A0A087Y772_POEFO Loading...

Prostaglandin G/H synthase 2

AlphaFold DB , UniProt , Accession A0A087Y772, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 615 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47	Very low	45.5	Very low	224 Å²	224	156 Å²	156	100%	1.103	72%	0.724	S	S	*	*				0	-11.5	0	-97.3	161.1	142.7	0	0	115.7
2	N	45.4	Very low	46	Very low	153 Å²	153	149.6 Å²	149.6	82%	0.818	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.1	15.6	-176	-80.5	-4.8	0	0	0	117.3
3	R	41.8	Very low	46.4	Very low	233 Å²	233	149 Å²	149	88%	0.879	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.8	-8.2	174.7	-98.8	-175.5	-177.1	-178.2	1.5	115.1
4	V	45.1	Very low	46.8	Very low	108 Å²	108	142.9 Å²	142.9	66%	0.655	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	-30.9	179.9	-177.9	0	0	0	0	111.5
5	H	40.8	Very low	47.1	Very low	129 Å²	129	138.8 Å²	138.8	60%	0.597	67%	0.668	S	S	*	*	H	α-helix	trans	-71.6	-34.3	176.5	-86.9	-15.7	0	0	0	114.6	R7 M8	H5-R7 VanDerWaalsContact C-N 3.28Å; H5-R7 PolarHBondContact O-N 3.41Å; H5-M8 PolarHBondContact O-N 3.45Å
6	R	43.6	Very low	47.1	Very low	210 Å²	210	136.8 Å²	136.8	79%	0.792	66%	0.661	S	S	*	*	H	α-helix	trans	-71.3	-17.1	-179.9	-112.8	-177.2	-172.6	-173.2	2.6	115.2
7	R	43.8	Very low	47.1	Very low	200 Å²	200	134.9 Å²	134.9	76%	0.755	65%	0.654	S	S	*	*	H	α-helix	trans	-90.6	-23.2	176.7	-107.9	-176.9	-179.7	-174.9	-0.4	112.7	H5 I11	H5-R7 VanDerWaalsContact C-N 3.28Å; H5-R7 PolarHBondContact O-N 3.41Å; R7-I11 WeakPolarHBondContact O-CD1 3.47Å; R7-I11 WeakPolarHBondContact O-CG1 3.36Å
8	M	41.7	Very low	47.1	Very low	114 Å²	114	132.9 Å²	132.9	56%	0.562	65%	0.647	S	S	*	*	H	α-helix	trans	-77.5	-33.6	179.3	-130.2	154.4	73	0	0	111.3	H5 T12	H5-M8 PolarHBondContact O-N 3.45Å; M8-T12 PolarHBondContact O-N 3.16Å; M8-T12 PolarHBondContact O-OG1 2.79Å
9	D	49.4	Very low	46.8	Very low	108 Å²	108	128.5 Å²	128.5	58%	0.578	64%	0.635	S	S	*	*	H	α-helix	trans	-73.9	-31.3	178.2	-67.7	-30.7	0	0	0	114	T12 F13	D9-T12 WeakPolarHBondContact CA-OG1 3.46Å; D9-T12 PolarHBondContact O-OG1 3.08Å; D9-F13 WeakPolarHBondContact O-CB 3.38Å; D9-F13 PolarHBondContact O-N 2.94Å; D9-F13 VanDerWaalsContact O-N 3.09Å
10	L	48.9	Very low	46.6	Very low	125 Å²	125	126.6 Å²	126.6	65%	0.654	63%	0.626	S	S	*	*	H	α-helix	trans	-73.5	-35.3	178.1	-124.4	91.4	0	0	0	112	S14	L10-S14 WeakPolarHBondContact O-CB 3.42Å; L10-S14 PolarHBondContact O-N 2.98Å; L10-S14 PolarHBondContact O-OG 3.49Å
11	I	52.8	Low	46.2	Very low	112 Å²	112	123.7 Å²	123.7	57%	0.574	62%	0.618	S	S	*	*	H	α-helix	trans	-73.1	-42.1	179.9	-64.4	171.9	0	0	0	109.7	R7 S14 T15	R7-I11 WeakPolarHBondContact O-CD1 3.47Å; R7-I11 WeakPolarHBondContact O-CG1 3.36Å; I11-S14 PolarHBondContact O-N 3.43Å; I11-T15 WeakPolarHBondContact O-CB 3.47Å; I11-T15 WeakPolarHBondContact O-CG2 3.44Å; I11-T15 PolarHBondContact O-N 3.12Å; I11-T15 PolarHBondContact O-OG1 2.78Å
12	T	51.7	Low	45.7	Very low	79 Å²	79	120.8 Å²	120.8	49%	0.485	60%	0.6	S	S	.	*	H	α-helix	trans	-65.3	-38.5	174.4	37.1	0	0	0	0	112.5	M8 D9 T15 L16	M8-T12 PolarHBondContact O-N 3.16Å; M8-T12 PolarHBondContact O-OG1 2.79Å; D9-T12 WeakPolarHBondContact CA-OG1 3.46Å; D9-T12 PolarHBondContact O-OG1 3.08Å; T12-T15 VanDerWaalsContact CA-OG1 3.31Å; T12-T15 WeakPolarHBondContact CA-OG1 3.48Å; T12-T15 PolarHBondContact O-OG1 3.19Å; T12-L16 VanDerWaalsContact O-CB 3.27Å; T12-L16 WeakPolarHBondContact O-CB 3.33Å; T12-L16 PolarHBondContact O-N 3.48Å
13	F	51.6	Low	45.1	Very low	142 Å²	142	118.1 Å²	118.1	62%	0.623	59%	0.593	S	S	*	*	H	α-helix	trans	-68.6	-39.8	175.4	-128.4	-97.1	0	0	0	112.7	D9 L16 L17	D9-F13 WeakPolarHBondContact O-CB 3.38Å; D9-F13 PolarHBondContact O-N 2.94Å; D9-F13 VanDerWaalsContact O-N 3.09Å; F13-L16 PolarHBondContact O-N 3.36Å; F13-L17 HydrophobicContact CD1-CD1 3.94Å; F13-L17 HydrophobicContact CE1-CD1 4.47Å; F13-L17 WeakPolarHBondContact O-CB 3.32Å; F13-L17 PolarHBondContact O-N 3.2Å
14	S	51.9	Low	44.8	Very low	64 Å²	64	113.3 Å²	113.3	45%	0.448	58%	0.584	S	S	.	*	H	α-helix	trans	-68.9	-37.1	174.7	-75.2	0	0	0	0	112.5	L10 I11 L18	L10-S14 WeakPolarHBondContact O-CB 3.42Å; L10-S14 PolarHBondContact O-N 2.98Å; L10-S14 PolarHBondContact O-OG 3.49Å; I11-S14 PolarHBondContact O-N 3.43Å; S14-L18 WeakPolarHBondContact O-CB 3.37Å; S14-L18 WeakPolarHBondContact O-CD1 3.46Å; S14-L18 PolarHBondContact O-N 2.79Å
15	T	51.2	Low	44.7	Very low	81 Å²	81	113.3 Å²	113.3	50%	0.497	59%	0.587	S	S	.	*	H	α-helix	trans	-71.4	-30.5	173.3	49.9	0	0	0	0	112.6	I11 T12 A19	I11-T15 WeakPolarHBondContact O-CB 3.47Å; I11-T15 WeakPolarHBondContact O-CG2 3.44Å; I11-T15 PolarHBondContact O-N 3.12Å; I11-T15 PolarHBondContact O-OG1 2.78Å; T12-T15 VanDerWaalsContact CA-OG1 3.31Å; T12-T15 WeakPolarHBondContact CA-OG1 3.48Å; T12-T15 PolarHBondContact O-OG1 3.19Å; T15-A19 WeakPolarHBondContact O-CB 3.34Å; T15-A19 PolarHBondContact O-N 3.32Å
16	L	46.8	Very low	45	Very low	106 Å²	106	118.2 Å²	118.2	56%	0.555	60%	0.601	S	S	*	*	H	α-helix	trans	-73.4	-38.2	174.3	-154.7	78.5	0	0	0	111.1	T12 F13 A19 I20	T12-L16 VanDerWaalsContact O-CB 3.27Å; T12-L16 WeakPolarHBondContact O-CB 3.33Å; T12-L16 PolarHBondContact O-N 3.48Å; F13-L16 PolarHBondContact O-N 3.36Å; L16-A19 PolarHBondContact O-N 3.14Å; L16-I20 HydrophobicContact CD2-CD1 4.41Å; L16-I20 HydrophobicContact CG-CD1 4.08Å; L16-I20 VanDerWaalsContact O-CB 3.28Å; L16-I20 WeakPolarHBondContact O-CB 3.44Å; L16-I20 WeakPolarHBondContact O-CD1 3.48Å; L16-I20 WeakPolarHBondContact O-CG1 3.4Å; L16-I20 PolarHBondContact O-N 3.37Å
17	L	47.9	Very low	45.4	Very low	105 Å²	105	109.5 Å²	109.5	55%	0.55	58%	0.576	S	S	.	*	H	α-helix	trans	-69	-35	171.5	-87.7	154.6	0	0	0	112.7	F13 S21	F13-L17 HydrophobicContact CD1-CD1 3.94Å; F13-L17 HydrophobicContact CE1-CD1 4.47Å; F13-L17 WeakPolarHBondContact O-CB 3.32Å; F13-L17 PolarHBondContact O-N 3.2Å; L17-S21 VanDerWaalsContact O-CB 3.31Å; L17-S21 WeakPolarHBondContact O-CB 3.34Å; L17-S21 PolarHBondContact O-N 3.03Å; L17-S21 PolarHBondContact O-OG 2.76Å
18	L	45.9	Very low	46.6	Very low	99 Å²	99	102.3 Å²	102.3	52%	0.518	56%	0.564	S	S	.	*	H	α-helix	trans	-68.8	-39.2	170.1	-99.5	127.2	0	0	0	111.9	S14 S21 F22	S14-L18 WeakPolarHBondContact O-CB 3.37Å; S14-L18 WeakPolarHBondContact O-CD1 3.46Å; S14-L18 PolarHBondContact O-N 2.79Å; L18-S21 VanDerWaalsContact CA-OG 3.25Å; L18-S21 WeakPolarHBondContact CA-OG 3.29Å; L18-S21 PolarHBondContact O-N 3.43Å; L18-S21 PolarHBondContact O-OG 3.09Å; L18-S21 VanDerWaalsContact O-OG 3.11Å; L18-F22 HydrophobicContact CD2-CD2 4.42Å; L18-F22 HydrophobicContact CD2-CE2 4.27Å; L18-F22 WeakPolarHBondContact O-CB 3.46Å; L18-F22 WeakPolarHBondContact O-CD2 3.38Å; L18-F22 PolarHBondContact O-N 3.28Å
19	A	42.3	Very low	48.7	Very low	50 Å²	50	98.7 Å²	98.7	41%	0.413	55%	0.547	S	S	.	.	H	α-helix	trans	-70.7	-33.5	175.3	0	0	0	0	0	112.5	T15 L16 S23	T15-A19 WeakPolarHBondContact O-CB 3.34Å; T15-A19 PolarHBondContact O-N 3.32Å; L16-A19 PolarHBondContact O-N 3.14Å; A19-S23 VanDerWaalsContact O-CB 3.25Å; A19-S23 WeakPolarHBondContact O-CB 3.48Å; A19-S23 PolarHBondContact O-N 3.07Å; A19-S23 PolarHBondContact O-OG 3.3Å
20	I	41.8	Very low	50.8	Low	89 Å²	89	94.4 Å²	94.4	46%	0.456	53%	0.525	S	S	.	.	H	α-helix	trans	-75.3	-34.3	174.4	-67.5	163.1	0	0	0	110.8	L16 S23 L24	L16-I20 HydrophobicContact CD2-CD1 4.41Å; L16-I20 HydrophobicContact CG-CD1 4.08Å; L16-I20 VanDerWaalsContact O-CB 3.28Å; L16-I20 WeakPolarHBondContact O-CB 3.44Å; L16-I20 WeakPolarHBondContact O-CD1 3.48Å; L16-I20 WeakPolarHBondContact O-CG1 3.4Å; L16-I20 PolarHBondContact O-N 3.37Å; I20-S23 PolarHBondContact O-N 3.21Å; I20-L24 HydrophobicContact CG2-CD1 4.11Å; I20-L24 WeakPolarHBondContact O-CB 3.24Å; I20-L24 WeakPolarHBondContact O-CD1 3.32Å; I20-L24 WeakPolarHBondContact O-CG 3.28Å; I20-L24 PolarHBondContact O-N 2.84Å
21	S	39.3	Very low	52.9	Low	67 Å²	67	89.3 Å²	89.3	47%	0.469	50%	0.5	S	S	.	.	H	α-helix	trans	-74.5	-31.4	172.3	49.6	0	0	0	0	113.2	L17 L18 L24	L17-S21 VanDerWaalsContact O-CB 3.31Å; L17-S21 WeakPolarHBondContact O-CB 3.34Å; L17-S21 PolarHBondContact O-N 3.03Å; L17-S21 PolarHBondContact O-OG 2.76Å; L18-S21 VanDerWaalsContact CA-OG 3.25Å; L18-S21 WeakPolarHBondContact CA-OG 3.29Å; L18-S21 PolarHBondContact O-N 3.43Å; L18-S21 PolarHBondContact O-OG 3.09Å; L18-S21 VanDerWaalsContact O-OG 3.11Å; S21-L24 PolarHBondContact O-N 3.04Å
22	F	35.9	Very low	54.9	Low	163 Å²	163	84.2 Å²	84.2	72%	0.715	47%	0.474	S	S	*	.	H	α-helix	trans	-71.6	-30	167.2	-96.4	-87.1	0	0	0	112.7	L18 L24	L18-F22 HydrophobicContact CD2-CD2 4.42Å; L18-F22 HydrophobicContact CD2-CE2 4.27Å; L18-F22 WeakPolarHBondContact O-CB 3.46Å; L18-F22 WeakPolarHBondContact O-CD2 3.38Å; L18-F22 PolarHBondContact O-N 3.28Å; F22-L24 PolarHBondContact O-N 3.45Å
23	S	34	Very low	56.9	Low	97 Å²	97	83.5 Å²	83.5	68%	0.678	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-6.9	174.4	-59.4	0	0	0	0	113.7	A19 I20	A19-S23 VanDerWaalsContact O-CB 3.25Å; A19-S23 WeakPolarHBondContact O-CB 3.48Å; A19-S23 PolarHBondContact O-N 3.07Å; A19-S23 PolarHBondContact O-OG 3.3Å; I20-S23 PolarHBondContact O-N 3.21Å
24	L	34.9	Very low	58.9	Low	132 Å²	132	78.8 Å²	78.8	69%	0.691	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-3.8	177.7	-86.2	159.2	0	0	0	113.9	I20 S21 F22 R26	I20-L24 HydrophobicContact CG2-CD1 4.11Å; I20-L24 WeakPolarHBondContact O-CB 3.24Å; I20-L24 WeakPolarHBondContact O-CD1 3.32Å; I20-L24 WeakPolarHBondContact O-CG 3.28Å; I20-L24 PolarHBondContact O-N 2.84Å; S21-L24 PolarHBondContact O-N 3.04Å; F22-L24 PolarHBondContact O-N 3.45Å; L24-R26 PolarHBondContact O-N 3.25Å
25	C	43	Very low	61	Low	107 Å²	107	76.2 Å²	76.2	72%	0.723	43%	0.434	S	S	*	.			trans	-76.1	79.6	155.3	-83.8	0	0	0	0	107.9	G27	C25-G27 PolarHBondContact O-N 3.17Å; C25-G27 VanDerWaalsContact O-N 3.08Å
26	R	46	Very low	63.1	Low	233 Å²	233	73.2 Å²	73.2	88%	0.879	42%	0.416	S	S	*	.			trans	-54.1	118	159.1	-82.9	-177.9	174.5	-179.5	-1.8	106.3	L24 G28	L24-R26 PolarHBondContact O-N 3.25Å; R26-G28 PolarHBondContact O-N 3.33Å
27	G	53.4	Low	65.5	Low	26 Å²	26	70.6 Å²	70.6	27%	0.268	40%	0.401	S	S	.	.			trans	-46.5	114	168.4	0	0	0	0	0	108.1	C25 S47	C25-G27 PolarHBondContact O-N 3.17Å; C25-G27 VanDerWaalsContact O-N 3.08Å; G27-S47 CarbonylContact C-O 3.38Å; G27-S47 WeakPolarHBondContact CA-O 3.24Å
28	G	67.8	Low	67.8	Low	49 Å²	49	69.1 Å²	69.1	51%	0.505	39%	0.393	S	S	.	.			trans	-70.4	154.4	-175.8	0	0	0	0	0	110	R26 P30 S47	R26-G28 PolarHBondContact O-N 3.33Å; G28-P30 VanDerWaalsContact O-CD 3.24Å; G28-P30 WeakPolarHBondContact O-CD 3.17Å; G28-S47 VanDerWaalsContact O-O 3.1Å
29	N	87.4	Confident	70.1	Confident	39 Å²	39	69 Å²	69	21%	0.209	39%	0.386	C	S	.	.			trans	-54.2	114.7	-179.6	-177.2	-23.1	0	0	0	111.1	C31 C32 P152 D154	N29-C31 PolarHBondContact O-N 3.06Å; N29-C31 VanDerWaalsContact O-N 3.12Å; N29-C31 WeakPolarHBondContact OD1-CB 3.39Å; N29-C31 PolarHBondContact OD1-N 3.15Å; N29-C32 WeakPolarHBondContact O-CB 3.24Å; N29-C32 PolarHBondContact O-N 3.39Å; N29-C32 PolarHBondContact O-SG 3.36Å; N29-P152 HydrophobicContact CB-CB 4.32Å; N29-P152 WeakPolarHBondContact ND2-CB 3.26Å; N29-D154 WeakPolarHBondContact CB-OD2 3.27Å; N29-D154 PolarHBondContact ND2-OD1 2.67Å
30	P	91.8	Very high	72.6	Confident	18 Å²	18	67.3 Å²	67.3	12%	0.117	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-65.3	-21.8	-173.1	21.4	-29.9	0	0	0	112.6	G28 C32 S33 A44 N49 Y50	G28-P30 VanDerWaalsContact O-CD 3.24Å; G28-P30 WeakPolarHBondContact O-CD 3.17Å; P30-C32 PolarHBondContact O-N 3.48Å; P30-S33 PolarHBondContact O-OG 3.48Å; P30-A44 HydrophobicContact CG-CB 4.31Å; P30-N49 VanDerWaalsContact CG-O 3.23Å; P30-N49 WeakPolarHBondContact CG-O 3.39Å; P30-Y50 HydrophobicContact CB-CD1 3.78Å; P30-Y50 HydrophobicContact CB-CG 4.31Å
31	C	94.7	Very high	75.2	Confident	18 Å²	18	65 Å²	65	12%	0.122	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-74.4	-7.7	175.2	-61.5	0	0	0	0	113.7	N29 S33 E34 C42	N29-C31 PolarHBondContact O-N 3.06Å; N29-C31 VanDerWaalsContact O-N 3.12Å; N29-C31 WeakPolarHBondContact OD1-CB 3.39Å; N29-C31 PolarHBondContact OD1-N 3.15Å; C31-S33 PolarHBondContact O-N 3.31Å; C31-E34 PolarHBondContact O-N 3.35Å; C31-C42 WeakPolarHBondContact CA-SG 3.49Å; C31-C42 HydrophobicContact CB-CB 3.82Å; C31-C42 WeakPolarHBondContact CB-SG 3.37Å; C31-C42 WeakPolarHBondContact SG-CB 3.38Å; C31-C42 CovalentContact SG-SG 2.04Å; C31-C42 PolarHBondContact SG-SG 2.81Å
32	C	94.5	Very high	77.9	Confident	5 Å²	5	63.6 Å²	63.6	3%	0.034	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-61.2	-26.4	172.9	-74	0	0	0	0	113.6	N29 P30 E34 C155 G160 V161	N29-C32 WeakPolarHBondContact O-CB 3.24Å; N29-C32 PolarHBondContact O-N 3.39Å; N29-C32 PolarHBondContact O-SG 3.36Å; P30-C32 PolarHBondContact O-N 3.48Å; C32-E34 VanDerWaalsContact C-N 3.26Å; C32-C155 VanDerWaalsContact CA-SG 3.52Å; C32-C155 HydrophobicContact CB-CB 3.89Å; C32-C155 WeakPolarHBondContact CB-SG 3.46Å; C32-C155 WeakPolarHBondContact SG-CA 3.33Å; C32-C155 WeakPolarHBondContact SG-CB 3.5Å; C32-C155 CovalentContact SG-SG 2.03Å; C32-C155 PolarHBondContact SG-SG 3.24Å; C32-G160 VanDerWaalsContact O-CA 3.24Å; C32-G160 WeakPolarHBondContact O-CA 3.33Å; C32-V161 HydrophobicContact CB-CG1 3.87Å
33	S	93	Very high	80.7	Confident	64 Å²	64	59.2 Å²	59.2	45%	0.448	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-82.9	-2.5	176.7	64.3	0	0	0	0	113.6	P30 C31	P30-S33 PolarHBondContact O-OG 3.48Å; C31-S33 PolarHBondContact O-N 3.31Å
34	E	93.7	Very high	83.4	Confident	42 Å²	42	56.9 Å²	56.9	20%	0.196	33%	0.326	C	S	.	.			trans	48.1	56.1	-174	-61.1	175.6	-175.7	0	0	112.8	C31 C32 C36 Q37 Q457 A461	C31-E34 PolarHBondContact O-N 3.35Å; C32-E34 VanDerWaalsContact C-N 3.26Å; E34-C36 VanDerWaalsContact C-N 3.3Å; E34-C36 PolarHBondContact O-N 3.36Å; E34-Q37 PolarHBondContact O-NE2 3.03Å; E34-Q457 VanDerWaalsContact CD-OE1 3.23Å; E34-Q457 VanDerWaalsContact OE1-CG 3.23Å; E34-Q457 WeakPolarHBondContact OE1-CG 3.28Å; E34-Q457 PolarHBondContact OE1-OE1 3.23Å; E34-Q457 PolarHBondContact OE2-OE1 3.13Å; E34-A461 WeakPolarHBondContact OE2-CB 3.36Å
35	P	95.1	Very high	86	Confident	10 Å²	10	55.7 Å²	55.7	7%	0.065	32%	0.318	C	S	.	.			trans	-67.6	-31.1	-169.1	27	-34.2	0	0	0	112.6	Q37 Y50 N63	P35-Q37 PolarHBondContact O-N 3.33Å; P35-Q37 PolarHBondContact O-NE2 3.21Å; P35-Y50 HydrophobicContact CB-CD2 4.2Å; P35-Y50 HydrophobicContact CB-CE1 4.25Å; P35-Y50 HydrophobicContact CB-CE2 3.48Å; P35-Y50 VanDerWaalsContact CB-CE2 3.48Å; P35-Y50 VanDerWaalsContact CB-CZ 3.49Å; P35-Y50 HydrophobicContact CG-CD1 4.35Å; P35-Y50 HydrophobicContact CG-CD2 3.58Å; P35-Y50 HydrophobicContact CG-CE1 4.18Å; P35-Y50 HydrophobicContact CG-CE2 3.4Å; P35-Y50 VanDerWaalsContact CG-CE2 3.4Å; P35-Y50 HydrophobicContact CG-CG 4.06Å; P35-N63 WeakPolarHBondContact O-CB 3.19Å
36	C	96.7	Very high	87.9	Confident	18 Å²	18	53.2 Å²	53.2	12%	0.122	31%	0.311	C	S	.	.			trans	-76.4	114.8	-177.1	-48.4	0	0	0	0	112	E34 G40 C42 C52	E34-C36 VanDerWaalsContact C-N 3.3Å; E34-C36 PolarHBondContact O-N 3.36Å; C36-G40 WeakPolarHBondContact CB-O 3.2Å; C36-C42 HydrophobicContact CB-CB 4.48Å; C36-C42 WeakPolarHBondContact SG-CA 3.21Å; C36-C42 WeakPolarHBondContact SG-CB 3.21Å; C36-C52 WeakPolarHBondContact CA-SG 3.48Å; C36-C52 HydrophobicContact CB-CB 3.77Å; C36-C52 WeakPolarHBondContact CB-SG 3.35Å; C36-C52 WeakPolarHBondContact SG-CA 3.2Å; C36-C52 WeakPolarHBondContact SG-CB 3.4Å; C36-C52 CovalentContact SG-SG 2.02Å; C36-C52 PolarHBondContact SG-SG 3Å
37	Q	96.5	Very high	89.4	Confident	51 Å²	51	45.6 Å²	45.6	24%	0.238	29%	0.294	C	S	.	.			trans	-91.1	174.3	179.9	-55.3	-49.7	-57.7	0	0	111.9	E34 P35 R39 G40 N63 T65	E34-Q37 PolarHBondContact O-NE2 3.03Å; P35-Q37 PolarHBondContact O-N 3.33Å; P35-Q37 PolarHBondContact O-NE2 3.21Å; Q37-R39 VanDerWaalsContact C-N 3.26Å; Q37-R39 PolarHBondContact O-N 3.1Å; Q37-R39 VanDerWaalsContact O-N 3.1Å; Q37-G40 PolarHBondContact O-N 3.42Å; Q37-N63 PolarHBondContact N-O 2.95Å; Q37-T65 HydrophobicContact CB-CG2 4.07Å; Q37-T65 HydrophobicContact CG-CG2 3.78Å
38	N	95.4	Very high	90.7	Very high	74 Å²	74	51.3 Å²	51.3	40%	0.396	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	37.3	169.7	-57.4	-55.2	0	0	0	114.9	G40 T57 F59 C64	N38-G40 VanDerWaalsContact C-N 3.28Å; N38-G40 PolarHBondContact O-N 3.35Å; N38-T57 WeakPolarHBondContact O-CG2 3.36Å; N38-F59 HydrophobicContact CB-CD2 3.53Å; N38-F59 HydrophobicContact CB-CE2 3.69Å; N38-F59 HydrophobicContact CB-CG 4.07Å; N38-F59 HydrophobicContact CB-CZ 4.33Å; N38-F59 WeakPolarHBondContact ND2-CD1 3.35Å; N38-F59 WeakPolarHBondContact ND2-CE1 3.39Å; N38-C64 PolarHBondContact ND2-O 2.97Å
39	R	95.2	Very high	91.8	Very high	98 Å²	98	54.4 Å²	54.4	37%	0.37	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	15.3	-176.8	-50.5	174.2	69.3	174.7	1.2	114.8	Q37 H118 D121	Q37-R39 VanDerWaalsContact C-N 3.26Å; Q37-R39 PolarHBondContact O-N 3.1Å; Q37-R39 VanDerWaalsContact O-N 3.1Å; R39-H118 PolarHBondContact NH1-O 3.04Å; R39-H118 VanDerWaalsContact NH1-O 3.12Å; R39-D121 IonicContact CZ-OD1 2.69Å; R39-D121 IonicContact NH2-OD1 3.47Å; R39-D121 PolarHBondContact NH2-OD1 3.26Å; R39-D121 IonicContact NH2-OD2 3.75Å
40	G	95.6	Very high	92.2	Very high	13 Å²	13	55.2 Å²	55.2	13%	0.134	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-59.9	146.5	166.3	0	0	0	0	0	111.3	C36 Q37 N38 D53	C36-G40 WeakPolarHBondContact CB-O 3.2Å; Q37-G40 PolarHBondContact O-N 3.42Å; N38-G40 VanDerWaalsContact C-N 3.28Å; N38-G40 PolarHBondContact O-N 3.35Å; G40-D53 VanDerWaalsContact CA-O 3.31Å; G40-D53 WeakPolarHBondContact CA-O 3.37Å
41	V	96.1	Very high	92.4	Very high	42 Å²	42	59.7 Å²	59.7	26%	0.255	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	121.9	-177.2	-177.6	0	0	0	0	109.7	C52 D53	V41-C52 WeakPolarHBondContact O-CA 3.5Å; V41-D53 HydrophobicContact CB-CB 4.39Å; V41-D53 PolarHBondContact N-O 3.06Å; V41-D53 VanDerWaalsContact N-O 3.1Å; V41-D53 PolarHBondContact O-N 2.76Å
42	C	96.1	Very high	92.5	Very high	36 Å²	36	59.5 Å²	59.5	24%	0.243	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	129.3	177.4	-168.4	0	0	0	0	111	C31 C36	C31-C42 WeakPolarHBondContact CA-SG 3.49Å; C31-C42 HydrophobicContact CB-CB 3.82Å; C31-C42 WeakPolarHBondContact CB-SG 3.37Å; C31-C42 WeakPolarHBondContact SG-CB 3.38Å; C31-C42 CovalentContact SG-SG 2.04Å; C31-C42 PolarHBondContact SG-SG 2.81Å; C36-C42 HydrophobicContact CB-CB 4.48Å; C36-C42 WeakPolarHBondContact SG-CA 3.21Å; C36-C42 WeakPolarHBondContact SG-CB 3.21Å
43	T	93.9	Very high	92.7	Very high	71 Å²	71	62.7 Å²	62.7	44%	0.436	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	123	170.6	-55	0	0	0	0	108.6	M45 Y50 E51	T43-M45 HydrophobicContact CG2-SD 4.43Å; T43-Y50 CarbonylContact O-C 3.14Å; T43-Y50 VanDerWaalsContact O-CA 3.29Å; T43-Y50 WeakPolarHBondContact O-CA 3.47Å; T43-E51 PolarHBondContact N-O 3.12Å; T43-E51 PolarHBondContact O-N 3.02Å
44	A	90.7	Very high	92.9	Very high	48 Å²	48	60.7 Å²	60.7	40%	0.397	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	129.9	175.3	0	0	0	0	0	110.3	P30	P30-A44 HydrophobicContact CG-CB 4.31Å
45	M	89.2	Confident	93	Very high	107 Å²	107	62.7 Å²	62.7	53%	0.527	36%	0.355	S	S	.	.			trans	-114.3	58.8	-178	-64.3	-63.3	-83.9	0	0	109.6	T43 N49 E51	T43-M45 HydrophobicContact CG2-SD 4.43Å; M45-N49 CarbonylContact C-O 3.59Å; M45-N49 WeakPolarHBondContact CA-O 3.03Å; M45-N49 HydrophobicContact CB-CB 4.21Å; M45-N49 PolarHBondContact N-O 3.33Å; M45-N49 WeakPolarHBondContact O-CB 3.49Å; M45-E51 HydrophobicContact CG-CB 4.02Å
46	G	83.4	Confident	93.1	Very high	55 Å²	55	73.4 Å²	73.4	57%	0.567	39%	0.394	S	S	*	.	S	Bend	trans	98.7	-163.5	-170.5	0	0	0	0	0	112.5
47	S	76.6	Confident	93	Very high	74 Å²	74	74 Å²	74	52%	0.517	40%	0.397	S	S	.	.	S	Bend	trans	-79.9	-19.3	-172.2	53.5	0	0	0	0	114.8	G27 G28	G27-S47 CarbonylContact C-O 3.38Å; G27-S47 WeakPolarHBondContact CA-O 3.24Å; G28-S47 VanDerWaalsContact O-O 3.1Å
48	E	81.9	Confident	93	Very high	146 Å²	146	72.1 Å²	72.1	68%	0.682	39%	0.391	S	S	*	.	S	Bend	trans	-130.3	-16.1	-174.6	-62.4	-172	170.2	0	0	113.8
49	N	90.3	Very high	93	Very high	114 Å²	114	69.9 Å²	69.9	61%	0.61	38%	0.378	S	S	*	.			trans	-106.8	151.3	-176.8	-72.6	-20.1	0	0	0	111.6	P30 M45	P30-N49 VanDerWaalsContact CG-O 3.23Å; P30-N49 WeakPolarHBondContact CG-O 3.39Å; M45-N49 CarbonylContact C-O 3.59Å; M45-N49 WeakPolarHBondContact CA-O 3.03Å; M45-N49 HydrophobicContact CB-CB 4.21Å; M45-N49 PolarHBondContact N-O 3.33Å; M45-N49 WeakPolarHBondContact O-CB 3.49Å
50	Y	95.1	Very high	93.1	Very high	56 Å²	56	71.6 Å²	71.6	22%	0.22	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	162.6	173.8	66.3	-83.1	0	0	0	110.7	P30 P35 T43 N63	P30-Y50 HydrophobicContact CB-CD1 3.78Å; P30-Y50 HydrophobicContact CB-CG 4.31Å; P35-Y50 HydrophobicContact CB-CD2 4.2Å; P35-Y50 HydrophobicContact CB-CE1 4.25Å; P35-Y50 HydrophobicContact CB-CE2 3.48Å; P35-Y50 VanDerWaalsContact CB-CE2 3.48Å; P35-Y50 VanDerWaalsContact CB-CZ 3.49Å; P35-Y50 HydrophobicContact CG-CD1 4.35Å; P35-Y50 HydrophobicContact CG-CD2 3.58Å; P35-Y50 HydrophobicContact CG-CE1 4.18Å; P35-Y50 HydrophobicContact CG-CE2 3.4Å; P35-Y50 VanDerWaalsContact CG-CE2 3.4Å; P35-Y50 HydrophobicContact CG-CG 4.06Å; T43-Y50 CarbonylContact O-C 3.14Å; T43-Y50 VanDerWaalsContact O-CA 3.29Å; T43-Y50 WeakPolarHBondContact O-CA 3.47Å; Y50-N63 WeakPolarHBondContact CE2-OD1 3.4Å; Y50-N63 PolarHBondContact OH-OD1 3.4Å
51	E	96.5	Very high	93.2	Very high	112 Å²	112	72.8 Å²	72.8	52%	0.523	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	139.8	170.5	-173.6	174.8	175.4	0	0	109.7	T43 M45	T43-E51 PolarHBondContact N-O 3.12Å; T43-E51 PolarHBondContact O-N 3.02Å; M45-E51 HydrophobicContact CG-CB 4.02Å
52	C	97.6	Very high	93.1	Very high	14 Å²	14	77.7 Å²	77.7	10%	0.095	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	116.8	171.7	-65.6	0	0	0	0	110.4	C36 V41 C54 Q62	C36-C52 WeakPolarHBondContact CA-SG 3.48Å; C36-C52 HydrophobicContact CB-CB 3.77Å; C36-C52 WeakPolarHBondContact CB-SG 3.35Å; C36-C52 WeakPolarHBondContact SG-CA 3.2Å; C36-C52 WeakPolarHBondContact SG-CB 3.4Å; C36-C52 CovalentContact SG-SG 2.02Å; C36-C52 PolarHBondContact SG-SG 3Å; V41-C52 WeakPolarHBondContact O-CA 3.5Å; C52-C54 PolarHBondContact O-N 3.45Å; C52-Q62 VanDerWaalsContact CB-O 3.26Å; C52-Q62 WeakPolarHBondContact CB-O 3.27Å; C52-Q62 PolarHBondContact SG-O 2.73Å
53	D	97.4	Very high	93.2	Very high	71 Å²	71	78.2 Å²	78.2	38%	0.38	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	104.7	167.8	179.1	5.8	0	0	0	109.4	G40 V41 T55	G40-D53 VanDerWaalsContact CA-O 3.31Å; G40-D53 WeakPolarHBondContact CA-O 3.37Å; V41-D53 HydrophobicContact CB-CB 4.39Å; V41-D53 PolarHBondContact N-O 3.06Å; V41-D53 VanDerWaalsContact N-O 3.1Å; V41-D53 PolarHBondContact O-N 2.76Å; D53-T55 VanDerWaalsContact C-N 3.35Å; D53-T55 WeakPolarHBondContact OD1-CB 3.19Å; D53-T55 PolarHBondContact OD1-N 3.49Å; D53-T55 PolarHBondContact OD1-OG1 2.99Å
54	C	97.4	Very high	93.3	Very high	23 Å²	23	74.8 Å²	74.8	16%	0.155	40%	0.397	C	S	.	.			trans	-91.7	10.2	178.6	-48.7	0	0	0	0	113.5	C52 R56 T57 F59 C64	C52-C54 PolarHBondContact O-N 3.45Å; C54-R56 PolarHBondContact O-N 3.3Å; C54-T57 WeakPolarHBondContact O-CB 3.03Å; C54-T57 WeakPolarHBondContact O-CG2 3.25Å; C54-T57 PolarHBondContact O-N 2.84Å; C54-T57 PolarHBondContact O-OG1 2.87Å; C54-F59 VanDerWaalsContact CB-O 3.28Å; C54-F59 WeakPolarHBondContact CB-O 3.26Å; C54-C64 WeakPolarHBondContact CA-SG 3.11Å; C54-C64 HydrophobicContact CB-CB 3.83Å; C54-C64 WeakPolarHBondContact CB-SG 3.4Å; C54-C64 WeakPolarHBondContact SG-CA 3.48Å; C54-C64 WeakPolarHBondContact SG-CB 3.27Å; C54-C64 CovalentContact SG-SG 2.03Å; C54-C64 PolarHBondContact SG-SG 3.27Å
55	T	97.3	Very high	93.7	Very high	84 Å²	84	76.1 Å²	76.1	52%	0.515	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	121.3	-174.2	-63.7	0	0	0	0	112.3	D53 T57	D53-T55 VanDerWaalsContact C-N 3.35Å; D53-T55 WeakPolarHBondContact OD1-CB 3.19Å; D53-T55 PolarHBondContact OD1-N 3.49Å; D53-T55 PolarHBondContact OD1-OG1 2.99Å; T55-T57 PolarHBondContact O-N 3.41Å; T55-T57 VanDerWaalsContact O-N 3.14Å
56	R	95.1	Very high	94	Very high	235 Å²	235	73.7 Å²	73.7	89%	0.887	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	20.1	179.4	-60.7	-179.5	-67.8	-102.2	-1.9	114.9	C54 G58	C54-R56 PolarHBondContact O-N 3.3Å; R56-G58 VanDerWaalsContact C-N 3.26Å
57	T	95.2	Very high	94.7	Very high	31 Å²	31	73 Å²	73	19%	0.19	38%	0.377	C	S	.	.	S	Bend	trans	-74.1	-22.6	168.8	63.1	0	0	0	0	111.8	N38 C54 T55 F59	N38-T57 WeakPolarHBondContact O-CG2 3.36Å; C54-T57 WeakPolarHBondContact O-CB 3.03Å; C54-T57 WeakPolarHBondContact O-CG2 3.25Å; C54-T57 PolarHBondContact O-N 2.84Å; C54-T57 PolarHBondContact O-OG1 2.87Å; T55-T57 PolarHBondContact O-N 3.41Å; T55-T57 VanDerWaalsContact O-N 3.14Å; T57-F59 VanDerWaalsContact C-N 3.27Å; T57-F59 WeakPolarHBondContact O-CD2 3.47Å; T57-F59 PolarHBondContact OG1-N 3.26Å; T57-F59 VanDerWaalsContact OG1-N 3.12Å; T57-F59 PolarHBondContact OG1-O 3.11Å
58	G	96	Very high	95.6	Very high	10 Å²	10	74.2 Å²	74.2	10%	0.103	37%	0.374	C	S	.	.	S	Bend	trans	80.8	8.9	-169.1	0	0	0	0	0	113.2	R56 E68 T71	R56-G58 VanDerWaalsContact C-N 3.26Å; G58-E68 WeakPolarHBondContact O-CG 3.27Å; G58-E68 PolarHBondContact O-N 3.43Å; G58-T71 WeakPolarHBondContact CA-OG1 3.29Å; G58-T71 WeakPolarHBondContact O-CB 3.38Å; G58-T71 WeakPolarHBondContact O-CG2 3.11Å; G58-T71 PolarHBondContact O-OG1 3.25Å
59	F	97.4	Very high	96.3	Very high	28 Å²	28	74.2 Å²	74.2	12%	0.123	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	160.2	177.1	-64.1	-99.5	0	0	0	110.7	N38 C54 T57 C64 T66 P67 T71 V75	N38-F59 HydrophobicContact CB-CD2 3.53Å; N38-F59 HydrophobicContact CB-CE2 3.69Å; N38-F59 HydrophobicContact CB-CG 4.07Å; N38-F59 HydrophobicContact CB-CZ 4.33Å; N38-F59 WeakPolarHBondContact ND2-CD1 3.35Å; N38-F59 WeakPolarHBondContact ND2-CE1 3.39Å; C54-F59 VanDerWaalsContact CB-O 3.28Å; C54-F59 WeakPolarHBondContact CB-O 3.26Å; T57-F59 VanDerWaalsContact C-N 3.27Å; T57-F59 WeakPolarHBondContact O-CD2 3.47Å; T57-F59 PolarHBondContact OG1-N 3.26Å; T57-F59 VanDerWaalsContact OG1-N 3.12Å; T57-F59 PolarHBondContact OG1-O 3.11Å; F59-C64 HydrophobicContact CB-CB 4.28Å; F59-C64 WeakPolarHBondContact CB-O 3.39Å; F59-C64 WeakPolarHBondContact CG-O 3.43Å; F59-T66 CarbonylContact C-O 3.58Å; F59-T66 WeakPolarHBondContact CA-O 3.46Å; F59-P67 HydrophobicContact CD1-CB 3.84Å; F59-P67 HydrophobicContact CE1-CB 3.66Å; F59-P67 HydrophobicContact CE1-CG 4.42Å; F59-P67 HydrophobicContact CZ-CB 4.42Å; F59-T71 HydrophobicContact CD2-CG2 4.09Å; F59-T71 HydrophobicContact CE1-CG2 4.39Å; F59-T71 HydrophobicContact CE2-CG2 3.54Å; F59-T71 HydrophobicContact CZ-CG2 3.71Å; F59-V75 HydrophobicContact CZ-CG2 4.41Å
