CD1-CZ2 4.49Å; Y345-W433 AromaticContact CD1-CZ3 3.79Å; Y345-W433 HydrophobicContact CD1-CZ3 3.79Å; Y345-W433 HydrophobicContact CG-CH2 4.19Å; Y345-W433 HydrophobicContact CG-CZ2 4.3Å; Y345-W433 HydrophobicContact CG-CZ3 4.3Å; G406-W433 WeakPolarHBondContact O-CB 3.47Å; G406-W433 PolarHBondContact O-N 3.38Å; L408-W433 HydrophobicContact CD1-CB 4.45Å; L408-W433 HydrophobicContact CD1-CG 4.29Å; L408-W433 HydrophobicContact CD2-CB 3.91Å; L408-W433 HydrophobicContact CD2-CD2 3.39Å; L408-W433 HydrophobicContact CD2-CE3 3.29Å; L408-W433 HydrophobicContact CD2-CG 3.67Å; L408-W433 HydrophobicContact CD2-CZ3 4.04Å; L408-W433 HydrophobicContact CG-CB 3.86Å; L408-W433 HydrophobicContact CG-CD2 4.24Å; L408-W433 HydrophobicContact CG-CE3 4.44Å; L408-W433 HydrophobicContact CG-CG 3.99Å; Q431-W433 PolarHBondContact O-N 3.24Å; W433-T435 PolarHBondContact O-N 2.75Å; W433-R439 HydrophobicContact CD2-CB 4.39Å; W433-R439 HydrophobicContact CD2-CG 4.08Å; W433-R439 HydrophobicContact CE3-CB 4.37Å; W433-R439 HydrophobicContact CE3-CG 4.36Å; W433-R439 HydrophobicContact CG-CG 4.38Å; W433-R439 HydrophobicContact CH2-CB 3.98Å; W433-R439 HydrophobicContact CZ2-CB 4.06Å; W433-R439 HydrophobicContact CZ2-CG 4.48Å; W433-R439 HydrophobicContact CZ3-CB 4.19Å; W433-I440 WeakPolarHBondContact CZ2-O 3.4Å; W433-A441 HydrophobicContact CH2-CB 3.57Å; W433-A441 HydrophobicContact CZ2-CB 4.37Å; W433-A441 HydrophobicContact CZ3-CB 4.31Å
434	K	91.4	Very high	97	Very high	165 Å²	165	59.5 Å²	59.5	72%	0.717	29%	0.291	S	S	*	.			trans	-73.7	111.5	179.7	-62.9	-176.9	-179.8	-178.7	0	111	E432	E432-K434 VanDerWaalsContact C-N 3.34Å; E432-K434 HydrophobicContact CB-CG 4.4Å; E432-K434 HydrophobicContact CG-CG 4.05Å; E432-K434 PolarHBondContact O-N 2.9Å; E432-K434 WeakPolarHBondContact OE2-CE 3.1Å; E432-K434 IonicContact OE2-NZ 3.43Å; E432-K434 PolarHBondContact OE2-NZ 2.89Å
435	T	90.1	Very high	97	Very high	46 Å²	46	56.4 Å²	56.4	28%	0.282	27%	0.274	S	S	.	.			trans	-146.2	141.7	171.3	176.8	0	0	0	0	109.8	W433 K437 R439	W433-T435 PolarHBondContact O-N 2.75Å; T435-K437 VanDerWaalsContact C-N 3.3Å; T435-K437 VanDerWaalsContact CG2-O 3.28Å; T435-K437 WeakPolarHBondContact CG2-O 3.35Å; T435-K437 PolarHBondContact OG1-N 3.03Å; T435-K437 PolarHBondContact OG1-O 3.07Å; T435-R439 HydrophobicContact CG2-CB 4.4Å; T435-R439 HydrophobicContact CG2-CG 3.35Å
436	E	86.5	Confident	97	Very high	207 Å²	207	57.6 Å²	57.6	97%	0.967	28%	0.28	S	S	*	.	S	Bend	trans	-82.4	-13.7	174.3	-61.8	-177.2	170.5	0	0	112.2
437	K	93.3	Very high	96.8	Very high	136 Å²	136	58 Å²	58	59%	0.591	28%	0.283	S	S	*	.	S	Bend	trans	-103.7	176	179.1	-66.9	-176.5	177.2	-179.2	0	111	D342 T435 R439	D342-K437 IonicContact OD1-NZ 3.65Å; T435-K437 VanDerWaalsContact C-N 3.3Å; T435-K437 VanDerWaalsContact CG2-O 3.28Å; T435-K437 WeakPolarHBondContact CG2-O 3.35Å; T435-K437 PolarHBondContact OG1-N 3.03Å; T435-K437 PolarHBondContact OG1-O 3.07Å; K437-R439 PolarHBondContact O-N 3.17Å
438	R	96.8	Very high	96.6	Very high	87 Å²	87	58.8 Å²	58.8	33%	0.328	28%	0.281	S	S	.	.			trans	-48.3	133.3	167.5	-164.2	176.6	-168	-168.6	-3.1	109.4	E302 I440 A458 S459	E302-R438 IonicContact OE2-CZ 3.5Å; E302-R438 IonicContact OE2-NH1 3.29Å; E302-R438 PolarHBondContact OE2-NH1 3.32Å; E302-R438 IonicContact OE2-NH2 2.78Å; E302-R438 PolarHBondContact OE2-NH2 2.95Å; R438-I440 HydrophobicContact CB-CD1 4.48Å; R438-I440 HydrophobicContact CB-CG1 4.26Å; R438-I440 HydrophobicContact CG-CG1 4.25Å; R438-I440 PolarHBondContact O-N 2.91Å; R438-A458 HydrophobicContact CG-CB 4.23Å; R438-S459 VanDerWaalsContact CZ-O 3.24Å; R438-S459 PolarHBondContact NE-O 3.2Å; R438-S459 PolarHBondContact NH2-O 3.26Å
439	R	98.5	Very high	96.5	Very high	67 Å²	67	57.9 Å²	57.9	25%	0.253	29%	0.29	S	S	.	.			trans	-73.6	119.2	173.3	-73.8	178.4	-63.2	-81.9	2	107.7	C403 Y404 W433 T435 K437 A458 S459	C403-R439 VanDerWaalsContact O-CZ 3.29Å; C403-R439 PolarHBondContact O-NE 3.21Å; C403-R439 PolarHBondContact O-NH2 3.21Å; Y404-R439 PolarHBondContact O-NH2 3.25Å; W433-R439 HydrophobicContact CD2-CB 4.39Å; W433-R439 HydrophobicContact CD2-CG 4.08Å; W433-R439 HydrophobicContact CE3-CB 4.37Å; W433-R439 HydrophobicContact CE3-CG 4.36Å; W433-R439 HydrophobicContact CG-CG 4.38Å; W433-R439 HydrophobicContact CH2-CB 3.98Å; W433-R439 HydrophobicContact CZ2-CB 4.06Å; W433-R439 HydrophobicContact CZ2-CG 4.48Å; W433-R439 HydrophobicContact CZ3-CB 4.19Å; T435-R439 HydrophobicContact CG2-CB 4.4Å; T435-R439 HydrophobicContact CG2-CG 3.35Å; K437-R439 PolarHBondContact O-N 3.17Å; R439-A458 CarbonylContact O-C 3.54Å; R439-A458 WeakPolarHBondContact O-CA 3.34Å; R439-S459 PolarHBondContact N-OG 3.14Å; R439-S459 PolarHBondContact O-N 3.41Å
440	I	98.8	Very high	96.4	Very high	10 Å²	10	53.7 Å²	53.7	5%	0.051	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	128.9	179.8	-48.6	-175	0	0	0	109.1	L304 I338 D342 I343 T344 W433 R438 F457 A458	L304-I440 HydrophobicContact CD1-CG2 4.42Å; I338-I440 HydrophobicContact CD1-CD1 4.3Å; I338-I440 HydrophobicContact CD1-CG2 3.68Å; I338-I440 HydrophobicContact CG2-CD1 4.39Å; D342-I440 HydrophobicContact CB-CD1 4.05Å; I343-I440 HydrophobicContact CG1-CG2 4.04Å; T344-I440 PolarHBondContact N-O 3.11Å; W433-I440 WeakPolarHBondContact CZ2-O 3.4Å; R438-I440 HydrophobicContact CB-CD1 4.48Å; R438-I440 HydrophobicContact CB-CG1 4.26Å; R438-I440 HydrophobicContact CG-CG1 4.25Å; R438-I440 PolarHBondContact O-N 2.91Å; I440-F457 WeakPolarHBondContact CA-O 3.21Å; I440-F457 WeakPolarHBondContact CG2-O 3.46Å; I440-A458 HydrophobicContact CB-CB 4.5Å; I440-A458 HydrophobicContact CG1-CB 3.92Å; I440-A458 HydrophobicContact CG2-CB 4.41Å