60	Y	96.7	Very high	96.5	Very high	134 Å²	134	74.1 Å²	74.1	53%	0.525	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	-176.9	175.7	67.1	-86.8	0	0	0	111.5	T65 T66	Y60-T65 PolarHBondContact O-N 3.48Å; Y60-T66 HydrophobicContact CD1-CG2 4.45Å; Y60-T66 VanDerWaalsContact CD1-O 3.24Å; Y60-T66 WeakPolarHBondContact CD1-O 3.12Å; Y60-T66 HydrophobicContact CD2-CG2 4.46Å; Y60-T66 HydrophobicContact CE1-CG2 3.71Å; Y60-T66 HydrophobicContact CE2-CG2 3.73Å; Y60-T66 PolarHBondContact N-O 3.26Å; Y60-T66 WeakPolarHBondContact O-CB 3.49Å; Y60-T66 PolarHBondContact O-N 3.32Å; Y60-T66 VanDerWaalsContact OH-CG2 3.29Å; Y60-T66 WeakPolarHBondContact OH-CG2 3.11Å
61	G	96.3	Very high	96.4	Very high	38 Å²	38	72.4 Å²	72.4	39%	0.392	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.4	174	-174.5	0	0	0	0	0	112.2	N63 C64	G61-N63 PolarHBondContact O-N 3.21Å; G61-C64 PolarHBondContact O-N 2.81Å; G61-C64 VanDerWaalsContact O-N 3.15Å
62	Q	95.4	Very high	96.4	Very high	144 Å²	144	73.7 Å²	73.7	67%	0.673	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-36.4	-171.3	-172.5	178.1	1.4	0	0	113.8	C52	C52-Q62 VanDerWaalsContact CB-O 3.26Å; C52-Q62 WeakPolarHBondContact CB-O 3.27Å; C52-Q62 PolarHBondContact SG-O 2.73Å
63	N	97.3	Very high	96.3	Very high	47 Å²	47	75.7 Å²	75.7	25%	0.251	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	13.9	-175	-67.3	-7.9	0	0	0	113.7	P35 Q37 Y50 G61 T65	P35-N63 WeakPolarHBondContact O-CB 3.19Å; Q37-N63 PolarHBondContact N-O 2.95Å; Y50-N63 WeakPolarHBondContact CE2-OD1 3.4Å; Y50-N63 PolarHBondContact OH-OD1 3.4Å; G61-N63 PolarHBondContact O-N 3.21Å; N63-T65 VanDerWaalsContact C-N 3.32Å; N63-T65 HydrophobicContact CB-CG2 4.01Å; N63-T65 PolarHBondContact O-N 3.33Å
64	C	97.5	Very high	96	Very high	0 Å²	0	79.4 Å²	79.4	0%	0	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	56	41.9	-174.8	-43.8	0	0	0	0	113.7	N38 C54 F59 G61	N38-C64 PolarHBondContact ND2-O 2.97Å; C54-C64 WeakPolarHBondContact CA-SG 3.11Å; C54-C64 HydrophobicContact CB-CB 3.83Å; C54-C64 WeakPolarHBondContact CB-SG 3.4Å; C54-C64 WeakPolarHBondContact SG-CA 3.48Å; C54-C64 WeakPolarHBondContact SG-CB 3.27Å; C54-C64 CovalentContact SG-SG 2.03Å; C54-C64 PolarHBondContact SG-SG 3.27Å; F59-C64 HydrophobicContact CB-CB 4.28Å; F59-C64 WeakPolarHBondContact CB-O 3.39Å; F59-C64 WeakPolarHBondContact CG-O 3.43Å; G61-C64 PolarHBondContact O-N 2.81Å; G61-C64 VanDerWaalsContact O-N 3.15Å
65	T	97.3	Very high	95.7	Very high	76 Å²	76	82.4 Å²	82.4	47%	0.466	41%	0.406	S	S	.	.			trans	-105.6	-18	-176.4	50	0	0	0	0	113.7	Q37 Y60 N63 P67	Q37-T65 HydrophobicContact CB-CG2 4.07Å; Q37-T65 HydrophobicContact CG-CG2 3.78Å; Y60-T65 PolarHBondContact O-N 3.48Å; N63-T65 VanDerWaalsContact C-N 3.32Å; N63-T65 HydrophobicContact CB-CG2 4.01Å; N63-T65 PolarHBondContact O-N 3.33Å; T65-P67 WeakPolarHBondContact O-CD 3.46Å
66	T	97.3	Very high	95.4	Very high	55 Å²	55	82 Å²	82	34%	0.337	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	113.3	-178.1	-49	0	0	0	0	109.4	F59 Y60	F59-T66 CarbonylContact C-O 3.58Å; F59-T66 WeakPolarHBondContact CA-O 3.46Å; Y60-T66 HydrophobicContact CD1-CG2 4.45Å; Y60-T66 VanDerWaalsContact CD1-O 3.24Å; Y60-T66 WeakPolarHBondContact CD1-O 3.12Å; Y60-T66 HydrophobicContact CD2-CG2 4.46Å; Y60-T66 HydrophobicContact CE1-CG2 3.71Å; Y60-T66 HydrophobicContact CE2-CG2 3.73Å; Y60-T66 PolarHBondContact N-O 3.26Å; Y60-T66 WeakPolarHBondContact O-CB 3.49Å; Y60-T66 PolarHBondContact O-N 3.32Å; Y60-T66 VanDerWaalsContact OH-CG2 3.29Å; Y60-T66 WeakPolarHBondContact OH-CG2 3.11Å
67	P	96.8	Very high	95.3	Very high	42 Å²	42	77.3 Å²	77.3	27%	0.273	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	145.1	-175.9	29.5	-34.2	0	0	0	111.7	F59 T65 T71 W72	F59-P67 HydrophobicContact CD1-CB 3.84Å; F59-P67 HydrophobicContact CE1-CB 3.66Å; F59-P67 HydrophobicContact CE1-CG 4.42Å; F59-P67 HydrophobicContact CZ-CB 4.42Å; T65-P67 WeakPolarHBondContact O-CD 3.46Å; P67-T71 HydrophobicContact CB-CG2 4.31Å; P67-W72 HydrophobicContact CB-CB 4.03Å; P67-W72 HydrophobicContact CG-CB 3.97Å; P67-W72 HydrophobicContact CG-CG 4.48Å
68	E	96.8	Very high	95.1	Very high	98 Å²	98	81.3 Å²	81.3	46%	0.458	41%	0.413	S	S	.	.			trans	-63.7	155.4	159.5	-66.1	169.7	-165.2	0	0	110.2	G58 L70 T71 W72	G58-E68 WeakPolarHBondContact O-CG 3.27Å; G58-E68 PolarHBondContact O-N 3.43Å; E68-L70 PolarHBondContact O-N 3.37Å; E68-T71 WeakPolarHBondContact O-CA 3.33Å; E68-T71 WeakPolarHBondContact O-CB 3.29Å; E68-T71 PolarHBondContact O-N 3.42Å; E68-W72 PolarHBondContact O-N 3.36Å
69	F	95.7	Very high	95	Very high	146 Å²	146	84 Å²	84	64%	0.64	43%	0.429	S	S	*	.	H	α-helix	trans	-54	-46.3	-176.7	178.7	-107.3	0	0	0	113.7	T71 W72 I73	F69-T71 VanDerWaalsContact C-N 3.35Å; F69-T71 PolarHBondContact O-N 3.02Å; F69-W72 WeakPolarHBondContact O-CB 3.41Å; F69-W72 PolarHBondContact O-N 2.68Å; F69-I73 HydrophobicContact CD1-CD1 4.08Å; F69-I73 HydrophobicContact CE1-CD1 3.52Å; F69-I73 HydrophobicContact CE2-CD1 4.31Å; F69-I73 HydrophobicContact CZ-CD1 3.66Å; F69-I73 HydrophobicContact CZ-CG1 4.45Å; F69-I73 WeakPolarHBondContact O-CG1 3.44Å; F69-I73 PolarHBondContact O-N 2.87Å; F69-I73 VanDerWaalsContact O-N 3.09Å
70	L	94.8	Very high	94.8	Very high	113 Å²	113	85.3 Å²	85.3	59%	0.592	44%	0.441	S	S	*	.	H	α-helix	trans	-68.4	-33.9	178	-70.3	176.1	0	0	0	112.6	E68 K74	E68-L70 PolarHBondContact O-N 3.37Å; L70-K74 VanDerWaalsContact O-CG 3.29Å; L70-K74 WeakPolarHBondContact O-CG 3.44Å; L70-K74 PolarHBondContact O-N 3.29Å
71	T	93.6	Very high	94.6	Very high	19 Å²	19	80 Å²	80	12%	0.117	42%	0.423	C	S	.	.	H	α-helix	trans	-67	-43.3	175	-57.3	0	0	0	0	110.5	G58 F59 P67 E68 F69 I73 K74 V75	G58-T71 WeakPolarHBondContact CA-OG1 3.29Å; G58-T71 WeakPolarHBondContact O-CB 3.38Å; G58-T71 WeakPolarHBondContact O-CG2 3.11Å; G58-T71 PolarHBondContact O-OG1 3.25Å; F59-T71 HydrophobicContact CD2-CG2 4.09Å; F59-T71 HydrophobicContact CE1-CG2 4.39Å; F59-T71 HydrophobicContact CE2-CG2 3.54Å; F59-T71 HydrophobicContact CZ-CG2 3.71Å; P67-T71 HydrophobicContact CB-CG2 4.31Å; E68-T71 WeakPolarHBondContact O-CA 3.33Å; E68-T71 WeakPolarHBondContact O-CB 3.29Å; E68-T71 PolarHBondContact O-N 3.42Å; F69-T71 VanDerWaalsContact C-N 3.35Å; F69-T71 PolarHBondContact O-N 3.02Å; T71-I73 PolarHBondContact O-N 3.37Å; T71-K74 PolarHBondContact O-N 3.08Å; T71-V75 HydrophobicContact CG2-CG2 4.13Å; T71-V75 WeakPolarHBondContact O-CB 3.36Å; T71-V75 VanDerWaalsContact O-CG2 3.31Å; T71-V75 WeakPolarHBondContact O-CG2 3.22Å; T71-V75 PolarHBondContact O-N 3.07Å
72	W	95.4	Very high	94.3	Very high	140 Å²	140	81.6 Å²	81.6	53%	0.53	42%	0.423	S	S	.	.	H	α-helix	trans	-56.4	-50.4	174.9	176.6	81.4	0	0	0	111	P67 E68 F69 K74 V75 S76	P67-W72 HydrophobicContact CB-CB 4.03Å; P67-W72 HydrophobicContact CG-CB 3.97Å; P67-W72 HydrophobicContact CG-CG 4.48Å; E68-W72 PolarHBondContact O-N 3.36Å; F69-W72 WeakPolarHBondContact O-CB 3.41Å; F69-W72 PolarHBondContact O-N 2.68Å; W72-K74 PolarHBondContact O-N 3.17Å; W72-V75 PolarHBondContact O-N 3.38Å; W72-S76 VanDerWaalsContact O-CB 3.27Å; W72-S76 WeakPolarHBondContact O-CB 3.45Å; W72-S76 PolarHBondContact O-N 3.09Å; W72-S76 PolarHBondContact O-OG 2.91Å
73	I	94.8	Very high	94.3	Very high	56 Å²	56	78 Å²	78	29%	0.287	41%	0.411	S	S	.	.	H	α-helix	trans	-56	-50	175.6	-66.3	174.3	0	0	0	111.3	F69 T71 V75 S76 L77	F69-I73 HydrophobicContact CD1-CD1 4.08Å; F69-I73 HydrophobicContact CE1-CD1 3.52Å; F69-I73 HydrophobicContact CE2-CD1 4.31Å; F69-I73 HydrophobicContact CZ-CD1 3.66Å; F69-I73 HydrophobicContact CZ-CG1 4.45Å; F69-I73 WeakPolarHBondContact O-CG1 3.44Å; F69-I73 PolarHBondContact O-N 2.87Å; F69-I73 VanDerWaalsContact O-N 3.09Å; T71-I73 PolarHBondContact O-N 3.37Å; I73-V75 PolarHBondContact O-N 2.73Å; I73-S76 PolarHBondContact O-N 2.79Å; I73-L77 HydrophobicContact CG2-CD1 3.72Å; I73-L77 HydrophobicContact CG2-CG 4.42Å; I73-L77 WeakPolarHBondContact O-CB 3.38Å; I73-L77 WeakPolarHBondContact O-CG 3.5Å; I73-L77 PolarHBondContact O-N 2.97Å
74	K	92	Very high	94.1	Very high	148 Å²	148	78.1 Å²	78.1	64%	0.643	41%	0.413	S	S	*	.	H	α-helix	trans	-61	-45.5	-178.1	-75.4	172.2	-175.3	173.6	0	112	L70 T71 W72 K78	L70-K74 VanDerWaalsContact O-CG 3.29Å; L70-K74 WeakPolarHBondContact O-CG 3.44Å; L70-K74 PolarHBondContact O-N 3.29Å; T71-K74 PolarHBondContact O-N 3.08Å; W72-K74 PolarHBondContact O-N 3.17Å; K74-K78 VanDerWaalsContact O-CB 3.3Å; K74-K78 WeakPolarHBondContact O-CB 3.38Å; K74-K78 PolarHBondContact O-N 2.71Å
75	V	90.6	Very high	93.9	Very high	86 Å²	86	79.2 Å²	79.2	52%	0.521	42%	0.418	S	S	.	.	H	α-helix	trans	-69.1	-40.6	-179.1	173	0	0	0	0	110.6	F59 T71 W72 I73 L77 K78	F59-V75 HydrophobicContact CZ-CG2 4.41Å; T71-V75 HydrophobicContact CG2-CG2 4.13Å; T71-V75 WeakPolarHBondContact O-CB 3.36Å; T71-V75 VanDerWaalsContact O-CG2 3.31Å; T71-V75 WeakPolarHBondContact O-CG2 3.22Å; T71-V75 PolarHBondContact O-N 3.07Å; W72-V75 PolarHBondContact O-N 3.38Å; I73-V75 PolarHBondContact O-N 2.73Å; V75-L77 PolarHBondContact O-N 3.2Å; V75-K78 PolarHBondContact O-N 3.49Å
76	S	91.4	Very high	93.8	Very high	75 Å²	75	81.4 Å²	81.4	52%	0.524	42%	0.419	S	S	.	.	H	α-helix	trans	-66.3	-33.4	178.2	-67.6	0	0	0	0	113.5	W72 I73	W72-S76 VanDerWaalsContact O-CB 3.27Å; W72-S76 WeakPolarHBondContact O-CB 3.45Å; W72-S76 PolarHBondContact O-N 3.09Å; W72-S76 PolarHBondContact O-OG 2.91Å; I73-S76 PolarHBondContact O-N 2.79Å
77	L	93.1	Very high	93.8	Very high	137 Å²	137	82.2 Å²	82.2	72%	0.717	42%	0.421	S	S	*	.	H	α-helix	trans	-90.2	-11.8	178.4	-64.7	176.7	0	0	0	113.7	I73 V75 P79	I73-L77 HydrophobicContact CG2-CD1 3.72Å; I73-L77 HydrophobicContact CG2-CG 4.42Å; I73-L77 WeakPolarHBondContact O-CB 3.38Å; I73-L77 WeakPolarHBondContact O-CG 3.5Å; I73-L77 PolarHBondContact O-N 2.97Å; V75-L77 PolarHBondContact O-N 3.2Å; L77-P79 VanDerWaalsContact O-CD 3.3Å; L77-P79 WeakPolarHBondContact O-CD 3.31Å
78	K	91.3	Very high	93.7	Very high	115 Å²	115	81.2 Å²	81.2	50%	0.5	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-69.8	117.2	-177.3	-175.3	179.6	178.2	-171.9	0	109.7	K74 V75	K74-K78 VanDerWaalsContact O-CB 3.3Å; K74-K78 WeakPolarHBondContact O-CB 3.38Å; K74-K78 PolarHBondContact O-N 2.71Å; V75-K78 PolarHBondContact O-N 3.49Å
79	P	93.3	Very high	93.6	Very high	66 Å²	66	77.9 Å²	77.9	43%	0.429	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-64.3	151.2	175.2	27.3	-34.4	0	0	0	110.8	L77 T83 V84	L77-P79 VanDerWaalsContact O-CD 3.3Å; L77-P79 WeakPolarHBondContact O-CD 3.31Å; P79-T83 HydrophobicContact CB-CG2 4.17Å; P79-V84 HydrophobicContact CB-CG2 4.05Å; P79-V84 HydrophobicContact CG-CG2 3.59Å
80	S	92.6	Very high	93.6	Very high	56 Å²	56	74.4 Å²	74.4	39%	0.392	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-62.1	151.3	175	81.2	0	0	0	0	110.9	N82 T83 V84	S80-N82 PolarHBondContact O-N 2.68Å; S80-T83 WeakPolarHBondContact O-CB 3.36Å; S80-T83 PolarHBondContact O-N 3.26Å; S80-T83 PolarHBondContact OG-N 2.87Å; S80-T83 VanDerWaalsContact OG-N 3.09Å; S80-T83 PolarHBondContact OG-OG1 2.88Å; S80-V84 PolarHBondContact O-N 3.31Å
81	P	92.8	Very high	93.7	Very high	22 Å²	22	74.6 Å²	74.6	14%	0.143	38%	0.381	C	S	.	.	H	α-helix	trans	-56.4	-35.8	177	-25.2	34.4	0	0	0	113.3	V84 H85 R509 E516 E520	P81-V84 PolarHBondContact O-N 2.78Å; P81-H85 WeakPolarHBondContact O-CB 3.23Å; P81-H85 PolarHBondContact O-N 2.95Å; P81-R509 PolarHBondContact O-NH2 2.64Å; P81-E516 HydrophobicContact CB-CG 4.41Å; P81-E516 WeakPolarHBondContact CB-OE1 3.42Å; P81-E516 WeakPolarHBondContact CG-OE1 3.48Å; P81-E520 HydrophobicContact CB-CG 3.93Å; P81-E520 HydrophobicContact CG-CG 4.31Å
82	N	90.9	Very high	93.8	Very high	72 Å²	72	80 Å²	80	39%	0.385	40%	0.403	S	S	.	.	H	α-helix	trans	-68.1	-34.7	175.7	-68	-27	0	0	0	112.6	S80 H85 Y86 R509	S80-N82 PolarHBondContact O-N 2.68Å; N82-H85 PolarHBondContact O-N 2.95Å; N82-Y86 WeakPolarHBondContact O-CB 3.44Å; N82-Y86 PolarHBondContact O-N 3.33Å; N82-R509 PolarHBondContact OD1-NE 3.41Å; N82-R509 PolarHBondContact OD1-NH2 3.43Å
83	T	94.3	Very high	93.8	Very high	68 Å²	68	75.5 Å²	75.5	42%	0.417	40%	0.4	S	S	.	.	H	α-helix	trans	-64.3	-46.2	171.8	-52.9	0	0	0	0	111.1	P79 S80 H85 Y86 I87	P79-T83 HydrophobicContact CB-CG2 4.17Å; S80-T83 WeakPolarHBondContact O-CB 3.36Å; S80-T83 PolarHBondContact O-N 3.26Å; S80-T83 PolarHBondContact OG-N 2.87Å; S80-T83 VanDerWaalsContact OG-N 3.09Å; S80-T83 PolarHBondContact OG-OG1 2.88Å; T83-H85 VanDerWaalsContact C-N 3.32Å; T83-H85 PolarHBondContact O-N 2.9Å; T83-Y86 PolarHBondContact O-N 2.98Å; T83-I87 HydrophobicContact CG2-CD1 4.33Å; T83-I87 WeakPolarHBondContact O-CG1 3.49Å; T83-I87 PolarHBondContact O-N 2.81Å; T83-I87 VanDerWaalsContact O-N 3.09Å
84	V	94.7	Very high	93.9	Very high	51 Å²	51	78 Å²	78	31%	0.309	41%	0.41	S	S	.	.	H	α-helix	trans	-61.3	-44.1	177.5	176.2	0	0	0	0	110.7	P79 S80 P81 I87 L88	P79-V84 HydrophobicContact CB-CG2 4.05Å; P79-V84 HydrophobicContact CG-CG2 3.59Å; S80-V84 PolarHBondContact O-N 3.31Å; P81-V84 PolarHBondContact O-N 2.78Å; V84-I87 PolarHBondContact O-N 3.26Å; V84-L88 HydrophobicContact CG1-CD1 3.77Å; V84-L88 HydrophobicContact CG1-CG 4.47Å; V84-L88 WeakPolarHBondContact O-CG 3.45Å; V84-L88 PolarHBondContact O-N 3.33Å
85	H	93.1	Very high	94.2	Very high	22 Å²	22	71.6 Å²	71.6	10%	0.102	38%	0.381	C	S	.	.	H	α-helix	trans	-59.6	-47.1	176.1	179.9	70.6	0	0	0	112.3	P81 N82 T83 I87 L88 T89 Y351 R509	P81-H85 WeakPolarHBondContact O-CB 3.23Å; P81-H85 PolarHBondContact O-N 2.95Å; N82-H85 PolarHBondContact O-N 2.95Å; T83-H85 VanDerWaalsContact C-N 3.32Å; T83-H85 PolarHBondContact O-N 2.9Å; H85-I87 VanDerWaalsContact C-N 3.3Å; H85-I87 PolarHBondContact O-N 3.13Å; H85-L88 PolarHBondContact O-N 2.93Å; H85-L88 VanDerWaalsContact O-N 3.09Å; H85-T89 VanDerWaalsContact CE1-CG2 3.41Å; H85-T89 WeakPolarHBondContact CE1-CG2 3.33Å; H85-T89 PolarHBondContact O-N 2.88Å; H85-T89 PolarHBondContact O-OG1 3.37Å; H85-Y351 AromaticContact ND1-CE1 3.65Å; H85-R509 PolarHBondContact ND1-NH1 3.19Å
86	Y	95.3	Very high	94.5	Very high	122 Å²	122	71.7 Å²	71.7	48%	0.478	38%	0.379	S	S	.	.	H	α-helix	trans	-54.8	-46.9	176.4	-178.2	-90.9	0	0	0	111.2	N82 T83 L88 T89 H90 F91	N82-Y86 WeakPolarHBondContact O-CB 3.44Å; N82-Y86 PolarHBondContact O-N 3.33Å; T83-Y86 PolarHBondContact O-N 2.98Å; Y86-L88 VanDerWaalsContact C-N 3.34Å; Y86-L88 PolarHBondContact O-N 3.06Å; Y86-T89 PolarHBondContact O-N 3.44Å; Y86-T89 PolarHBondContact O-OG1 2.93Å; Y86-H90 AromaticContact CD2-CE1 3.36Å; Y86-H90 WeakPolarHBondContact CD2-CE1 3.33Å; Y86-H90 AromaticContact CD2-ND1 3.53Å; Y86-H90 AromaticContact CD2-NE2 3.76Å; Y86-H90 HydrophobicContact CE1-CB 4.29Å; Y86-H90 AromaticContact CE2-CD2 3.5Å; Y86-H90 VanDerWaalsContact CE2-CD2 3.5Å; Y86-H90 WeakPolarHBondContact CE2-CD2 3.39Å; Y86-H90 AromaticContact CE2-CE1 3.37Å; Y86-H90 WeakPolarHBondContact CE2-CE1 3.45Å; Y86-H90 AromaticContact CE2-CG 3.77Å; Y86-H90 AromaticContact CE2-ND1 3.68Å; Y86-H90 AromaticContact CE2-NE2 3.23Å; Y86-H90 WeakPolarHBondContact CE2-NE2 3.42Å; Y86-H90 AromaticContact CG-ND1 3.86Å; Y86-H90 AromaticContact CZ-CD2 3.58Å; Y86-H90 AromaticContact CZ-CG 3.78Å; Y86-H90 AromaticContact CZ-NE2 3.84Å; Y86-H90 WeakPolarHBondContact O-CB 3.5Å; Y86-H90 PolarHBondContact O-N 2.02Å; Y86-H90 PolarHBondContact O-ND1 3.31Å; Y86-F91 HydrophobicContact CD1-CE2 4.33Å; Y86-F91 AromaticContact CE1-CE2 3.91Å; Y86-F91 HydrophobicContact CE1-CE2 3.91Å; Y86-F91 HydrophobicContact CE1-CZ 4.06Å
87	I	96.3	Very high	94.8	Very high	73 Å²	73	73 Å²	73	37%	0.374	38%	0.379	S	S	.	.	H	α-helix	trans	-61.5	-42.7	177.7	-61.1	166.1	0	0	0	110.9	T83 V84 H85 T89 H90 W95	T83-I87 HydrophobicContact CG2-CD1 4.33Å; T83-I87 WeakPolarHBondContact O-CG1 3.49Å; T83-I87 PolarHBondContact O-N 2.81Å; T83-I87 VanDerWaalsContact O-N 3.09Å; V84-I87 PolarHBondContact O-N 3.26Å; H85-I87 VanDerWaalsContact C-N 3.3Å; H85-I87 PolarHBondContact O-N 3.13Å; I87-T89 VanDerWaalsContact C-N 3.34Å; I87-T89 PolarHBondContact O-N 3.3Å; I87-H90 VanDerWaalsContact O-O 3.13Å; I87-W95 HydrophobicContact CG2-CZ2 4Å; I87-W95 PolarHBondContact O-NE1 3.46Å
88	L	95.8	Very high	95	Very high	20 Å²	20	67.1 Å²	67.1	11%	0.105	35%	0.348	C	S	.	.	H	α-helix	trans	-70.7	-24.7	-178.4	-72.9	165.7	0	0	0	114.1	V84 H85 Y86 W95 Y351 H352 F353	V84-L88 HydrophobicContact CG1-CD1 3.77Å; V84-L88 HydrophobicContact CG1-CG 4.47Å; V84-L88 WeakPolarHBondContact O-CG 3.45Å; V84-L88 PolarHBondContact O-N 3.33Å; H85-L88 PolarHBondContact O-N 2.93Å; H85-L88 VanDerWaalsContact O-N 3.09Å; Y86-L88 VanDerWaalsContact C-N 3.34Å; Y86-L88 PolarHBondContact O-N 3.06Å; L88-W95 HydrophobicContact CD2-CH2 3.72Å; L88-W95 HydrophobicContact CD2-CZ2 3.65Å; L88-W95 HydrophobicContact CG-CZ2 4.32Å; L88-Y351 HydrophobicContact CB-CD1 3.71Å; L88-Y351 HydrophobicContact CB-CD2 4.37Å; L88-Y351 HydrophobicContact CB-CE1 4.15Å; L88-Y351 HydrophobicContact CB-CG 3.87Å; L88-Y351 HydrophobicContact CD1-CD1 4.37Å; L88-Y351 HydrophobicContact CD1-CD2 4.01Å; L88-Y351 HydrophobicContact CD1-CE1 4.17Å; L88-Y351 HydrophobicContact CD1-CE2 3.74Å; L88-Y351 HydrophobicContact CD1-CG 4.33Å; L88-Y351 HydrophobicContact CD2-CD2 4.41Å; L88-Y351 HydrophobicContact CG-CG 4.48Å; L88-Y351 WeakPolarHBondContact O-CA 3.27Å; L88-H352 PolarHBondContact O-N 3.25Å; L88-F353 HydrophobicContact CD2-CB 3.87Å
89	T	95.1	Very high	95.3	Very high	29 Å²	29	62.6 Å²	62.6	18%	0.178	33%	0.329	C	S	.	.	H	α-helix	trans	-104.8	-2.8	-179.5	58.9	0	0	0	0	114	H85 Y86 I87 Y351 H352	H85-T89 VanDerWaalsContact CE1-CG2 3.41Å; H85-T89 WeakPolarHBondContact CE1-CG2 3.33Å; H85-T89 PolarHBondContact O-N 2.88Å; H85-T89 PolarHBondContact O-OG1 3.37Å; Y86-T89 PolarHBondContact O-N 3.44Å; Y86-T89 PolarHBondContact O-OG1 2.93Å; I87-T89 VanDerWaalsContact C-N 3.34Å; I87-T89 PolarHBondContact O-N 3.3Å; T89-Y351 HydrophobicContact CG2-CD1 3.99Å; T89-Y351 HydrophobicContact CG2-CE1 4.48Å; T89-H352 PolarHBondContact O-CD2 3.22Å; T89-H352 PolarHBondContact O-NE2 3.2Å; T89-H352 VanDerWaalsContact O-NE2 3.13Å
90	H	94.3	Very high	95.4	Very high	72 Å²	72	63.9 Å²	63.9	33%	0.333	34%	0.34	S	S	.	.	S	Bend	trans	-117.7	175.4	176	-65.1	65.9	0	0	0	110.4	Y86 I87 K92 W95	Y86-H90 AromaticContact CD2-CE1 3.36Å; Y86-H90 WeakPolarHBondContact CD2-CE1 3.33Å; Y86-H90 AromaticContact CD2-ND1 3.53Å; Y86-H90 AromaticContact CD2-NE2 3.76Å; Y86-H90 HydrophobicContact CE1-CB 4.29Å; Y86-H90 AromaticContact CE2-CD2 3.5Å; Y86-H90 VanDerWaalsContact CE2-CD2 3.5Å; Y86-H90 WeakPolarHBondContact CE2-CD2 3.39Å; Y86-H90 AromaticContact CE2-CE1 3.37Å; Y86-H90 WeakPolarHBondContact CE2-CE1 3.45Å; Y86-H90 AromaticContact CE2-CG 3.77Å; Y86-H90 AromaticContact CE2-ND1 3.68Å; Y86-H90 AromaticContact CE2-NE2 3.23Å; Y86-H90 WeakPolarHBondContact CE2-NE2 3.42Å; Y86-H90 AromaticContact CG-ND1 3.86Å; Y86-H90 AromaticContact CZ-CD2 3.58Å; Y86-H90 AromaticContact CZ-CG 3.78Å; Y86-H90 AromaticContact CZ-NE2 3.84Å; Y86-H90 WeakPolarHBondContact O-CB 3.5Å; Y86-H90 PolarHBondContact O-N 2.02Å; Y86-H90 PolarHBondContact O-ND1 3.31Å; I87-H90 VanDerWaalsContact O-O 3.13Å; H90-K92 PolarHBondContact O-N 3.22Å; H90-W95 PolarHBondContact O-NE1 2.85Å
91	F	96.4	Very high	95.6	Very high	118 Å²	118	63.9 Å²	63.9	52%	0.518	34%	0.335	S	S	.	.			trans	60	45.2	176.8	-44.3	-76.1	0	0	0	114.4	Y86 G93 F94 W95	Y86-F91 HydrophobicContact CD1-CE2 4.33Å; Y86-F91 AromaticContact CE1-CE2 3.91Å; Y86-F91 HydrophobicContact CE1-CE2 3.91Å; Y86-F91 HydrophobicContact CE1-CZ 4.06Å; F91-G93 PolarHBondContact O-N 2.89Å; F91-F94 HydrophobicContact CB-CB 4.01Å; F91-F94 WeakPolarHBondContact O-CB 3.41Å; F91-F94 PolarHBondContact O-N 3.03Å; F91-W95 PolarHBondContact O-N 3Å; F91-W95 VanDerWaalsContact O-N 3.13Å
92	K	96	Very high	95.7	Very high	131 Å²	131	66.7 Å²	66.7	57%	0.57	36%	0.355	S	S	*	.	H	α-helix	trans	-46.3	-41.4	-179.5	-171.1	175.4	179.9	177	0	114.1	H90 W95 N96	H90-K92 PolarHBondContact O-N 3.22Å; K92-W95 PolarHBondContact O-N 2.88Å; K92-N96 VanDerWaalsContact O-CG 3.23Å; K92-N96 PolarHBondContact O-N 3.14Å; K92-N96 PolarHBondContact O-OD1 3.29Å
93	G	96.9	Very high	96	Very high	47 Å²	47	70.1 Å²	70.1	49%	0.485	37%	0.367	S	S	.	.	H	α-helix	trans	-62.4	-41.5	177.5	0	0	0	0	0	113.8	F91 N96 I97	F91-G93 PolarHBondContact O-N 2.89Å; G93-N96 PolarHBondContact O-N 3.47Å; G93-I97 PolarHBondContact O-N 2.93Å
94	F	96.9	Very high	96.1	Very high	109 Å²	109	69.5 Å²	69.5	48%	0.478	36%	0.36	S	S	.	.	H	α-helix	trans	-62.3	-46.3	173.7	168.2	-99.6	0	0	0	110.9	F91 N96 I97 I98	F91-F94 HydrophobicContact CB-CB 4.01Å; F91-F94 WeakPolarHBondContact O-CB 3.41Å; F91-F94 PolarHBondContact O-N 3.03Å; F94-N96 VanDerWaalsContact C-N 3.33Å; F94-N96 PolarHBondContact O-N 3.36Å; F94-I97 WeakPolarHBondContact O-CB 3.05Å; F94-I97 PolarHBondContact O-N 2.89Å; F94-I97 VanDerWaalsContact O-N 3.17Å; F94-I98 HydrophobicContact CD1-CG1 4.24Å; F94-I98 HydrophobicContact CD2-CG1 4.42Å; F94-I98 HydrophobicContact CE1-CD1 4.45Å; F94-I98 HydrophobicContact CE1-CG1 3.76Å; F94-I98 HydrophobicContact CE2-CD1 4.06Å; F94-I98 HydrophobicContact CE2-CG1 3.96Å; F94-I98 HydrophobicContact CZ-CD1 3.82Å; F94-I98 HydrophobicContact CZ-CG1 3.61Å; F94-I98 WeakPolarHBondContact O-CG1 3.36Å; F94-I98 PolarHBondContact O-N 3.05Å
95	W	97.8	Very high	96.3	Very high	13 Å²	13	69.3 Å²	69.3	5%	0.049	35%	0.354	C	S	.	.	H	α-helix	trans	-65.3	-34.7	178.1	-71.9	114.4	0	0	0	113.3	I87 L88 H90 F91 K92 I97 I98 N99 I108 H352 F353	I87-W95 HydrophobicContact CG2-CZ2 4Å; I87-W95 PolarHBondContact O-NE1 3.46Å; L88-W95 HydrophobicContact CD2-CH2 3.72Å; L88-W95 HydrophobicContact CD2-CZ2 3.65Å; L88-W95 HydrophobicContact CG-CZ2 4.32Å; H90-W95 PolarHBondContact O-NE1 2.85Å; F91-W95 PolarHBondContact O-N 3Å; F91-W95 VanDerWaalsContact O-N 3.13Å; K92-W95 PolarHBondContact O-N 2.88Å; W95-I97 VanDerWaalsContact C-N 3.27Å; W95-I97 PolarHBondContact O-N 2.96Å; W95-I98 HydrophobicContact CE3-CB 4.04Å; W95-I98 HydrophobicContact CE3-CG1 4.38Å; W95-I98 HydrophobicContact CE3-CG2 3.96Å; W95-I98 HydrophobicContact CZ3-CB 4.46Å; W95-I98 HydrophobicContact CZ3-CG2 3.96Å; W95-I98 PolarHBondContact O-N 3.05Å; W95-N99 WeakPolarHBondContact O-CB 3.49Å; W95-N99 PolarHBondContact O-N 3.15Å; W95-N99 PolarHBondContact O-ND2 2.93Å; W95-I108 HydrophobicContact CH2-CD1 4.49Å; W95-I108 HydrophobicContact CZ3-CD1 3.93Å; W95-H352 HydrophobicContact CB-CB 3.77Å; W95-H352 HydrophobicContact CG-CB 3.78Å; W95-F353 HydrophobicContact CD2-CB 4.28Å; W95-F353 HydrophobicContact CE3-CB 3.86Å; W95-F353 AromaticContact CE3-CD2 3.9Å; W95-F353 HydrophobicContact CE3-CD2 3.9Å; W95-F353 HydrophobicContact CE3-CG 4.35Å; W95-F353 HydrophobicContact CH2-CB 4.36Å; W95-F353 HydrophobicContact CZ3-CB 3.91Å; W95-F353 AromaticContact CZ3-CD2 3.66Å; W95-F353 HydrophobicContact CZ3-CD2 3.66Å; W95-F353 HydrophobicContact CZ3-CG 4.11Å
96	N	97.2	Very high	96.5	Very high	88 Å²	88	69.8 Å²	69.8	47%	0.471	36%	0.357	S	S	.	.	H	α-helix	trans	-58.1	-41.3	173.6	-73.3	-16.8	0	0	0	111.7	K92 G93 F94 S100	K92-N96 VanDerWaalsContact O-CG 3.23Å; K92-N96 PolarHBondContact O-N 3.14Å; K92-N96 PolarHBondContact O-OD1 3.29Å; G93-N96 PolarHBondContact O-N 3.47Å; F94-N96 VanDerWaalsContact C-N 3.33Å; F94-N96 PolarHBondContact O-N 3.36Å; N96-S100 WeakPolarHBondContact O-CB 3.49Å; N96-S100 PolarHBondContact O-N 3.38Å; N96-S100 VanDerWaalsContact O-N 3.15Å
97	I	97.1	Very high	96.6	Very high	102 Å²	102	66.6 Å²	66.6	52%	0.523	36%	0.357	S	S	.	.	H	α-helix	trans	-64.3	-52.8	174.5	-63.7	162.1	0	0	0	110	G93 F94 W95 N99 S100 I101	G93-I97 PolarHBondContact O-N 2.93Å; F94-I97 WeakPolarHBondContact O-CB 3.05Å; F94-I97 PolarHBondContact O-N 2.89Å; F94-I97 VanDerWaalsContact O-N 3.17Å; W95-I97 VanDerWaalsContact C-N 3.27Å; W95-I97 PolarHBondContact O-N 2.96Å; I97-N99 VanDerWaalsContact C-N 3.3Å; I97-N99 PolarHBondContact O-N 2.99Å; I97-S100 PolarHBondContact O-N 2.64Å; I97-S100 PolarHBondContact O-OG 2.77Å; I97-I101 HydrophobicContact CG2-CD1 3.88Å; I97-I101 WeakPolarHBondContact O-CG1 3.31Å; I97-I101 PolarHBondContact O-N 2.86Å
98	I	97.1	Very high	96.7	Very high	13 Å²	13	65.3 Å²	65.3	7%	0.067	35%	0.35	C	S	.	.	H	α-helix	trans	-57.1	-43.6	-179.8	-65.7	-64.6	0	0	0	111.9	F94 W95 S100 I101 L104 I108	F94-I98 HydrophobicContact CD1-CG1 4.24Å; F94-I98 HydrophobicContact CD2-CG1 4.42Å; F94-I98 HydrophobicContact CE1-CD1 4.45Å; F94-I98 HydrophobicContact CE1-CG1 3.76Å; F94-I98 HydrophobicContact CE2-CD1 4.06Å; F94-I98 HydrophobicContact CE2-CG1 3.96Å; F94-I98 HydrophobicContact CZ-CD1 3.82Å; F94-I98 HydrophobicContact CZ-CG1 3.61Å; F94-I98 WeakPolarHBondContact O-CG1 3.36Å; F94-I98 PolarHBondContact O-N 3.05Å; W95-I98 HydrophobicContact CE3-CB 4.04Å; W95-I98 HydrophobicContact CE3-CG1 4.38Å; W95-I98 HydrophobicContact CE3-CG2 3.96Å; W95-I98 HydrophobicContact CZ3-CB 4.46Å; W95-I98 HydrophobicContact CZ3-CG2 3.96Å; W95-I98 PolarHBondContact O-N 3.05Å; I98-S100 VanDerWaalsContact C-N 3.26Å; I98-S100 PolarHBondContact O-N 3.16Å; I98-I101 PolarHBondContact O-N 3.48Å; I98-L104 HydrophobicContact CD1-CB 4.5Å; I98-L104 HydrophobicContact CD1-CD1 4.41Å; I98-L104 HydrophobicContact CD1-CD2 4.03Å; I98-L104 HydrophobicContact CG2-CB 4.47Å; I98-I108 HydrophobicContact CG2-CD1 3.58Å
99	N	97.2	Very high	96.8	Very high	20 Å²	20	64.4 Å²	64.4	11%	0.107	35%	0.345	C	S	.	.	H	α-helix	trans	-67.3	-26.6	-180	-69.3	-32.6	0	0	0	112.8	W95 I97 H352 K354	W95-N99 WeakPolarHBondContact O-CB 3.49Å; W95-N99 PolarHBondContact O-N 3.15Å; W95-N99 PolarHBondContact O-ND2 2.93Å; I97-N99 VanDerWaalsContact C-N 3.3Å; I97-N99 PolarHBondContact O-N 2.99Å; N99-H352 PolarHBondContact ND2-O 3.48Å; N99-K354 HydrophobicContact CB-CB 4.47Å; N99-K354 HydrophobicContact CB-CD 4.24Å; N99-K354 HydrophobicContact CB-CG 4.32Å; N99-K354 PolarHBondContact OD1-N 3.15Å
100	S	96.4	Very high	97	Very high	93 Å²	93	65.9 Å²	65.9	65%	0.65	35%	0.349	S	S	*	.	H	α-helix	trans	-79.1	-18.7	176.7	73.4	0	0	0	0	113.3	N96 I97 I98	N96-S100 WeakPolarHBondContact O-CB 3.49Å; N96-S100 PolarHBondContact O-N 3.38Å; N96-S100 VanDerWaalsContact O-N 3.15Å; I97-S100 PolarHBondContact O-N 2.64Å; I97-S100 PolarHBondContact O-OG 2.77Å; I98-S100 VanDerWaalsContact C-N 3.26Å; I98-S100 PolarHBondContact O-N 3.16Å
101	I	97.1	Very high	97.1	Very high	56 Å²	56	70 Å²	70	29%	0.287	36%	0.363	S	S	.	.	S	Bend	trans	-102.6	101.5	-178.6	-54.3	164.7	0	0	0	109.3	I97 I98 F103 L104 R105	I97-I101 HydrophobicContact CG2-CD1 3.88Å; I97-I101 WeakPolarHBondContact O-CG1 3.31Å; I97-I101 PolarHBondContact O-N 2.86Å; I98-I101 PolarHBondContact O-N 3.48Å; I101-F103 HydrophobicContact CG2-CD1 3.4Å; I101-F103 HydrophobicContact CG2-CE1 3.22Å; I101-F103 HydrophobicContact CG2-CG 4.36Å; I101-F103 HydrophobicContact CG2-CZ 4.07Å; I101-F103 PolarHBondContact O-N 3.32Å; I101-L104 HydrophobicContact CB-CB 4.28Å; I101-L104 HydrophobicContact CB-CD1 3.92Å; I101-L104 HydrophobicContact CD1-CD1 3.76Å; I101-L104 HydrophobicContact CG1-CD1 4.46Å; I101-L104 HydrophobicContact CG2-CB 4.3Å; I101-L104 HydrophobicContact CG2-CD1 3.67Å; I101-L104 HydrophobicContact CG2-CG 4.41Å; I101-L104 PolarHBondContact O-N 3.14Å; I101-L104 VanDerWaalsContact O-N 3.11Å; I101-R105 PolarHBondContact O-N 3.06Å
102	S	94.8	Very high	97.2	Very high	81 Å²	81	66 Å²	66	57%	0.566	35%	0.348	S	S	*	.	H	α-helix	trans	-51.1	-50.4	-171.8	54.9	0	0	0	0	113.7	L104 R105 D106	S102-L104 VanDerWaalsContact C-N 3.28Å; S102-L104 PolarHBondContact O-N 3.25Å; S102-R105 PolarHBondContact O-N 3.03Å; S102-D106 VanDerWaalsContact O-CB 3.26Å; S102-D106 WeakPolarHBondContact O-CB 3.06Å; S102-D106 PolarHBondContact O-N 2.9Å
103	F	96.4	Very high	97.3	Very high	144 Å²	144	59.7 Å²	59.7	63%	0.632	32%	0.321	S	S	*	.	H	α-helix	trans	-63.6	-32.4	-176.4	81.6	-94.9	0	0	0	113.2	I101 A107	I101-F103 HydrophobicContact CG2-CD1 3.4Å; I101-F103 HydrophobicContact CG2-CE1 3.22Å; I101-F103 HydrophobicContact CG2-CG 4.36Å; I101-F103 HydrophobicContact CG2-CZ 4.07Å; I101-F103 PolarHBondContact O-N 3.32Å; F103-A107 VanDerWaalsContact O-CB 3.24Å; F103-A107 WeakPolarHBondContact O-CB 3.47Å; F103-A107 PolarHBondContact O-N 2.69Å
104	L	96.9	Very high	97.3	Very high	55 Å²	55	58.6 Å²	58.6	29%	0.288	30%	0.304	S	S	.	.	H	α-helix	trans	-73.2	-47.7	176.7	-88.6	146.4	0	0	0	110.6	I98 I101 S102 D106 A107 I108	I98-L104 HydrophobicContact CD1-CB 4.5Å; I98-L104 HydrophobicContact CD1-CD1 4.41Å; I98-L104 HydrophobicContact CD1-CD2 4.03Å; I98-L104 HydrophobicContact CG2-CB 4.47Å; I101-L104 HydrophobicContact CB-CB 4.28Å; I101-L104 HydrophobicContact CB-CD1 3.92Å; I101-L104 HydrophobicContact CD1-CD1 3.76Å; I101-L104 HydrophobicContact CG1-CD1 4.46Å; I101-L104 HydrophobicContact CG2-CB 4.3Å; I101-L104 HydrophobicContact CG2-CD1 3.67Å; I101-L104 HydrophobicContact CG2-CG 4.41Å; I101-L104 PolarHBondContact O-N 3.14Å; I101-L104 VanDerWaalsContact O-N 3.11Å; S102-L104 VanDerWaalsContact C-N 3.28Å; S102-L104 PolarHBondContact O-N 3.25Å; L104-D106 VanDerWaalsContact C-N 3.3Å; L104-D106 PolarHBondContact O-N 3.5Å; L104-A107 PolarHBondContact O-N 3.39Å; L104-I108 WeakPolarHBondContact O-CG1 3.31Å; L104-I108 PolarHBondContact O-N 3.44Å
105	R	97.9	Very high	97.2	Very high	48 Å²	48	55.1 Å²	55.1	18%	0.181	29%	0.294	C	S	.	.	H	α-helix	trans	-56.8	-46.4	174.9	-177.4	-174.6	175.5	-156.8	-1.9	111.1	I101 S102 I108 M109 F353 K354 L355	I101-R105 PolarHBondContact O-N 3.06Å; S102-R105 PolarHBondContact O-N 3.03Å; R105-I108 PolarHBondContact O-N 3.03Å; R105-M109 WeakPolarHBondContact O-CB 3.2Å; R105-M109 PolarHBondContact O-N 3.43Å; R105-F353 HydrophobicContact CB-CE2 4.37Å; R105-F353 HydrophobicContact CG-CE2 3.82Å; R105-F353 HydrophobicContact CG-CZ 4.02Å; R105-F353 WeakPolarHBondContact O-CZ 3.46Å; R105-K354 PolarHBondContact NE-O 3.14Å; R105-K354 PolarHBondContact NH2-O 2.99Å; R105-L355 PolarHBondContact NH2-O 3.4Å
106	D	97.9	Very high	97.1	Very high	31 Å²	31	56.7 Å²	56.7	17%	0.166	30%	0.3	C	S	.	.	H	α-helix	trans	-67.1	-38.4	-179	-71.2	-9.8	0	0	0	112	S102 L104 K110 K356 L361	S102-D106 VanDerWaalsContact O-CB 3.26Å; S102-D106 WeakPolarHBondContact O-CB 3.06Å; S102-D106 PolarHBondContact O-N 2.9Å; L104-D106 VanDerWaalsContact C-N 3.3Å; L104-D106 PolarHBondContact O-N 3.5Å; D106-K110 WeakPolarHBondContact O-CB 3.37Å; D106-K110 PolarHBondContact O-N 3.15Å; D106-K356 VanDerWaalsContact CG-NZ 3.35Å; D106-K356 WeakPolarHBondContact OD1-CD 3.38Å; D106-K356 IonicContact OD1-NZ 2.81Å; D106-K356 PolarHBondContact OD1-NZ 2.87Å; D106-K356 IonicContact OD2-NZ 3.21Å; D106-K356 PolarHBondContact OD2-NZ 2.84Å; D106-L361 HydrophobicContact CB-CD2 3.67Å
107	A	97.9	Very high	96.9	Very high	56 Å²	56	52.8 Å²	52.8	46%	0.463	28%	0.279	S	S	.	.	H	α-helix	trans	-63.4	-43.5	174.3	0	0	0	0	0	112	F103 L104 Y111	F103-A107 VanDerWaalsContact O-CB 3.24Å; F103-A107 WeakPolarHBondContact O-CB 3.47Å; F103-A107 PolarHBondContact O-N 2.69Å; L104-A107 PolarHBondContact O-N 3.39Å; A107-Y111 PolarHBondContact O-N 2.97Å
108	I	97.9	Very high	96.8	Very high	46 Å²	46	53.7 Å²	53.7	24%	0.236	28%	0.281	C	S	.	.	H	α-helix	trans	-67.3	-47.4	177.6	-65.1	170.5	0	0	0	110.4	W95 I98 L104 R105 K110 Y111 V112 F353	W95-I108 HydrophobicContact CH2-CD1 4.49Å; W95-I108 HydrophobicContact CZ3-CD1 3.93Å; I98-I108 HydrophobicContact CG2-CD1 3.58Å; L104-I108 WeakPolarHBondContact O-CG1 3.31Å; L104-I108 PolarHBondContact O-N 3.44Å; R105-I108 PolarHBondContact O-N 3.03Å; I108-K110 VanDerWaalsContact C-N 3.32Å; I108-K110 PolarHBondContact O-N 3.47Å; I108-Y111 WeakPolarHBondContact O-CB 3.38Å; I108-Y111 PolarHBondContact O-N 2.92Å; I108-Y111 VanDerWaalsContact O-N 3.11Å; I108-V112 HydrophobicContact CG2-CG2 4.46Å; I108-V112 WeakPolarHBondContact O-CG2 3.29Å; I108-V112 PolarHBondContact O-N 3.32Å; I108-F353 HydrophobicContact CB-CE2 3.86Å; I108-F353 HydrophobicContact CB-CZ 3.89Å; I108-F353 HydrophobicContact CD1-CE2 4.34Å; I108-F353 HydrophobicContact CG2-CD1 4.45Å; I108-F353 HydrophobicContact CG2-CD2 4.16Å; I108-F353 HydrophobicContact CG2-CE1 4.04Å; I108-F353 HydrophobicContact CG2-CE2 3.72Å; I108-F353 HydrophobicContact CG2-CZ 3.65Å
109	M	98.1	Very high	96.7	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-60.6	-42.8	178.3	-169.8	66.2	-162	0	0	111.2	R105 Y111 V112 L113 I341 F353 L355 K356 L361	R105-M109 WeakPolarHBondContact O-CB 3.2Å; R105-M109 PolarHBondContact O-N 3.43Å; M109-Y111 VanDerWaalsContact C-N 3.31Å; M109-Y111 PolarHBondContact O-N 2.73Å; M109-V112 WeakPolarHBondContact O-CB 3.09Å; M109-V112 PolarHBondContact O-N 2.89Å; M109-V112 VanDerWaalsContact O-N 3.14Å; M109-L113 HydrophobicContact CE-CD1 4.35Å; M109-L113 HydrophobicContact CE-CD2 3.67Å; M109-L113 HydrophobicContact CE-CG 3.9Å; M109-L113 HydrophobicContact CG-CD1 4.38Å; M109-L113 HydrophobicContact CG-CG 4.45Å; M109-L113 WeakPolarHBondContact O-CG 3.24Å; M109-L113 PolarHBondContact O-N 2.86Å; M109-I341 HydrophobicContact CE-CG2 4.23Å; M109-F353 HydrophobicContact CB-CE1 4.4Å; M109-F353 HydrophobicContact CB-CZ 4.09Å; M109-F353 HydrophobicContact SD-CE1 4.03Å; M109-L355 HydrophobicContact CE-CD2 4.38Å; M109-L355 HydrophobicContact SD-CB 4.37Å; M109-L355 HydrophobicContact SD-CD2 3.9Å; M109-K356 WeakPolarHBondContact CE-O 3.24Å; M109-K356 HydrophobicContact CG-CB 4.24Å; M109-L361 HydrophobicContact CB-CD1 3.89Å; M109-L361 HydrophobicContact CG-CD1 3.87Å
110	K	98.3	Very high	96.7	Very high	60 Å²	60	54.4 Å²	54.4	26%	0.261	28%	0.284	S	S	.	.	H	α-helix	trans	-58.9	-41.2	174.5	-176.1	178.7	-53.2	-176.4	0	112.3	D106 I108 T114 L361	D106-K110 WeakPolarHBondContact O-CB 3.37Å; D106-K110 PolarHBondContact O-N 3.15Å; I108-K110 VanDerWaalsContact C-N 3.32Å; I108-K110 PolarHBondContact O-N 3.47Å; K110-T114 WeakPolarHBondContact O-CB 3.45Å; K110-T114 WeakPolarHBondContact O-CG2 3.43Å; K110-T114 PolarHBondContact O-N 2.87Å; K110-T114 PolarHBondContact O-OG1 3.49Å; K110-L361 HydrophobicContact CB-CB 4.29Å; K110-L361 WeakPolarHBondContact CD-O 3.24Å; K110-L361 WeakPolarHBondContact CE-O 3.11Å; K110-L361 WeakPolarHBondContact CG-O 3.29Å
111	Y	97.3	Very high	96.8	Very high	157 Å²	157	52.5 Å²	52.5	62%	0.616	27%	0.267	S	S	*	.	H	α-helix	trans	-65.1	-43.3	174	176.2	-99.4	0	0	0	111.9	A107 I108 M109 T114 S115	A107-Y111 PolarHBondContact O-N 2.97Å; I108-Y111 WeakPolarHBondContact O-CB 3.38Å; I108-Y111 PolarHBondContact O-N 2.92Å; I108-Y111 VanDerWaalsContact O-N 3.11Å; M109-Y111 VanDerWaalsContact C-N 3.31Å; M109-Y111 PolarHBondContact O-N 2.73Å; Y111-T114 PolarHBondContact O-N 3.11Å; Y111-T114 PolarHBondContact O-OG1 3.26Å; Y111-S115 WeakPolarHBondContact O-CB 3.39Å; Y111-S115 PolarHBondContact O-N 3.09Å; Y111-S115 PolarHBondContact O-OG 3.39Å
112	V	97.4	Very high	96.9	Very high	34 Å²	34	51.6 Å²	51.6	21%	0.206	27%	0.265	C	S	.	.	H	α-helix	trans	-58.3	-51.7	175.6	171.4	0	0	0	0	110.6	I108 M109 T114 S115 R116 L527	I108-V112 HydrophobicContact CG2-CG2 4.46Å; I108-V112 WeakPolarHBondContact O-CG2 3.29Å; I108-V112 PolarHBondContact O-N 3.32Å; M109-V112 WeakPolarHBondContact O-CB 3.09Å; M109-V112 PolarHBondContact O-N 2.89Å; M109-V112 VanDerWaalsContact O-N 3.14Å; V112-T114 PolarHBondContact O-N 3.33Å; V112-S115 PolarHBondContact O-OG 3.41Å; V112-R116 HydrophobicContact CG1-CG 4.32Å; V112-R116 VanDerWaalsContact O-CB 3.27Å; V112-R116 WeakPolarHBondContact O-CB 3.38Å; V112-R116 WeakPolarHBondContact O-CG 3.39Å; V112-R116 PolarHBondContact O-N 2.91Å; V112-L527 HydrophobicContact CG1-CD1 3.98Å
113	L	97.5	Very high	97	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.5	-50.6	179.9	-67.3	177.5	0	0	0	111.8	M109 S117 L362 L527 M531	M109-L113 HydrophobicContact CE-CD1 4.35Å; M109-L113 HydrophobicContact CE-CD2 3.67Å; M109-L113 HydrophobicContact CE-CG 3.9Å; M109-L113 HydrophobicContact CG-CD1 4.38Å; M109-L113 HydrophobicContact CG-CG 4.45Å; M109-L113 WeakPolarHBondContact O-CG 3.24Å; M109-L113 PolarHBondContact O-N 2.86Å; L113-S117 VanDerWaalsContact O-CB 3.27Å; L113-S117 WeakPolarHBondContact O-CB 3.32Å; L113-S117 PolarHBondContact O-N 2.92Å; L113-S117 PolarHBondContact O-OG 3.46Å; L113-L362 HydrophobicContact CB-CD2 3.97Å; L113-L362 HydrophobicContact CD1-CD1 4.22Å; L113-L362 HydrophobicContact CD1-CD2 4.36Å; L113-L362 HydrophobicContact CD1-CG 4.15Å; L113-L527 HydrophobicContact CD2-CD1 4.4Å; L113-L527 HydrophobicContact CD2-CD2 4.07Å; L113-M531 HydrophobicContact CD1-CE 4.37Å; L113-M531 HydrophobicContact CD1-CG 4.41Å; L113-M531 HydrophobicContact CD2-CG 3.72Å
114	T	96.9	Very high	97.1	Very high	23 Å²	23	44.9 Å²	44.9	14%	0.141	23%	0.234	C	C	.	.	H	α-helix	trans	-67.9	-46.6	-177.4	51.2	0	0	0	0	112.7	K110 Y111 V112 R116 H118 L362 K365	K110-T114 WeakPolarHBondContact O-CB 3.45Å; K110-T114 WeakPolarHBondContact O-CG2 3.43Å; K110-T114 PolarHBondContact O-N 2.87Å; K110-T114 PolarHBondContact O-OG1 3.49Å; Y111-T114 PolarHBondContact O-N 3.11Å; Y111-T114 PolarHBondContact O-OG1 3.26Å; V112-T114 PolarHBondContact O-N 3.33Å; T114-R116 PolarHBondContact O-N 3.02Å; T114-H118 WeakPolarHBondContact O-CB 3.06Å; T114-H118 PolarHBondContact O-CD2 3.43Å; T114-H118 PolarHBondContact O-N 3.03Å; T114-H118 VanDerWaalsContact O-N 3.11Å; T114-H118 PolarHBondContact O-ND1 3.23Å; T114-L362 HydrophobicContact CG2-CD2 3.86Å; T114-K365 HydrophobicContact CG2-CB 4.23Å; T114-K365 HydrophobicContact CG2-CD 4.42Å; T114-K365 HydrophobicContact CG2-CG 3.96Å
115	S	95.1	Very high	97.2	Very high	36 Å²	36	43.2 Å²	43.2	25%	0.252	23%	0.226	S	C	.	.	H	α-helix	trans	-63.4	-39.3	-179.2	62.3	0	0	0	0	112.8	Y111 V112	Y111-S115 WeakPolarHBondContact O-CB 3.39Å; Y111-S115 PolarHBondContact O-N 3.09Å; Y111-S115 PolarHBondContact O-OG 3.39Å; V112-S115 PolarHBondContact O-OG 3.41Å
116	R	96.4	Very high	97.2	Very high	47 Å²	47	42 Å²	42	18%	0.177	22%	0.222	C	C	.	.	H	α-helix	trans	-74.4	-45.4	179	-63.9	-62.8	-175.1	-173.4	3.9	111.5	V112 T114 H118 M119 E520 P524 L527	V112-R116 HydrophobicContact CG1-CG 4.32Å; V112-R116 VanDerWaalsContact O-CB 3.27Å; V112-R116 WeakPolarHBondContact O-CB 3.38Å; V112-R116 WeakPolarHBondContact O-CG 3.39Å; V112-R116 PolarHBondContact O-N 2.91Å; T114-R116 PolarHBondContact O-N 3.02Å; R116-H118 VanDerWaalsContact C-N 3.34Å; R116-H118 PolarHBondContact O-N 3.12Å; R116-M119 WeakPolarHBondContact O-CB 3.33Å; R116-M119 PolarHBondContact O-N 3.27Å; R116-E520 IonicContact CZ-OE1 2.73Å; R116-E520 IonicContact CZ-OE2 3.45Å; R116-E520 VanDerWaalsContact NH1-CD 3.33Å; R116-E520 IonicContact NH1-OE1 3.53Å; R116-E520 IonicContact NH1-OE2 3.98Å; R116-E520 PolarHBondContact NH1-OE2 3.41Å; R116-E520 IonicContact NH2-OE1 2.91Å; R116-E520 PolarHBondContact NH2-OE1 2.95Å; R116-E520 IonicContact NH2-OE2 3.24Å; R116-E520 PolarHBondContact NH2-OE2 3.29Å; R116-P524 HydrophobicContact CB-CG 4.46Å; R116-P524 WeakPolarHBondContact O-CB 3.22Å; R116-L527 HydrophobicContact CB-CD1 3.75Å; R116-L527 HydrophobicContact CG-CD1 3.85Å
117	S	93.6	Very high	97.2	Very high	6 Å²	6	40.5 Å²	40.5	4%	0.042	21%	0.214	C	C	.	.	H	α-helix	trans	-69.6	-26.6	-177.9	-61.1	0	0	0	0	114.1	L113 M119 I120	L113-S117 VanDerWaalsContact O-CB 3.27Å; L113-S117 WeakPolarHBondContact O-CB 3.32Å; L113-S117 PolarHBondContact O-N 2.92Å; L113-S117 PolarHBondContact O-OG 3.46Å; S117-M119 PolarHBondContact O-N 2.86Å; S117-M119 VanDerWaalsContact O-N 3.15Å; S117-I120 PolarHBondContact O-N 3.29Å; S117-I120 VanDerWaalsContact O-N 3.12Å
118	H	93.9	Very high	97.2	Very high	120 Å²	120	38.7 Å²	38.7	56%	0.556	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-14.9	173.9	-71.9	173.5	0	0	0	114.1	R39 T114 R116 I120	R39-H118 PolarHBondContact NH1-O 3.04Å; R39-H118 VanDerWaalsContact NH1-O 3.12Å; T114-H118 WeakPolarHBondContact O-CB 3.06Å; T114-H118 PolarHBondContact O-CD2 3.43Å; T114-H118 PolarHBondContact O-N 3.03Å; T114-H118 VanDerWaalsContact O-N 3.11Å; T114-H118 PolarHBondContact O-ND1 3.23Å; R116-H118 VanDerWaalsContact C-N 3.34Å; R116-H118 PolarHBondContact O-N 3.12Å; H118-I120 VanDerWaalsContact C-N 3.31Å
119	M	95.6	Very high	97.2	Very high	27 Å²	27	41.3 Å²	41.3	13%	0.133	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-19.1	176.5	-59.8	-62.7	-75.3	0	0	112.4	R116 S117 R465 F466 P524	R116-M119 WeakPolarHBondContact O-CB 3.33Å; R116-M119 PolarHBondContact O-N 3.27Å; S117-M119 PolarHBondContact O-N 2.86Å; S117-M119 VanDerWaalsContact O-N 3.15Å; M119-R465 VanDerWaalsContact O-CZ 3.31Å; M119-R465 PolarHBondContact O-NH1 2.89Å; M119-R465 PolarHBondContact O-NH2 3.03Å; M119-F466 HydrophobicContact CB-CD1 4.41Å; M119-F466 HydrophobicContact CB-CE1 4.42Å; M119-F466 VanDerWaalsContact CE-C 3.45Å; M119-F466 VanDerWaalsContact CE-CA 3.42Å; M119-F466 HydrophobicContact CE-CB 4.33Å; M119-F466 HydrophobicContact CE-CD1 4.28Å; M119-P524 HydrophobicContact CB-CB 4Å; M119-P524 HydrophobicContact CB-CG 4.08Å; M119-P524 HydrophobicContact CG-CG 4.32Å
120	I	98.1	Very high	97.2	Very high	22 Å²	22	44.3 Å²	44.3	11%	0.113	23%	0.225	C	C	.	.	S	Bend	trans	-97.7	129.7	-178.8	-53.7	-50.8	0	0	0	110.1	S117 H118 S122 F466 P524 F525 K528	S117-I120 PolarHBondContact O-N 3.29Å; S117-I120 VanDerWaalsContact O-N 3.12Å; H118-I120 VanDerWaalsContact C-N 3.31Å; I120-S122 PolarHBondContact O-N 3.38Å; I120-F466 HydrophobicContact CD1-CE1 4.18Å; I120-F466 HydrophobicContact CD1-CZ 4.44Å; I120-P524 HydrophobicContact CD1-CB 3.63Å; I120-P524 HydrophobicContact CG1-CB 3.86Å; I120-F525 HydrophobicContact CD1-CD1 3.4Å; I120-F525 HydrophobicContact CD1-CE1 3.52Å; I120-F525 HydrophobicContact CD1-CG 4.01Å; I120-F525 HydrophobicContact CD1-CZ 4.25Å; I120-F525 HydrophobicContact CG1-CD1 4.25Å; I120-K528 HydrophobicContact CB-CB 4.31Å; I120-K528 HydrophobicContact CB-CG 4.08Å; I120-K528 HydrophobicContact CG1-CB 4.03Å; I120-K528 HydrophobicContact CG1-CG 4.33Å; I120-K528 HydrophobicContact CG2-CG 3.95Å
121	D	98.2	Very high	97.1	Very high	53 Å²	53	43 Å²	43	28%	0.283	23%	0.229	S	C	.	.			trans	-71.1	128.5	177.3	-60	-55.8	0	0	0	110.1	R39 P123 T125 R465	R39-D121 IonicContact CZ-OD1 2.69Å; R39-D121 IonicContact NH2-OD1 3.47Å; R39-D121 PolarHBondContact NH2-OD1 3.26Å; R39-D121 IonicContact NH2-OD2 3.75Å; D121-P123 CarbonylContact C-O 3Å; D121-T125 HydrophobicContact CB-CG2 3.83Å; D121-R465 IonicContact OD1-NH2 3.46Å; D121-R465 IonicContact OD2-CZ 3.2Å; D121-R465 IonicContact OD2-NH2 3.71Å; D121-R465 PolarHBondContact OD2-NH2 2.95Å
122	S	98	Very high	97	Very high	36 Å²	36	42.5 Å²	42.5	25%	0.252	23%	0.227	S	C	.	.	S	Bend	trans	-149.8	110.6	-178.8	-169	0	0	0	0	108.6	I120 Q368 Q370 K528	I120-S122 PolarHBondContact O-N 3.38Å; S122-Q368 WeakPolarHBondContact OG-CB 3.48Å; S122-Q370 WeakPolarHBondContact OG-CG 3.4Å; S122-K528 PolarHBondContact OG-NZ 3.29Å
123	P	98.3	Very high	97	Very high	70 Å²	70	47.2 Å²	47.2	46%	0.455	25%	0.245	S	C	.	.	S	Bend	cis	-60.6	159.1	5.4	-23.2	35	0	0	0	115.3	D121 Y138	D121-P123 CarbonylContact C-O 3Å; P123-Y138 HydrophobicContact CB-CD2 4.05Å; P123-Y138 HydrophobicContact CB-CE2 3.9Å
124	P	98.5	Very high	97	Very high	15 Å²	15	48.7 Å²	48.7	10%	0.097	26%	0.255	C	S	.	.			trans	-63.7	154.6	178.2	27.9	-35	0	0	0	112	Y138 T145 R372	P124-Y138 HydrophobicContact CG-CD2 4.34Å; P124-T145 HydrophobicContact CB-CG2 4.29Å; P124-R372 HydrophobicContact CB-CB 3.77Å; P124-R372 HydrophobicContact CB-CG 3.92Å; P124-R372 HydrophobicContact CG-CB 3.93Å; P124-R372 HydrophobicContact CG-CG 4.12Å
125	T	98.4	Very high	97.1	Very high	19 Å²	19	56.9 Å²	56.9	12%	0.117	28%	0.283	C	S	.	.			trans	-113.1	-68.1	-168.5	46.7	0	0	0	0	113.3	D121	D121-T125 HydrophobicContact CB-CG2 3.83Å
126	Y	98.4	Very high	97.3	Very high	22 Å²	22	58.5 Å²	58.5	9%	0.086	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-108.5	166.7	-172.2	-48.1	-59.2	0	0	0	111.2	Y130 K133 T145 R146 P149	Y126-Y130 WeakPolarHBondContact CB-O 3.38Å; Y126-K133 HydrophobicContact CE1-CG 4.41Å; Y126-T145 CarbonylContact O-C 3.46Å; Y126-T145 VanDerWaalsContact O-CA 3.23Å; Y126-T145 WeakPolarHBondContact O-CA 3.35Å; Y126-T145 WeakPolarHBondContact O-CB 3.47Å; Y126-T145 PolarHBondContact O-OG1 2.73Å; Y126-R146 PolarHBondContact O-N 3.05Å; Y126-P149 HydrophobicContact CD1-CB 4.48Å; Y126-P149 HydrophobicContact CD2-CB 4.37Å; Y126-P149 HydrophobicContact CG-CB 4.34Å
127	N	98.3	Very high	97.3	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.005	28%	0.279	C	S	.	.			trans	-141	-168.5	161.6	68.1	26.3	0	0	0	109.4	D129 Y130 Y143 Y144	N127-D129 VanDerWaalsContact C-N 3.27Å; N127-D129 PolarHBondContact O-N 2.77Å; N127-D129 PolarHBondContact OD1-N 3.46Å; N127-Y130 PolarHBondContact N-O 3.41Å; N127-Y130 VanDerWaalsContact OD1-CD2 3.31Å; N127-Y130 WeakPolarHBondContact OD1-CD2 3.48Å; N127-Y130 PolarHBondContact OD1-N 2.89Å; N127-Y143 HydrophobicContact CB-CD1 3.99Å; N127-Y143 HydrophobicContact CB-CG 4.13Å; N127-Y144 WeakPolarHBondContact CB-O 3.39Å
128	A	97	Very high	97.6	Very high	17 Å²	17	60.5 Å²	60.5	14%	0.14	30%	0.295	C	S	.	.	S	Bend	trans	-66.8	-25.8	-177.5	0	0	0	0	0	114.3	P150 A215 M454	A128-P150 WeakPolarHBondContact O-CG 3.47Å; A128-A215 HydrophobicContact CB-CB 3.36Å; A128-M454 HydrophobicContact CB-CG 4.44Å
129	D	97.4	Very high	97.8	Very high	101 Å²	101	57.2 Å²	57.2	54%	0.54	29%	0.285	S	S	.	.	S	Bend	trans	-99	-28.6	-175.8	-68.9	3.1	0	0	0	111.8	N127 Y143	N127-D129 VanDerWaalsContact C-N 3.27Å; N127-D129 PolarHBondContact O-N 2.77Å; N127-D129 PolarHBondContact OD1-N 3.46Å; D129-Y143 HydrophobicContact CB-CE1 4.5Å; D129-Y143 PolarHBondContact OD2-OH 3.29Å
130	Y	97.9	Very high	97.9	Very high	64 Å²	64	57.9 Å²	57.9	25%	0.251	29%	0.289	S	S	.	.			trans	-112.8	100.9	-177.8	-60.8	-83.8	0	0	0	111.2	Y126 N127 Y132 E136 A137	Y126-Y130 WeakPolarHBondContact CB-O 3.38Å; N127-Y130 PolarHBondContact N-O 3.41Å; N127-Y130 VanDerWaalsContact OD1-CD2 3.31Å; N127-Y130 WeakPolarHBondContact OD1-CD2 3.48Å; N127-Y130 PolarHBondContact OD1-N 2.89Å; Y130-Y132 HydrophobicContact CD1-CE1 4.31Å; Y130-Y132 HydrophobicContact CD1-CE2 4.19Å; Y130-Y132 AromaticContact CD1-CZ 3.8Å; Y130-Y132 PolarHBondContact O-N 2.94Å; Y130-E136 HydrophobicContact CE2-CB 4.11Å; Y130-E136 HydrophobicContact CE2-CG 3.6Å; Y130-A137 HydrophobicContact CD2-CB 4.35Å; Y130-A137 HydrophobicContact CG-CB 4.41Å
131	G	96.4	Very high	98	Very high	34 Å²	34	60.3 Å²	60.3	35%	0.351	30%	0.302	S	S	.	.	S	Bend	trans	-78.2	8.3	170.8	0	0	0	0	0	115
132	Y	95.3	Very high	98	Very high	146 Å²	146	59.3 Å²	59.3	57%	0.573	30%	0.299	S	S	*	.	S	Bend	trans	-136.8	162	177.2	57.6	-88.9	0	0	0	109.3	Y130 S134	Y130-Y132 HydrophobicContact CD1-CE1 4.31Å; Y130-Y132 HydrophobicContact CD1-CE2 4.19Å; Y130-Y132 AromaticContact CD1-CZ 3.8Å; Y130-Y132 PolarHBondContact O-N 2.94Å; Y132-S134 PolarHBondContact O-N 3.46Å
133	K	97.5	Very high	98	Very high	133 Å²	133	58.5 Å²	58.5	58%	0.578	29%	0.291	S	S	*	.			trans	-71.4	125.9	179.7	-61.1	166.9	-169	162.6	0	109.3	Y126	Y126-K133 HydrophobicContact CE1-CG 4.41Å
134	S	98.4	Very high	98	Very high	30 Å²	30	55.2 Å²	55.2	21%	0.21	27%	0.269	C	S	.	.			trans	-140.7	159.9	177	73.9	0	0	0	0	110.6	Y132 E136 A137 Y138	Y132-S134 PolarHBondContact O-N 3.46Å; S134-E136 VanDerWaalsContact C-N 3.27Å; S134-E136 PolarHBondContact O-N 3.31Å; S134-A137 PolarHBondContact O-N 3.48Å; S134-A137 WeakPolarHBondContact OG-CB 3.36Å; S134-A137 PolarHBondContact OG-N 3.46Å; S134-A137 VanDerWaalsContact OG-N 3.08Å; S134-Y138 PolarHBondContact O-N 2.88Å
135	W	98.5	Very high	98.1	Very high	195 Å²	195	55.2 Å²	55.2	74%	0.739	27%	0.269	S	S	*	.	H	α-helix	trans	-62.4	-38.9	174.8	-170	-102.7	0	0	0	111.3	A137 Y138 S139	W135-A137 PolarHBondContact O-N 2.95Å; W135-Y138 HydrophobicContact CD2-CD1 4.34Å; W135-Y138 HydrophobicContact CE3-CD1 4.02Å; W135-Y138 HydrophobicContact CH2-CD1 4.1Å; W135-Y138 AromaticContact CH2-CE1 3.88Å; W135-Y138 HydrophobicContact CH2-CE1 3.88Å; W135-Y138 HydrophobicContact CZ2-CD1 4.39Å; W135-Y138 HydrophobicContact CZ2-CE1 4.33Å; W135-Y138 AromaticContact CZ3-CD1 3.89Å; W135-Y138 HydrophobicContact CZ3-CD1 3.89Å; W135-Y138 HydrophobicContact CZ3-CE1 4.01Å; W135-Y138 WeakPolarHBondContact O-CB 3.47Å; W135-Y138 PolarHBondContact O-N 3.41Å; W135-Y138 VanDerWaalsContact O-N 3.15Å; W135-S139 PolarHBondContact O-N 3.43Å; W135-S139 PolarHBondContact O-OG 3.38Å
136	E	98.4	Very high	98.1	Very high	70 Å²	70	54.4 Å²	54.4	33%	0.327	26%	0.264	S	S	.	.	H	α-helix	trans	-61.6	-45.4	177.8	-179	58.5	-161.7	0	0	112.3	Y130 S134 Y138 S139 N140	Y130-E136 HydrophobicContact CE2-CB 4.11Å; Y130-E136 HydrophobicContact CE2-CG 3.6Å; S134-E136 VanDerWaalsContact C-N 3.27Å; S134-E136 PolarHBondContact O-N 3.31Å; E136-Y138 PolarHBondContact O-N 2.88Å; E136-S139 PolarHBondContact O-N 3.12Å; E136-N140 VanDerWaalsContact O-CB 3.28Å; E136-N140 WeakPolarHBondContact O-CB 3.48Å; E136-N140 PolarHBondContact O-N 3.49Å; E136-N140 VanDerWaalsContact OE1-CB 3.29Å; E136-N140 WeakPolarHBondContact OE1-CB 3.41Å; E136-N140 PolarHBondContact OE1-ND2 3.25Å
137	A	98.3	Very high	98.1	Very high	2 Å²	2	53.6 Å²	53.6	2%	0.017	26%	0.262	C	S	.	.	H	α-helix	trans	-62.3	-32.9	176.4	0	0	0	0	0	112.3	Y130 S134 W135 R372	Y130-A137 HydrophobicContact CD2-CB 4.35Å; Y130-A137 HydrophobicContact CG-CB 4.41Å; S134-A137 PolarHBondContact O-N 3.48Å; S134-A137 WeakPolarHBondContact OG-CB 3.36Å; S134-A137 PolarHBondContact OG-N 3.46Å; S134-A137 VanDerWaalsContact OG-N 3.08Å; W135-A137 PolarHBondContact O-N 2.95Å; A137-R372 PolarHBondContact O-NH1 3.41Å
138	Y	98.6	Very high	98.1	Very high	94 Å²	94	54.6 Å²	54.6	37%	0.369	27%	0.267	S	S	.	.	H	α-helix	trans	-74.2	-53.3	175.2	169	-107.2	0	0	0	112.6	P123 P124 S134 W135 E136 R372	P123-Y138 HydrophobicContact CB-CD2 4.05Å; P123-Y138 HydrophobicContact CB-CE2 3.9Å; P124-Y138 HydrophobicContact CG-CD2 4.34Å; S134-Y138 PolarHBondContact O-N 2.88Å; W135-Y138 HydrophobicContact CD2-CD1 4.34Å; W135-Y138 HydrophobicContact CE3-CD1 4.02Å; W135-Y138 HydrophobicContact CH2-CD1 4.1Å; W135-Y138 AromaticContact CH2-CE1 3.88Å; W135-Y138 HydrophobicContact CH2-CE1 3.88Å; W135-Y138 HydrophobicContact CZ2-CD1 4.39Å; W135-Y138 HydrophobicContact CZ2-CE1 4.33Å; W135-Y138 AromaticContact CZ3-CD1 3.89Å; W135-Y138 HydrophobicContact CZ3-CD1 3.89Å; W135-Y138 HydrophobicContact CZ3-CE1 4.01Å; W135-Y138 WeakPolarHBondContact O-CB 3.47Å; W135-Y138 PolarHBondContact O-N 3.41Å; W135-Y138 VanDerWaalsContact O-N 3.15Å; E136-Y138 PolarHBondContact O-N 2.88Å; Y138-R372 PolarHBondContact O-NH1 3.19Å; Y138-R372 PolarHBondContact O-NH2 2.84Å
139	S	98.4	Very high	98.1	Very high	51 Å²	51	55.5 Å²	55.5	36%	0.357	27%	0.271	S	S	.	.	H	α-helix	trans	-82.9	-28.5	-167.7	60.1	0	0	0	0	114.5	W135 E136 L141	W135-S139 PolarHBondContact O-N 3.43Å; W135-S139 PolarHBondContact O-OG 3.38Å; E136-S139 PolarHBondContact O-N 3.12Å; S139-L141 PolarHBondContact O-N 3.24Å; S139-L141 VanDerWaalsContact O-N 3.15Å
140	N	98.5	Very high	98.2	Very high	41 Å²	41	51.2 Å²	51.2	22%	0.219	25%	0.249	C	C	.	.			trans	-80.7	100.7	-176.7	-169.7	-17.4	0	0	0	111.7	E136 S142 Y143	E136-N140 VanDerWaalsContact O-CB 3.28Å; E136-N140 WeakPolarHBondContact O-CB 3.48Å; E136-N140 PolarHBondContact O-N 3.49Å; E136-N140 VanDerWaalsContact OE1-CB 3.29Å; E136-N140 WeakPolarHBondContact OE1-CB 3.41Å; E136-N140 PolarHBondContact OE1-ND2 3.25Å; N140-S142 PolarHBondContact O-N 2.97Å; N140-S142 VanDerWaalsContact OD1-CB 3.28Å; N140-S142 WeakPolarHBondContact OD1-CB 3.5Å; N140-S142 PolarHBondContact OD1-N 2.83Å; N140-S142 PolarHBondContact OD1-OG 3Å; N140-Y143 HydrophobicContact CB-CD2 3.97Å; N140-Y143 HydrophobicContact CB-CE2 4.38Å; N140-Y143 WeakPolarHBondContact ND2-CE2 3.3Å; N140-Y143 PolarHBondContact O-N 3.3Å
141	L	98.6	Very high	98.1	Very high	73 Å²	73	48.7 Å²	48.7	38%	0.382	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-5.3	179.2	-55.6	-176	0	0	0	113.9	S139 Y143 K220 H222 R372	S139-L141 PolarHBondContact O-N 3.24Å; S139-L141 VanDerWaalsContact O-N 3.15Å; L141-Y143 PolarHBondContact O-N 3.16Å; L141-K220 HydrophobicContact CB-CB 4.35Å; L141-K220 HydrophobicContact CB-CG 4.4Å; L141-H222 PolarHBondContact O-CE1 3.23Å; L141-H222 PolarHBondContact O-NE2 2.82Å; L141-R372 VanDerWaalsContact CD2-CZ 3.45Å
142	S	98.6	Very high	98.1	Very high	31 Å²	31	48.6 Å²	48.6	22%	0.217	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-11	174.5	-54.9	0	0	0	0	111.9	N140 F216 T217 K220	N140-S142 PolarHBondContact O-N 2.97Å; N140-S142 VanDerWaalsContact OD1-CB 3.28Å; N140-S142 WeakPolarHBondContact OD1-CB 3.5Å; N140-S142 PolarHBondContact OD1-N 2.83Å; N140-S142 PolarHBondContact OD1-OG 3Å; S142-F216 CarbonylContact O-C 3.38Å; S142-F216 WeakPolarHBondContact O-CA 3.42Å; S142-F216 WeakPolarHBondContact O-CB 3.37Å; S142-T217 PolarHBondContact O-N 3.09Å; S142-K220 WeakPolarHBondContact OG-CE 3.44Å
143	Y	98.8	Very high	98	Very high	20 Å²	20	45.8 Å²	45.8	8%	0.078	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-93.1	139.2	176	-77.2	-84.3	0	0	0	112.3	N127 D129 N140 L141 F216 H222	N127-Y143 HydrophobicContact CB-CD1 3.99Å; N127-Y143 HydrophobicContact CB-CG 4.13Å; D129-Y143 HydrophobicContact CB-CE1 4.5Å; D129-Y143 PolarHBondContact OD2-OH 3.29Å; N140-Y143 HydrophobicContact CB-CD2 3.97Å; N140-Y143 HydrophobicContact CB-CE2 4.38Å; N140-Y143 WeakPolarHBondContact ND2-CE2 3.3Å; N140-Y143 PolarHBondContact O-N 3.3Å; L141-Y143 PolarHBondContact O-N 3.16Å; Y143-F216 HydrophobicContact CD1-CD1 4.18Å; Y143-F216 AromaticContact CD1-CE1 3.88Å; Y143-F216 HydrophobicContact CD1-CE1 3.88Å; Y143-F216 HydrophobicContact CD1-CZ 4.16Å; Y143-F216 HydrophobicContact CD2-CE1 4.1Å; Y143-F216 HydrophobicContact CE1-CD1 4.1Å; Y143-F216 AromaticContact CE1-CE1 3.36Å; Y143-F216 HydrophobicContact CE1-CE1 3.36Å; Y143-F216 HydrophobicContact CE1-CE2 4.01Å; Y143-F216 AromaticContact CE1-CZ 3.31Å; Y143-F216 HydrophobicContact CE1-CZ 3.31Å; Y143-F216 HydrophobicContact CE2-CD1 4.46Å; Y143-F216 AromaticContact CE2-CE1 3.62Å; Y143-F216 HydrophobicContact CE2-CE1 3.62Å; Y143-F216 HydrophobicContact CE2-CZ 4.21Å; Y143-F216 HydrophobicContact CG-CD1 4.4Å; Y143-F216 HydrophobicContact CG-CE1 4.22Å; Y143-F216 AromaticContact CZ-CE1 3.21Å; Y143-F216 AromaticContact CZ-CZ 3.33Å; Y143-F216 WeakPolarHBondContact OH-CE1 3.18Å; Y143-F216 VanDerWaalsContact OH-CZ 3.23Å; Y143-F216 WeakPolarHBondContact OH-CZ 3.18Å; Y143-H222 PolarHBondContact O-CE1 2.8Å