441	A	98.8	Very high	96.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	152.3	-179.2	0	0	0	0	0	113.3	Y345 T399 W433 C456 F457	Y345-A441 HydrophobicContact CD1-CB 3.69Å; Y345-A441 HydrophobicContact CG-CB 4.29Å; Y345-A441 WeakPolarHBondContact O-CA 3.41Å; Y345-A441 WeakPolarHBondContact O-CB 3.43Å; T399-A441 HydrophobicContact CG2-CB 3.48Å; T399-A441 VanDerWaalsContact CG2-CB 3.48Å; W433-A441 HydrophobicContact CH2-CB 3.57Å; W433-A441 HydrophobicContact CZ2-CB 4.37Å; W433-A441 HydrophobicContact CZ3-CB 4.31Å; A441-C456 WeakPolarHBondContact O-CA 3.19Å; A441-F457 PolarHBondContact N-O 2.95Å; A441-F457 PolarHBondContact O-N 3.49Å
442	L	98.9	Very high	96.4	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	147	160.1	-62.7	179.3	0	0	0	110.3	M329 A332 I333 I343 Y345 V346 N347 F368 L455 C456	M329-L442 HydrophobicContact CB-CD1 4.04Å; M329-L442 HydrophobicContact CG-CD1 4.03Å; M329-L442 HydrophobicContact SD-CD1 4.18Å; A332-L442 HydrophobicContact CB-CD2 4.3Å; I333-L442 HydrophobicContact CD1-CD1 4.35Å; I333-L442 HydrophobicContact CG1-CD1 4.4Å; I343-L442 HydrophobicContact CD1-CD1 3.85Å; I343-L442 HydrophobicContact CD1-CD2 3.97Å; I343-L442 HydrophobicContact CD1-CG 3.71Å; I343-L442 HydrophobicContact CG1-CG 4.46Å; I343-L442 HydrophobicContact CG2-CG 4.31Å; Y345-L442 PolarHBondContact O-N 3.43Å; V346-L442 CarbonylContact C-O 3.43Å; V346-L442 WeakPolarHBondContact CA-O 3.38Å; V346-L442 HydrophobicContact CG1-CB 4.43Å; V346-L442 HydrophobicContact CG2-CB 4.39Å; N347-L442 PolarHBondContact N-O 3.22Å; F368-L442 HydrophobicContact CZ-CD1 4.02Å; L442-L455 CarbonylContact C-O 3.59Å; L442-L455 VanDerWaalsContact CA-O 3.31Å; L442-L455 WeakPolarHBondContact CA-O 3.37Å; L442-C456 HydrophobicContact CD2-CB 3.78Å
443	T	98.9	Very high	96.4	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	131.9	162.5	-175.1	0	0	0	0	109.1	N347 A396 T399 S454 L455 F457	N347-T443 WeakPolarHBondContact O-CA 3.36Å; A396-T443 HydrophobicContact CB-CG2 4.3Å; T399-T443 WeakPolarHBondContact OG1-CB 3.48Å; T443-S454 WeakPolarHBondContact O-CA 3.43Å; T443-L455 HydrophobicContact CG2-CB 3.73Å; T443-L455 HydrophobicContact CG2-CD1 4.22Å; T443-L455 HydrophobicContact CG2-CG 4.46Å; T443-L455 PolarHBondContact N-O 3.3Å; T443-L455 PolarHBondContact O-N 3.49Å; T443-F457 HydrophobicContact CG2-CD2 4.15Å; T443-F457 HydrophobicContact CG2-CE2 3.75Å
444	N	98.9	Very high	96.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	142.2	-170	-71.7	-20.8	0	0	0	112.4	M329 N347 H349 E360 F446 S454	M329-N444 WeakPolarHBondContact CG-OD1 3.34Å; M329-N444 PolarHBondContact SD-ND2 2.92Å; N347-N444 PolarHBondContact O-N 2.82Å; H349-N444 HydrophobicContact CB-CB 4.23Å; H349-N444 WeakPolarHBondContact CB-O 3.36Å; E360-N444 VanDerWaalsContact OE1-CB 3.31Å; E360-N444 WeakPolarHBondContact OE1-CB 3.29Å; E360-N444 PolarHBondContact OE1-ND2 3.02Å; N444-F446 HydrophobicContact CB-CE1 4.05Å; N444-F446 HydrophobicContact CB-CE2 4.06Å; N444-F446 HydrophobicContact CB-CZ 3.57Å; N444-S454 WeakPolarHBondContact OD1-CB 3.19Å; N444-S454 PolarHBondContact OD1-OG 3.43Å
445	S	98.8	Very high	96.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	124.2	167.8	-61.5	0	0	0	0	111.3	T209 G392 A453	T209-S445 PolarHBondContact OG1-O 2.84Å; G392-S445 VanDerWaalsContact CA-OG 3.29Å; G392-S445 WeakPolarHBondContact CA-OG 3.36Å; S445-A453 PolarHBondContact N-O 2.76Å; S445-A453 PolarHBondContact O-N 3.34Å
446	F	98.4	Very high	97.2	Very high	32 Å²	32	34.1 Å²	34.1	14%	0.14	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	107.1	-178.4	-48.6	-41.4	0	0	0	109.8	A325 C328 H349 E360 N444 N452	A325-F446 HydrophobicContact CB-CD1 4.33Å; A325-F446 HydrophobicContact CB-CD2 4.17Å; A325-F446 HydrophobicContact CB-CE1 3.84Å; A325-F446 HydrophobicContact CB-CE2 3.59Å; A325-F446 HydrophobicContact CB-CZ 3.41Å; A325-F446 VanDerWaalsContact CB-CZ 3.41Å; C328-F446 VanDerWaalsContact SG-CE1 3.5Å; H349-F446 HydrophobicContact CB-CD2 3.67Å; H349-F446 HydrophobicContact CB-CE2 4.04Å; H349-F446 HydrophobicContact CB-CG 4.21Å; H349-F446 PolarHBondContact CD2-O 2.78Å; H349-F446 VanDerWaalsContact CG-N 3.34Å; H349-F446 PolarHBondContact NE2-O 2.97Å; E360-F446 HydrophobicContact CB-CD2 4.47Å; E360-F446 HydrophobicContact CB-CE2 4Å; E360-F446 HydrophobicContact CG-CE2 3.75Å; E360-F446 WeakPolarHBondContact OE1-CE2 3.26Å; N444-F446 HydrophobicContact CB-CE1 4.05Å; N444-F446 HydrophobicContact CB-CE2 4.06Å; N444-F446 HydrophobicContact CB-CZ 3.57Å; F446-N452 HydrophobicContact CD1-CB 3.76Å; F446-N452 WeakPolarHBondContact CD1-OD1 3.36Å; F446-N452 HydrophobicContact CE1-CB 4.27Å
447	G	95.4	Very high	97.8	Very high	7 Å²	7	24.3 Å²	24.3	7%	0.072	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	159.2	-169.5	0	0	0	0	0	113.6	T209 G450 T451	T209-G447 WeakPolarHBondContact OG1-CA 3.34Å; T209-G447 PolarHBondContact OG1-N 2.83Å; G447-G450 PolarHBondContact O-N 3.44Å; G447-G450 VanDerWaalsContact O-N 3.08Å; G447-T451 PolarHBondContact N-O 3.46Å; G447-T451 PolarHBondContact O-N 3.03Å