144	Y	98.9	Very high	97.8	Very high	1 Å²	1	44.2 Å²	44.2	0%	0.004	24%	0.238	C	C	.	.			trans	-65.3	140.2	151.5	-65.7	-60.3	0	0	0	109.8	N127 K207 S208 A215 F216 T217 I373 N378	N127-Y144 WeakPolarHBondContact CB-O 3.39Å; Y144-K207 PolarHBondContact OH-N 3.01Å; Y144-S208 WeakPolarHBondContact CE2-OG 3.47Å; Y144-S208 PolarHBondContact OH-N 2.92Å; Y144-S208 PolarHBondContact OH-OG 3.18Å; Y144-A215 WeakPolarHBondContact CD2-O 3.48Å; Y144-A215 PolarHBondContact N-O 3.1Å; Y144-F216 WeakPolarHBondContact CE2-O 3.15Å; Y144-T217 HydrophobicContact CD1-CG2 4.23Å; Y144-T217 HydrophobicContact CE1-CG2 4.06Å; Y144-T217 PolarHBondContact OH-OG1 3.35Å; Y144-I373 WeakPolarHBondContact CA-O 3.47Å; Y144-I373 HydrophobicContact CD1-CB 3.95Å; Y144-I373 HydrophobicContact CD1-CG2 3.66Å; Y144-I373 HydrophobicContact CE1-CB 4.16Å; Y144-I373 HydrophobicContact CE1-CG2 3.67Å; Y144-N378 PolarHBondContact OH-ND2 3.4Å; Y144-N378 VanDerWaalsContact OH-ND2 3.09Å
145	T	98.9	Very high	97.7	Very high	14 Å²	14	43.7 Å²	43.7	9%	0.086	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-78.9	177.5	169.5	-165.7	0	0	0	0	110.9	P124 Y126 R372 I373 A374 S375	P124-T145 HydrophobicContact CB-CG2 4.29Å; Y126-T145 CarbonylContact O-C 3.46Å; Y126-T145 VanDerWaalsContact O-CA 3.23Å; Y126-T145 WeakPolarHBondContact O-CA 3.35Å; Y126-T145 WeakPolarHBondContact O-CB 3.47Å; Y126-T145 PolarHBondContact O-OG1 2.73Å; T145-R372 HydrophobicContact CG2-CB 3.85Å; T145-R372 HydrophobicContact CG2-CG 3.6Å; T145-R372 WeakPolarHBondContact CG2-O 3.22Å; T145-I373 PolarHBondContact N-O 2.81Å; T145-A374 HydrophobicContact CG2-CB 4.07Å; T145-A374 CarbonylContact O-C 3.28Å; T145-A374 VanDerWaalsContact O-CA 3.26Å; T145-A374 WeakPolarHBondContact O-CA 3.28Å; T145-S375 PolarHBondContact O-N 3.44Å
146	R	98.6	Very high	97.5	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.008	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-136.7	136.9	-178.7	-68.4	-71.8	-61.5	-83	-11	110.8	Y126 L148 E376 M454 Y456 Y462	Y126-R146 PolarHBondContact O-N 3.05Å; R146-L148 WeakPolarHBondContact CB-O 3.5Å; R146-L148 PolarHBondContact NH2-O 2.76Å; R146-E376 WeakPolarHBondContact CA-OE1 3.35Å; R146-E376 WeakPolarHBondContact CA-OE2 3.42Å; R146-E376 WeakPolarHBondContact CD-OE1 3.39Å; R146-E376 IonicContact CZ-OE1 3.4Å; R146-E376 IonicContact NE-OE1 3.67Å; R146-E376 PolarHBondContact NE-OE1 2.69Å; R146-E376 IonicContact NE-OE2 2.71Å; R146-M454 PolarHBondContact NH1-O 2.92Å; R146-Y456 VanDerWaalsContact CZ-CE1 3.47Å; R146-Y462 PolarHBondContact NH2-OH 3Å
147	A	98.1	Very high	97.5	Very high	6 Å²	6	36 Å²	36	5%	0.05	22%	0.216	C	C	.	.	S	Bend	trans	-78.6	-25.9	176.9	0	0	0	0	0	112.7	E376 R465 F466 F525	A147-E376 PolarHBondContact N-OE1 3.29Å; A147-E376 PolarHBondContact N-OE2 3.2Å; A147-R465 PolarHBondContact O-NE 2.81Å; A147-F466 HydrophobicContact CB-CE2 4.3Å; A147-F466 HydrophobicContact CB-CZ 4.32Å; A147-F525 HydrophobicContact CB-CE1 4.49Å; A147-F525 HydrophobicContact CB-CZ 3.97Å
148	L	98.5	Very high	97.4	Very high	22 Å²	22	38.2 Å²	38.2	12%	0.115	23%	0.23	C	C	.	.	S	Bend	trans	-130	144.6	171.2	-72.8	173.6	0	0	0	110.1	R146 Q457 A461 Y462 R465	R146-L148 WeakPolarHBondContact CB-O 3.5Å; R146-L148 PolarHBondContact NH2-O 2.76Å; L148-Q457 HydrophobicContact CB-CG 4.45Å; L148-Q457 HydrophobicContact CD1-CB 4.37Å; L148-A461 HydrophobicContact CD1-CB 4.1Å; L148-Y462 HydrophobicContact CB-CE1 3.8Å; L148-Y462 HydrophobicContact CD1-CD1 3.46Å; L148-Y462 VanDerWaalsContact CD1-CD1 3.46Å; L148-Y462 HydrophobicContact CD1-CD2 4.4Å; L148-Y462 HydrophobicContact CD1-CE1 3.59Å; L148-Y462 HydrophobicContact CD1-CG 3.89Å; L148-Y462 HydrophobicContact CG-CD1 4.05Å; L148-Y462 HydrophobicContact CG-CE1 3.83Å; L148-R465 HydrophobicContact CD1-CB 3.89Å; L148-R465 HydrophobicContact CD1-CG 4.3Å; L148-R465 HydrophobicContact CD2-CB 3.98Å; L148-R465 HydrophobicContact CD2-CG 3.9Å; L148-R465 HydrophobicContact CG-CB 4.04Å; L148-R465 HydrophobicContact CG-CG 3.92Å
149	P	98	Very high	97.4	Very high	35 Å²	35	34.5 Å²	34.5	23%	0.227	22%	0.216	C	C	.	.			trans	-65.3	156.8	177.4	29.8	-35.1	0	0	0	111.4	Y126 V151 Q457	Y126-P149 HydrophobicContact CD1-CB 4.48Å; Y126-P149 HydrophobicContact CD2-CB 4.37Å; Y126-P149 HydrophobicContact CG-CB 4.34Å; P149-V151 PolarHBondContact O-N 3.48Å; P149-Q457 PolarHBondContact O-NE2 3.03Å
150	P	98.2	Very high	97.3	Very high	11 Å²	11	32.1 Å²	32.1	7%	0.071	20%	0.199	C	C	.	.			trans	-82.4	49.3	-162	35.7	-40.5	0	0	0	116.2	A128 R455	A128-P150 WeakPolarHBondContact O-CG 3.47Å; P150-R455 CarbonylContact C-O 3.56Å; P150-R455 WeakPolarHBondContact CA-O 3.26Å; P150-R455 HydrophobicContact CB-CB 4.3Å; P150-R455 WeakPolarHBondContact O-CB 3.44Å; P150-R455 PolarHBondContact O-NE 2.97Å; P150-R455 VanDerWaalsContact O-NE 3.08Å; P150-R455 PolarHBondContact O-NH2 3.46Å; P150-R455 VanDerWaalsContact O-NH2 3.12Å; P150-R455 VanDerWaalsContact O-O 3.09Å
151	V	97.8	Very high	97.2	Very high	12 Å²	12	33.9 Å²	33.9	7%	0.073	21%	0.211	C	C	.	.			trans	51.1	152.7	-170.4	-174.9	0	0	0	0	111.5	P149 C155 R455 Q457	P149-V151 PolarHBondContact O-N 3.48Å; V151-C155 HydrophobicContact CG1-CB 4.31Å; V151-R455 PolarHBondContact N-O 2.84Å; V151-R455 PolarHBondContact O-NH2 2.9Å; V151-Q457 HydrophobicContact CG2-CB 4.41Å; V151-Q457 HydrophobicContact CG2-CG 3.78Å
152	P	95.6	Very high	97.1	Very high	31 Å²	31	32.3 Å²	32.3	20%	0.201	21%	0.205	C	C	.	.			trans	-79.6	141.1	167.3	-23.9	33.1	0	0	0	115.2	N29 D154 C155 R455	N29-P152 HydrophobicContact CB-CB 4.32Å; N29-P152 WeakPolarHBondContact ND2-CB 3.26Å; P152-D154 WeakPolarHBondContact CB-OD1 3.49Å; P152-D154 PolarHBondContact O-N 3.06Å; P152-C155 VanDerWaalsContact CB-SG 3.51Å; P152-C155 WeakPolarHBondContact CD-SG 3.34Å; P152-C155 WeakPolarHBondContact O-CB 3.4Å; P152-C155 PolarHBondContact O-N 2.84Å; P152-C155 PolarHBondContact O-SG 2.86Å; P152-R455 PolarHBondContact O-NH2 2.76Å
153	A	93.4	Very high	97	Very high	88 Å²	88	32.2 Å²	32.2	73%	0.727	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-23.2	-174.4	0	0	0	0	0	113.9
154	D	93.2	Very high	96.9	Very high	99 Å²	99	36.1 Å²	36.1	53%	0.529	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	13.4	-177.9	58.3	-27	0	0	0	113.4	N29 P152	N29-D154 WeakPolarHBondContact CB-OD2 3.27Å; N29-D154 PolarHBondContact ND2-OD1 2.67Å; P152-D154 WeakPolarHBondContact CB-OD1 3.49Å; P152-D154 PolarHBondContact O-N 3.06Å
155	C	95.1	Very high	96.8	Very high	19 Å²	19	44.8 Å²	44.8	13%	0.128	26%	0.264	C	S	.	.			trans	-70.3	147.9	174.3	-64.7	0	0	0	0	112.9	C32 V151 P152 T157 G160	C32-C155 VanDerWaalsContact CA-SG 3.52Å; C32-C155 HydrophobicContact CB-CB 3.89Å; C32-C155 WeakPolarHBondContact CB-SG 3.46Å; C32-C155 WeakPolarHBondContact SG-CA 3.33Å; C32-C155 WeakPolarHBondContact SG-CB 3.5Å; C32-C155 CovalentContact SG-SG 2.03Å; C32-C155 PolarHBondContact SG-SG 3.24Å; V151-C155 HydrophobicContact CG1-CB 4.31Å; P152-C155 VanDerWaalsContact CB-SG 3.51Å; P152-C155 WeakPolarHBondContact CD-SG 3.34Å; P152-C155 WeakPolarHBondContact O-CB 3.4Å; P152-C155 PolarHBondContact O-N 2.84Å; P152-C155 PolarHBondContact O-SG 2.86Å; C155-T157 VanDerWaalsContact C-N 3.27Å; C155-T157 PolarHBondContact O-N 2.73Å; C155-G160 WeakPolarHBondContact CB-O 3.06Å
156	P	95.6	Very high	96.7	Very high	88 Å²	88	51.8 Å²	51.8	57%	0.571	30%	0.296	S	S	*	.	S	Bend	trans	-68.1	-23.7	-178.6	26.8	-35.5	0	0	0	113.8	G160 V161	P156-G160 WeakPolarHBondContact CD-O 3.44Å; P156-G160 WeakPolarHBondContact CG-O 3.31Å; P156-V161 HydrophobicContact CG-CB 4.43Å; P156-V161 HydrophobicContact CG-CG1 4.04Å
157	T	97.4	Very high	96.7	Very high	17 Å²	17	53.3 Å²	53.3	10%	0.104	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-128.2	161	173.1	80.2	0	0	0	0	111.2	C155 M159 G160 V162	C155-T157 VanDerWaalsContact C-N 3.27Å; C155-T157 PolarHBondContact O-N 2.73Å; T157-M159 PolarHBondContact O-N 2.93Å; T157-M159 VanDerWaalsContact O-N 3.08Å; T157-M159 PolarHBondContact OG1-N 3.13Å; T157-G160 PolarHBondContact N-O 2.82Å; T157-G160 PolarHBondContact O-N 3.44Å; T157-G160 VanDerWaalsContact O-N 3.15Å; T157-G160 VanDerWaalsContact OG1-C 3.28Å; T157-G160 PolarHBondContact OG1-N 3.12Å; T157-G160 PolarHBondContact OG1-O 3.23Å; T157-G160 VanDerWaalsContact OG1-O 3.14Å; T157-V162 WeakPolarHBondContact CB-O 3.36Å; T157-V162 WeakPolarHBondContact CG2-O 3.4Å; T157-V162 PolarHBondContact OG1-O 3.41Å
158	P	97.6	Very high	96.7	Very high	47 Å²	47	53.6 Å²	53.6	31%	0.305	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-17.3	174.8	-26.6	37.3	0	0	0	114.5	K165 L167	P158-K165 WeakPolarHBondContact CD-O 3.32Å; P158-L167 HydrophobicContact CB-CD1 3.76Å; P158-L167 HydrophobicContact CB-CD2 4.34Å; P158-L167 HydrophobicContact CB-CG 3.74Å; P158-L167 HydrophobicContact CG-CD1 4.44Å; P158-L167 HydrophobicContact CG-CG 4.02Å
159	M	97.6	Very high	96.7	Very high	17 Å²	17	56.9 Å²	56.9	8%	0.084	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-114.3	31.8	179.6	-67.2	-65.2	168	0	0	111.9	T157 V161 V162 L167 A496 E498	T157-M159 PolarHBondContact O-N 2.93Å; T157-M159 VanDerWaalsContact O-N 3.08Å; T157-M159 PolarHBondContact OG1-N 3.13Å; M159-V161 PolarHBondContact O-N 2.74Å; M159-V162 HydrophobicContact CB-CG2 4.41Å; M159-L167 HydrophobicContact CE-CD1 4.12Å; M159-L167 HydrophobicContact CE-CD2 4.07Å; M159-L167 HydrophobicContact CG-CD2 4.19Å; M159-A496 HydrophobicContact CB-CB 4.32Å; M159-A496 HydrophobicContact CG-CB 4.33Å; M159-E498 HydrophobicContact CE-CB 4.28Å; M159-E498 HydrophobicContact CE-CG 3.34Å
160	G	96.2	Very high	96.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	90	-104.9	-178.5	0	0	0	0	0	111.3	C32 C155 P156 T157	C32-G160 VanDerWaalsContact O-CA 3.24Å; C32-G160 WeakPolarHBondContact O-CA 3.33Å; C155-G160 WeakPolarHBondContact CB-O 3.06Å; P156-G160 WeakPolarHBondContact CD-O 3.44Å; P156-G160 WeakPolarHBondContact CG-O 3.31Å; T157-G160 PolarHBondContact N-O 2.82Å; T157-G160 PolarHBondContact O-N 3.44Å; T157-G160 VanDerWaalsContact O-N 3.15Å; T157-G160 VanDerWaalsContact OG1-C 3.28Å; T157-G160 PolarHBondContact OG1-N 3.12Å; T157-G160 PolarHBondContact OG1-O 3.23Å; T157-G160 VanDerWaalsContact OG1-O 3.14Å
161	V	96.3	Very high	96.7	Very high	78 Å²	78	61.3 Å²	61.3	47%	0.473	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-3.9	-174.9	-57.8	0	0	0	0	114.5	C32 P156 M159	C32-V161 HydrophobicContact CB-CG1 3.87Å; P156-V161 HydrophobicContact CG-CB 4.43Å; P156-V161 HydrophobicContact CG-CG1 4.04Å; M159-V161 PolarHBondContact O-N 2.74Å
162	V	96.2	Very high	96.7	Very high	41 Å²	41	63 Å²	63	25%	0.248	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-111.2	164.3	-175.9	-62	0	0	0	0	112.1	T157 M159 D495 A496	T157-V162 WeakPolarHBondContact CB-O 3.36Å; T157-V162 WeakPolarHBondContact CG2-O 3.4Å; T157-V162 PolarHBondContact OG1-O 3.41Å; M159-V162 HydrophobicContact CB-CG2 4.41Å; V162-D495 HydrophobicContact CG2-CB 4.02Å; V162-A496 HydrophobicContact CG2-CB 4.27Å
163	G	96.3	Very high	96.8	Very high	29 Å²	29	61.6 Å²	61.6	30%	0.299	34%	0.339	S	S	.	.	S	Bend	trans	74.2	-171.9	179.4	0	0	0	0	0	114.2
164	K	96.9	Very high	97	Very high	101 Å²	101	57.4 Å²	57.4	44%	0.439	31%	0.305	S	S	.	.			trans	-75.9	159.3	-178.4	-62.7	180	-174.4	172.2	0	112.1	E166 E489 L490	K164-E166 WeakPolarHBondContact CB-O 3.2Å; K164-E166 PolarHBondContact O-N 3.42Å; K164-E489 PolarHBondContact NZ-O 2.97Å; K164-L490 WeakPolarHBondContact CD-O 3.44Å; K164-L490 WeakPolarHBondContact CE-O 3.22Å; K164-L490 PolarHBondContact NZ-O 2.71Å
165	K	96.6	Very high	97.2	Very high	183 Å²	183	58.3 Å²	58.3	80%	0.796	31%	0.306	S	S	*	.	S	Bend	trans	-61.5	-29.6	175.1	-70.5	-170.7	175.8	-175.6	0	113.2	P158	P158-K165 WeakPolarHBondContact CD-O 3.32Å
166	E	97.3	Very high	97.3	Very high	162 Å²	162	61.4 Å²	61.4	76%	0.757	32%	0.317	S	S	*	.	S	Bend	trans	-122	136	175.8	-65.4	-178.7	-178.8	0	0	108.9	K164	K164-E166 WeakPolarHBondContact CB-O 3.2Å; K164-E166 PolarHBondContact O-N 3.42Å
167	L	98.2	Very high	97.5	Very high	34 Å²	34	57.2 Å²	57.2	18%	0.178	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-69.7	155.4	173.4	-72.3	170.3	0	0	0	110.3	P158 M159 R452 Y491 E498	P158-L167 HydrophobicContact CB-CD1 3.76Å; P158-L167 HydrophobicContact CB-CD2 4.34Å; P158-L167 HydrophobicContact CB-CG 3.74Å; P158-L167 HydrophobicContact CG-CD1 4.44Å; P158-L167 HydrophobicContact CG-CG 4.02Å; M159-L167 HydrophobicContact CE-CD1 4.12Å; M159-L167 HydrophobicContact CE-CD2 4.07Å; M159-L167 HydrophobicContact CG-CD2 4.19Å; L167-R452 HydrophobicContact CD1-CG 3.77Å; L167-Y491 HydrophobicContact CD2-CD1 4.44Å; L167-Y491 HydrophobicContact CD2-CE1 4.04Å; L167-E498 HydrophobicContact CD1-CG 4.38Å; L167-E498 HydrophobicContact CD2-CG 4.32Å
168	P	98.2	Very high	97.5	Very high	12 Å²	12	56.5 Å²	56.5	8%	0.078	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-53	149	178.7	-26.8	35.4	0	0	0	112.9	V170 L173 R452 L490 Y491	P168-V170 PolarHBondContact O-N 3.11Å; P168-L173 HydrophobicContact CB-CD1 4.42Å; P168-R452 PolarHBondContact O-NH1 3.35Å; P168-R452 PolarHBondContact O-NH2 2.82Å; P168-L490 HydrophobicContact CB-CB 4.06Å; P168-L490 HydrophobicContact CB-CD2 4.36Å; P168-L490 HydrophobicContact CG-CB 3.78Å; P168-Y491 HydrophobicContact CG-CD1 3.95Å; P168-Y491 HydrophobicContact CG-CD2 4.1Å; P168-Y491 HydrophobicContact CG-CE1 3.83Å; P168-Y491 HydrophobicContact CG-CE2 4.01Å; P168-Y491 HydrophobicContact CG-CG 4.07Å
169	D	98.5	Very high	97.5	Very high	91 Å²	91	55.8 Å²	55.8	49%	0.487	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-58.4	131.8	170.8	177.6	-89.6	0	0	0	110.4	K171 V172 L173	D169-K171 VanDerWaalsContact C-N 3.32Å; D169-K171 PolarHBondContact O-N 3.01Å; D169-K171 WeakPolarHBondContact OD1-CA 3.41Å; D169-K171 VanDerWaalsContact OD1-CB 3.28Å; D169-K171 WeakPolarHBondContact OD1-CB 3.26Å; D169-K171 PolarHBondContact OD1-N 2.95Å; D169-V172 HydrophobicContact CB-CB 4.12Å; D169-V172 HydrophobicContact CB-CG2 3.9Å; D169-V172 PolarHBondContact O-N 3.16Å; D169-V172 PolarHBondContact OD1-N 2.98Å; D169-L173 WeakPolarHBondContact O-CB 3.43Å; D169-L173 PolarHBondContact O-N 2.91Å
170	V	98.3	Very high	97.6	Very high	12 Å²	12	56.1 Å²	56.1	7%	0.073	28%	0.28	C	S	.	.	H	α-helix	trans	-67.8	-34.6	-172	-175.4	0	0	0	0	111.6	P168 L173 A174 I445 I448 E449	P168-V170 PolarHBondContact O-N 3.11Å; V170-L173 PolarHBondContact O-N 3.29Å; V170-A174 WeakPolarHBondContact O-CB 3.41Å; V170-A174 PolarHBondContact O-N 3.49Å; V170-I445 HydrophobicContact CB-CG2 4.45Å; V170-I445 HydrophobicContact CG1-CB 4.11Å; V170-I445 HydrophobicContact CG1-CG1 4.31Å; V170-I445 HydrophobicContact CG1-CG2 3.73Å; V170-I448 HydrophobicContact CB-CG2 4.44Å; V170-I448 HydrophobicContact CG1-CB 3.65Å; V170-I448 HydrophobicContact CG1-CD1 3.73Å; V170-I448 HydrophobicContact CG1-CG1 4.28Å; V170-I448 HydrophobicContact CG1-CG2 3.78Å; V170-I448 HydrophobicContact CG2-CG2 3.87Å; V170-E449 HydrophobicContact CG1-CG 4.43Å; V170-E449 HydrophobicContact CG2-CG 4.17Å
171	K	98	Very high	97.6	Very high	126 Å²	126	63.5 Å²	63.5	55%	0.548	31%	0.308	S	S	.	.	H	α-helix	trans	-70.4	-44.8	178.6	-59.8	179.4	179.2	177.3	0	110.1	D169 L173 A174 E175 I445	D169-K171 VanDerWaalsContact C-N 3.32Å; D169-K171 PolarHBondContact O-N 3.01Å; D169-K171 WeakPolarHBondContact OD1-CA 3.41Å; D169-K171 VanDerWaalsContact OD1-CB 3.28Å; D169-K171 WeakPolarHBondContact OD1-CB 3.26Å; D169-K171 PolarHBondContact OD1-N 2.95Å; K171-L173 VanDerWaalsContact C-N 3.27Å; K171-L173 PolarHBondContact O-N 2.66Å; K171-A174 PolarHBondContact O-N 3.08Å; K171-E175 WeakPolarHBondContact O-CB 3.25Å; K171-E175 VanDerWaalsContact O-CG 3.29Å; K171-E175 WeakPolarHBondContact O-CG 3.41Å; K171-E175 PolarHBondContact O-N 2.9Å; K171-I445 HydrophobicContact CG-CD1 4.4Å
172	V	98.2	Very high	97.7	Very high	49 Å²	49	69.1 Å²	69.1	30%	0.297	32%	0.321	S	S	.	.	H	α-helix	trans	-57.4	-43.6	175	176	0	0	0	0	110.8	D169 K176 L490	D169-V172 HydrophobicContact CB-CB 4.12Å; D169-V172 HydrophobicContact CB-CG2 3.9Å; D169-V172 PolarHBondContact O-N 3.16Å; D169-V172 PolarHBondContact OD1-N 2.98Å; V172-K176 HydrophobicContact CG1-CD 3.88Å; V172-K176 HydrophobicContact CG1-CG 4.39Å; V172-K176 WeakPolarHBondContact O-CB 3.34Å; V172-K176 WeakPolarHBondContact O-CG 3.37Å; V172-K176 PolarHBondContact O-N 3.5Å; V172-L490 HydrophobicContact CG1-CD2 4.14Å
173	L	97.5	Very high	97.8	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-62.1	-49.1	176.7	-167	149.1	0	0	0	111.4	P168 D169 V170 K171 E175 L177 L178 I448 Y491 P501	P168-L173 HydrophobicContact CB-CD1 4.42Å; D169-L173 WeakPolarHBondContact O-CB 3.43Å; D169-L173 PolarHBondContact O-N 2.91Å; V170-L173 PolarHBondContact O-N 3.29Å; K171-L173 VanDerWaalsContact C-N 3.27Å; K171-L173 PolarHBondContact O-N 2.66Å; L173-E175 PolarHBondContact O-N 2.69Å; L173-L177 HydrophobicContact CG-CD1 4.23Å; L173-L177 WeakPolarHBondContact O-CB 3.21Å; L173-L177 PolarHBondContact O-N 2.94Å; L173-L178 HydrophobicContact CD2-CD1 4.07Å; L173-L178 HydrophobicContact CD2-CG 4.21Å; L173-I448 HydrophobicContact CD2-CD1 3.78Å; L173-Y491 HydrophobicContact CD1-CE2 3.78Å; L173-Y491 WeakPolarHBondContact CD1-OH 3.42Å; L173-P501 HydrophobicContact CD1-CB 4.17Å; L173-P501 HydrophobicContact CD1-CG 4.25Å; L173-P501 HydrophobicContact CD2-CB 3.49Å; L173-P501 VanDerWaalsContact CD2-CB 3.49Å; L173-P501 HydrophobicContact CD2-CG 4.28Å; L173-P501 HydrophobicContact CG-CB 4.44Å
174	A	97.8	Very high	97.9	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	32%	0.317	C	S	.	.	I	π-helix	trans	-62.5	-43.1	-179.5	0	0	0	0	0	112.3	V170 K171 L178 V179 L441 I445	V170-A174 WeakPolarHBondContact O-CB 3.41Å; V170-A174 PolarHBondContact O-N 3.49Å; K171-A174 PolarHBondContact O-N 3.08Å; A174-L178 HydrophobicContact CB-CD1 4.48Å; A174-L178 CarbonylContact O-C 3.57Å; A174-L178 WeakPolarHBondContact O-CA 3.08Å; A174-L178 WeakPolarHBondContact O-CB 3.41Å; A174-L178 PolarHBondContact O-N 3.15Å; A174-V179 PolarHBondContact O-N 2.7Å; A174-L441 HydrophobicContact CB-CD1 4.07Å; A174-L441 HydrophobicContact CB-CD2 4.41Å; A174-L441 HydrophobicContact CB-CG 4.26Å; A174-I445 HydrophobicContact CB-CD1 4.13Å; A174-I445 HydrophobicContact CB-CG1 3.61Å
175	E	97.4	Very high	98	Very high	118 Å²	118	69 Å²	69	55%	0.551	32%	0.317	S	S	*	.	I	π-helix	trans	-70	-39.2	180	-72.1	172.1	-173.9	0	0	113	K171 L173 V179	K171-E175 WeakPolarHBondContact O-CB 3.25Å; K171-E175 VanDerWaalsContact O-CG 3.29Å; K171-E175 WeakPolarHBondContact O-CG 3.41Å; K171-E175 PolarHBondContact O-N 2.9Å; L173-E175 PolarHBondContact O-N 2.69Å; E175-V179 WeakPolarHBondContact O-CG1 3.4Å
176	K	97.9	Very high	98.1	Very high	85 Å²	85	60.6 Å²	60.6	37%	0.37	28%	0.281	S	S	.	.	I	π-helix	trans	-80.3	-33.9	-178.2	-72.2	-174.3	175.1	-121.5	0	113.2	V172 R434 I486	V172-K176 HydrophobicContact CG1-CD 3.88Å; V172-K176 HydrophobicContact CG1-CG 4.39Å; V172-K176 WeakPolarHBondContact O-CB 3.34Å; V172-K176 WeakPolarHBondContact O-CG 3.37Å; V172-K176 PolarHBondContact O-N 3.5Å; K176-R434 PolarHBondContact O-NE 2.74Å; K176-I486 HydrophobicContact CB-CG2 4.11Å; K176-I486 HydrophobicContact CD-CG2 3.96Å
177	L	98.2	Very high	98.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	26%	0.264	C	S	.	.	I	π-helix	trans	-120.5	-24.9	-166.4	-62	173.7	0	0	0	115.1	L173 R434 M483 I486 L487 V505	L173-L177 HydrophobicContact CG-CD1 4.23Å; L173-L177 WeakPolarHBondContact O-CB 3.21Å; L173-L177 PolarHBondContact O-N 2.94Å; L177-R434 WeakPolarHBondContact O-CG 3.16Å; L177-R434 PolarHBondContact O-N 2.8Å; L177-M483 HydrophobicContact CD2-CB 4.08Å; L177-M483 HydrophobicContact CD2-CG 4.04Å; L177-I486 HydrophobicContact CD1-CG2 4.36Å; L177-I486 HydrophobicContact CD2-CB 4.25Å; L177-I486 HydrophobicContact CD2-CD1 4.5Å; L177-I486 HydrophobicContact CD2-CG2 3.92Å; L177-I486 HydrophobicContact CG-CG2 4.15Å; L177-L487 HydrophobicContact CD1-CD2 3.42Å; L177-L487 VanDerWaalsContact CD1-CD2 3.42Å; L177-L487 HydrophobicContact CD1-CG 3.71Å; L177-L487 HydrophobicContact CD2-CG 4.43Å; L177-V505 HydrophobicContact CB-CG1 4.02Å
178	L	98.5	Very high	98	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.01	27%	0.265	C	S	.	.	I	π-helix	trans	-110.6	-40.4	-170.4	-55.5	-173.7	0	0	0	114	L173 A174 R434 N435 V436 L441 A444 I448 L504 V505	L173-L178 HydrophobicContact CD2-CD1 4.07Å; L173-L178 HydrophobicContact CD2-CG 4.21Å; A174-L178 HydrophobicContact CB-CD1 4.48Å; A174-L178 CarbonylContact O-C 3.57Å; A174-L178 WeakPolarHBondContact O-CA 3.08Å; A174-L178 WeakPolarHBondContact O-CB 3.41Å; A174-L178 PolarHBondContact O-N 3.15Å; L178-R434 CarbonylContact O-C 3.57Å; L178-R434 WeakPolarHBondContact O-CA 3.34Å; L178-N435 PolarHBondContact O-N 3.38Å; L178-V436 HydrophobicContact CB-CG2 4.16Å; L178-V436 WeakPolarHBondContact O-CB 3.31Å; L178-V436 PolarHBondContact O-N 3.18Å; L178-L441 HydrophobicContact CB-CD1 4.28Å; L178-A444 HydrophobicContact CD1-CB 4.19Å; L178-I448 HydrophobicContact CD1-CD1 4.03Å; L178-L504 HydrophobicContact CD1-CD1 4.27Å; L178-L504 HydrophobicContact CD2-CB 3.84Å; L178-L504 HydrophobicContact CD2-CD1 3.89Å; L178-V505 HydrophobicContact CD2-CG1 4.14Å
179	V	98.4	Very high	97.9	Very high	31 Å²	31	56.8 Å²	56.8	19%	0.188	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-61	137.2	-174.8	72.1	0	0	0	0	112	A174 E175 R181 R434 V436 L441	A174-V179 PolarHBondContact O-N 2.7Å; E175-V179 WeakPolarHBondContact O-CG1 3.4Å; V179-R181 PolarHBondContact O-N 2.75Å; V179-R434 CarbonylContact O-C 2.96Å; V179-R434 VanDerWaalsContact O-CA 3.29Å; V179-R434 WeakPolarHBondContact O-CA 3.42Å; V179-V436 CarbonylContact C-O 3.6Å; V179-L441 HydrophobicContact CB-CD1 3.92Å; V179-L441 HydrophobicContact CB-CD2 3.82Å; V179-L441 HydrophobicContact CB-CG 4.49Å; V179-L441 HydrophobicContact CG2-CD1 4.34Å; V179-L441 HydrophobicContact CG2-CD2 3.82Å
180	R	98.6	Very high	97.9	Very high	25 Å²	25	52.4 Å²	52.4	9%	0.094	25%	0.249	C	C	.	.			trans	-66.3	125.8	177.2	-175.1	177.5	-72.1	160.3	5.2	110.4	R182 F183 P385 M387 P388 D389 R434 N435 V436	R180-R182 VanDerWaalsContact CG-O 3.31Å; R180-R182 WeakPolarHBondContact CG-O 3.29Å; R180-F183 VanDerWaalsContact CZ-CD2 3.49Å; R180-P385 PolarHBondContact NH2-O 3.06Å; R180-M387 VanDerWaalsContact CZ-O 3.29Å; R180-M387 PolarHBondContact NH1-O 3.19Å; R180-M387 PolarHBondContact NH2-O 3.1Å; R180-P388 VanDerWaalsContact NH1-C 3.28Å; R180-P388 PolarHBondContact NH1-O 2.7Å; R180-D389 WeakPolarHBondContact CD-OD1 3.07Å; R180-D389 IonicContact CZ-OD1 2.8Å; R180-D389 IonicContact NE-OD1 2.85Å; R180-D389 IonicContact NH1-OD1 3.88Å; R180-D389 PolarHBondContact NH1-OD1 2.7Å; R180-R434 WeakPolarHBondContact CA-O 3.4Å; R180-N435 PolarHBondContact NE-O 3.27Å; R180-N435 VanDerWaalsContact NE-O 3.14Å; R180-N435 PolarHBondContact NE-OD1 3.43Å; R180-N435 PolarHBondContact NH2-O 2.97Å; R180-V436 VanDerWaalsContact CB-O 3.28Å; R180-V436 WeakPolarHBondContact CB-O 3.29Å; R180-V436 PolarHBondContact N-O 2.92Å
181	R	96.2	Very high	97.9	Very high	154 Å²	154	51.9 Å²	51.9	58%	0.581	25%	0.246	S	C	*	.	S	Bend	trans	-97.6	-37.2	168.9	-61.2	-175.7	-177.8	176.7	1.6	112	V179	V179-R181 PolarHBondContact O-N 2.75Å
182	R	97.8	Very high	97.9	Very high	197 Å²	197	45.9 Å²	45.9	74%	0.743	22%	0.22	S	C	*	.	S	Bend	trans	-144.4	145.5	174.3	60.1	-178.7	176.8	-173.2	-1.6	107.5	R180 I184	R180-R182 VanDerWaalsContact CG-O 3.31Å; R180-R182 WeakPolarHBondContact CG-O 3.29Å; R182-I184 HydrophobicContact CG-CG1 4.48Å; R182-I184 PolarHBondContact O-N 3.4Å
183	F	98.6	Very high	98	Very high	64 Å²	64	43.5 Å²	43.5	28%	0.281	21%	0.206	S	C	.	.			trans	-60.7	123.5	173.8	-175.3	-114.4	0	0	0	110.2	R180 P185	R180-F183 VanDerWaalsContact CZ-CD2 3.49Å; F183-P185 HydrophobicContact CD1-CB 4.3Å; F183-P185 HydrophobicContact CE1-CB 3.79Å; F183-P185 WeakPolarHBondContact O-CD 3.16Å
184	I	98.6	Very high	98	Very high	36 Å²	36	43.5 Å²	43.5	19%	0.185	21%	0.206	C	C	.	.			trans	-105.3	101.8	172.3	-53	176.3	0	0	0	106.2	R182 G428 R429 N435	R182-I184 HydrophobicContact CG-CG1 4.48Å; R182-I184 PolarHBondContact O-N 3.4Å; I184-G428 CarbonylContact O-C 3.53Å; I184-G428 WeakPolarHBondContact O-CA 3.35Å; I184-R429 HydrophobicContact CG2-CB 4.16Å; I184-R429 PolarHBondContact O-N 3.36Å; I184-N435 HydrophobicContact CD1-CB 4.43Å; I184-N435 PolarHBondContact N-OD1 3.24Å; I184-N435 VanDerWaalsContact N-OD1 3.09Å; I184-N435 PolarHBondContact O-ND2 3.5Å
185	P	98.5	Very high	98.1	Very high	68 Å²	68	43.6 Å²	43.6	44%	0.442	21%	0.207	S	C	.	.	B	Isolated β-bridge	trans	-63.8	149.4	178.2	26.9	-33.8	0	0	0	110.2	F183 P187 T426	F183-P185 HydrophobicContact CD1-CB 4.3Å; F183-P185 HydrophobicContact CE1-CB 3.79Å; F183-P185 WeakPolarHBondContact O-CD 3.16Å; P185-P187 WeakPolarHBondContact O-CD 3.42Å; P185-T426 HydrophobicContact CB-CG2 3.81Å
186	D	98.4	Very high	98.1	Very high	6 Å²	6	38 Å²	38	3%	0.032	18%	0.181	C	C	.	.			trans	-66.4	123.6	172.8	170.3	49.8	0	0	0	111.1	Q188 G189 T190 A427 I513	D186-Q188 PolarHBondContact O-N 3.18Å; D186-Q188 PolarHBondContact OD1-N 2.96Å; D186-Q188 WeakPolarHBondContact OD2-CA 3.28Å; D186-Q188 VanDerWaalsContact OD2-CB 3.31Å; D186-Q188 WeakPolarHBondContact OD2-CB 3.39Å; D186-Q188 PolarHBondContact OD2-N 3.44Å; D186-G189 PolarHBondContact O-N 3.07Å; D186-G189 PolarHBondContact OD2-N 3.34Å; D186-T190 WeakPolarHBondContact OD2-CB 3.23Å; D186-T190 PolarHBondContact OD2-N 2.7Å; D186-T190 PolarHBondContact OD2-OG1 2.8Å; D186-A427 WeakPolarHBondContact CB-O 3.38Å; D186-A427 PolarHBondContact N-O 2.78Å; D186-I513 HydrophobicContact CB-CG1 4.47Å; D186-I513 VanDerWaalsContact OD1-CA 3.29Å; D186-I513 WeakPolarHBondContact OD1-CA 3.47Å; D186-I513 WeakPolarHBondContact OD1-CB 3.05Å; D186-I513 WeakPolarHBondContact OD1-CG1 3.18Å
187	P	97.4	Very high	98.2	Very high	64 Å²	64	34.1 Å²	34.1	42%	0.416	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-15.5	-179.8	28.4	-38.2	0	0	0	114.4	P185 G189	P185-P187 WeakPolarHBondContact O-CD 3.42Å; P187-G189 PolarHBondContact O-N 3.03Å
188	Q	95.9	Very high	98.2	Very high	41 Å²	41	34.3 Å²	34.3	19%	0.192	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-0.1	172.8	-60.7	178.5	-118.9	0	0	112.6	D186 T190 H347 L348 N511 I513	D186-Q188 PolarHBondContact O-N 3.18Å; D186-Q188 PolarHBondContact OD1-N 2.96Å; D186-Q188 WeakPolarHBondContact OD2-CA 3.28Å; D186-Q188 VanDerWaalsContact OD2-CB 3.31Å; D186-Q188 WeakPolarHBondContact OD2-CB 3.39Å; D186-Q188 PolarHBondContact OD2-N 3.44Å; Q188-T190 VanDerWaalsContact C-N 3.33Å; Q188-H347 PolarHBondContact NE2-O 3.08Å; Q188-H347 VanDerWaalsContact NE2-O 3.12Å; Q188-L348 PolarHBondContact NE2-O 3.24Å; Q188-N511 WeakPolarHBondContact CG-O 3.36Å; Q188-I513 VanDerWaalsContact OE1-CG2 3.27Å
189	G	97.1	Very high	98.2	Very high	23 Å²	23	36.3 Å²	36.3	24%	0.237	18%	0.175	C	C	.	.			trans	72.1	25.3	-179.7	0	0	0	0	0	113.1	D186 P187 S191 Y578 V579	D186-G189 PolarHBondContact O-N 3.07Å; D186-G189 PolarHBondContact OD2-N 3.34Å; P187-G189 PolarHBondContact O-N 3.03Å; G189-S191 PolarHBondContact O-N 2.95Å; G189-Y578 CarbonylContact O-C 3.59Å; G189-Y578 WeakPolarHBondContact O-CA 3.38Å; G189-V579 PolarHBondContact O-N 2.98Å
190	T	98.6	Very high	98.2	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-53.6	134	177.5	-61.5	0	0	0	0	111.7	D186 Q188 F194 H347 L386 A427 F577	D186-T190 WeakPolarHBondContact OD2-CB 3.23Å; D186-T190 PolarHBondContact OD2-N 2.7Å; D186-T190 PolarHBondContact OD2-OG1 2.8Å; Q188-T190 VanDerWaalsContact C-N 3.33Å; T190-F194 HydrophobicContact CG2-CB 3.61Å; T190-F194 HydrophobicContact CG2-CD1 3.21Å; T190-F194 HydrophobicContact CG2-CD2 4.38Å; T190-F194 HydrophobicContact CG2-CE1 3.94Å; T190-F194 HydrophobicContact CG2-CG 3.48Å; T190-F194 VanDerWaalsContact CG2-CG 3.48Å; T190-H347 WeakPolarHBondContact CA-NE2 3.43Å; T190-H347 PolarHBondContact OG1-NE2 3.12Å; T190-L386 HydrophobicContact CG2-CD2 4.2Å; T190-A427 HydrophobicContact CG2-CB 3.92Å; T190-A427 WeakPolarHBondContact O-CB 3.41Å; T190-A427 PolarHBondContact O-N 3.15Å; T190-F577 WeakPolarHBondContact CA-O 3.4Å
191	S	98.6	Very high	98.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-92.6	166.4	178.5	70.1	0	0	0	0	112.8	G189 M193 F194 A195 F422 T423 Q425 S576 F577	G189-S191 PolarHBondContact O-N 2.95Å; S191-M193 PolarHBondContact O-N 3.46Å; S191-M193 WeakPolarHBondContact OG-CB 3.31Å; S191-M193 PolarHBondContact OG-N 3.49Å; S191-F194 WeakPolarHBondContact O-CB 3.17Å; S191-F194 PolarHBondContact O-N 3.14Å; S191-F194 PolarHBondContact OG-N 3.04Å; S191-A195 PolarHBondContact O-N 3.4Å; S191-F422 WeakPolarHBondContact CB-O 3.5Å; S191-T423 VanDerWaalsContact CB-O 3.32Å; S191-T423 WeakPolarHBondContact CB-O 3.36Å; S191-Q425 CarbonylContact C-O 3.52Å; S191-Q425 WeakPolarHBondContact CA-O 3.37Å; S191-S576 PolarHBondContact OG-O 2.81Å; S191-F577 PolarHBondContact N-O 2.81Å; S191-F577 PolarHBondContact OG-O 2.66Å
192	L	98.6	Very high	98.4	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-67.6	-23.1	169.9	-67.7	-168.4	0	0	0	113	F194 A195 F196 P388 F391 F422 Q425 A427	L192-F194 PolarHBondContact O-N 2.7Å; L192-A195 HydrophobicContact CD2-CB 4.26Å; L192-A195 PolarHBondContact O-N 3.4Å; L192-A195 VanDerWaalsContact O-N 3.1Å; L192-F196 HydrophobicContact CB-CD2 4.4Å; L192-F196 HydrophobicContact CB-CE2 4.36Å; L192-F196 WeakPolarHBondContact O-CD2 3.47Å; L192-F196 PolarHBondContact O-N 2.98Å; L192-P388 HydrophobicContact CD1-CG 3.87Å; L192-P388 HydrophobicContact CD2-CG 4.24Å; L192-F391 HydrophobicContact CD1-CD1 4.18Å; L192-F422 CarbonylContact C-O 3.47Å; L192-F422 WeakPolarHBondContact CA-O 3.33Å; L192-F422 HydrophobicContact CB-CB 4.01Å; L192-F422 HydrophobicContact CB-CD1 4.2Å; L192-F422 HydrophobicContact CB-CG 4.36Å; L192-F422 HydrophobicContact CD1-CD1 4.23Å; L192-F422 PolarHBondContact N-O 3.15Å; L192-Q425 HydrophobicContact CD1-CB 3.93Å; L192-Q425 HydrophobicContact CD1-CG 3.76Å; L192-Q425 HydrophobicContact CG-CB 3.99Å; L192-Q425 HydrophobicContact CG-CG 4.02Å; L192-Q425 PolarHBondContact N-O 3.21Å; L192-A427 HydrophobicContact CD2-CB 4.1Å
193	M	98.4	Very high	98.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-57.1	-42	170.6	-167.4	61.5	177.8	0	0	110.1	S191 F197 M296 Y297 V419 F422 L560 V564 S576	S191-M193 PolarHBondContact O-N 3.46Å; S191-M193 WeakPolarHBondContact OG-CB 3.31Å; S191-M193 PolarHBondContact OG-N 3.49Å; M193-F197 WeakPolarHBondContact O-CB 3.42Å; M193-F197 PolarHBondContact O-N 2.83Å; M193-M296 HydrophobicContact CE-CE 4.13Å; M193-M296 HydrophobicContact SD-CE 3.62Å; M193-Y297 HydrophobicContact CE-CE1 3.74Å; M193-Y297 HydrophobicContact CE-CE2 4.48Å; M193-Y297 WeakPolarHBondContact CE-OH 3.15Å; M193-Y297 VanDerWaalsContact CG-OH 3.29Å; M193-Y297 WeakPolarHBondContact CG-OH 3.38Å; M193-Y297 PolarHBondContact O-OH 2.82Å; M193-Y297 HydrophobicContact SD-CE1 4.5Å; M193-Y297 HydrophobicContact SD-CE2 4.22Å; M193-Y297 PolarHBondContact SD-OH 3.06Å; M193-V419 HydrophobicContact CE-CG1 4.01Å; M193-V419 HydrophobicContact CE-CG2 4Å; M193-V419 HydrophobicContact SD-CG1 4.34Å; M193-V419 HydrophobicContact SD-CG2 4.46Å; M193-F422 HydrophobicContact CB-CB 4.4Å; M193-F422 PolarHBondContact N-O 2.87Å; M193-L560 HydrophobicContact CE-CD1 4.15Å; M193-L560 HydrophobicContact CG-CD2 4.42Å; M193-V564 HydrophobicContact CE-CG2 3.97Å; M193-S576 WeakPolarHBondContact CB-O 3.27Å
194	F	98.8	Very high	98.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-65	-44.6	172.1	174.2	-84.4	0	0	0	112.3	T190 S191 L192 F196 F197 A198 Y344 H347 L348 W383 L386 F577	T190-F194 HydrophobicContact CG2-CB 3.61Å; T190-F194 HydrophobicContact CG2-CD1 3.21Å; T190-F194 HydrophobicContact CG2-CD2 4.38Å; T190-F194 HydrophobicContact CG2-CE1 3.94Å; T190-F194 HydrophobicContact CG2-CG 3.48Å; T190-F194 VanDerWaalsContact CG2-CG 3.48Å; S191-F194 WeakPolarHBondContact O-CB 3.17Å; S191-F194 PolarHBondContact O-N 3.14Å; S191-F194 PolarHBondContact OG-N 3.04Å; L192-F194 PolarHBondContact O-N 2.7Å; F194-F196 PolarHBondContact O-N 2.87Å; F194-F197 WeakPolarHBondContact O-CB 3.46Å; F194-F197 PolarHBondContact O-N 3.38Å; F194-A198 WeakPolarHBondContact O-CB 3.47Å; F194-A198 PolarHBondContact O-N 3.02Å; F194-Y344 HydrophobicContact CD1-CE2 4.36Å; F194-Y344 AromaticContact CD2-CD2 3.47Å; F194-Y344 HydrophobicContact CD2-CD2 3.47Å; F194-Y344 VanDerWaalsContact CD2-CD2 3.47Å; F194-Y344 AromaticContact CD2-CE2 3.46Å; F194-Y344 HydrophobicContact CD2-CE2 3.46Å; F194-Y344 VanDerWaalsContact CD2-CE2 3.46Å; F194-Y344 HydrophobicContact CE1-CE2 4Å; F194-Y344 AromaticContact CE2-CD2 3.25Å; F194-Y344 HydrophobicContact CE2-CD2 3.25Å; F194-Y344 HydrophobicContact CE2-CE1 4.41Å; F194-Y344 AromaticContact CE2-CE2 3.03Å; F194-Y344 HydrophobicContact CE2-CE2 3.03Å; F194-Y344 HydrophobicContact CE2-CG 4.05Å; F194-Y344 AromaticContact CE2-CZ 3.68Å; F194-Y344 HydrophobicContact CG-CD2 4.42Å; F194-Y344 HydrophobicContact CG-CE2 4.13Å; F194-Y344 HydrophobicContact CZ-CD2 4.04Å; F194-Y344 HydrophobicContact CZ-CE1 4.5Å; F194-Y344 AromaticContact CZ-CE2 3.33Å; F194-Y344 HydrophobicContact CZ-CE2 3.33Å; F194-Y344 AromaticContact CZ-CZ 3.6Å; F194-H347 AromaticContact CD2-CD2 3.59Å; F194-H347 AromaticContact CE2-CD2 3.78Å; F194-L348 HydrophobicContact CE1-CD1 4.47Å; F194-L348 HydrophobicContact CE2-CB 4.2Å; F194-L348 HydrophobicContact CE2-CD1 4.39Å; F194-L348 HydrophobicContact CZ-CB 4.26Å; F194-L348 HydrophobicContact CZ-CD1 3.65Å; F194-L348 HydrophobicContact CZ-CG 4.4Å; F194-W383 HydrophobicContact CE1-CZ3 4.34Å; F194-W383 HydrophobicContact CZ-CZ3 4.17Å; F194-L386 HydrophobicContact CD1-CD1 4.42Å; F194-L386 HydrophobicContact CD1-CD2 4.39Å; F194-L386 HydrophobicContact CE1-CD1 4.17Å; F194-L386 HydrophobicContact CE1-CD2 4.35Å; F194-F577 VanDerWaalsContact CA-CD1 3.45Å; F194-F577 HydrophobicContact CB-CB 3.94Å; F194-F577 HydrophobicContact CB-CD1 3.74Å; F194-F577 HydrophobicContact CB-CG 4.12Å; F194-F577 HydrophobicContact CD2-CB 3.95Å; F194-F577 HydrophobicContact CD2-CD1 4.23Å; F194-F577 HydrophobicContact CD2-CG 4Å; F194-F577 HydrophobicContact CG-CB 4.44Å; F194-F577 HydrophobicContact CG-CD1 4.47Å
195	A	98.8	Very high	98.4	Very high	2 Å²	2	16 Å²	16	2%	0.017	9%	0.094	C	C	.	.	H	α-helix	trans	-62.4	-44.6	-176.3	0	0	0	0	0	112	S191 L192 A198 Q199 L386 M387 A427	S191-A195 PolarHBondContact O-N 3.4Å; L192-A195 HydrophobicContact CD2-CB 4.26Å; L192-A195 PolarHBondContact O-N 3.4Å; L192-A195 VanDerWaalsContact O-N 3.1Å; A195-A198 WeakPolarHBondContact O-CB 3.2Å; A195-A198 PolarHBondContact O-N 3.48Å; A195-Q199 PolarHBondContact O-N 3.38Å; A195-Q199 VanDerWaalsContact O-N 3.08Å; A195-L386 HydrophobicContact CB-CB 3.91Å; A195-L386 HydrophobicContact CB-CD1 4.21Å; A195-M387 HydrophobicContact CB-CE 3.46Å; A195-M387 VanDerWaalsContact CB-CE 3.46Å; A195-A427 HydrophobicContact CB-CB 4.48Å
196	F	98.9	Very high	98.4	Very high	1 Å²	1	13.8 Å²	13.8	0%	0.004	8%	0.077	C	C	.	.	H	α-helix	trans	-72.6	-30.6	175.3	-69.8	-55.5	0	0	0	112.9	L192 F194 Q199 H200 V291 Y297 M387 F391 F403 F422	L192-F196 HydrophobicContact CB-CD2 4.4Å; L192-F196 HydrophobicContact CB-CE2 4.36Å; L192-F196 WeakPolarHBondContact O-CD2 3.47Å; L192-F196 PolarHBondContact O-N 2.98Å; F194-F196 PolarHBondContact O-N 2.87Å; F196-Q199 PolarHBondContact O-N 2.98Å; F196-H200 VanDerWaalsContact O-CB 3.25Å; F196-H200 WeakPolarHBondContact O-CB 3.32Å; F196-H200 PolarHBondContact O-N 3.03Å; F196-V291 HydrophobicContact CE1-CG2 4.15Å; F196-Y297 VanDerWaalsContact C-CE2 3.48Å; F196-Y297 HydrophobicContact CB-CD2 4.01Å; F196-Y297 HydrophobicContact CB-CE2 3.74Å; F196-M387 HydrophobicContact CE1-CE 4.37Å; F196-M387 HydrophobicContact CE1-SD 4.27Å; F196-F391 HydrophobicContact CE2-CD1 4.47Å; F196-F391 HydrophobicContact CE2-CE1 4.47Å; F196-F391 HydrophobicContact CZ-CD1 4.03Å; F196-F391 AromaticContact CZ-CE1 3.7Å; F196-F391 HydrophobicContact CZ-CE1 3.7Å; F196-F403 HydrophobicContact CE1-CE1 4.2Å; F196-F403 HydrophobicContact CE2-CZ 4.32Å; F196-F403 AromaticContact CZ-CE1 3.65Å; F196-F403 HydrophobicContact CZ-CE1 3.65Å; F196-F403 AromaticContact CZ-CZ 3.78Å; F196-F403 HydrophobicContact CZ-CZ 3.78Å; F196-F422 HydrophobicContact CD2-CD1 4.42Å; F196-F422 AromaticContact CD2-CD2 3.96Å; F196-F422 HydrophobicContact CD2-CD2 3.96Å; F196-F422 HydrophobicContact CD2-CE2 4.06Å; F196-F422 HydrophobicContact CD2-CG 4.16Å; F196-F422 HydrophobicContact CD2-CZ 4.35Å; F196-F422 AromaticContact CE2-CD1 3.98Å; F196-F422 HydrophobicContact CE2-CD1 3.98Å; F196-F422 HydrophobicContact CE2-CD2 4.15Å; F196-F422 AromaticContact CE2-CE1 3.78Å; F196-F422 HydrophobicContact CE2-CE1 3.78Å; F196-F422 AromaticContact CE2-CE2 3.96Å; F196-F422 HydrophobicContact CE2-CE2 3.96Å; F196-F422 HydrophobicContact CE2-CG 4.17Å; F196-F422 AromaticContact CE2-CZ 3.77Å; F196-F422 HydrophobicContact CE2-CZ 3.77Å
197	F	98.9	Very high	98.4	Very high	2 Å²	2	14 Å²	14	1%	0.009	8%	0.078	C	C	.	.	H	α-helix	trans	-62.4	-48.3	171.7	-172.8	-92.5	0	0	0	110.6	M193 F194 Q199 H200 F201 Y297 I339 V340 Y344 F577	M193-F197 WeakPolarHBondContact O-CB 3.42Å; M193-F197 PolarHBondContact O-N 2.83Å; F194-F197 WeakPolarHBondContact O-CB 3.46Å; F194-F197 PolarHBondContact O-N 3.38Å; F197-Q199 VanDerWaalsContact C-N 3.3Å; F197-Q199 PolarHBondContact O-N 3.35Å; F197-H200 PolarHBondContact O-N 2.97Å; F197-F201 HydrophobicContact CD1-CB 4.34Å; F197-F201 HydrophobicContact CE1-CB 4.18Å; F197-F201 HydrophobicContact CE1-CG 4.44Å; F197-F201 WeakPolarHBondContact O-CB 3.49Å; F197-F201 PolarHBondContact O-N 2.91Å; F197-Y297 HydrophobicContact CB-CE1 4.39Å; F197-Y297 HydrophobicContact CB-CE2 3.99Å; F197-Y297 WeakPolarHBondContact CB-OH 3.34Å; F197-Y297 HydrophobicContact CD2-CD1 4.34Å; F197-Y297 AromaticContact CD2-CE1 3.67Å; F197-Y297 HydrophobicContact CD2-CE1 3.67Å; F197-Y297 AromaticContact CD2-CZ 3.86Å; F197-I339 HydrophobicContact CE2-CG2 4.08Å; F197-I339 HydrophobicContact CZ-CG2 3.89Å; F197-V340 HydrophobicContact CE1-CG2 3.84Å; F197-V340 HydrophobicContact CZ-CG2 3.92Å; F197-Y344 AromaticContact CD1-CD2 3.41Å; F197-Y344 HydrophobicContact CD1-CD2 3.41Å; F197-Y344 VanDerWaalsContact CD1-CD2 3.41Å; F197-Y344 AromaticContact CD1-CE2 3.83Å; F197-Y344 HydrophobicContact CD1-CE2 3.83Å; F197-Y344 AromaticContact CD1-CG 3.99Å; F197-Y344 HydrophobicContact CD1-CG 3.99Å; F197-Y344 AromaticContact CE1-CD2 3.86Å; F197-Y344 HydrophobicContact CE1-CD2 3.86Å; F197-Y344 AromaticContact CE1-CG 3.94Å; F197-Y344 HydrophobicContact CE1-CG 3.94Å; F197-Y344 HydrophobicContact CG-CD2 4.42Å; F197-F577 HydrophobicContact CB-CE1 3.58Å; F197-F577 HydrophobicContact CB-CZ 4.03Å; F197-F577 HydrophobicContact CD1-CE1 4.2Å; F197-F577 AromaticContact CD1-CZ 3.79Å; F197-F577 HydrophobicContact CD1-CZ 3.79Å; F197-F577 AromaticContact CD2-CE1 3.97Å; F197-F577 HydrophobicContact CD2-CE1 3.97Å; F197-F577 AromaticContact CD2-CZ 3.69Å; F197-F577 HydrophobicContact CD2-CZ 3.69Å; F197-F577 HydrophobicContact CE1-CZ 4.12Å; F197-F577 HydrophobicContact CE2-CZ 4.04Å; F197-F577 AromaticContact CG-CE1 3.66Å; F197-F577 HydrophobicContact CG-CE1 3.66Å; F197-F577 AromaticContact CG-CZ 3.55Å; F197-F577 HydrophobicContact CG-CZ 3.55Å; F197-F577 HydrophobicContact CZ-CZ 4.24Å
198	A	98.8	Very high	98.5	Very high	5 Å²	5	13 Å²	13	4%	0.041	7%	0.073	C	C	.	.	H	α-helix	trans	-55.7	-47.5	177.2	0	0	0	0	0	110.7	F194 A195 T202 Y344 Y381	F194-A198 WeakPolarHBondContact O-CB 3.47Å; F194-A198 PolarHBondContact O-N 3.02Å; A195-A198 WeakPolarHBondContact O-CB 3.2Å; A195-A198 PolarHBondContact O-N 3.48Å; A198-T202 VanDerWaalsContact O-CB 3.3Å; A198-T202 WeakPolarHBondContact O-CB 3.33Å; A198-T202 WeakPolarHBondContact O-CG2 3.27Å; A198-T202 PolarHBondContact O-N 3.49Å; A198-T202 PolarHBondContact O-OG1 3.29Å; A198-Y344 HydrophobicContact CB-CE2 3.87Å; A198-Y344 WeakPolarHBondContact CB-OH 3.47Å; A198-Y381 HydrophobicContact CB-CE1 4.33Å
199	Q	98.8	Very high	98.6	Very high	44 Å²	44	12.6 Å²	12.6	21%	0.206	7%	0.071	C	C	.	.	H	α-helix	trans	-63.1	-51.4	178.6	-161.3	-174.4	9	0	0	111.6	A195 F196 F197 T202 H203 L294	A195-Q199 PolarHBondContact O-N 3.38Å; A195-Q199 VanDerWaalsContact O-N 3.08Å; F196-Q199 PolarHBondContact O-N 2.98Å; F197-Q199 VanDerWaalsContact C-N 3.3Å; F197-Q199 PolarHBondContact O-N 3.35Å; Q199-T202 PolarHBondContact O-OG1 3.49Å; Q199-H203 WeakPolarHBondContact O-CB 3.48Å; Q199-H203 VanDerWaalsContact O-CG 3.26Å; Q199-H203 PolarHBondContact O-N 3.44Å; Q199-H203 VanDerWaalsContact O-N 3.17Å; Q199-H203 PolarHBondContact O-ND1 2.74Å; Q199-L294 HydrophobicContact CB-CD2 3.9Å; Q199-L294 HydrophobicContact CG-CD1 4.43Å; Q199-L294 HydrophobicContact CG-CD2 3.81Å; Q199-L294 HydrophobicContact CG-CG 4.44Å
200	H	98.9	Very high	98.5	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.009	9%	0.086	C	C	.	.	H	α-helix	trans	-60.2	-50.1	-179.4	178.4	-87.7	0	0	0	112.1	F196 F197 H228 F288 L294 Y297 A298 W301	F196-H200 VanDerWaalsContact O-CB 3.25Å; F196-H200 WeakPolarHBondContact O-CB 3.32Å; F196-H200 PolarHBondContact O-N 3.03Å; F197-H200 PolarHBondContact O-N 2.97Å; H200-H228 AromaticContact CE1-CD2 3.06Å; H200-H228 PolarHBondContact CE1-CD2 2.96Å; H200-H228 AromaticContact CE1-NE2 3.09Å; H200-H228 PolarHBondContact CE1-NE2 2.87Å; H200-H228 AromaticContact ND1-CD2 3.38Å; H200-H228 PolarHBondContact ND1-CD2 3.16Å; H200-H228 AromaticContact ND1-NE2 3.33Å; H200-H228 PolarHBondContact ND1-NE2 3.2Å; H200-H228 AromaticContact NE2-CD2 3.53Å; H200-H228 AromaticContact NE2-NE2 4Å; H200-H228 PolarHBondContact O-CD2 2.71Å; H200-F288 AromaticContact CD2-CD2 3.89Å; H200-F288 AromaticContact CD2-CE2 3.26Å; H200-F288 WeakPolarHBondContact CD2-CE2 3.44Å; H200-F288 AromaticContact CD2-CZ 3.85Å; H200-F288 AromaticContact NE2-CE2 3.53Å; H200-L294 HydrophobicContact CB-CD2 3.81Å; H200-Y297 HydrophobicContact CB-CD2 4.29Å; H200-Y297 HydrophobicContact CB-CG 4.31Å; H200-Y297 WeakPolarHBondContact CD2-CB 3.33Å; H200-A298 PolarHBondContact NE2-N 2.88Å; H200-W301 AromaticContact CE1-CD1 3.33Å; H200-W301 AromaticContact CE1-NE1 3.78Å
201	F	98.9	Very high	98.3	Very high	7 Å²	7	26.2 Å²	26.2	3%	0.031	13%	0.127	C	C	.	.	H	α-helix	trans	-61.3	-46.1	-178.9	170.7	-110.5	0	0	0	112	F197 Q204 F205 V224 T336 V340 L530	F197-F201 HydrophobicContact CD1-CB 4.34Å; F197-F201 HydrophobicContact CE1-CB 4.18Å; F197-F201 HydrophobicContact CE1-CG 4.44Å; F197-F201 WeakPolarHBondContact O-CB 3.49Å; F197-F201 PolarHBondContact O-N 2.91Å; F201-Q204 VanDerWaalsContact CE2-NE2 3.34Å; F201-Q204 VanDerWaalsContact O-CG 3.23Å; F201-Q204 WeakPolarHBondContact O-CG 3.43Å; F201-Q204 PolarHBondContact O-NE2 2.81Å; F201-F205 HydrophobicContact CD1-CE1 4.2Å; F201-F205 HydrophobicContact CD1-CZ 4.13Å; F201-F205 AromaticContact CE1-CE1 3.72Å; F201-F205 HydrophobicContact CE1-CE1 3.72Å; F201-F205 AromaticContact CE1-CZ 3.7Å; F201-F205 HydrophobicContact CE1-CZ 3.7Å; F201-F205 HydrophobicContact CE2-CE1 4.15Å; F201-F205 AromaticContact CZ-CE1 3.68Å; F201-F205 HydrophobicContact CZ-CE1 3.68Å; F201-F205 HydrophobicContact CZ-CZ 4.13Å; F201-V224 HydrophobicContact CE2-CG1 4.31Å; F201-V224 HydrophobicContact CE2-CG2 3.73Å; F201-V224 HydrophobicContact CZ-CG2 3.87Å; F201-T336 HydrophobicContact CD2-CG2 3.81Å; F201-T336 HydrophobicContact CE2-CG2 3.79Å; F201-V340 HydrophobicContact CD1-CG2 4.39Å; F201-V340 HydrophobicContact CD2-CG2 3.82Å; F201-V340 HydrophobicContact CE1-CG1 4.21Å; F201-V340 HydrophobicContact CE1-CG2 4.17Å; F201-V340 HydrophobicContact CE2-CG2 3.59Å; F201-V340 HydrophobicContact CG-CG2 4.23Å; F201-V340 HydrophobicContact CZ-CG1 4.12Å; F201-V340 HydrophobicContact CZ-CG2 3.78Å; F201-L530 HydrophobicContact CZ-CD2 4.07Å
202	T	98.8	Very high	98.3	Very high	5 Å²	5	31.2 Å²	31.2	3%	0.031	15%	0.154	C	C	.	.	H	α-helix	trans	-74.2	-31.2	-174	55.2	0	0	0	0	113.6	A198 Q199 Q204 F205 F206 Y381	A198-T202 VanDerWaalsContact O-CB 3.3Å; A198-T202 WeakPolarHBondContact O-CB 3.33Å; A198-T202 WeakPolarHBondContact O-CG2 3.27Å; A198-T202 PolarHBondContact O-N 3.49Å; A198-T202 PolarHBondContact O-OG1 3.29Å; Q199-T202 PolarHBondContact O-OG1 3.49Å; T202-Q204 PolarHBondContact O-N 2.85Å; T202-Q204 VanDerWaalsContact O-N 3.08Å; T202-F205 HydrophobicContact CG2-CE2 4.17Å; T202-F205 HydrophobicContact CG2-CZ 3.97Å; T202-F205 WeakPolarHBondContact O-CD2 3.23Å; T202-F205 PolarHBondContact O-N 3.33Å; T202-F206 HydrophobicContact CG2-CD2 4.36Å; T202-F206 HydrophobicContact CG2-CE2 4.08Å; T202-F206 PolarHBondContact O-N 3.01Å; T202-Y381 HydrophobicContact CG2-CD1 3.62Å; T202-Y381 HydrophobicContact CG2-CD2 3.81Å; T202-Y381 HydrophobicContact CG2-CE1 3.39Å; T202-Y381 HydrophobicContact CG2-CE2 3.57Å; T202-Y381 HydrophobicContact CG2-CG 3.82Å
203	H	98.7	Very high	98.2	Very high	56 Å²	56	31.5 Å²	31.5	26%	0.259	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-8.4	-179	-77.5	46	0	0	0	113.1	Q199 F205 K207 H285 F288	Q199-H203 WeakPolarHBondContact O-CB 3.48Å; Q199-H203 VanDerWaalsContact O-CG 3.26Å; Q199-H203 PolarHBondContact O-N 3.44Å; Q199-H203 VanDerWaalsContact O-N 3.17Å; Q199-H203 PolarHBondContact O-ND1 2.74Å; H203-F205 VanDerWaalsContact C-N 3.3Å; H203-K207 WeakPolarHBondContact O-CG 3.41Å; H203-H285 PolarHBondContact O-CD2 3.22Å; H203-H285 PolarHBondContact O-NE2 2.88Å; H203-F288 HydrophobicContact CB-CE1 3.65Å; H203-F288 HydrophobicContact CB-CZ 4.03Å
204	Q	98.7	Very high	98.2	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.009	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-29	169.2	87	-172	-73	0	0	113.2	F201 T202 A219 H228	F201-Q204 VanDerWaalsContact CE2-NE2 3.34Å; F201-Q204 VanDerWaalsContact O-CG 3.23Å; F201-Q204 WeakPolarHBondContact O-CG 3.43Å; F201-Q204 PolarHBondContact O-NE2 2.81Å; T202-Q204 PolarHBondContact O-N 2.85Å; T202-Q204 VanDerWaalsContact O-N 3.08Å; Q204-A219 WeakPolarHBondContact O-CB 3.36Å; Q204-H228 HydrophobicContact CB-CB 3.7Å; Q204-H228 VanDerWaalsContact CB-CG 3.46Å; Q204-H228 WeakPolarHBondContact CB-ND1 3.27Å; Q204-H228 VanDerWaalsContact CD-CE1 3.49Å; Q204-H228 PolarHBondContact OE1-CE1 3.01Å
205	F	98.6	Very high	98.2	Very high	8 Å²	8	32.3 Å²	32.3	4%	0.035	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.9	-8.5	-176.4	53.3	-111.4	0	0	0	114	F201 T202 H203 I373 F377	F201-F205 HydrophobicContact CD1-CE1 4.2Å; F201-F205 HydrophobicContact CD1-CZ 4.13Å; F201-F205 AromaticContact CE1-CE1 3.72Å; F201-F205 HydrophobicContact CE1-CE1 3.72Å; F201-F205 AromaticContact CE1-CZ 3.7Å; F201-F205 HydrophobicContact CE1-CZ 3.7Å; F201-F205 HydrophobicContact CE2-CE1 4.15Å; F201-F205 AromaticContact CZ-CE1 3.68Å; F201-F205 HydrophobicContact CZ-CE1 3.68Å; F201-F205 HydrophobicContact CZ-CZ 4.13Å; T202-F205 HydrophobicContact CG2-CE2 4.17Å; T202-F205 HydrophobicContact CG2-CZ 3.97Å; T202-F205 WeakPolarHBondContact O-CD2 3.23Å; T202-F205 PolarHBondContact O-N 3.33Å; H203-F205 VanDerWaalsContact C-N 3.3Å; F205-I373 HydrophobicContact CB-CD1 3.9Å; F205-I373 HydrophobicContact CB-CG1 3.98Å; F205-I373 HydrophobicContact CD2-CD1 3.79Å; F205-I373 HydrophobicContact CG-CD1 3.91Å; F205-F377 AromaticContact CE2-CE1 3.99Å; F205-F377 HydrophobicContact CE2-CE1 3.99Å; F205-F377 HydrophobicContact CZ-CE1 4.48Å
206	F	98.7	Very high	98.1	Very high	22 Å²	22	33.8 Å²	33.8	10%	0.096	17%	0.169	C	C	.	.			trans	-104.4	78.4	166.5	-60.3	-36.8	0	0	0	110.9	T202 I373 F377 N378 Y381	T202-F206 HydrophobicContact CG2-CD2 4.36Å; T202-F206 HydrophobicContact CG2-CE2 4.08Å; T202-F206 PolarHBondContact O-N 3.01Å; F206-I373 HydrophobicContact CD1-CG2 3.78Å; F206-I373 HydrophobicContact CE1-CG2 3.47Å; F206-I373 VanDerWaalsContact CE1-CG2 3.47Å; F206-F377 HydrophobicContact CE1-CB 4.4Å; F206-F377 AromaticContact CE1-CD1 3.88Å; F206-F377 HydrophobicContact CE1-CD1 3.88Å; F206-F377 HydrophobicContact CE1-CE1 4.44Å; F206-F377 HydrophobicContact CE1-CG 4.19Å; F206-F377 VanDerWaalsContact CZ-C 3.5Å; F206-F377 HydrophobicContact CZ-CB 4.34Å; F206-F377 AromaticContact CZ-CD1 3.59Å; F206-F377 HydrophobicContact CZ-CD1 3.59Å; F206-F377 HydrophobicContact CZ-CD2 4.19Å; F206-F377 AromaticContact CZ-CE1 3.87Å; F206-F377 HydrophobicContact CZ-CE1 3.87Å; F206-F377 HydrophobicContact CZ-CE2 4.45Å; F206-F377 AromaticContact CZ-CG 3.77Å; F206-F377 HydrophobicContact CZ-CG 3.77Å; F206-F377 HydrophobicContact CZ-CZ 4.3Å; F206-F377 VanDerWaalsContact CZ-O 3.24Å; F206-F377 WeakPolarHBondContact CZ-O 3.46Å; F206-N378 HydrophobicContact CD1-CB 3.57Å; F206-N378 HydrophobicContact CE1-CB 3.68Å; F206-N378 HydrophobicContact CG-CB 4.22Å; F206-N378 HydrophobicContact CZ-CB 4.41Å; F206-Y381 VanDerWaalsContact CE2-CB 3.43Å; F206-Y381 AromaticContact CE2-CD2 3.72Å; F206-Y381 HydrophobicContact CE2-CD2 3.72Å; F206-Y381 AromaticContact CE2-CG 3.77Å; F206-Y381 HydrophobicContact CE2-CG 3.77Å; F206-Y381 HydrophobicContact CZ-CD2 4.13Å
207	K	98.3	Very high	98.1	Very high	11 Å²	11	33.8 Å²	33.8	5%	0.048	17%	0.169	C	C	.	.			trans	-119.5	79.5	173.8	-57.6	-172.3	69.5	-172.1	0	109.5	Y144 H203 D209 T217 V218 A219 D232 E286	Y144-K207 PolarHBondContact OH-N 3.01Å; H203-K207 WeakPolarHBondContact O-CG 3.41Å; K207-D209 PolarHBondContact O-N 3.47Å; K207-T217 CarbonylContact O-C 3.59Å; K207-T217 WeakPolarHBondContact O-CA 3.16Å; K207-T217 PolarHBondContact O-OG1 2.87Å; K207-V218 HydrophobicContact CB-CG2 3.45Å; K207-V218 VanDerWaalsContact CB-CG2 3.45Å; K207-V218 HydrophobicContact CD-CG2 4.09Å; K207-V218 HydrophobicContact CG-CG2 4.4Å; K207-V218 PolarHBondContact O-N 3.47Å; K207-A219 HydrophobicContact CB-CB 3.94Å; K207-A219 HydrophobicContact CD-CB 4.06Å; K207-A219 HydrophobicContact CG-CB 3.96Å; K207-D232 IonicContact NZ-OD2 3.19Å; K207-D232 PolarHBondContact NZ-OD2 2.81Å; K207-E286 WeakPolarHBondContact CE-OE1 3.46Å; K207-E286 WeakPolarHBondContact CE-OE2 3.43Å; K207-E286 VanDerWaalsContact NZ-CD 3.32Å; K207-E286 IonicContact NZ-OE1 2.96Å; K207-E286 PolarHBondContact NZ-OE1 3.48Å; K207-E286 VanDerWaalsContact NZ-OE1 3.14Å; K207-E286 IonicContact NZ-OE2 2.7Å; K207-E286 PolarHBondContact NZ-OE2 3.44Å
208	S	98.3	Very high	98.1	Very high	43 Å²	43	36 Å²	36	30%	0.301	18%	0.183	S	C	.	.	B	Isolated β-bridge	trans	-67.1	127.7	-176.5	-57.9	0	0	0	0	110.9	Y144 M210 F216 N378	Y144-S208 WeakPolarHBondContact CE2-OG 3.47Å; Y144-S208 PolarHBondContact OH-N 2.92Å; Y144-S208 PolarHBondContact OH-OG 3.18Å; S208-M210 VanDerWaalsContact C-N 3.35Å; S208-M210 PolarHBondContact O-N 2.99Å; S208-F216 CarbonylContact C-O 3.56Å; S208-F216 VanDerWaalsContact CA-O 3.26Å; S208-F216 WeakPolarHBondContact CA-O 3.21Å; S208-N378 PolarHBondContact OG-ND2 3.07Å
209	D	97.7	Very high	98.1	Very high	31 Å²	31	35.9 Å²	35.9	17%	0.166	18%	0.182	C	C	.	.			trans	-82.5	82.7	176.6	-174.9	-4.6	0	0	0	109.9	K207 K211 N212 G213 F216 V218	K207-D209 PolarHBondContact O-N 3.47Å; D209-K211 PolarHBondContact O-N 3.46Å; D209-K211 WeakPolarHBondContact OD1-CB 3.29Å; D209-K211 PolarHBondContact OD1-N 3.09Å; D209-N212 PolarHBondContact O-N 3.3Å; D209-N212 PolarHBondContact OD2-ND2 3.3Å; D209-G213 PolarHBondContact O-N 2.88Å; D209-F216 HydrophobicContact CB-CB 3.93Å; D209-F216 PolarHBondContact N-O 3.41Å; D209-V218 HydrophobicContact CB-CG1 3.83Å
210	M	94.9	Very high	98	Very high	110 Å²	110	39.6 Å²	39.6	54%	0.542	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-13	-176.3	-62.3	-54.3	-61.8	0	0	113.7	S208 P214	S208-M210 VanDerWaalsContact C-N 3.35Å; S208-M210 PolarHBondContact O-N 2.99Å; M210-P214 HydrophobicContact CE-CB 4.47Å; M210-P214 HydrophobicContact SD-CB 4.45Å
211	K	96.1	Very high	98	Very high	199 Å²	199	41.8 Å²	41.8	87%	0.865	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-40.7	171.8	-61.8	176.1	179.9	172.6	0	110.9	D209	D209-K211 PolarHBondContact O-N 3.46Å; D209-K211 WeakPolarHBondContact OD1-CB 3.29Å; D209-K211 PolarHBondContact OD1-N 3.09Å
212	N	96.8	Very high	98	Very high	105 Å²	105	41.7 Å²	41.7	56%	0.561	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-21.6	176	-71.5	-53.5	0	0	0	112.7	D209 F216	D209-N212 PolarHBondContact O-N 3.3Å; D209-N212 PolarHBondContact OD2-ND2 3.3Å; N212-F216 HydrophobicContact CB-CB 3.97Å; N212-F216 HydrophobicContact CB-CD1 4.24Å; N212-F216 HydrophobicContact CB-CD2 3.66Å; N212-F216 HydrophobicContact CB-CE2 4.17Å; N212-F216 HydrophobicContact CB-CG 3.7Å; N212-F216 WeakPolarHBondContact O-CD2 3.25Å; N212-F216 WeakPolarHBondContact O-CE2 3.34Å
213	G	97.7	Very high	97.9	Very high	6 Å²	6	42 Å²	42	6%	0.062	22%	0.223	C	C	.	.			trans	123.2	172.7	174.6	0	0	0	0	0	113.1	D209 A215 F216	D209-G213 PolarHBondContact O-N 2.88Å; G213-A215 PolarHBondContact O-N 3.34Å; G213-F216 PolarHBondContact O-N 2.95Å; G213-F216 VanDerWaalsContact O-N 3.1Å
214	P	98	Very high	98	Very high	9 Å²	9	39.4 Å²	39.4	6%	0.058	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-15.2	-170.6	27.9	-36.3	0	0	0	114.6	M210 F216 N450 K453 M454	M210-P214 HydrophobicContact CE-CB 4.47Å; M210-P214 HydrophobicContact SD-CB 4.45Å; P214-F216 VanDerWaalsContact C-N 3.31Å; P214-N450 HydrophobicContact CB-CB 3.73Å; P214-N450 HydrophobicContact CG-CB 4.13Å; P214-K453 HydrophobicContact CG-CB 4.48Å; P214-K453 HydrophobicContact CG-CD 3.98Å; P214-K453 HydrophobicContact CG-CG 4.38Å; P214-M454 HydrophobicContact CB-CE 4.2Å; P214-M454 HydrophobicContact CB-CG 4.48Å; P214-M454 HydrophobicContact CB-SD 4.05Å; P214-M454 HydrophobicContact CG-CG 3.98Å; P214-M454 HydrophobicContact CG-SD 4.19Å