448	F	95.2	Very high	98.1	Very high	71 Å²	71	17.8 Å²	17.8	31%	0.311	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	147.9	164.9	-74.9	7.2	0	0	0	110.9	A207 F247 A252 T316 G450	A207-F448 HydrophobicContact CB-CB 4.2Å; F247-F448 HydrophobicContact CD1-CE2 4.18Å; F247-F448 HydrophobicContact CE1-CD2 4.38Å; F247-F448 AromaticContact CE1-CE2 3.76Å; F247-F448 HydrophobicContact CE1-CE2 3.76Å; F247-F448 HydrophobicContact CE1-CZ 4.38Å; A252-F448 HydrophobicContact CB-CZ 4.13Å; T316-F448 HydrophobicContact CG2-CD2 3.85Å; T316-F448 HydrophobicContact CG2-CE2 3.9Å; T316-F448 HydrophobicContact CG2-CG 4.18Å; T316-F448 HydrophobicContact CG2-CZ 4.28Å; F448-G450 VanDerWaalsContact C-N 3.27Å
449	G	95.3	Very high	98.2	Very high	56 Å²	56	14.2 Å²	14.2	58%	0.577	9%	0.085	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.2	-1	-165.4	0	0	0	0	0	113.5	I315	I315-G449 PolarHBondContact O-N 3.13Å
450	G	96.3	Very high	97.9	Very high	7 Å²	7	16 Å²	16	7%	0.072	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	71	34.3	179.8	0	0	0	0	0	112.4	G310 D311 G447 F448	G310-G450 CarbonylContact C-O 3.57Å; G310-G450 VanDerWaalsContact CA-O 3.24Å; G310-G450 WeakPolarHBondContact CA-O 3.39Å; D311-G450 PolarHBondContact N-O 3.15Å; G447-G450 PolarHBondContact O-N 3.44Å; G447-G450 VanDerWaalsContact O-N 3.08Å; F448-G450 VanDerWaalsContact C-N 3.27Å
451	T	98.4	Very high	97.8	Very high	33 Å²	33	16.3 Å²	16.3	20%	0.202	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	123.1	-178.5	-176	0	0	0	0	110.2	T206 T209 H213 G447	T206-T451 WeakPolarHBondContact O-CG2 3.19Å; T209-T451 PolarHBondContact OG1-O 3.34Å; H213-T451 PolarHBondContact CE1-OG1 3.01Å; G447-T451 PolarHBondContact N-O 3.46Å; G447-T451 PolarHBondContact O-N 3.03Å
452	N	98.8	Very high	97.8	Very high	3 Å²	3	17.1 Å²	17.1	2%	0.016	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	137	-169.1	-52.6	-52.9	0	0	0	111.6	L308 S309 D311 G324 C328 F446	L308-N452 CarbonylContact C-O 3.55Å; L308-N452 VanDerWaalsContact CA-O 3.3Å; L308-N452 WeakPolarHBondContact CA-O 3.44Å; S309-N452 PolarHBondContact N-O 3.45Å; S309-N452 PolarHBondContact O-N 3.3Å; S309-N452 WeakPolarHBondContact OG-CB 3.32Å; S309-N452 PolarHBondContact OG-ND2 3.49Å; D311-N452 PolarHBondContact OD1-ND2 2.75Å; G324-N452 WeakPolarHBondContact CA-ND2 3.44Å; C328-N452 HydrophobicContact CB-CB 4.02Å; F446-N452 HydrophobicContact CD1-CB 3.76Å; F446-N452 WeakPolarHBondContact CD1-OD1 3.36Å; F446-N452 HydrophobicContact CE1-CB 4.27Å
453	A	98.9	Very high	97.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	145.6	171.5	0	0	0	0	0	112.1	T209 A212 Y306 G307 S445	T209-A453 HydrophobicContact CG2-CB 3.31Å; A212-A453 HydrophobicContact CB-CB 4.02Å; Y306-A453 HydrophobicContact CE2-CB 4.24Å; G307-A453 CarbonylContact O-C 3.59Å; G307-A453 WeakPolarHBondContact O-CA 3.28Å; S445-A453 PolarHBondContact N-O 2.76Å; S445-A453 PolarHBondContact O-N 3.34Å
454	S	98.9	Very high	97.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	134.4	167	-61.6	0	0	0	0	109.5	G307 C328 M329 A332 T443 N444	G307-S454 PolarHBondContact N-O 3.48Å; G307-S454 PolarHBondContact O-N 2.93Å; C328-S454 PolarHBondContact SG-OG 2.93Å; M329-S454 VanDerWaalsContact CG-OG 3.23Å; M329-S454 WeakPolarHBondContact CG-OG 3.22Å; M329-S454 PolarHBondContact N-OG 2.82Å; A332-S454 WeakPolarHBondContact CB-O 3.43Å; T443-S454 WeakPolarHBondContact O-CA 3.43Å; N444-S454 WeakPolarHBondContact OD1-CB 3.19Å; N444-S454 PolarHBondContact OD1-OG 3.43Å
455	L	98.9	Very high	97.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	142.4	172.4	-62.5	165.7	0	0	0	109.4	A212 V215 Y306 A396 L442 T443 F457	A212-L455 HydrophobicContact CB-CD1 4.24Å; V215-L455 HydrophobicContact CB-CD1 3.86Å; V215-L455 HydrophobicContact CG1-CD1 3.68Å; Y306-L455 HydrophobicContact CD2-CD2 3.62Å; Y306-L455 HydrophobicContact CE2-CD2 4.31Å; Y306-L455 HydrophobicContact CG-CD2 4.05Å; A396-L455 HydrophobicContact CB-CD1 4.23Å; L442-L455 CarbonylContact C-O 3.59Å; L442-L455 VanDerWaalsContact CA-O 3.31Å; L442-L455 WeakPolarHBondContact CA-O 3.37Å; T443-L455 HydrophobicContact CG2-CB 3.73Å; T443-L455 HydrophobicContact CG2-CD1 4.22Å; T443-L455 HydrophobicContact CG2-CG 4.46Å; T443-L455 PolarHBondContact N-O 3.3Å; T443-L455 PolarHBondContact O-N 3.49Å; L455-F457 HydrophobicContact CB-CD2 4.2Å; L455-F457 HydrophobicContact CB-CE2 3.55Å; L455-F457 HydrophobicContact CB-CZ 4.33Å; L455-F457 HydrophobicContact CD1-CE2 4.04Å; L455-F457 HydrophobicContact CD1-CZ 4.23Å; L455-F457 HydrophobicContact CG-CE2 4.42Å
456	C	98.9	Very high	97.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	120.7	177.3	-173.4	0	0	0	0	110	L304 G305 A441 L442	L304-C456 HydrophobicContact CB-CB 4.48Å; L304-C456 PolarHBondContact N-O 2.93Å; G305-C456 PolarHBondContact N-O 2.96Å; G305-C456 PolarHBondContact O-N 3.45Å; A441-C456 WeakPolarHBondContact O-CA 3.19Å; L442-C456 HydrophobicContact CD2-CB 3.78Å