215	A	98.1	Very high	97.9	Very high	8 Å²	8	41.2 Å²	41.2	7%	0.066	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-13.9	177.8	0	0	0	0	0	113.7	A128 Y144 G213 M454	A128-A215 HydrophobicContact CB-CB 3.36Å; Y144-A215 WeakPolarHBondContact CD2-O 3.48Å; Y144-A215 PolarHBondContact N-O 3.1Å; G213-A215 PolarHBondContact O-N 3.34Å; A215-M454 HydrophobicContact CB-CG 4.3Å; A215-M454 HydrophobicContact CB-SD 4.02Å
216	F	98.8	Very high	98	Very high	34 Å²	34	40.8 Å²	40.8	15%	0.149	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-102.3	155.9	-173.4	-64.9	-91.5	0	0	0	112.1	S142 Y143 Y144 S208 D209 N212 G213 P214	S142-F216 CarbonylContact O-C 3.38Å; S142-F216 WeakPolarHBondContact O-CA 3.42Å; S142-F216 WeakPolarHBondContact O-CB 3.37Å; Y143-F216 HydrophobicContact CD1-CD1 4.18Å; Y143-F216 AromaticContact CD1-CE1 3.88Å; Y143-F216 HydrophobicContact CD1-CE1 3.88Å; Y143-F216 HydrophobicContact CD1-CZ 4.16Å; Y143-F216 HydrophobicContact CD2-CE1 4.1Å; Y143-F216 HydrophobicContact CE1-CD1 4.1Å; Y143-F216 AromaticContact CE1-CE1 3.36Å; Y143-F216 HydrophobicContact CE1-CE1 3.36Å; Y143-F216 HydrophobicContact CE1-CE2 4.01Å; Y143-F216 AromaticContact CE1-CZ 3.31Å; Y143-F216 HydrophobicContact CE1-CZ 3.31Å; Y143-F216 HydrophobicContact CE2-CD1 4.46Å; Y143-F216 AromaticContact CE2-CE1 3.62Å; Y143-F216 HydrophobicContact CE2-CE1 3.62Å; Y143-F216 HydrophobicContact CE2-CZ 4.21Å; Y143-F216 HydrophobicContact CG-CD1 4.4Å; Y143-F216 HydrophobicContact CG-CE1 4.22Å; Y143-F216 AromaticContact CZ-CE1 3.21Å; Y143-F216 AromaticContact CZ-CZ 3.33Å; Y143-F216 WeakPolarHBondContact OH-CE1 3.18Å; Y143-F216 VanDerWaalsContact OH-CZ 3.23Å; Y143-F216 WeakPolarHBondContact OH-CZ 3.18Å; Y144-F216 WeakPolarHBondContact CE2-O 3.15Å; S208-F216 CarbonylContact C-O 3.56Å; S208-F216 VanDerWaalsContact CA-O 3.26Å; S208-F216 WeakPolarHBondContact CA-O 3.21Å; D209-F216 HydrophobicContact CB-CB 3.93Å; D209-F216 PolarHBondContact N-O 3.41Å; N212-F216 HydrophobicContact CB-CB 3.97Å; N212-F216 HydrophobicContact CB-CD1 4.24Å; N212-F216 HydrophobicContact CB-CD2 3.66Å; N212-F216 HydrophobicContact CB-CE2 4.17Å; N212-F216 HydrophobicContact CB-CG 3.7Å; N212-F216 WeakPolarHBondContact O-CD2 3.25Å; N212-F216 WeakPolarHBondContact O-CE2 3.34Å; G213-F216 PolarHBondContact O-N 2.95Å; G213-F216 VanDerWaalsContact O-N 3.1Å; P214-F216 VanDerWaalsContact C-N 3.31Å
217	T	98.7	Very high	98	Very high	1 Å²	1	40 Å²	40	1%	0.006	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-135.9	144.3	176.3	-170.4	0	0	0	0	112.6	S142 Y144 K207 A219	S142-T217 PolarHBondContact O-N 3.09Å; Y144-T217 HydrophobicContact CD1-CG2 4.23Å; Y144-T217 HydrophobicContact CE1-CG2 4.06Å; Y144-T217 PolarHBondContact OH-OG1 3.35Å; K207-T217 CarbonylContact O-C 3.59Å; K207-T217 WeakPolarHBondContact O-CA 3.16Å; K207-T217 PolarHBondContact O-OG1 2.87Å; T217-A219 PolarHBondContact OG1-N 2.94Å; T217-A219 VanDerWaalsContact OG1-N 3.09Å
218	V	98.1	Very high	98	Very high	48 Å²	48	39.5 Å²	39.5	29%	0.291	22%	0.215	S	C	.	.	S	Bend	trans	-86.6	-16.1	167.3	-58.9	0	0	0	0	112.4	K207 D209 K220	K207-V218 HydrophobicContact CB-CG2 3.45Å; K207-V218 VanDerWaalsContact CB-CG2 3.45Å; K207-V218 HydrophobicContact CD-CG2 4.09Å; K207-V218 HydrophobicContact CG-CG2 4.4Å; K207-V218 PolarHBondContact O-N 3.47Å; D209-V218 HydrophobicContact CB-CG1 3.83Å; V218-K220 VanDerWaalsContact C-N 3.3Å; V218-K220 PolarHBondContact O-N 2.97Å
219	A	98.1	Very high	98	Very high	3 Å²	3	37.9 Å²	37.9	3%	0.025	20%	0.203	C	C	.	.			trans	-81.7	69.4	179.6	0	0	0	0	0	111.9	Q204 K207 T217 G221 H222	Q204-A219 WeakPolarHBondContact O-CB 3.36Å; K207-A219 HydrophobicContact CB-CB 3.94Å; K207-A219 HydrophobicContact CD-CB 4.06Å; K207-A219 HydrophobicContact CG-CB 3.96Å; T217-A219 PolarHBondContact OG1-N 2.94Å; T217-A219 VanDerWaalsContact OG1-N 3.09Å; A219-G221 PolarHBondContact O-N 3.15Å; A219-H222 PolarHBondContact O-N 3.35Å
220	K	97.9	Very high	98.1	Very high	122 Å²	122	36.4 Å²	36.4	53%	0.53	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-11.3	-175.1	-65.1	-179.6	-179.7	177.6	0	114.7	L141 S142 V218 H222	L141-K220 HydrophobicContact CB-CB 4.35Å; L141-K220 HydrophobicContact CB-CG 4.4Å; S142-K220 WeakPolarHBondContact OG-CE 3.44Å; V218-K220 VanDerWaalsContact C-N 3.3Å; V218-K220 PolarHBondContact O-N 2.97Å; K220-H222 VanDerWaalsContact C-N 3.28Å; K220-H222 PolarHBondContact O-CD2 3.09Å
221	G	97.9	Very high	98.2	Very high	48 Å²	48	31.4 Å²	31.4	50%	0.495	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-22.2	171.6	0	0	0	0	0	114	A219 G223	A219-G221 PolarHBondContact O-N 3.15Å; G221-G223 VanDerWaalsContact C-N 3.27Å; G221-G223 PolarHBondContact O-N 3.29Å
222	H	98.6	Very high	98.2	Very high	5 Å²	5	24.7 Å²	24.7	2%	0.023	15%	0.145	C	C	.	.			trans	48.9	39	176.9	-70.8	-72.8	0	0	0	115.7	L141 Y143 A219 K220 N371 R372 I373	L141-H222 PolarHBondContact O-CE1 3.23Å; L141-H222 PolarHBondContact O-NE2 2.82Å; Y143-H222 PolarHBondContact O-CE1 2.8Å; A219-H222 PolarHBondContact O-N 3.35Å; K220-H222 VanDerWaalsContact C-N 3.28Å; K220-H222 PolarHBondContact O-CD2 3.09Å; H222-N371 PolarHBondContact O-ND2 2.88Å; H222-R372 VanDerWaalsContact CD2-CD 3.47Å; H222-R372 WeakPolarHBondContact CD2-CD 3.33Å; H222-R372 WeakPolarHBondContact CE1-CD 3.12Å; H222-R372 WeakPolarHBondContact NE2-CD 3.49Å; H222-I373 HydrophobicContact CB-CG1 4.05Å; H222-I373 PolarHBondContact ND1-N 3.45Å
223	G	98.4	Very high	98.2	Very high	10 Å²	10	23.2 Å²	23.2	10%	0.103	14%	0.138	C	C	.	.	S	Bend	trans	174	-153.3	179.2	0	0	0	0	0	112.7	G221 D225	G221-G223 VanDerWaalsContact C-N 3.27Å; G221-G223 PolarHBondContact O-N 3.29Å; G223-D225 PolarHBondContact O-N 3.43Å; G223-D225 VanDerWaalsContact O-N 3.11Å
224	V	98.8	Very high	98.2	Very high	3 Å²	3	28 Å²	28	2%	0.018	16%	0.161	C	C	.	.	S	Bend	trans	-84.6	80.4	-179.2	-170.6	0	0	0	0	109.8	F201 L226 I333 T336 I337 L530 N533	F201-V224 HydrophobicContact CE2-CG1 4.31Å; F201-V224 HydrophobicContact CE2-CG2 3.73Å; F201-V224 HydrophobicContact CZ-CG2 3.87Å; V224-L226 HydrophobicContact CG1-CD1 3.63Å; V224-I333 HydrophobicContact CG1-CG2 4.4Å; V224-T336 HydrophobicContact CG1-CG2 3.78Å; V224-I337 HydrophobicContact CB-CD1 4.47Å; V224-I337 HydrophobicContact CB-CG1 4.32Å; V224-I337 HydrophobicContact CG1-CG1 4.14Å; V224-I337 HydrophobicContact CG2-CG1 4.42Å; V224-L530 HydrophobicContact CG2-CD2 4.11Å; V224-N533 PolarHBondContact O-ND2 3.05Å
225	D	98.6	Very high	98.3	Very high	39 Å²	39	33.5 Å²	33.5	21%	0.209	19%	0.186	C	C	.	.	S	Bend	trans	-105	-3.6	176.5	68	-4.8	0	0	0	112.9	G223 G227 R329	G223-D225 PolarHBondContact O-N 3.43Å; G223-D225 VanDerWaalsContact O-N 3.11Å; D225-G227 PolarHBondContact O-N 3.18Å; D225-G227 PolarHBondContact OD1-N 2.98Å; D225-R329 PolarHBondContact O-NE 3.01Å; D225-R329 VanDerWaalsContact O-NE 3.08Å; D225-R329 PolarHBondContact O-NH2 2.66Å
226	L	98.8	Very high	98.3	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.186	C	C	.	.			trans	58.2	27.6	-172.4	-85.8	57.5	0	0	0	113.9	V224 H228 I229 Y230 L332 I333 T336	V224-L226 HydrophobicContact CG1-CD1 3.63Å; L226-H228 WeakPolarHBondContact CA-ND1 3.3Å; L226-H228 PolarHBondContact O-N 2.99Å; L226-H228 VanDerWaalsContact O-N 3.15Å; L226-I229 PolarHBondContact O-N 3.12Å; L226-Y230 HydrophobicContact CB-CD2 3.6Å; L226-Y230 HydrophobicContact CB-CE2 3.51Å; L226-Y230 HydrophobicContact CD2-CE2 3.9Å; L226-Y230 HydrophobicContact CG-CE2 4.34Å; L226-Y230 WeakPolarHBondContact O-CD2 3.21Å; L226-Y230 PolarHBondContact O-N 3.44Å; L226-L332 HydrophobicContact CD2-CB 3.53Å; L226-I333 HydrophobicContact CB-CG1 4.48Å; L226-I333 HydrophobicContact CD1-CB 4.46Å; L226-I333 HydrophobicContact CD1-CG1 3.85Å; L226-I333 HydrophobicContact CD2-CG1 4.3Å; L226-I333 HydrophobicContact CG-CG1 4.42Å; L226-T336 HydrophobicContact CD1-CG2 4.25Å
227	G	98.6	Very high	98.3	Very high	4 Å²	4	32.9 Å²	32.9	4%	0.041	18%	0.181	C	C	.	.	H	α-helix	trans	-59.8	-25.6	175.9	0	0	0	0	0	113.4	D225 I229 G231	D225-G227 PolarHBondContact O-N 3.18Å; D225-G227 PolarHBondContact OD1-N 2.98Å; G227-I229 PolarHBondContact O-N 3.48Å; G227-G231 WeakPolarHBondContact CA-O 3.14Å; G227-G231 CarbonylContact O-C 3.53Å; G227-G231 VanDerWaalsContact O-C 3.28Å; G227-G231 WeakPolarHBondContact O-CA 3.49Å; G227-G231 PolarHBondContact O-N 2.88Å
228	H	98.8	Very high	98.3	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.009	20%	0.197	C	C	.	.	H	α-helix	trans	-65.2	-19.9	170.3	65.5	-54.2	0	0	0	115.3	H200 Q204 L226 G284 H285 F288	H200-H228 AromaticContact CE1-CD2 3.06Å; H200-H228 PolarHBondContact CE1-CD2 2.96Å; H200-H228 AromaticContact CE1-NE2 3.09Å; H200-H228 PolarHBondContact CE1-NE2 2.87Å; H200-H228 AromaticContact ND1-CD2 3.38Å; H200-H228 PolarHBondContact ND1-CD2 3.16Å; H200-H228 AromaticContact ND1-NE2 3.33Å; H200-H228 PolarHBondContact ND1-NE2 3.2Å; H200-H228 AromaticContact NE2-CD2 3.53Å; H200-H228 AromaticContact NE2-NE2 4Å; H200-H228 PolarHBondContact O-CD2 2.71Å; Q204-H228 HydrophobicContact CB-CB 3.7Å; Q204-H228 VanDerWaalsContact CB-CG 3.46Å; Q204-H228 WeakPolarHBondContact CB-ND1 3.27Å; Q204-H228 VanDerWaalsContact CD-CE1 3.49Å; Q204-H228 PolarHBondContact OE1-CE1 3.01Å; L226-H228 WeakPolarHBondContact CA-ND1 3.3Å; L226-H228 PolarHBondContact O-N 2.99Å; L226-H228 VanDerWaalsContact O-N 3.15Å; H228-G284 CarbonylContact O-C 3.4Å; H228-G284 VanDerWaalsContact O-CA 3.25Å; H228-G284 WeakPolarHBondContact O-CA 3.34Å; H228-G284 PolarHBondContact O-N 3.31Å; H228-H285 HydrophobicContact CB-CB 3.98Å; H228-H285 PolarHBondContact O-N 2.88Å; H228-F288 HydrophobicContact CB-CE2 3.79Å; H228-F288 HydrophobicContact CB-CZ 3.76Å; H228-F288 AromaticContact CD2-CE2 3.92Å
229	I	98.9	Very high	98.3	Very high	9 Å²	9	37.3 Å²	37.3	5%	0.046	20%	0.198	C	C	.	.	H	α-helix	trans	-97.4	-47	172.5	-56.9	-56.6	0	0	0	110.3	L226 G227 L248 G284 W301	L226-I229 PolarHBondContact O-N 3.12Å; G227-I229 PolarHBondContact O-N 3.48Å; I229-L248 HydrophobicContact CG2-CD1 3.95Å; I229-G284 VanDerWaalsContact O-CA 3.29Å; I229-G284 WeakPolarHBondContact O-CA 3.39Å; I229-G284 PolarHBondContact O-N 2.74Å; I229-W301 HydrophobicContact CD1-CB 3.58Å; I229-W301 HydrophobicContact CD1-CG 4.17Å; I229-W301 HydrophobicContact CG1-CB 4.08Å
230	Y	98.8	Very high	98.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-97	-7.4	-169.2	-57.1	-65.9	0	0	0	115.2	L226 Q237 L248 H305 F325 R329 L332	L226-Y230 HydrophobicContact CB-CD2 3.6Å; L226-Y230 HydrophobicContact CB-CE2 3.51Å; L226-Y230 HydrophobicContact CD2-CE2 3.9Å; L226-Y230 HydrophobicContact CG-CE2 4.34Å; L226-Y230 WeakPolarHBondContact O-CD2 3.21Å; L226-Y230 PolarHBondContact O-N 3.44Å; Y230-Q237 WeakPolarHBondContact O-CA 3.27Å; Y230-Q237 WeakPolarHBondContact O-CB 3.46Å; Y230-Q237 WeakPolarHBondContact O-CG 3.18Å; Y230-L248 HydrophobicContact CD1-CD1 4.23Å; Y230-L248 HydrophobicContact CD1-CD2 4.23Å; Y230-L248 HydrophobicContact CE1-CD1 3.93Å; Y230-L248 HydrophobicContact CE1-CG 4.43Å; Y230-H305 AromaticContact CE1-CE1 3.75Å; Y230-H305 AromaticContact CE1-ND1 3.64Å; Y230-H305 AromaticContact CZ-ND1 3.74Å; Y230-H305 PolarHBondContact OH-ND1 3.22Å; Y230-F325 AromaticContact CD1-CE2 3.68Å; Y230-F325 HydrophobicContact CD1-CE2 3.68Å; Y230-F325 AromaticContact CD1-CZ 3.63Å; Y230-F325 HydrophobicContact CD1-CZ 3.63Å; Y230-F325 AromaticContact CE1-CE2 3.86Å; Y230-F325 HydrophobicContact CE1-CE2 3.86Å; Y230-F325 HydrophobicContact CE1-CZ 4.13Å; Y230-F325 HydrophobicContact CG-CZ 4.27Å; Y230-R329 HydrophobicContact CD2-CG 3.88Å; Y230-R329 HydrophobicContact CE2-CB 3.98Å; Y230-R329 HydrophobicContact CE2-CG 3.53Å; Y230-L332 WeakPolarHBondContact OH-CD2 3.36Å
231	G	98.1	Very high	98.4	Very high	5 Å²	5	31.8 Å²	31.8	5%	0.052	17%	0.173	C	C	.	.			trans	92.3	153.5	-171.2	0	0	0	0	0	113.4	G227 N233	G227-G231 WeakPolarHBondContact CA-O 3.14Å; G227-G231 CarbonylContact O-C 3.53Å; G227-G231 VanDerWaalsContact O-C 3.28Å; G227-G231 WeakPolarHBondContact O-CA 3.49Å; G227-G231 PolarHBondContact O-N 2.88Å; G231-N233 VanDerWaalsContact C-N 3.34Å
232	D	95.3	Very high	98.4	Very high	57 Å²	57	32.7 Å²	32.7	31%	0.305	17%	0.166	S	C	.	.	S	Bend	trans	-87.5	-2.5	178.4	61.2	5.2	0	0	0	113.7	K207	K207-D232 IonicContact NZ-OD2 3.19Å; K207-D232 PolarHBondContact NZ-OD2 2.81Å
233	N	97.7	Very high	98.4	Very high	75 Å²	75	37.3 Å²	37.3	40%	0.401	19%	0.187	S	C	.	.	S	Bend	trans	-145.3	158.4	176.5	68.2	77	0	0	0	111	G231 E235 R236 Q237	G231-N233 VanDerWaalsContact C-N 3.34Å; N233-E235 VanDerWaalsContact C-N 3.35Å; N233-E235 PolarHBondContact O-N 2.95Å; N233-E235 WeakPolarHBondContact OD1-CB 3.12Å; N233-E235 PolarHBondContact OD1-N 2.75Å; N233-R236 PolarHBondContact O-N 3.43Å; N233-R236 PolarHBondContact OD1-N 3.41Å; N233-Q237 PolarHBondContact O-N 3.4Å; N233-Q237 VanDerWaalsContact O-N 3.09Å
234	L	98.2	Very high	98.4	Very high	107 Å²	107	43 Å²	43	56%	0.56	21%	0.209	S	C	*	.	H	α-helix	trans	-66	-35.2	-173.5	-171.7	63.3	0	0	0	112.9	Q237 H238	L234-Q237 WeakPolarHBondContact O-CB 3.48Å; L234-Q237 PolarHBondContact O-N 3.25Å; L234-H238 VanDerWaalsContact CD1-NE2 3.34Å; L234-H238 WeakPolarHBondContact CD1-NE2 3.28Å; L234-H238 PolarHBondContact O-CD2 2.77Å; L234-H238 VanDerWaalsContact O-CG 3.32Å; L234-H238 PolarHBondContact O-N 3.31Å
235	E	98.3	Very high	98.4	Very high	124 Å²	124	45.6 Å²	45.6	58%	0.579	22%	0.222	S	C	*	.	H	α-helix	trans	-61.9	-47.5	178.7	-171.7	-162	142.7	0	0	110.9	N233 Q237 H238 K239	N233-E235 VanDerWaalsContact C-N 3.35Å; N233-E235 PolarHBondContact O-N 2.95Å; N233-E235 WeakPolarHBondContact OD1-CB 3.12Å; N233-E235 PolarHBondContact OD1-N 2.75Å; E235-Q237 VanDerWaalsContact C-N 3.34Å; E235-Q237 PolarHBondContact O-N 3.28Å; E235-H238 PolarHBondContact O-N 2.98Å; E235-K239 WeakPolarHBondContact O-CG 3.11Å; E235-K239 PolarHBondContact O-N 3.41Å; E235-K239 WeakPolarHBondContact OE1-CE 3.29Å; E235-K239 IonicContact OE1-NZ 3.61Å; E235-K239 PolarHBondContact OE1-NZ 3.38Å
236	R	98.4	Very high	98.4	Very high	19 Å²	19	43.7 Å²	43.7	7%	0.072	21%	0.212	C	C	.	.	H	α-helix	trans	-61.5	-43.2	175.4	-173.5	176	-168.3	87.6	5.7	111.5	N233 H238 K239 L240 E268 M269 V283 G284	N233-R236 PolarHBondContact O-N 3.43Å; N233-R236 PolarHBondContact OD1-N 3.41Å; R236-H238 VanDerWaalsContact C-N 3.34Å; R236-H238 PolarHBondContact O-N 3.46Å; R236-K239 WeakPolarHBondContact O-CB 3.3Å; R236-K239 PolarHBondContact O-N 3.37Å; R236-L240 HydrophobicContact CG-CD1 4.03Å; R236-L240 WeakPolarHBondContact O-CG 3.36Å; R236-L240 PolarHBondContact O-N 3.2Å; R236-L240 VanDerWaalsContact O-N 3.13Å; R236-E268 PolarHBondContact NH1-O 3.06Å; R236-E268 PolarHBondContact NH2-O 3.4Å; R236-M269 PolarHBondContact NH2-SD 2.93Å; R236-V283 PolarHBondContact NE-O 3.44Å; R236-V283 PolarHBondContact NH2-O 3.01Å; R236-G284 WeakPolarHBondContact CD-O 3.31Å; R236-G284 PolarHBondContact NE-O 3.29Å
237	Q	98.8	Very high	98.4	Very high	9 Å²	9	45.3 Å²	45.3	4%	0.042	22%	0.219	C	C	.	.	H	α-helix	trans	-57.7	-47.4	176.3	-176.2	179.1	81.1	0	0	111.8	Y230 N233 L234 E235 K239 L240 R241 F325	Y230-Q237 WeakPolarHBondContact O-CA 3.27Å; Y230-Q237 WeakPolarHBondContact O-CB 3.46Å; Y230-Q237 WeakPolarHBondContact O-CG 3.18Å; N233-Q237 PolarHBondContact O-N 3.4Å; N233-Q237 VanDerWaalsContact O-N 3.09Å; L234-Q237 WeakPolarHBondContact O-CB 3.48Å; L234-Q237 PolarHBondContact O-N 3.25Å; E235-Q237 VanDerWaalsContact C-N 3.34Å; E235-Q237 PolarHBondContact O-N 3.28Å; Q237-K239 VanDerWaalsContact C-N 3.33Å; Q237-K239 PolarHBondContact O-N 3.01Å; Q237-L240 PolarHBondContact O-N 3.37Å; Q237-R241 HydrophobicContact CG-CG 4.42Å; Q237-R241 WeakPolarHBondContact O-CG 3.37Å; Q237-R241 PolarHBondContact O-N 3.13Å; Q237-F325 HydrophobicContact CG-CE1 4.09Å; Q237-F325 HydrophobicContact CG-CZ 3.72Å
238	H	98.7	Very high	98.5	Very high	74 Å²	74	45.4 Å²	45.4	34%	0.343	22%	0.219	S	C	.	.	H	α-helix	trans	-61.6	-40.9	177.4	-71.7	-172.9	0	0	0	112	L234 E235 R236 L240 R241 F243	L234-H238 VanDerWaalsContact CD1-NE2 3.34Å; L234-H238 WeakPolarHBondContact CD1-NE2 3.28Å; L234-H238 PolarHBondContact O-CD2 2.77Å; L234-H238 VanDerWaalsContact O-CG 3.32Å; L234-H238 PolarHBondContact O-N 3.31Å; E235-H238 PolarHBondContact O-N 2.98Å; R236-H238 VanDerWaalsContact C-N 3.34Å; R236-H238 PolarHBondContact O-N 3.46Å; H238-L240 PolarHBondContact O-N 2.96Å; H238-R241 PolarHBondContact O-N 3.18Å; H238-F243 HydrophobicContact CB-CE2 4.15Å; H238-F243 HydrophobicContact CB-CZ 3.72Å; H238-F243 AromaticContact CD2-CZ 3.83Å; H238-F243 AromaticContact CG-CZ 3.72Å; H238-F243 WeakPolarHBondContact O-CE2 3.19Å
239	K	98.6	Very high	98.5	Very high	69 Å²	69	48.1 Å²	48.1	30%	0.3	23%	0.231	S	C	.	.	H	α-helix	trans	-59	-37.1	176.1	-75	171.4	170.2	174	0	112.6	E235 R236 Q237 K249 G266 A267	E235-K239 WeakPolarHBondContact O-CG 3.11Å; E235-K239 PolarHBondContact O-N 3.41Å; E235-K239 WeakPolarHBondContact OE1-CE 3.29Å; E235-K239 IonicContact OE1-NZ 3.61Å; E235-K239 PolarHBondContact OE1-NZ 3.38Å; R236-K239 WeakPolarHBondContact O-CB 3.3Å; R236-K239 PolarHBondContact O-N 3.37Å; Q237-K239 VanDerWaalsContact C-N 3.33Å; Q237-K239 PolarHBondContact O-N 3.01Å; K239-K249 WeakPolarHBondContact O-CD 3.32Å; K239-K249 PolarHBondContact O-NZ 3.32Å; K239-G266 PolarHBondContact NZ-O 3.05Å; K239-A267 HydrophobicContact CB-CB 4.47Å
240	L	98.8	Very high	98.5	Very high	7 Å²	7	52.3 Å²	52.3	4%	0.037	25%	0.246	C	C	.	.	H	α-helix	trans	-83.9	-20.9	-177.7	-64.5	169.3	0	0	0	113.8	R236 Q237 H238 L248 K249 A267 A282	R236-L240 HydrophobicContact CG-CD1 4.03Å; R236-L240 WeakPolarHBondContact O-CG 3.36Å; R236-L240 PolarHBondContact O-N 3.2Å; R236-L240 VanDerWaalsContact O-N 3.13Å; Q237-L240 PolarHBondContact O-N 3.37Å; H238-L240 PolarHBondContact O-N 2.96Å; L240-L248 HydrophobicContact CB-CD2 4.23Å; L240-K249 WeakPolarHBondContact O-CB 3.44Å; L240-K249 PolarHBondContact O-N 2.77Å; L240-A267 HydrophobicContact CD2-CB 4.3Å; L240-A282 HydrophobicContact CD2-CB 4.21Å
241	R	98.8	Very high	98.4	Very high	1 Å²	1	54.2 Å²	54.2	0%	0.004	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-76.4	144.1	178.9	-79	173.9	62.1	-176.3	2.1	112.4	Q237 H238 F243 L248 K249 D321 E322 F325	Q237-R241 HydrophobicContact CG-CG 4.42Å; Q237-R241 WeakPolarHBondContact O-CG 3.37Å; Q237-R241 PolarHBondContact O-N 3.13Å; H238-R241 PolarHBondContact O-N 3.18Å; R241-F243 VanDerWaalsContact C-N 3.34Å; R241-F243 HydrophobicContact CB-CD2 4.11Å; R241-F243 HydrophobicContact CB-CE1 4.41Å; R241-F243 HydrophobicContact CB-CE2 3.98Å; R241-F243 HydrophobicContact CB-CG 4.41Å; R241-F243 HydrophobicContact CB-CZ 4.14Å; R241-F243 VanDerWaalsContact CZ-CE1 3.47Å; R241-L248 HydrophobicContact CG-CD2 4.28Å; R241-K249 WeakPolarHBondContact O-CE 3.35Å; R241-K249 WeakPolarHBondContact O-CG 3.46Å; R241-D321 IonicContact CZ-OD2 3.14Å; R241-D321 IonicContact NE-OD2 3.6Å; R241-D321 IonicContact NH2-OD2 2.99Å; R241-D321 PolarHBondContact NH2-OD2 3.4Å; R241-E322 IonicContact CZ-OE2 3.73Å; R241-E322 IonicContact NH1-OE1 2.7Å; R241-E322 IonicContact NH1-OE2 2.7Å; R241-E322 PolarHBondContact NH1-OE2 3.12Å; R241-E322 IonicContact NH2-OE2 2.68Å; R241-E322 PolarHBondContact NH2-OE2 3.15Å; R241-F325 HydrophobicContact CG-CD2 3.85Å; R241-F325 HydrophobicContact CG-CE2 3.57Å; R241-F325 HydrophobicContact CG-CG 4.5Å; R241-F325 HydrophobicContact CG-CZ 4Å
242	L	98.8	Very high	98.4	Very high	67 Å²	67	59.3 Å²	59.3	35%	0.351	28%	0.28	S	S	.	.			trans	-76.6	-25.9	173.4	-172.6	61.6	0	0	0	111.6	K244 K247 K249	L242-K244 HydrophobicContact CD2-CB 4.1Å; L242-K244 HydrophobicContact CG-CB 4.01Å; L242-K244 PolarHBondContact O-N 2.94Å; L242-K247 HydrophobicContact CB-CB 4.23Å; L242-K247 VanDerWaalsContact CB-O 3.27Å; L242-K247 WeakPolarHBondContact CB-O 3.25Å; L242-K247 HydrophobicContact CD2-CB 4.07Å; L242-K247 PolarHBondContact N-O 2.92Å; L242-K249 HydrophobicContact CB-CG 4.28Å; L242-K249 HydrophobicContact CD1-CG 4.09Å
243	F	98.8	Very high	98.3	Very high	103 Å²	103	58.4 Å²	58.4	45%	0.452	28%	0.277	S	S	.	.	S	Bend	trans	56.1	32.4	-170.2	-64	-76.7	0	0	0	113.2	H238 R241 D321	H238-F243 HydrophobicContact CB-CE2 4.15Å; H238-F243 HydrophobicContact CB-CZ 3.72Å; H238-F243 AromaticContact CD2-CZ 3.83Å; H238-F243 AromaticContact CG-CZ 3.72Å; H238-F243 WeakPolarHBondContact O-CE2 3.19Å; R241-F243 VanDerWaalsContact C-N 3.34Å; R241-F243 HydrophobicContact CB-CD2 4.11Å; R241-F243 HydrophobicContact CB-CE1 4.41Å; R241-F243 HydrophobicContact CB-CE2 3.98Å; R241-F243 HydrophobicContact CB-CG 4.41Å; R241-F243 HydrophobicContact CB-CZ 4.14Å; R241-F243 VanDerWaalsContact CZ-CE1 3.47Å; F243-D321 VanDerWaalsContact C-CG 3.46Å; F243-D321 WeakPolarHBondContact CA-OD1 3.49Å; F243-D321 WeakPolarHBondContact CA-OD2 3.38Å
244	K	98.8	Very high	98.1	Very high	129 Å²	129	61.5 Å²	61.5	56%	0.561	29%	0.293	S	S	*	.	S	Bend	trans	-142.7	129.7	171.8	-175.4	-179.4	175	-177.2	0	108.8	L242 G246 K247 D321	L242-K244 HydrophobicContact CD2-CB 4.1Å; L242-K244 HydrophobicContact CG-CB 4.01Å; L242-K244 PolarHBondContact O-N 2.94Å; K244-G246 PolarHBondContact O-N 3.02Å; K244-G246 VanDerWaalsContact O-N 3.09Å; K244-K247 WeakPolarHBondContact O-CB 3.26Å; K244-K247 PolarHBondContact O-N 3.41Å; K244-D321 VanDerWaalsContact CA-OD1 3.3Å; K244-D321 WeakPolarHBondContact CA-OD1 3.43Å; K244-D321 PolarHBondContact N-OD1 3.05Å
245	D	98.8	Very high	97.8	Very high	57 Å²	57	58.7 Å²	58.7	31%	0.305	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	27.4	177.8	-54.4	-41.6	0	0	0	113.9	K247 C309 D321	D245-K247 HydrophobicContact CB-CG 4.48Å; D245-K247 PolarHBondContact O-N 3Å; D245-C309 WeakPolarHBondContact O-CB 3.11Å; D245-D321 PolarHBondContact N-OD1 3.12Å
246	G	98.8	Very high	97.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	6.5	-178.8	0	0	0	0	0	114.9	K244 H305 C309 D321 F325	K244-G246 PolarHBondContact O-N 3.02Å; K244-G246 VanDerWaalsContact O-N 3.09Å; G246-H305 PolarHBondContact O-NE2 3.03Å; G246-C309 VanDerWaalsContact C-SG 3.6Å; G246-C309 PolarHBondContact O-SG 2.78Å; G246-D321 WeakPolarHBondContact CA-O 3.43Å; G246-D321 WeakPolarHBondContact CA-OD1 3.42Å; G246-D321 PolarHBondContact N-OD1 2.88Å; G246-F325 WeakPolarHBondContact O-CD2 3.44Å
247	K	98.9	Very high	97.7	Very high	33 Å²	33	55.1 Å²	55.1	14%	0.143	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-81.1	158.9	-167.9	-68.3	-175.3	177	-175.4	0	113.9	L242 K244 D245 N306 C309 D310	L242-K247 HydrophobicContact CB-CB 4.23Å; L242-K247 VanDerWaalsContact CB-O 3.27Å; L242-K247 WeakPolarHBondContact CB-O 3.25Å; L242-K247 HydrophobicContact CD2-CB 4.07Å; L242-K247 PolarHBondContact N-O 2.92Å; K244-K247 WeakPolarHBondContact O-CB 3.26Å; K244-K247 PolarHBondContact O-N 3.41Å; D245-K247 HydrophobicContact CB-CG 4.48Å; D245-K247 PolarHBondContact O-N 3Å; K247-N306 WeakPolarHBondContact CA-OD1 3.15Å; K247-N306 WeakPolarHBondContact CB-OD1 3.39Å; K247-N306 HydrophobicContact CD-CB 4.31Å; K247-N306 HydrophobicContact CG-CB 4.3Å; K247-C309 HydrophobicContact CG-CB 3.99Å; K247-D310 WeakPolarHBondContact CE-OD1 3.23Å; K247-D310 IonicContact NZ-OD1 3.79Å; K247-D310 PolarHBondContact NZ-OD1 2.76Å; K247-D310 IonicContact NZ-OD2 3.89Å; K247-D310 PolarHBondContact NZ-OD2 2.86Å
248	L	98.9	Very high	97.6	Very high	6 Å²	6	54.9 Å²	54.9	3%	0.031	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-83.2	147.8	162.2	-71.6	171.2	0	0	0	110.4	I229 Y230 L240 R241 L302 H305 N306 F325	I229-L248 HydrophobicContact CG2-CD1 3.95Å; Y230-L248 HydrophobicContact CD1-CD1 4.23Å; Y230-L248 HydrophobicContact CD1-CD2 4.23Å; Y230-L248 HydrophobicContact CE1-CD1 3.93Å; Y230-L248 HydrophobicContact CE1-CG 4.43Å; L240-L248 HydrophobicContact CB-CD2 4.23Å; R241-L248 HydrophobicContact CG-CD2 4.28Å; L248-L302 HydrophobicContact CB-CG 4.39Å; L248-L302 HydrophobicContact CD1-CG 4.47Å; L248-H305 HydrophobicContact CD1-CB 4.3Å; L248-H305 VanDerWaalsContact CG-CD2 3.49Å; L248-H305 WeakPolarHBondContact CG-CD2 3.47Å; L248-N306 PolarHBondContact N-OD1 2.92Å; L248-N306 PolarHBondContact O-ND2 3.27Å; L248-F325 HydrophobicContact CD2-CE2 4.13Å
249	K	98.9	Very high	97.6	Very high	60 Å²	60	51.3 Å²	51.3	26%	0.261	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-61.1	151.2	170.5	-73.5	175.9	-178.7	159.7	0	110.1	K239 L240 R241 L242 P260 V265	K239-K249 WeakPolarHBondContact O-CD 3.32Å; K239-K249 PolarHBondContact O-NZ 3.32Å; L240-K249 WeakPolarHBondContact O-CB 3.44Å; L240-K249 PolarHBondContact O-N 2.77Å; R241-K249 WeakPolarHBondContact O-CE 3.35Å; R241-K249 WeakPolarHBondContact O-CG 3.46Å; L242-K249 HydrophobicContact CB-CG 4.28Å; L242-K249 HydrophobicContact CD1-CG 4.09Å; K249-P260 HydrophobicContact CB-CB 4.17Å; K249-P260 HydrophobicContact CB-CG 3.94Å; K249-P260 WeakPolarHBondContact O-CD 3.44Å; K249-V265 HydrophobicContact CD-CG1 3.64Å
250	Y	98.6	Very high	97.6	Very high	96 Å²	96	48.4 Å²	48.4	38%	0.376	25%	0.247	S	C	.	.			trans	-155.6	171.4	179.6	64.2	-86.2	0	0	0	109.8	I252 V257 Y258	Y250-I252 HydrophobicContact CD2-CG1 4.35Å; Y250-I252 HydrophobicContact CE2-CD1 4.39Å; Y250-I252 HydrophobicContact CE2-CG1 4.1Å; Y250-V257 HydrophobicContact CD2-CG1 3.89Å; Y250-V257 HydrophobicContact CD2-CG2 4.25Å; Y250-V257 HydrophobicContact CE2-CG2 4.47Å; Y250-V257 HydrophobicContact CG-CG1 3.97Å; Y250-Y258 CarbonylContact C-O 3.54Å; Y250-Y258 WeakPolarHBondContact CA-O 3.48Å; Y250-Y258 WeakPolarHBondContact CB-O 3.34Å
251	Q	97.9	Very high	97.6	Very high	40 Å²	40	48.5 Å²	48.5	19%	0.187	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	163.6	167.7	68.1	-175.6	-58.5	0	0	110	V253 V257 Y258 P259 L261	Q251-V253 HydrophobicContact CG-CG2 4.12Å; Q251-V257 WeakPolarHBondContact O-CA 3.4Å; Q251-Y258 PolarHBondContact N-O 3.25Å; Q251-Y258 PolarHBondContact O-N 2.98Å; Q251-P259 WeakPolarHBondContact CG-O 3.44Å; Q251-P259 PolarHBondContact NE2-O 2.67Å; Q251-L261 VanDerWaalsContact NE2-CD2 3.28Å; Q251-L261 VanDerWaalsContact NE2-CG 3.31Å
252	I	97.1	Very high	97.6	Very high	113 Å²	113	49.8 Å²	49.8	58%	0.579	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.4	122.2	174.8	-58.7	178.6	0	0	0	108.4	Y250 E256	Y250-I252 HydrophobicContact CD2-CG1 4.35Å; Y250-I252 HydrophobicContact CE2-CD1 4.39Å; Y250-I252 HydrophobicContact CE2-CG1 4.1Å; I252-E256 CarbonylContact C-O 3.57Å; I252-E256 VanDerWaalsContact CA-O 3.29Å; I252-E256 WeakPolarHBondContact CA-O 3.17Å
253	V	94.7	Very high	97.5	Very high	37 Å²	37	52.7 Å²	52.7	22%	0.224	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	124.9	174.3	-175.9	0	0	0	0	107.3	Q251 G255 E256 Y258 T411	Q251-V253 HydrophobicContact CG-CG2 4.12Å; V253-G255 PolarHBondContact O-N 3.06Å; V253-G255 VanDerWaalsContact O-N 3.16Å; V253-E256 PolarHBondContact N-O 2.69Å; V253-E256 PolarHBondContact O-N 2.79Å; V253-Y258 HydrophobicContact CB-CD2 3.72Å; V253-Y258 HydrophobicContact CB-CE2 3.98Å; V253-Y258 HydrophobicContact CG2-CD2 4.09Å; V253-T411 HydrophobicContact CG1-CG2 4.18Å
254	N	91.9	Very high	97.4	Very high	140 Å²	140	52.6 Å²	52.6	75%	0.749	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	35.5	-178.3	-57.2	-25.1	0	0	0	113.7	E256	N254-E256 VanDerWaalsContact C-N 3.28Å; N254-E256 PolarHBondContact O-N 3.07Å
255	G	92.9	Very high	97.3	Very high	48 Å²	48	47.2 Å²	47.2	50%	0.495	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	0.2	-179.1	0	0	0	0	0	115.3	V253 Q569	V253-G255 PolarHBondContact O-N 3.06Å; V253-G255 VanDerWaalsContact O-N 3.16Å; G255-Q569 PolarHBondContact O-NE2 3.17Å
256	E	95.6	Very high	97.1	Very high	28 Å²	28	46.7 Å²	46.7	13%	0.131	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	148.8	179.6	-80.3	-158	-158.8	0	0	113.3	I252 V253 N254 Y258 R303 Q569	I252-E256 CarbonylContact C-O 3.57Å; I252-E256 VanDerWaalsContact CA-O 3.29Å; I252-E256 WeakPolarHBondContact CA-O 3.17Å; V253-E256 PolarHBondContact N-O 2.69Å; V253-E256 PolarHBondContact O-N 2.79Å; N254-E256 VanDerWaalsContact C-N 3.28Å; N254-E256 PolarHBondContact O-N 3.07Å; E256-Y258 HydrophobicContact CB-CD2 4.3Å; E256-Y258 HydrophobicContact CB-CE2 3.63Å; E256-Y258 WeakPolarHBondContact O-CD2 3.16Å; E256-R303 IonicContact OE2-CZ 3.74Å; E256-R303 IonicContact OE2-NH1 2.95Å; E256-R303 PolarHBondContact OE2-NH1 2.87Å; E256-R303 IonicContact OE2-NH2 2.88Å; E256-R303 PolarHBondContact OE2-NH2 3.42Å; E256-Q569 HydrophobicContact CG-CG 4.16Å
257	V	98.1	Very high	97	Very high	40 Å²	40	46.8 Å²	46.8	24%	0.242	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	125.1	178.8	174.7	0	0	0	0	110.6	Y250 Q251 T299 L302 R303	Y250-V257 HydrophobicContact CD2-CG1 3.89Å; Y250-V257 HydrophobicContact CD2-CG2 4.25Å; Y250-V257 HydrophobicContact CE2-CG2 4.47Å; Y250-V257 HydrophobicContact CG-CG1 3.97Å; Q251-V257 WeakPolarHBondContact O-CA 3.4Å; V257-T299 WeakPolarHBondContact O-CG2 3.13Å; V257-L302 HydrophobicContact CG1-CD2 3.78Å; V257-R303 HydrophobicContact CB-CG 4.17Å; V257-R303 HydrophobicContact CG1-CG 4.09Å; V257-R303 PolarHBondContact O-NE 3.03Å; V257-R303 PolarHBondContact O-NH2 3.39Å
258	Y	98.4	Very high	96.8	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.016	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	161.1	174.8	-70.6	-76.8	0	0	0	111.4	Y250 Q251 V253 E256 T299 M410 T411 I415	Y250-Y258 CarbonylContact C-O 3.54Å; Y250-Y258 WeakPolarHBondContact CA-O 3.48Å; Y250-Y258 WeakPolarHBondContact CB-O 3.34Å; Q251-Y258 PolarHBondContact N-O 3.25Å; Q251-Y258 PolarHBondContact O-N 2.98Å; V253-Y258 HydrophobicContact CB-CD2 3.72Å; V253-Y258 HydrophobicContact CB-CE2 3.98Å; V253-Y258 HydrophobicContact CG2-CD2 4.09Å; E256-Y258 HydrophobicContact CB-CD2 4.3Å; E256-Y258 HydrophobicContact CB-CE2 3.63Å; E256-Y258 WeakPolarHBondContact O-CD2 3.16Å; Y258-T299 HydrophobicContact CD1-CG2 3.93Å; Y258-T299 HydrophobicContact CE1-CG2 4.38Å; Y258-M410 HydrophobicContact CD1-CE 3.14Å; Y258-M410 HydrophobicContact CE1-CE 3.44Å; Y258-M410 VanDerWaalsContact CE1-CE 3.44Å; Y258-M410 HydrophobicContact CG-CE 4.24Å; Y258-M410 PolarHBondContact OH-O 3.04Å; Y258-M410 VanDerWaalsContact OH-O 3.13Å; Y258-T411 HydrophobicContact CE1-CG2 4.37Å; Y258-T411 HydrophobicContact CE2-CG2 4.28Å; Y258-I415 HydrophobicContact CE1-CD1 3.92Å; Y258-I415 HydrophobicContact CE1-CG1 3.96Å
259	P	98.6	Very high	96.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-55.2	149.9	172	-23.4	33.8	0	0	0	111.5	Q251 F281 V283 M295 T299 L302	Q251-P259 WeakPolarHBondContact CG-O 3.44Å; Q251-P259 PolarHBondContact NE2-O 2.67Å; P259-F281 HydrophobicContact CB-CB 4.24Å; P259-F281 VanDerWaalsContact O-CD1 3.27Å; P259-F281 WeakPolarHBondContact O-CD1 3.42Å; P259-V283 HydrophobicContact CB-CG1 3.63Å; P259-V283 HydrophobicContact CG-CG1 3.74Å; P259-M295 HydrophobicContact CG-SD 3.94Å; P259-T299 VanDerWaalsContact CD-OG1 3.28Å; P259-T299 WeakPolarHBondContact CD-OG1 3.15Å; P259-L302 HydrophobicContact CB-CD1 4.16Å; P259-L302 HydrophobicContact CG-CD1 4.26Å
260	P	98.4	Very high	96.7	Very high	7 Å²	7	54.4 Å²	54.4	5%	0.045	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-67.8	167.3	-178.7	32.5	-36.4	0	0	0	110.8	K249 V265 F281 A282	K249-P260 HydrophobicContact CB-CB 4.17Å; K249-P260 HydrophobicContact CB-CG 3.94Å; K249-P260 WeakPolarHBondContact O-CD 3.44Å; P260-V265 HydrophobicContact CB-CG1 3.74Å; P260-V265 HydrophobicContact CG-CG1 3.79Å; P260-F281 CarbonylContact O-C 3.58Å; P260-F281 WeakPolarHBondContact O-CA 3.21Å; P260-A282 HydrophobicContact CG-CB 4.46Å; P260-A282 PolarHBondContact O-N 2.94Å
261	L	98.1	Very high	96.6	Very high	9 Å²	9	51.1 Å²	51.1	5%	0.047	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-84.4	149.9	176	-59.3	172.6	0	0	0	111.6	Q251 K263 D264 V265 S278 R280 F281	Q251-L261 VanDerWaalsContact NE2-CD2 3.28Å; Q251-L261 VanDerWaalsContact NE2-CG 3.31Å; L261-K263 HydrophobicContact CB-CG 3.98Å; L261-K263 HydrophobicContact CD1-CD 4.35Å; L261-K263 VanDerWaalsContact CD1-CE 3.47Å; L261-K263 PolarHBondContact O-N 3.35Å; L261-D264 WeakPolarHBondContact CB-OD2 3.4Å; L261-D264 PolarHBondContact O-N 3.11Å; L261-V265 PolarHBondContact O-N 2.86Å; L261-S278 WeakPolarHBondContact CD2-O 3.27Å; L261-R280 CarbonylContact C-O 3.57Å; L261-R280 VanDerWaalsContact CA-O 3.31Å; L261-R280 WeakPolarHBondContact CA-O 3.41Å; L261-F281 HydrophobicContact CD2-CD1 3.96Å; L261-F281 HydrophobicContact CD2-CE1 4.13Å
262	V	97.9	Very high	96.5	Very high	29 Å²	29	50.3 Å²	50.3	18%	0.176	28%	0.279	C	S	.	.	H	α-helix	trans	-53.6	-43.6	174.6	170.9	0	0	0	0	111.4	D264 V265 G266 M269 R280 A282	V262-D264 PolarHBondContact O-N 3.43Å; V262-V265 PolarHBondContact O-N 3.41Å; V262-G266 WeakPolarHBondContact O-CA 3.14Å; V262-G266 PolarHBondContact O-N 3.26Å; V262-M269 HydrophobicContact CG2-CB 3.8Å; V262-M269 HydrophobicContact CG2-CG 3.44Å; V262-M269 VanDerWaalsContact CG2-CG 3.44Å; V262-R280 HydrophobicContact CB-CB 4.13Å; V262-R280 HydrophobicContact CG2-CB 3.9Å; V262-R280 WeakPolarHBondContact CG2-O 3.44Å; V262-R280 PolarHBondContact N-O 3.42Å; V262-A282 HydrophobicContact CG2-CB 4.06Å
263	K	96.8	Very high	96.4	Very high	127 Å²	127	51 Å²	51	55%	0.552	29%	0.29	S	S	*	.	H	α-helix	trans	-61.4	-26.4	-180	71	179.5	-170.4	-177.8	0	113.5	L261 D277	L261-K263 HydrophobicContact CB-CG 3.98Å; L261-K263 HydrophobicContact CD1-CD 4.35Å; L261-K263 VanDerWaalsContact CD1-CE 3.47Å; L261-K263 PolarHBondContact O-N 3.35Å; K263-D277 HydrophobicContact CD-CB 4.45Å
264	D	96.9	Very high	96.2	Very high	101 Å²	101	56.2 Å²	56.2	54%	0.54	31%	0.312	S	S	.	.	H	α-helix	trans	-89.5	-26.2	-176.4	-56.9	-33	0	0	0	111.9	L261 V262	L261-D264 WeakPolarHBondContact CB-OD2 3.4Å; L261-D264 PolarHBondContact O-N 3.11Å; V262-D264 PolarHBondContact O-N 3.43Å
265	V	96.8	Very high	96.4	Very high	16 Å²	16	49.8 Å²	49.8	10%	0.097	28%	0.278	C	S	.	.	H	α-helix	trans	-115.1	-18.5	-174.1	-53.7	0	0	0	0	114.8	K249 P260 L261 V262 A267 A282	K249-V265 HydrophobicContact CD-CG1 3.64Å; P260-V265 HydrophobicContact CB-CG1 3.74Å; P260-V265 HydrophobicContact CG-CG1 3.79Å; L261-V265 PolarHBondContact O-N 2.86Å; V262-V265 PolarHBondContact O-N 3.41Å; V265-A267 VanDerWaalsContact C-N 3.25Å; V265-A267 HydrophobicContact CG2-CB 3.87Å; V265-A267 PolarHBondContact O-N 3.37Å; V265-A282 HydrophobicContact CG2-CB 3.38Å
266	G	95.3	Very high	96.5	Very high	46 Å²	46	50.3 Å²	50.3	47%	0.474	27%	0.272	S	S	.	.			trans	65.5	23.8	-180	0	0	0	0	0	114.6	K239 V262	K239-G266 PolarHBondContact NZ-O 3.05Å; V262-G266 WeakPolarHBondContact O-CA 3.14Å; V262-G266 PolarHBondContact O-N 3.26Å
267	A	95.5	Very high	96.4	Very high	2 Å²	2	52.9 Å²	52.9	2%	0.017	29%	0.287	C	S	.	.			trans	-84.3	127.4	173	0	0	0	0	0	109.7	K239 L240 V265 M269 A282	K239-A267 HydrophobicContact CB-CB 4.47Å; L240-A267 HydrophobicContact CD2-CB 4.3Å; V265-A267 VanDerWaalsContact C-N 3.25Å; V265-A267 HydrophobicContact CG2-CB 3.87Å; V265-A267 PolarHBondContact O-N 3.37Å; A267-M269 PolarHBondContact O-N 3.43Å; A267-A282 HydrophobicContact CB-CB 4.3Å
268	E	95.6	Very high	96.1	Very high	140 Å²	140	54.6 Å²	54.6	65%	0.654	30%	0.301	S	S	*	.			trans	-62.6	132	-179	-173.3	178.4	179.2	0	0	111.1	R236	R236-E268 PolarHBondContact NH1-O 3.06Å; R236-E268 PolarHBondContact NH2-O 3.4Å
269	M	97.8	Very high	95.9	Very high	24 Å²	24	57.5 Å²	57.5	12%	0.118	31%	0.314	C	S	.	.			trans	-136.5	146	177.4	-68.2	-67.5	-62.6	0	0	109.4	R236 V262 A267 Y271 F281 A282 V283 H285 E286	R236-M269 PolarHBondContact NH2-SD 2.93Å; V262-M269 HydrophobicContact CG2-CB 3.8Å; V262-M269 HydrophobicContact CG2-CG 3.44Å; V262-M269 VanDerWaalsContact CG2-CG 3.44Å; A267-M269 PolarHBondContact O-N 3.43Å; M269-Y271 HydrophobicContact CB-CD2 3.63Å; M269-Y271 HydrophobicContact CB-CE2 3.76Å; M269-Y271 HydrophobicContact CE-CE2 4.13Å; M269-Y271 HydrophobicContact CG-CE2 4.28Å; M269-Y271 PolarHBondContact O-N 3.47Å; M269-Y271 VanDerWaalsContact O-N 3.17Å; M269-F281 WeakPolarHBondContact CE-O 3.49Å; M269-A282 HydrophobicContact CG-CB 4.5Å; M269-V283 HydrophobicContact CE-CG2 3.79Å; M269-V283 HydrophobicContact SD-CG2 4.38Å; M269-H285 WeakPolarHBondContact CE-O 3.35Å; M269-E286 WeakPolarHBondContact CE-O 3.21Å
270	H	97.1	Very high	95.8	Very high	96 Å²	96	59.9 Å²	59.9	44%	0.444	32%	0.323	S	S	.	.			trans	-84.8	86.7	175.7	-60.9	164.6	0	0	0	110	E286	H270-E286 WeakPolarHBondContact CE1-CG 3.46Å; H270-E286 PolarHBondContact N-O 2.84Å
271	Y	97.4	Very high	95.8	Very high	27 Å²	27	59.9 Å²	59.9	11%	0.106	32%	0.323	C	S	.	.			trans	-115.6	141.7	168.3	-76.7	-81.9	0	0	0	110.6	M269 V275 R280 F281 G289 F405 T407	M269-Y271 HydrophobicContact CB-CD2 3.63Å; M269-Y271 HydrophobicContact CB-CE2 3.76Å; M269-Y271 HydrophobicContact CE-CE2 4.13Å; M269-Y271 HydrophobicContact CG-CE2 4.28Å; M269-Y271 PolarHBondContact O-N 3.47Å; M269-Y271 VanDerWaalsContact O-N 3.17Å; Y271-V275 HydrophobicContact CD1-CB 4.25Å; Y271-V275 HydrophobicContact CD1-CG1 3.92Å; Y271-V275 HydrophobicContact CD1-CG2 4.28Å; Y271-V275 HydrophobicContact CE1-CG1 4.4Å; Y271-R280 HydrophobicContact CD1-CG 4.21Å; Y271-R280 HydrophobicContact CD2-CB 3.85Å; Y271-R280 HydrophobicContact CD2-CG 3.79Å; Y271-R280 HydrophobicContact CE2-CB 3.88Å; Y271-R280 HydrophobicContact CE2-CG 4.24Å; Y271-R280 HydrophobicContact CG-CB 4.31Å; Y271-R280 HydrophobicContact CG-CG 3.76Å; Y271-F281 WeakPolarHBondContact CE2-O 3.49Å; Y271-F281 PolarHBondContact OH-N 3Å; Y271-F281 PolarHBondContact OH-O 3.18Å; Y271-G289 VanDerWaalsContact CZ-CA 3.43Å; Y271-G289 VanDerWaalsContact OH-CA 3.22Å; Y271-G289 WeakPolarHBondContact OH-CA 3.07Å; Y271-F405 HydrophobicContact CD1-CD1 4.4Å; Y271-T407 HydrophobicContact CE1-CG2 3.83Å
272	P	96.1	Very high	95.8	Very high	23 Å²	23	59.5 Å²	59.5	15%	0.149	32%	0.321	C	S	.	.			trans	-59.7	149.9	168.8	-24.4	33.8	0	0	0	111.8	H274 V275 F405	P272-H274 WeakPolarHBondContact CB-CE1 3.36Å; P272-H274 VanDerWaalsContact CB-ND1 3.34Å; P272-H274 WeakPolarHBondContact CB-ND1 3.37Å; P272-H274 PolarHBondContact O-N 3.04Å; P272-V275 HydrophobicContact CB-CG2 4.41Å; P272-V275 HydrophobicContact CG-CG2 4.39Å; P272-V275 PolarHBondContact O-N 3.21Å; P272-V275 VanDerWaalsContact O-N 3.08Å; P272-F405 HydrophobicContact CG-CB 4.28Å; P272-F405 HydrophobicContact CG-CD1 3.93Å; P272-F405 HydrophobicContact CG-CD2 3.45Å; P272-F405 VanDerWaalsContact CG-CD2 3.45Å; P272-F405 HydrophobicContact CG-CE1 4.06Å; P272-F405 HydrophobicContact CG-CE2 3.61Å; P272-F405 HydrophobicContact CG-CG 3.63Å; P272-F405 HydrophobicContact CG-CZ 3.91Å
273	P	93.8	Very high	95.9	Very high	126 Å²	126	58.5 Å²	58.5	82%	0.818	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-25.9	-179.7	-26.9	34.8	0	0	0	114.8	R280	P273-R280 PolarHBondContact O-NH2 2.75Å
274	H	92	Very high	95.9	Very high	147 Å²	147	52.5 Å²	52.5	68%	0.681	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-17.3	-179	66.3	-100.7	0	0	0	114.3	P272 P276	P272-H274 WeakPolarHBondContact CB-CE1 3.36Å; P272-H274 VanDerWaalsContact CB-ND1 3.34Å; P272-H274 WeakPolarHBondContact CB-ND1 3.37Å; P272-H274 PolarHBondContact O-N 3.04Å; H274-P276 WeakPolarHBondContact O-CD 3.21Å
275	V	95.3	Very high	96	Very high	6 Å²	6	48.1 Å²	48.1	4%	0.036	27%	0.265	C	S	.	.	S	Bend	trans	-74.4	122.6	176.9	179.8	0	0	0	0	108.2	Y271 P272 Q279 R280 F405	Y271-V275 HydrophobicContact CD1-CB 4.25Å; Y271-V275 HydrophobicContact CD1-CG1 3.92Å; Y271-V275 HydrophobicContact CD1-CG2 4.28Å; Y271-V275 HydrophobicContact CE1-CG1 4.4Å; P272-V275 HydrophobicContact CB-CG2 4.41Å; P272-V275 HydrophobicContact CG-CG2 4.39Å; P272-V275 PolarHBondContact O-N 3.21Å; P272-V275 VanDerWaalsContact O-N 3.08Å; V275-Q279 HydrophobicContact CG1-CB 4.18Å; V275-R280 HydrophobicContact CG1-CG 4.01Å; V275-R280 PolarHBondContact O-NE 2.81Å; V275-R280 PolarHBondContact O-NH2 3.08Å; V275-F405 HydrophobicContact CG2-CB 4.15Å
276	P	94.6	Very high	96.1	Very high	58 Å²	58	48.9 Å²	48.9	38%	0.377	27%	0.268	S	S	.	.			trans	-62.7	147.3	-178.5	-22.8	33.4	0	0	0	113.4	H274 S278 Q279 R280	H274-P276 WeakPolarHBondContact O-CD 3.21Å; P276-S278 PolarHBondContact O-N 2.91Å; P276-S278 VanDerWaalsContact O-N 3.14Å; P276-Q279 HydrophobicContact CB-CG 4.42Å; P276-Q279 WeakPolarHBondContact O-CA 3.35Å; P276-Q279 WeakPolarHBondContact O-CB 3Å; P276-Q279 PolarHBondContact O-N 3.35Å; P276-R280 WeakPolarHBondContact O-CG 3.49Å; P276-R280 PolarHBondContact O-N 3.05Å
277	D	93.6	Very high	96.2	Very high	83 Å²	83	47.9 Å²	47.9	44%	0.444	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-59.6	-27.1	178.4	-73.6	-25.4	0	0	0	113.7	K263 Q279 R280	K263-D277 HydrophobicContact CD-CB 4.45Å; D277-Q279 PolarHBondContact O-N 3.02Å; D277-R280 PolarHBondContact O-N 2.95Å; D277-R280 WeakPolarHBondContact OD1-CD 3.48Å; D277-R280 IonicContact OD1-CZ 3.89Å; D277-R280 IonicContact OD1-NE 2.84Å; D277-R280 PolarHBondContact OD1-NE 3.11Å; D277-R280 IonicContact OD1-NH1 2.8Å; D277-R280 PolarHBondContact OD1-NH1 3Å
278	S	92.4	Very high	96.3	Very high	75 Å²	75	47.8 Å²	47.8	52%	0.524	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-68	-11.1	173.2	52.4	0	0	0	0	114.1	L261 P276	L261-S278 WeakPolarHBondContact CD2-O 3.27Å; P276-S278 PolarHBondContact O-N 2.91Å; P276-S278 VanDerWaalsContact O-N 3.14Å
279	Q	93.7	Very high	96.4	Very high	65 Å²	65	41.2 Å²	41.2	30%	0.304	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-117.3	1.5	-176.7	-62.4	-179.7	3.3	0	0	112.4	V275 P276 D277 F281 T407 T408	V275-Q279 HydrophobicContact CG1-CB 4.18Å; P276-Q279 HydrophobicContact CB-CG 4.42Å; P276-Q279 WeakPolarHBondContact O-CA 3.35Å; P276-Q279 WeakPolarHBondContact O-CB 3Å; P276-Q279 PolarHBondContact O-N 3.35Å; D277-Q279 PolarHBondContact O-N 3.02Å; Q279-F281 PolarHBondContact O-N 3.32Å; Q279-T407 WeakPolarHBondContact O-CB 3.49Å; Q279-T407 PolarHBondContact O-OG1 2.77Å; Q279-T408 HydrophobicContact CG-CG2 4.23Å
280	R	97.1	Very high	96.4	Very high	50 Å²	50	43 Å²	43	19%	0.189	23%	0.234	C	C	.	.			trans	-92.5	98.1	-179.4	-65.1	177.5	-171.4	175.9	-5.8	110.2	L261 V262 Y271 P273 V275 P276 D277	L261-R280 CarbonylContact C-O 3.57Å; L261-R280 VanDerWaalsContact CA-O 3.31Å; L261-R280 WeakPolarHBondContact CA-O 3.41Å; V262-R280 HydrophobicContact CB-CB 4.13Å; V262-R280 HydrophobicContact CG2-CB 3.9Å; V262-R280 WeakPolarHBondContact CG2-O 3.44Å; V262-R280 PolarHBondContact N-O 3.42Å; Y271-R280 HydrophobicContact CD1-CG 4.21Å; Y271-R280 HydrophobicContact CD2-CB 3.85Å; Y271-R280 HydrophobicContact CD2-CG 3.79Å; Y271-R280 HydrophobicContact CE2-CB 3.88Å; Y271-R280 HydrophobicContact CE2-CG 4.24Å; Y271-R280 HydrophobicContact CG-CB 4.31Å; Y271-R280 HydrophobicContact CG-CG 3.76Å; P273-R280 PolarHBondContact O-NH2 2.75Å; V275-R280 HydrophobicContact CG1-CG 4.01Å; V275-R280 PolarHBondContact O-NE 2.81Å; V275-R280 PolarHBondContact O-NH2 3.08Å; P276-R280 WeakPolarHBondContact O-CG 3.49Å; P276-R280 PolarHBondContact O-N 3.05Å; D277-R280 PolarHBondContact O-N 2.95Å; D277-R280 WeakPolarHBondContact OD1-CD 3.48Å; D277-R280 IonicContact OD1-CZ 3.89Å; D277-R280 IonicContact OD1-NE 2.84Å; D277-R280 PolarHBondContact OD1-NE 3.11Å; D277-R280 IonicContact OD1-NH1 2.8Å; D277-R280 PolarHBondContact OD1-NH1 3Å
281	F	98.1	Very high	96.5	Very high	7 Å²	7	39.1 Å²	39.1	3%	0.031	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-75.1	146	174.4	-65.3	-54.6	0	0	0	111.6	P259 P260 L261 M269 Y271 Q279 M295 T407 M410 T411	P259-F281 HydrophobicContact CB-CB 4.24Å; P259-F281 VanDerWaalsContact O-CD1 3.27Å; P259-F281 WeakPolarHBondContact O-CD1 3.42Å; P260-F281 CarbonylContact O-C 3.58Å; P260-F281 WeakPolarHBondContact O-CA 3.21Å; L261-F281 HydrophobicContact CD2-CD1 3.96Å; L261-F281 HydrophobicContact CD2-CE1 4.13Å; M269-F281 WeakPolarHBondContact CE-O 3.49Å; Y271-F281 WeakPolarHBondContact CE2-O 3.49Å; Y271-F281 PolarHBondContact OH-N 3Å; Y271-F281 PolarHBondContact OH-O 3.18Å; Q279-F281 PolarHBondContact O-N 3.32Å; F281-M295 HydrophobicContact CB-CE 3.74Å; F281-M295 HydrophobicContact CB-SD 3.8Å; F281-M295 HydrophobicContact CD2-CE 4.48Å; F281-M295 HydrophobicContact CD2-CG 3.89Å; F281-M295 HydrophobicContact CD2-SD 4.26Å; F281-M295 HydrophobicContact CG-SD 4.35Å; F281-T407 HydrophobicContact CD2-CG2 4Å; F281-T407 HydrophobicContact CE2-CG2 4.38Å; F281-M410 HydrophobicContact CD2-CE 4.03Å; F281-M410 HydrophobicContact CD2-SD 3.79Å; F281-M410 HydrophobicContact CE2-CE 3.53Å; F281-M410 HydrophobicContact CE2-CG 4.13Å; F281-M410 HydrophobicContact CE2-SD 3.41Å; F281-M410 WeakPolarHBondContact CE2-SD 3.38Å; F281-M410 HydrophobicContact CZ-CE 4Å; F281-M410 HydrophobicContact CZ-SD 4.38Å; F281-T411 HydrophobicContact CZ-CG2 3.9Å
282	A	98.5	Very high	96.5	Very high	1 Å²	1	38 Å²	38	1%	0.008	21%	0.213	C	C	.	.			trans	-110.2	123.2	176.7	0	0	0	0	0	110.7	L240 P260 V262 V265 A267 M269	L240-A282 HydrophobicContact CD2-CB 4.21Å; P260-A282 HydrophobicContact CG-CB 4.46Å; P260-A282 PolarHBondContact O-N 2.94Å; V262-A282 HydrophobicContact CG2-CB 4.06Å; V265-A282 HydrophobicContact CG2-CB 3.38Å; A267-A282 HydrophobicContact CB-CB 4.3Å; M269-A282 HydrophobicContact CG-CB 4.5Å
283	V	98.6	Very high	96.6	Very high	9 Å²	9	36.9 Å²	36.9	6%	0.055	21%	0.206	C	C	.	.			trans	-139.3	173.6	178.5	-64.5	0	0	0	0	110.4	R236 P259 M269 H285 F288 M295 A298	R236-V283 PolarHBondContact NE-O 3.44Å; R236-V283 PolarHBondContact NH2-O 3.01Å; P259-V283 HydrophobicContact CB-CG1 3.63Å; P259-V283 HydrophobicContact CG-CG1 3.74Å; M269-V283 HydrophobicContact CE-CG2 3.79Å; M269-V283 HydrophobicContact SD-CG2 4.38Å; V283-H285 VanDerWaalsContact C-N 3.33Å; V283-H285 WeakPolarHBondContact CG2-O 3.39Å; V283-H285 PolarHBondContact O-N 3.39Å; V283-F288 HydrophobicContact CG2-CB 3.75Å; V283-F288 HydrophobicContact CG2-CD2 4.24Å; V283-F288 HydrophobicContact CG2-CG 4.41Å; V283-M295 HydrophobicContact CG1-CE 4.33Å; V283-M295 HydrophobicContact CG1-SD 3.66Å; V283-M295 HydrophobicContact CG2-CE 4.11Å; V283-M295 HydrophobicContact CG2-SD 4.37Å; V283-A298 HydrophobicContact CB-CB 4.37Å; V283-A298 HydrophobicContact CG1-CB 3.9Å
284	G	98.6	Very high	96.9	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-56.4	-42.3	-178.5	0	0	0	0	0	114	H228 I229 R236	H228-G284 CarbonylContact O-C 3.4Å; H228-G284 VanDerWaalsContact O-CA 3.25Å; H228-G284 WeakPolarHBondContact O-CA 3.34Å; H228-G284 PolarHBondContact O-N 3.31Å; I229-G284 VanDerWaalsContact O-CA 3.29Å; I229-G284 WeakPolarHBondContact O-CA 3.39Å; I229-G284 PolarHBondContact O-N 2.74Å; R236-G284 WeakPolarHBondContact CD-O 3.31Å; R236-G284 PolarHBondContact NE-O 3.29Å
285	H	98.6	Very high	97.2	Very high	9 Å²	9	24 Å²	24	4%	0.042	14%	0.135	C	C	.	.	S	Bend	trans	-93.3	119.6	177.6	-163.7	-73.5	0	0	0	112.5	H203 H228 M269 V283 A287 F288	H203-H285 PolarHBondContact O-CD2 3.22Å; H203-H285 PolarHBondContact O-NE2 2.88Å; H228-H285 HydrophobicContact CB-CB 3.98Å; H228-H285 PolarHBondContact O-N 2.88Å; M269-H285 WeakPolarHBondContact CE-O 3.35Å; V283-H285 VanDerWaalsContact C-N 3.33Å; V283-H285 WeakPolarHBondContact CG2-O 3.39Å; V283-H285 PolarHBondContact O-N 3.39Å; H285-A287 PolarHBondContact ND1-N 2.92Å; H285-A287 VanDerWaalsContact ND1-N 3.19Å; H285-A287 PolarHBondContact O-N 3.47Å; H285-A287 VanDerWaalsContact O-N 3.12Å; H285-F288 HydrophobicContact CB-CD1 3.59Å; H285-F288 HydrophobicContact CB-CD2 3.71Å; H285-F288 HydrophobicContact CB-CE1 3.58Å; H285-F288 HydrophobicContact CB-CE2 3.68Å; H285-F288 HydrophobicContact CB-CG 3.67Å; H285-F288 HydrophobicContact CB-CZ 3.63Å; H285-F288 AromaticContact CD2-CE1 3.87Å; H285-F288 AromaticContact CG-CD1 3.55Å; H285-F288 AromaticContact CG-CE1 3.37Å; H285-F288 AromaticContact CG-CZ 3.83Å; H285-F288 AromaticContact ND1-CD1 3.43Å; H285-F288 WeakPolarHBondContact ND1-CD1 3.49Å; H285-F288 AromaticContact ND1-CE1 3.57Å; H285-F288 PolarHBondContact O-N 3.36Å
286	E	98.1	Very high	97.3	Very high	32 Å²	32	23.7 Å²	23.7	15%	0.15	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-26.4	-173.7	62.9	-81.3	-171	0	0	114.5	K207 M269 H270	K207-E286 WeakPolarHBondContact CE-OE1 3.46Å; K207-E286 WeakPolarHBondContact CE-OE2 3.43Å; K207-E286 VanDerWaalsContact NZ-CD 3.32Å; K207-E286 IonicContact NZ-OE1 2.96Å; K207-E286 PolarHBondContact NZ-OE1 3.48Å; K207-E286 VanDerWaalsContact NZ-OE1 3.14Å; K207-E286 IonicContact NZ-OE2 2.7Å; K207-E286 PolarHBondContact NZ-OE2 3.44Å; M269-E286 WeakPolarHBondContact CE-O 3.21Å; H270-E286 WeakPolarHBondContact CE1-CG 3.46Å; H270-E286 PolarHBondContact N-O 2.84Å
287	A	97.8	Very high	97.5	Very high	26 Å²	26	21 Å²	21	22%	0.215	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-0	-179.6	0	0	0	0	0	115.6	H285 G289 L290	H285-A287 PolarHBondContact ND1-N 2.92Å; H285-A287 VanDerWaalsContact ND1-N 3.19Å; H285-A287 PolarHBondContact O-N 3.47Å; H285-A287 VanDerWaalsContact O-N 3.12Å; A287-G289 PolarHBondContact O-N 2.84Å; A287-L290 WeakPolarHBondContact O-CB 3.43Å; A287-L290 PolarHBondContact O-N 3.09Å
288	F	98.4	Very high	97.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-71.7	-10.5	-173.8	-78.8	7	0	0	0	114.5	H200 H203 H228 V283 H285 L290 L294 M295 A298	H200-F288 AromaticContact CD2-CD2 3.89Å; H200-F288 AromaticContact CD2-CE2 3.26Å; H200-F288 WeakPolarHBondContact CD2-CE2 3.44Å; H200-F288 AromaticContact CD2-CZ 3.85Å; H200-F288 AromaticContact NE2-CE2 3.53Å; H203-F288 HydrophobicContact CB-CE1 3.65Å; H203-F288 HydrophobicContact CB-CZ 4.03Å; H228-F288 HydrophobicContact CB-CE2 3.79Å; H228-F288 HydrophobicContact CB-CZ 3.76Å; H228-F288 AromaticContact CD2-CE2 3.92Å; V283-F288 HydrophobicContact CG2-CB 3.75Å; V283-F288 HydrophobicContact CG2-CD2 4.24Å; V283-F288 HydrophobicContact CG2-CG 4.41Å; H285-F288 HydrophobicContact CB-CD1 3.59Å; H285-F288 HydrophobicContact CB-CD2 3.71Å; H285-F288 HydrophobicContact CB-CE1 3.58Å; H285-F288 HydrophobicContact CB-CE2 3.68Å; H285-F288 HydrophobicContact CB-CG 3.67Å; H285-F288 HydrophobicContact CB-CZ 3.63Å; H285-F288 AromaticContact CD2-CE1 3.87Å; H285-F288 AromaticContact CG-CD1 3.55Å; H285-F288 AromaticContact CG-CE1 3.37Å; H285-F288 AromaticContact CG-CZ 3.83Å; H285-F288 AromaticContact ND1-CD1 3.43Å; H285-F288 WeakPolarHBondContact ND1-CD1 3.49Å; H285-F288 AromaticContact ND1-CE1 3.57Å; H285-F288 PolarHBondContact O-N 3.36Å; F288-L290 PolarHBondContact O-N 3.39Å; F288-L294 HydrophobicContact CB-CB 4.16Å; F288-L294 HydrophobicContact CD1-CB 4.22Å; F288-L294 HydrophobicContact CD1-CD1 3.78Å; F288-L294 HydrophobicContact CD1-CD2 4.27Å; F288-L294 HydrophobicContact CD1-CG 4.33Å; F288-L294 HydrophobicContact CE1-CD1 4.26Å; F288-L294 HydrophobicContact CE1-CD2 4.12Å; F288-L294 HydrophobicContact CG-CB 4.08Å; F288-L294 HydrophobicContact CG-CD1 4.43Å; F288-L294 HydrophobicContact CZ-CD2 4.49Å; F288-M295 HydrophobicContact CB-CE 4.34Å; F288-A298 HydrophobicContact CD2-CB 4.23Å
289	G	97.4	Very high	98.1	Very high	2 Å²	2	13.6 Å²	13.6	2%	0.021	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-66.3	-8.2	166.1	0	0	0	0	0	114.8	Y271 A287	Y271-G289 VanDerWaalsContact CZ-CA 3.43Å; Y271-G289 VanDerWaalsContact OH-CA 3.22Å; Y271-G289 WeakPolarHBondContact OH-CA 3.07Å; A287-G289 PolarHBondContact O-N 2.84Å
290	L	98	Very high	98.3	Very high	61 Å²	61	10.5 Å²	10.5	32%	0.319	6%	0.056	S	C	.	.	G	3₁₀ helix	trans	-64.8	-40.4	-176.4	179	66.2	0	0	0	113.7	A287 F288 V404 F405	A287-L290 WeakPolarHBondContact O-CB 3.43Å; A287-L290 PolarHBondContact O-N 3.09Å; F288-L290 PolarHBondContact O-N 3.39Å; L290-V404 HydrophobicContact CD1-CG1 3.81Å; L290-V404 CarbonylContact O-C 3.58Å; L290-V404 WeakPolarHBondContact O-CA 3.31Å; L290-F405 HydrophobicContact CB-CE1 4.23Å; L290-F405 HydrophobicContact CD1-CD1 4.39Å; L290-F405 HydrophobicContact CD1-CD2 4.33Å; L290-F405 HydrophobicContact CD1-CE1 3.75Å; L290-F405 HydrophobicContact CD1-CE2 3.67Å; L290-F405 HydrophobicContact CD1-CZ 3.35Å; L290-F405 PolarHBondContact O-N 3.21Å
291	V	98.2	Very high	98.4	Very high	15 Å²	15	8.3 Å²	8.3	9%	0.091	5%	0.047	C	C	.	.			trans	-144	143.3	-179.1	-73.9	0	0	0	0	111.6	F196 G293 L294 M295 F403 V404	F196-V291 HydrophobicContact CE1-CG2 4.15Å; V291-G293 PolarHBondContact O-N 3.33Å; V291-L294 HydrophobicContact CG2-CB 4.11Å; V291-L294 HydrophobicContact CG2-CD1 3.7Å; V291-L294 HydrophobicContact CG2-CG 3.62Å; V291-L294 PolarHBondContact O-N 2.98Å; V291-L294 VanDerWaalsContact O-N 3.12Å; V291-M295 PolarHBondContact O-N 3.2Å; V291-F403 HydrophobicContact CB-CD1 4.22Å; V291-F403 HydrophobicContact CB-CE1 3.79Å; V291-F403 HydrophobicContact CG1-CD1 3.97Å; V291-F403 HydrophobicContact CG1-CE1 3.97Å; V291-V404 HydrophobicContact CG1-CG2 4.11Å
292	P	98.3	Very high	98.4	Very high	2 Å²	2	8.4 Å²	8.4	1%	0.013	5%	0.048	C	C	.	.	H	α-helix	trans	-52.2	-37	177.3	-31.8	35.6	0	0	0	114.7	L294 M295 M296 F403 N406 V409	P292-L294 VanDerWaalsContact C-N 3.31Å; P292-L294 PolarHBondContact O-N 2.88Å; P292-M295 PolarHBondContact O-N 3.32Å; P292-M296 WeakPolarHBondContact O-CB 3.04Å; P292-M296 PolarHBondContact O-N 3Å; P292-F403 HydrophobicContact CB-CD2 4.49Å; P292-F403 HydrophobicContact CB-CE2 3.68Å; P292-F403 HydrophobicContact CB-CZ 3.75Å; P292-F403 WeakPolarHBondContact CD-O 3.21Å; P292-F403 HydrophobicContact CG-CD2 3.83Å; P292-F403 HydrophobicContact CG-CE1 4.36Å; P292-F403 HydrophobicContact CG-CE2 3.5Å; P292-F403 HydrophobicContact CG-CG 4.38Å; P292-F403 HydrophobicContact CG-CZ 3.81Å; P292-N406 VanDerWaalsContact CG-O 3.31Å; P292-N406 WeakPolarHBondContact CG-O 3.41Å; P292-V409 HydrophobicContact CB-CB 4.27Å; P292-V409 HydrophobicContact CB-CG1 4.18Å; P292-V409 HydrophobicContact CG-CB 3.86Å; P292-V409 HydrophobicContact CG-CG1 4.11Å; P292-V409 HydrophobicContact CG-CG2 4.2Å