457	F	98.9	Very high	97.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	150	178.5	-68.5	-92.8	0	0	0	110.7	V45 V215 A301 E302 V303 A396 T399 T400 I440 A441 T443 L455	V45-F457 HydrophobicContact CG2-CE1 4.01Å; V215-F457 HydrophobicContact CG1-CZ 4.21Å; A301-F457 HydrophobicContact CB-CD1 4.44Å; E302-F457 CarbonylContact O-C 3.52Å; E302-F457 WeakPolarHBondContact O-CA 3.28Å; V303-F457 HydrophobicContact CB-CE1 4.49Å; V303-F457 HydrophobicContact CG2-CD1 4.02Å; V303-F457 HydrophobicContact CG2-CE1 3.58Å; V303-F457 HydrophobicContact CG2-CZ 4.36Å; A396-F457 HydrophobicContact CB-CE2 4Å; A396-F457 HydrophobicContact CB-CZ 3.88Å; T399-F457 HydrophobicContact CG2-CB 4.35Å; T399-F457 HydrophobicContact CG2-CD2 4.1Å; T400-F457 WeakPolarHBondContact OG1-CD1 3.37Å; T400-F457 WeakPolarHBondContact OG1-CE1 3.43Å; I440-F457 WeakPolarHBondContact CA-O 3.21Å; I440-F457 WeakPolarHBondContact CG2-O 3.46Å; A441-F457 PolarHBondContact N-O 2.95Å; A441-F457 PolarHBondContact O-N 3.49Å; T443-F457 HydrophobicContact CG2-CD2 4.15Å; T443-F457 HydrophobicContact CG2-CE2 3.75Å; L455-F457 HydrophobicContact CB-CD2 4.2Å; L455-F457 HydrophobicContact CB-CE2 3.55Å; L455-F457 HydrophobicContact CB-CZ 4.33Å; L455-F457 HydrophobicContact CD1-CE2 4.04Å; L455-F457 HydrophobicContact CD1-CZ 4.23Å; L455-F457 HydrophobicContact CG-CE2 4.42Å
458	A	98.8	Very high	97.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	146.4	172.1	0	0	0	0	0	113	A301 E302 L304 R438 R439 I440	A301-A458 CarbonylContact C-O 3.56Å; A301-A458 VanDerWaalsContact CA-O 3.3Å; A301-A458 WeakPolarHBondContact CA-O 3.46Å; A301-A458 WeakPolarHBondContact CB-O 3.19Å; E302-A458 PolarHBondContact N-O 2.96Å; E302-A458 PolarHBondContact O-N 3.29Å; L304-A458 HydrophobicContact CD1-CB 3.47Å; L304-A458 VanDerWaalsContact CD1-CB 3.47Å; L304-A458 HydrophobicContact CD2-CB 4.44Å; L304-A458 HydrophobicContact CG-CB 3.93Å; R438-A458 HydrophobicContact CG-CB 4.23Å; R439-A458 CarbonylContact O-C 3.54Å; R439-A458 WeakPolarHBondContact O-CA 3.34Å; I440-A458 HydrophobicContact CB-CB 4.5Å; I440-A458 HydrophobicContact CG1-CB 3.92Å; I440-A458 HydrophobicContact CG2-CB 4.41Å
459	S	98.3	Very high	97.8	Very high	11 Å²	11	17.8 Å²	17.8	8%	0.077	13%	0.131	C	C	.	.			trans	-57.2	142.2	170.4	61.6	0	0	0	0	110.4	C403 R438 R439	C403-S459 WeakPolarHBondContact O-CB 3.45Å; R438-S459 VanDerWaalsContact CZ-O 3.24Å; R438-S459 PolarHBondContact NE-O 3.2Å; R438-S459 PolarHBondContact NH2-O 3.26Å; R439-S459 PolarHBondContact N-OG 3.14Å; R439-S459 PolarHBondContact O-N 3.41Å
460	V	92.5	Very high	98	Very high	104 Å²	104	14.4 Å²	14.4	63%	0.63	9%	0.091	S	C	*	.			trans	-70	0	177.2	-177.2	0	0	0	0	111.8	I299	I299-V460 HydrophobicContact CB-CG2 4.11Å; I299-V460 HydrophobicContact CG2-CG2 3.47Å; I299-V460 VanDerWaalsContact CG2-CG2 3.47Å

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