293	G	98.3	Very high	98.5	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-61.8	-34.6	179.8	0	0	0	0	0	114	V291 Y297	V291-G293 PolarHBondContact O-N 3.33Å; G293-Y297 WeakPolarHBondContact O-CD2 3.27Å; G293-Y297 PolarHBondContact O-N 3.15Å
294	L	98.7	Very high	98.5	Very high	2 Å²	2	8.9 Å²	8.9	1%	0.01	5%	0.049	C	C	.	.	H	α-helix	trans	-71.2	-44.7	174.7	-72.3	176.8	0	0	0	111.3	Q199 H200 F288 V291 P292 M296 Y297 A298	Q199-L294 HydrophobicContact CB-CD2 3.9Å; Q199-L294 HydrophobicContact CG-CD1 4.43Å; Q199-L294 HydrophobicContact CG-CD2 3.81Å; Q199-L294 HydrophobicContact CG-CG 4.44Å; H200-L294 HydrophobicContact CB-CD2 3.81Å; F288-L294 HydrophobicContact CB-CB 4.16Å; F288-L294 HydrophobicContact CD1-CB 4.22Å; F288-L294 HydrophobicContact CD1-CD1 3.78Å; F288-L294 HydrophobicContact CD1-CD2 4.27Å; F288-L294 HydrophobicContact CD1-CG 4.33Å; F288-L294 HydrophobicContact CE1-CD1 4.26Å; F288-L294 HydrophobicContact CE1-CD2 4.12Å; F288-L294 HydrophobicContact CG-CB 4.08Å; F288-L294 HydrophobicContact CG-CD1 4.43Å; F288-L294 HydrophobicContact CZ-CD2 4.49Å; V291-L294 HydrophobicContact CG2-CB 4.11Å; V291-L294 HydrophobicContact CG2-CD1 3.7Å; V291-L294 HydrophobicContact CG2-CG 3.62Å; V291-L294 PolarHBondContact O-N 2.98Å; V291-L294 VanDerWaalsContact O-N 3.12Å; P292-L294 VanDerWaalsContact C-N 3.31Å; P292-L294 PolarHBondContact O-N 2.88Å; L294-M296 VanDerWaalsContact C-N 3.3Å; L294-M296 PolarHBondContact O-N 3.22Å; L294-Y297 PolarHBondContact O-N 3.37Å; L294-A298 PolarHBondContact O-N 3.38Å
295	M	98.4	Very high	98.5	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.005	5%	0.049	C	C	.	.	H	α-helix	trans	-69.6	-28.8	179.5	-164.4	61.1	65.9	0	0	112.4	P259 F281 V283 F288 V291 P292 A298 T299 M410	P259-M295 HydrophobicContact CG-SD 3.94Å; F281-M295 HydrophobicContact CB-CE 3.74Å; F281-M295 HydrophobicContact CB-SD 3.8Å; F281-M295 HydrophobicContact CD2-CE 4.48Å; F281-M295 HydrophobicContact CD2-CG 3.89Å; F281-M295 HydrophobicContact CD2-SD 4.26Å; F281-M295 HydrophobicContact CG-SD 4.35Å; V283-M295 HydrophobicContact CG1-CE 4.33Å; V283-M295 HydrophobicContact CG1-SD 3.66Å; V283-M295 HydrophobicContact CG2-CE 4.11Å; V283-M295 HydrophobicContact CG2-SD 4.37Å; F288-M295 HydrophobicContact CB-CE 4.34Å; V291-M295 PolarHBondContact O-N 3.2Å; P292-M295 PolarHBondContact O-N 3.32Å; M295-A298 PolarHBondContact O-N 3.32Å; M295-A298 HydrophobicContact SD-CB 4.26Å; M295-T299 WeakPolarHBondContact O-CB 3.45Å; M295-T299 PolarHBondContact O-N 3.46Å; M295-T299 PolarHBondContact O-OG1 3.27Å; M295-M410 HydrophobicContact CB-SD 3.67Å; M295-M410 HydrophobicContact CG-CE 3.75Å; M295-M410 HydrophobicContact CG-SD 3.21Å; M295-M410 WeakPolarHBondContact CG-SD 3.49Å
296	M	98.5	Very high	98.5	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-58.6	-53.7	170.6	179.5	-164	71.1	0	0	110.5	M193 P292 L294 A298 T299 I300 I415 L418 V419 F422	M193-M296 HydrophobicContact CE-CE 4.13Å; M193-M296 HydrophobicContact SD-CE 3.62Å; P292-M296 WeakPolarHBondContact O-CB 3.04Å; P292-M296 PolarHBondContact O-N 3Å; L294-M296 VanDerWaalsContact C-N 3.3Å; L294-M296 PolarHBondContact O-N 3.22Å; M296-A298 PolarHBondContact O-N 3.02Å; M296-T299 WeakPolarHBondContact O-CB 3.46Å; M296-T299 PolarHBondContact O-N 2.77Å; M296-I300 HydrophobicContact CG-CD1 4.09Å; M296-I300 WeakPolarHBondContact O-CG1 3.09Å; M296-I300 PolarHBondContact O-N 3.3Å; M296-I415 HydrophobicContact CB-CD1 4.43Å; M296-I415 HydrophobicContact CG-CD1 4.2Å; M296-I415 HydrophobicContact CG-CG2 4.11Å; M296-L418 HydrophobicContact CB-CD1 4.35Å; M296-L418 HydrophobicContact CG-CB 4.35Å; M296-L418 HydrophobicContact CG-CD1 4.39Å; M296-L418 HydrophobicContact SD-CB 3.73Å; M296-V419 HydrophobicContact SD-CG2 3.83Å; M296-F422 HydrophobicContact CE-CD2 3.96Å; M296-F422 HydrophobicContact CE-CE2 4.42Å; M296-F422 HydrophobicContact SD-CD2 3.67Å; M296-F422 HydrophobicContact SD-CE2 3.9Å
297	Y	98.8	Very high	98.6	Very high	1 Å²	1	10.6 Å²	10.6	0%	0.004	6%	0.055	C	C	.	.	H	α-helix	trans	-62.9	-41.6	176.4	-84.9	-67.3	0	0	0	112.5	M193 F196 F197 H200 G293 L294 T299 I300 W301	M193-Y297 HydrophobicContact CE-CE1 3.74Å; M193-Y297 HydrophobicContact CE-CE2 4.48Å; M193-Y297 WeakPolarHBondContact CE-OH 3.15Å; M193-Y297 VanDerWaalsContact CG-OH 3.29Å; M193-Y297 WeakPolarHBondContact CG-OH 3.38Å; M193-Y297 PolarHBondContact O-OH 2.82Å; M193-Y297 HydrophobicContact SD-CE1 4.5Å; M193-Y297 HydrophobicContact SD-CE2 4.22Å; M193-Y297 PolarHBondContact SD-OH 3.06Å; F196-Y297 VanDerWaalsContact C-CE2 3.48Å; F196-Y297 HydrophobicContact CB-CD2 4.01Å; F196-Y297 HydrophobicContact CB-CE2 3.74Å; F197-Y297 HydrophobicContact CB-CE1 4.39Å; F197-Y297 HydrophobicContact CB-CE2 3.99Å; F197-Y297 WeakPolarHBondContact CB-OH 3.34Å; F197-Y297 HydrophobicContact CD2-CD1 4.34Å; F197-Y297 AromaticContact CD2-CE1 3.67Å; F197-Y297 HydrophobicContact CD2-CE1 3.67Å; F197-Y297 AromaticContact CD2-CZ 3.86Å; H200-Y297 HydrophobicContact CB-CD2 4.29Å; H200-Y297 HydrophobicContact CB-CG 4.31Å; H200-Y297 WeakPolarHBondContact CD2-CB 3.33Å; G293-Y297 WeakPolarHBondContact O-CD2 3.27Å; G293-Y297 PolarHBondContact O-N 3.15Å; L294-Y297 PolarHBondContact O-N 3.37Å; Y297-T299 PolarHBondContact O-N 3.38Å; Y297-I300 PolarHBondContact O-N 2.9Å; Y297-W301 PolarHBondContact O-N 2.85Å
298	A	98.8	Very high	98.6	Very high	2 Å²	2	9.4 Å²	9.4	2%	0.017	4%	0.044	C	C	.	.	H	α-helix	trans	-59.8	-36.7	176.4	0	0	0	0	0	112	H200 V283 F288 L294 M295 M296 L302	H200-A298 PolarHBondContact NE2-N 2.88Å; V283-A298 HydrophobicContact CB-CB 4.37Å; V283-A298 HydrophobicContact CG1-CB 3.9Å; F288-A298 HydrophobicContact CD2-CB 4.23Å; L294-A298 PolarHBondContact O-N 3.38Å; M295-A298 PolarHBondContact O-N 3.32Å; M295-A298 HydrophobicContact SD-CB 4.26Å; M296-A298 PolarHBondContact O-N 3.02Å; A298-L302 VanDerWaalsContact O-CB 3.25Å; A298-L302 WeakPolarHBondContact O-CB 3.45Å; A298-L302 PolarHBondContact O-N 3.33Å
299	T	98.8	Very high	98.6	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-67.3	-47.1	174.6	-57.3	0	0	0	0	111.5	V257 Y258 P259 M295 M296 Y297 W301 L302 R303 I415	V257-T299 WeakPolarHBondContact O-CG2 3.13Å; Y258-T299 HydrophobicContact CD1-CG2 3.93Å; Y258-T299 HydrophobicContact CE1-CG2 4.38Å; P259-T299 VanDerWaalsContact CD-OG1 3.28Å; P259-T299 WeakPolarHBondContact CD-OG1 3.15Å; M295-T299 WeakPolarHBondContact O-CB 3.45Å; M295-T299 PolarHBondContact O-N 3.46Å; M295-T299 PolarHBondContact O-OG1 3.27Å; M296-T299 WeakPolarHBondContact O-CB 3.46Å; M296-T299 PolarHBondContact O-N 2.77Å; Y297-T299 PolarHBondContact O-N 3.38Å; T299-W301 PolarHBondContact O-N 3.22Å; T299-L302 PolarHBondContact O-N 3.39Å; T299-R303 VanDerWaalsContact O-CG 3.31Å; T299-R303 WeakPolarHBondContact O-CG 3.34Å; T299-R303 PolarHBondContact O-N 3.49Å; T299-I415 HydrophobicContact CG2-CD1 4.05Å; T299-I415 HydrophobicContact CG2-CG1 3.97Å
300	I	98.8	Very high	98.7	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-59	-47.2	178.2	-68.4	165.6	0	0	0	110.7	M296 Y297 R303 E304 I415 V419 L563 V564	M296-I300 HydrophobicContact CG-CD1 4.09Å; M296-I300 WeakPolarHBondContact O-CG1 3.09Å; M296-I300 PolarHBondContact O-N 3.3Å; Y297-I300 PolarHBondContact O-N 2.9Å; I300-R303 PolarHBondContact O-N 3.46Å; I300-E304 PolarHBondContact O-N 3.41Å; I300-I415 HydrophobicContact CD1-CG2 3.99Å; I300-I415 HydrophobicContact CG1-CG2 3.77Å; I300-V419 HydrophobicContact CD1-CG2 4.05Å; I300-L563 HydrophobicContact CG2-CD1 3.84Å; I300-L563 HydrophobicContact CG2-CD2 4.17Å; I300-L563 HydrophobicContact CG2-CG 3.65Å; I300-V564 HydrophobicContact CD1-CG2 4.46Å
301	W	98.9	Very high	98.7	Very high	4 Å²	4	11.7 Å²	11.7	2%	0.015	6%	0.058	C	C	.	.	H	α-helix	trans	-69.8	-32.3	179.9	-76.7	111.9	0	0	0	113.7	H200 I229 Y297 T299 E304 H305 L332 E335 T336 I339 L563	H200-W301 AromaticContact CE1-CD1 3.33Å; H200-W301 AromaticContact CE1-NE1 3.78Å; I229-W301 HydrophobicContact CD1-CB 3.58Å; I229-W301 HydrophobicContact CD1-CG 4.17Å; I229-W301 HydrophobicContact CG1-CB 4.08Å; Y297-W301 PolarHBondContact O-N 2.85Å; T299-W301 PolarHBondContact O-N 3.22Å; W301-E304 PolarHBondContact O-N 3.46Å; W301-H305 WeakPolarHBondContact O-CB 3.49Å; W301-H305 PolarHBondContact O-N 2.79Å; W301-L332 HydrophobicContact CE3-CD2 3.9Å; W301-L332 HydrophobicContact CE3-CG 4.12Å; W301-L332 HydrophobicContact CZ3-CB 4.41Å; W301-L332 HydrophobicContact CZ3-CD2 4.4Å; W301-L332 HydrophobicContact CZ3-CG 4.1Å; W301-E335 HydrophobicContact CH2-CB 4.36Å; W301-E335 HydrophobicContact CZ3-CB 4.36Å; W301-T336 WeakPolarHBondContact CH2-OG1 3.2Å; W301-I339 HydrophobicContact CH2-CD1 4.2Å; W301-L563 HydrophobicContact CD2-CD1 4.43Å; W301-L563 HydrophobicContact CD2-CD2 4.28Å; W301-L563 HydrophobicContact CE3-CD1 4.11Å; W301-L563 HydrophobicContact CH2-CD1 4.36Å; W301-L563 HydrophobicContact CH2-CD2 3.78Å; W301-L563 HydrophobicContact CZ2-CD2 3.48Å; W301-L563 VanDerWaalsContact CZ2-CD2 3.48Å; W301-L563 HydrophobicContact CZ3-CD1 4.07Å; W301-L563 HydrophobicContact CZ3-CD2 4.29Å
302	L	98.9	Very high	98.8	Very high	10 Å²	10	11 Å²	11	5%	0.052	5%	0.054	C	C	.	.	H	α-helix	trans	-64.4	-44.1	171.4	176.4	155.7	0	0	0	111.2	L248 V257 P259 A298 T299 H305 N306	L248-L302 HydrophobicContact CB-CG 4.39Å; L248-L302 HydrophobicContact CD1-CG 4.47Å; V257-L302 HydrophobicContact CG1-CD2 3.78Å; P259-L302 HydrophobicContact CB-CD1 4.16Å; P259-L302 HydrophobicContact CG-CD1 4.26Å; A298-L302 VanDerWaalsContact O-CB 3.25Å; A298-L302 WeakPolarHBondContact O-CB 3.45Å; A298-L302 PolarHBondContact O-N 3.33Å; T299-L302 PolarHBondContact O-N 3.39Å; L302-H305 PolarHBondContact O-N 3.44Å; L302-N306 PolarHBondContact O-N 3.2Å; L302-N306 VanDerWaalsContact O-N 3.12Å
303	R	98.9	Very high	98.8	Very high	20 Å²	20	13.9 Å²	13.9	8%	0.075	7%	0.066	C	C	.	.	H	α-helix	trans	-62.2	-45	176	-69.2	176.2	-172.3	-173.3	2.7	110.5	E256 V257 T299 I300 H305 N306 R307 N567	E256-R303 IonicContact OE2-CZ 3.74Å; E256-R303 IonicContact OE2-NH1 2.95Å; E256-R303 PolarHBondContact OE2-NH1 2.87Å; E256-R303 IonicContact OE2-NH2 2.88Å; E256-R303 PolarHBondContact OE2-NH2 3.42Å; V257-R303 HydrophobicContact CB-CG 4.17Å; V257-R303 HydrophobicContact CG1-CG 4.09Å; V257-R303 PolarHBondContact O-NE 3.03Å; V257-R303 PolarHBondContact O-NH2 3.39Å; T299-R303 VanDerWaalsContact O-CG 3.31Å; T299-R303 WeakPolarHBondContact O-CG 3.34Å; T299-R303 PolarHBondContact O-N 3.49Å; I300-R303 PolarHBondContact O-N 3.46Å; R303-H305 PolarHBondContact O-N 3.24Å; R303-N306 PolarHBondContact O-N 2.52Å; R303-R307 WeakPolarHBondContact O-CB 3.19Å; R303-R307 PolarHBondContact O-N 3.1Å; R303-N567 HydrophobicContact CB-CB 3.83Å; R303-N567 VanDerWaalsContact CB-OD1 3.31Å; R303-N567 WeakPolarHBondContact CB-OD1 3.31Å; R303-N567 WeakPolarHBondContact CD-O 3.42Å; R303-N567 PolarHBondContact NH1-O 2.69Å; R303-N567 PolarHBondContact O-OD1 2.82Å
304	E	98.9	Very high	98.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.8	-43.3	178.1	-177.1	55.4	-154.6	0	0	111.7	I300 W301 N306 R307 V308 L332 L563 N567	I300-E304 PolarHBondContact O-N 3.41Å; W301-E304 PolarHBondContact O-N 3.46Å; E304-N306 PolarHBondContact O-N 2.97Å; E304-R307 PolarHBondContact O-N 3.35Å; E304-R307 IonicContact OE1-CZ 2.66Å; E304-R307 IonicContact OE1-NE 3.51Å; E304-R307 PolarHBondContact OE1-NE 3.46Å; E304-R307 IonicContact OE1-NH2 2.71Å; E304-R307 PolarHBondContact OE1-NH2 3Å; E304-R307 IonicContact OE2-CZ 3.72Å; E304-R307 IonicContact OE2-NE 3.37Å; E304-R307 PolarHBondContact OE2-NE 3.18Å; E304-R307 IonicContact OE2-NH2 2.68Å; E304-V308 HydrophobicContact CG-CG2 4.39Å; E304-V308 WeakPolarHBondContact O-CG2 3.4Å; E304-V308 PolarHBondContact O-N 3.49Å; E304-V308 VanDerWaalsContact OE1-CG2 3.24Å; E304-V308 WeakPolarHBondContact OE1-CG2 3.43Å; E304-L332 HydrophobicContact CG-CD1 4.2Å; E304-L332 HydrophobicContact CG-CD2 4.45Å; E304-L332 HydrophobicContact CG-CG 4.23Å; E304-L563 HydrophobicContact CB-CD1 3.75Å; E304-L563 HydrophobicContact CG-CD1 3.78Å; E304-N567 WeakPolarHBondContact CA-OD1 3.5Å; E304-N567 PolarHBondContact N-OD1 3.45Å; E304-N567 VanDerWaalsContact N-OD1 3.1Å; E304-N567 PolarHBondContact OE2-ND2 3.11Å
305	H	98.9	Very high	98.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-56.9	-49.7	176	176.6	75.1	0	0	0	111.7	Y230 G246 L248 W301 L302 R303 R307 V308 C309 F325 L332	Y230-H305 AromaticContact CE1-CE1 3.75Å; Y230-H305 AromaticContact CE1-ND1 3.64Å; Y230-H305 AromaticContact CZ-ND1 3.74Å; Y230-H305 PolarHBondContact OH-ND1 3.22Å; G246-H305 PolarHBondContact O-NE2 3.03Å; L248-H305 HydrophobicContact CD1-CB 4.3Å; L248-H305 VanDerWaalsContact CG-CD2 3.49Å; L248-H305 WeakPolarHBondContact CG-CD2 3.47Å; W301-H305 WeakPolarHBondContact O-CB 3.49Å; W301-H305 PolarHBondContact O-N 2.79Å; L302-H305 PolarHBondContact O-N 3.44Å; R303-H305 PolarHBondContact O-N 3.24Å; H305-R307 VanDerWaalsContact C-N 3.33Å; H305-R307 PolarHBondContact O-N 2.74Å; H305-V308 PolarHBondContact O-N 2.92Å; H305-C309 PolarHBondContact O-N 3.23Å; H305-C309 PolarHBondContact O-SG 2.86Å; H305-F325 AromaticContact CE1-CD2 3.66Å; H305-F325 AromaticContact CE1-CE2 3.96Å; H305-F325 AromaticContact NE2-CD2 3.6Å; H305-F325 AromaticContact NE2-CE2 3.94Å; H305-L332 HydrophobicContact CB-CD2 3.68Å
306	N	98.9	Very high	98.8	Very high	13 Å²	13	26.7 Å²	26.7	7%	0.07	13%	0.13	C	C	.	.	H	α-helix	trans	-67	-35	-179.2	-74.5	-3.5	0	0	0	112	K247 L248 L302 R303 E304 C309 D310	K247-N306 WeakPolarHBondContact CA-OD1 3.15Å; K247-N306 WeakPolarHBondContact CB-OD1 3.39Å; K247-N306 HydrophobicContact CD-CB 4.31Å; K247-N306 HydrophobicContact CG-CB 4.3Å; L248-N306 PolarHBondContact N-OD1 2.92Å; L248-N306 PolarHBondContact O-ND2 3.27Å; L302-N306 PolarHBondContact O-N 3.2Å; L302-N306 VanDerWaalsContact O-N 3.12Å; R303-N306 PolarHBondContact O-N 2.52Å; E304-N306 PolarHBondContact O-N 2.97Å; N306-C309 WeakPolarHBondContact O-CB 3.37Å; N306-C309 PolarHBondContact O-N 2.9Å; N306-D310 PolarHBondContact O-N 3.18Å
307	R	98.9	Very high	98.8	Very high	64 Å²	64	30.5 Å²	30.5	24%	0.242	15%	0.154	C	C	.	.	H	α-helix	trans	-63.9	-44	173.6	-168.9	-161.1	72.4	72.8	1.2	111.7	R303 E304 H305 C309 D310 V311	R303-R307 WeakPolarHBondContact O-CB 3.19Å; R303-R307 PolarHBondContact O-N 3.1Å; E304-R307 PolarHBondContact O-N 3.35Å; E304-R307 IonicContact OE1-CZ 2.66Å; E304-R307 IonicContact OE1-NE 3.51Å; E304-R307 PolarHBondContact OE1-NE 3.46Å; E304-R307 IonicContact OE1-NH2 2.71Å; E304-R307 PolarHBondContact OE1-NH2 3Å; E304-R307 IonicContact OE2-CZ 3.72Å; E304-R307 IonicContact OE2-NE 3.37Å; E304-R307 PolarHBondContact OE2-NE 3.18Å; E304-R307 IonicContact OE2-NH2 2.68Å; H305-R307 VanDerWaalsContact C-N 3.33Å; H305-R307 PolarHBondContact O-N 2.74Å; R307-C309 VanDerWaalsContact C-N 3.34Å; R307-D310 WeakPolarHBondContact O-CB 3.3Å; R307-D310 PolarHBondContact O-N 3.25Å; R307-V311 WeakPolarHBondContact O-CG2 3.43Å; R307-V311 PolarHBondContact O-N 2.85Å; R307-V311 VanDerWaalsContact O-N 3.08Å
308	V	98.9	Very high	98.7	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.3	-38.8	176	173.7	0	0	0	0	110.9	E304 H305 D310 V311 L312 I331 L332 I554	E304-V308 HydrophobicContact CG-CG2 4.39Å; E304-V308 WeakPolarHBondContact O-CG2 3.4Å; E304-V308 PolarHBondContact O-N 3.49Å; E304-V308 VanDerWaalsContact OE1-CG2 3.24Å; E304-V308 WeakPolarHBondContact OE1-CG2 3.43Å; H305-V308 PolarHBondContact O-N 2.92Å; V308-D310 VanDerWaalsContact C-N 3.31Å; V308-D310 PolarHBondContact O-N 3.26Å; V308-V311 PolarHBondContact O-N 3.39Å; V308-L312 HydrophobicContact CG1-CD1 4.16Å; V308-L312 HydrophobicContact CG1-CG 4.29Å; V308-L312 WeakPolarHBondContact O-CB 3.25Å; V308-L312 WeakPolarHBondContact O-CG 3.39Å; V308-L312 PolarHBondContact O-N 3.03Å; V308-I331 HydrophobicContact CG1-CB 4.17Å; V308-I331 HydrophobicContact CG1-CD1 3.56Å; V308-I331 HydrophobicContact CG1-CG1 4.47Å; V308-I331 HydrophobicContact CG1-CG2 4.04Å; V308-I331 HydrophobicContact CG2-CG2 4.31Å; V308-L332 HydrophobicContact CB-CD1 4.1Å; V308-L332 HydrophobicContact CG1-CD1 4.43Å; V308-L332 HydrophobicContact CG2-CD1 3.79Å; V308-I554 HydrophobicContact CG2-CD1 4.37Å; V308-I554 HydrophobicContact CG2-CG2 4.49Å
309	C	98.9	Very high	98.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-58.4	-42.2	172.4	-70.6	0	0	0	0	112.2	D245 G246 K247 H305 N306 R307 L312 K313 S328	D245-C309 WeakPolarHBondContact O-CB 3.11Å; G246-C309 VanDerWaalsContact C-SG 3.6Å; G246-C309 PolarHBondContact O-SG 2.78Å; K247-C309 HydrophobicContact CG-CB 3.99Å; H305-C309 PolarHBondContact O-N 3.23Å; H305-C309 PolarHBondContact O-SG 2.86Å; N306-C309 WeakPolarHBondContact O-CB 3.37Å; N306-C309 PolarHBondContact O-N 2.9Å; R307-C309 VanDerWaalsContact C-N 3.34Å; C309-L312 PolarHBondContact O-N 3.33Å; C309-K313 WeakPolarHBondContact O-CB 3.4Å; C309-K313 PolarHBondContact O-N 3.26Å; C309-S328 PolarHBondContact N-OG 3.39Å; C309-S328 PolarHBondContact SG-OG 2.91Å
310	D	98.9	Very high	98.7	Very high	79 Å²	79	44 Å²	44	42%	0.422	22%	0.224	S	C	.	.	H	α-helix	trans	-62.4	-46.3	176.1	-73.1	-38.2	0	0	0	111.9	K247 N306 R307 V308 L312 K313 E314	K247-D310 WeakPolarHBondContact CE-OD1 3.23Å; K247-D310 IonicContact NZ-OD1 3.79Å; K247-D310 PolarHBondContact NZ-OD1 2.76Å; K247-D310 IonicContact NZ-OD2 3.89Å; K247-D310 PolarHBondContact NZ-OD2 2.86Å; N306-D310 PolarHBondContact O-N 3.18Å; R307-D310 WeakPolarHBondContact O-CB 3.3Å; R307-D310 PolarHBondContact O-N 3.25Å; V308-D310 VanDerWaalsContact C-N 3.31Å; V308-D310 PolarHBondContact O-N 3.26Å; D310-L312 VanDerWaalsContact C-N 3.35Å; D310-L312 PolarHBondContact O-N 3.14Å; D310-K313 PolarHBondContact O-N 3.06Å; D310-E314 PolarHBondContact O-N 3.09Å
311	V	98.8	Very high	98.7	Very high	32 Å²	32	45.4 Å²	45.4	19%	0.194	23%	0.232	C	C	.	.	H	α-helix	trans	-59.8	-45.4	175.7	173.7	0	0	0	0	111.2	R307 V308 K313 E314 V315 V550 I554	R307-V311 WeakPolarHBondContact O-CG2 3.43Å; R307-V311 PolarHBondContact O-N 2.85Å; R307-V311 VanDerWaalsContact O-N 3.08Å; V308-V311 PolarHBondContact O-N 3.39Å; V311-K313 VanDerWaalsContact C-N 3.35Å; V311-K313 PolarHBondContact O-N 3.08Å; V311-E314 PolarHBondContact O-N 2.82Å; V311-V315 WeakPolarHBondContact O-CG2 3.49Å; V311-V315 PolarHBondContact O-N 3.36Å; V311-V315 VanDerWaalsContact O-N 3.09Å; V311-V550 HydrophobicContact CG1-CG1 3.58Å; V311-I554 HydrophobicContact CG1-CD1 4.29Å
312	L	98.8	Very high	98.7	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-67.2	-35.5	179.3	-72	179.6	0	0	0	112.4	V308 C309 D310 E314 V315 H316 W319 L324 T327 S328 I331	V308-L312 HydrophobicContact CG1-CD1 4.16Å; V308-L312 HydrophobicContact CG1-CG 4.29Å; V308-L312 WeakPolarHBondContact O-CB 3.25Å; V308-L312 WeakPolarHBondContact O-CG 3.39Å; V308-L312 PolarHBondContact O-N 3.03Å; C309-L312 PolarHBondContact O-N 3.33Å; D310-L312 VanDerWaalsContact C-N 3.35Å; D310-L312 PolarHBondContact O-N 3.14Å; L312-E314 VanDerWaalsContact C-N 3.34Å; L312-V315 PolarHBondContact O-N 3.49Å; L312-H316 WeakPolarHBondContact O-CA 3.15Å; L312-H316 WeakPolarHBondContact O-CB 3.3Å; L312-H316 PolarHBondContact O-N 3.47Å; L312-W319 HydrophobicContact CD1-CZ3 4.47Å; L312-W319 HydrophobicContact CD2-CZ3 4.46Å; L312-L324 HydrophobicContact CB-CD2 3.57Å; L312-T327 HydrophobicContact CD1-CG2 3.69Å; L312-T327 HydrophobicContact CD2-CG2 4.32Å; L312-S328 WeakPolarHBondContact CD1-OG 3.34Å; L312-I331 HydrophobicContact CD1-CD1 4Å; L312-I331 HydrophobicContact CD2-CD1 4.12Å; L312-I331 HydrophobicContact CG-CD1 4.28Å
313	K	98.8	Very high	98.7	Very high	63 Å²	63	54.5 Å²	54.5	27%	0.274	27%	0.269	S	S	.	.	H	α-helix	trans	-67.5	-35.7	176.7	-172.6	62.2	170.3	170.8	0	111.9	C309 D310 V311 H316 P317 W319 L324	C309-K313 WeakPolarHBondContact O-CB 3.4Å; C309-K313 PolarHBondContact O-N 3.26Å; D310-K313 PolarHBondContact O-N 3.06Å; V311-K313 VanDerWaalsContact C-N 3.35Å; V311-K313 PolarHBondContact O-N 3.08Å; K313-H316 CarbonylContact O-C 3.42Å; K313-H316 VanDerWaalsContact O-C 3.25Å; K313-P317 PolarHBondContact NZ-O 2.89Å; K313-P317 WeakPolarHBondContact O-CA 3.29Å; K313-W319 PolarHBondContact NZ-O 3.01Å; K313-L324 HydrophobicContact CB-CD1 4.48Å; K313-L324 HydrophobicContact CB-CD2 4.34Å; K313-L324 HydrophobicContact CD-CD1 3.76Å
314	E	98.6	Very high	98.7	Very high	161 Å²	161	53.6 Å²	53.6	75%	0.752	27%	0.266	S	S	*	.	H	α-helix	trans	-66	-45.5	174.2	-173.5	-179.6	171.4	0	0	111.5	D310 V311 L312	D310-E314 PolarHBondContact O-N 3.09Å; V311-E314 PolarHBondContact O-N 2.82Å; L312-E314 VanDerWaalsContact C-N 3.34Å
315	V	98	Very high	98.7	Very high	65 Å²	65	53.6 Å²	53.6	39%	0.394	27%	0.266	S	S	.	.	H	α-helix	trans	-70.7	-34.2	178.4	179.6	0	0	0	0	111.7	V311 L312 V550	V311-V315 WeakPolarHBondContact O-CG2 3.49Å; V311-V315 PolarHBondContact O-N 3.36Å; V311-V315 VanDerWaalsContact O-N 3.09Å; L312-V315 PolarHBondContact O-N 3.49Å; V315-V550 HydrophobicContact CG2-CB 4.32Å; V315-V550 HydrophobicContact CG2-CG1 4.22Å; V315-V550 HydrophobicContact CG2-CG2 4.1Å
316	H	98.4	Very high	98.7	Very high	46 Å²	46	56.7 Å²	56.7	21%	0.213	28%	0.28	C	S	.	.			trans	-129.1	76.5	-177.3	-55.4	-78.9	0	0	0	112	L312 K313 D318 W319 G547	L312-H316 WeakPolarHBondContact O-CA 3.15Å; L312-H316 WeakPolarHBondContact O-CB 3.3Å; L312-H316 PolarHBondContact O-N 3.47Å; K313-H316 CarbonylContact O-C 3.42Å; K313-H316 VanDerWaalsContact O-C 3.25Å; H316-D318 PolarHBondContact O-N 2.86Å; H316-D318 VanDerWaalsContact O-N 3.12Å; H316-W319 HydrophobicContact CB-CB 4.11Å; H316-W319 HydrophobicContact CB-CD2 3.45Å; H316-W319 VanDerWaalsContact CB-CD2 3.45Å; H316-W319 HydrophobicContact CB-CE3 4.09Å; H316-W319 HydrophobicContact CB-CG 3.46Å; H316-W319 VanDerWaalsContact CB-CG 3.46Å; H316-W319 HydrophobicContact CB-CZ2 4.28Å; H316-W319 AromaticContact CD2-CE2 3.75Å; H316-W319 AromaticContact CD2-CH2 3.73Å; H316-W319 AromaticContact CD2-CZ2 3.58Å; H316-W319 AromaticContact CD2-CZ3 3.95Å; H316-W319 AromaticContact CE1-CZ2 3.65Å; H316-W319 AromaticContact CG-CD2 3.68Å; H316-W319 AromaticContact CG-CE2 3.31Å; H316-W319 AromaticContact CG-CZ2 3.57Å; H316-W319 AromaticContact CG-NE1 3.55Å; H316-W319 AromaticContact ND1-CE2 3.51Å; H316-W319 AromaticContact ND1-CZ2 3.59Å; H316-W319 AromaticContact ND1-NE1 3.49Å; H316-W319 PolarHBondContact ND1-NE1 2.83Å; H316-W319 AromaticContact NE2-CH2 3.84Å; H316-W319 AromaticContact NE2-CZ2 3.62Å; H316-W319 PolarHBondContact O-N 3.23Å; H316-W319 VanDerWaalsContact O-N 3.12Å; H316-G547 PolarHBondContact NE2-O 3.41Å
317	P	98.4	Very high	98.7	Very high	79 Å²	79	56.7 Å²	56.7	51%	0.513	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-30.9	-178.8	-26.6	35.7	0	0	0	113.8	K313	K313-P317 PolarHBondContact NZ-O 2.89Å; K313-P317 WeakPolarHBondContact O-CA 3.29Å
318	D	98.1	Very high	98.7	Very high	160 Å²	160	53.7 Å²	53.7	86%	0.856	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-4.7	-176.2	-57.6	-35.8	0	0	0	114.1	H316	H316-D318 PolarHBondContact O-N 2.86Å; H316-D318 VanDerWaalsContact O-N 3.12Å
319	W	98.6	Very high	98.7	Very high	24 Å²	24	55.8 Å²	55.8	9%	0.091	28%	0.277	C	S	.	.			trans	-73.1	140.9	177.5	-74.4	13.6	0	0	0	111.9	L312 K313 H316 R323 L324 T327 G547	L312-W319 HydrophobicContact CD1-CZ3 4.47Å; L312-W319 HydrophobicContact CD2-CZ3 4.46Å; K313-W319 PolarHBondContact NZ-O 3.01Å; H316-W319 HydrophobicContact CB-CB 4.11Å; H316-W319 HydrophobicContact CB-CD2 3.45Å; H316-W319 VanDerWaalsContact CB-CD2 3.45Å; H316-W319 HydrophobicContact CB-CE3 4.09Å; H316-W319 HydrophobicContact CB-CG 3.46Å; H316-W319 VanDerWaalsContact CB-CG 3.46Å; H316-W319 HydrophobicContact CB-CZ2 4.28Å; H316-W319 AromaticContact CD2-CE2 3.75Å; H316-W319 AromaticContact CD2-CH2 3.73Å; H316-W319 AromaticContact CD2-CZ2 3.58Å; H316-W319 AromaticContact CD2-CZ3 3.95Å; H316-W319 AromaticContact CE1-CZ2 3.65Å; H316-W319 AromaticContact CG-CD2 3.68Å; H316-W319 AromaticContact CG-CE2 3.31Å; H316-W319 AromaticContact CG-CZ2 3.57Å; H316-W319 AromaticContact CG-NE1 3.55Å; H316-W319 AromaticContact ND1-CE2 3.51Å; H316-W319 AromaticContact ND1-CZ2 3.59Å; H316-W319 AromaticContact ND1-NE1 3.49Å; H316-W319 PolarHBondContact ND1-NE1 2.83Å; H316-W319 AromaticContact NE2-CH2 3.84Å; H316-W319 AromaticContact NE2-CZ2 3.62Å; H316-W319 PolarHBondContact O-N 3.23Å; H316-W319 VanDerWaalsContact O-N 3.12Å; W319-R323 HydrophobicContact CD2-CG 3.85Å; W319-R323 HydrophobicContact CE3-CB 4.45Å; W319-R323 HydrophobicContact CE3-CG 3.72Å; W319-R323 HydrophobicContact CG-CG 4.29Å; W319-R323 VanDerWaalsContact CZ2-NE 3.26Å; W319-R323 HydrophobicContact CZ3-CG 4.07Å; W319-L324 HydrophobicContact CB-CD2 4.21Å; W319-L324 HydrophobicContact CB-CG 4.05Å; W319-L324 HydrophobicContact CE3-CD2 3.98Å; W319-L324 HydrophobicContact CE3-CG 4.45Å; W319-T327 HydrophobicContact CH2-CG2 4.21Å; W319-T327 HydrophobicContact CZ3-CG2 3.91Å; W319-T327 WeakPolarHBondContact CZ3-OG1 3.4Å; W319-G547 VanDerWaalsContact CH2-CA 3.48Å
320	D	98.7	Very high	98.7	Very high	102 Å²	102	57.9 Å²	57.9	55%	0.545	29%	0.288	S	S	.	.			trans	-79.2	170.4	174.5	65.4	11.4	0	0	0	112.2	E322 R323 L324	D320-E322 VanDerWaalsContact C-N 3.32Å; D320-E322 PolarHBondContact O-N 3.39Å; D320-R323 PolarHBondContact O-N 3.02Å; D320-R323 WeakPolarHBondContact OD1-CB 3.31Å; D320-R323 PolarHBondContact OD1-N 3.18Å; D320-L324 WeakPolarHBondContact O-CD1 3.47Å; D320-L324 VanDerWaalsContact O-CG 3.29Å; D320-L324 WeakPolarHBondContact O-CG 3.22Å; D320-L324 PolarHBondContact O-N 2.9Å; D320-L324 VanDerWaalsContact O-N 3.15Å
321	D	98.9	Very high	98.7	Very high	30 Å²	30	54.1 Å²	54.1	16%	0.16	27%	0.268	C	S	.	.	H	α-helix	trans	-56.9	-44	179.8	175.7	81.6	0	0	0	112.3	R241 F243 K244 D245 G246 L324 F325	R241-D321 IonicContact CZ-OD2 3.14Å; R241-D321 IonicContact NE-OD2 3.6Å; R241-D321 IonicContact NH2-OD2 2.99Å; R241-D321 PolarHBondContact NH2-OD2 3.4Å; F243-D321 VanDerWaalsContact C-CG 3.46Å; F243-D321 WeakPolarHBondContact CA-OD1 3.49Å; F243-D321 WeakPolarHBondContact CA-OD2 3.38Å; K244-D321 VanDerWaalsContact CA-OD1 3.3Å; K244-D321 WeakPolarHBondContact CA-OD1 3.43Å; K244-D321 PolarHBondContact N-OD1 3.05Å; D245-D321 PolarHBondContact N-OD1 3.12Å; G246-D321 WeakPolarHBondContact CA-O 3.43Å; G246-D321 WeakPolarHBondContact CA-OD1 3.42Å; G246-D321 PolarHBondContact N-OD1 2.88Å; D321-L324 PolarHBondContact O-N 3.27Å; D321-F325 WeakPolarHBondContact O-CB 3.48Å; D321-F325 PolarHBondContact O-N 3.38Å
322	E	98.9	Very high	98.7	Very high	77 Å²	77	52.6 Å²	52.6	36%	0.36	26%	0.259	S	S	.	.	H	α-helix	trans	-64.1	-47.3	-176.4	-174.4	61	-149.8	0	0	111.3	R241 D320 L324 F325 Q326	R241-E322 IonicContact CZ-OE2 3.73Å; R241-E322 IonicContact NH1-OE1 2.7Å; R241-E322 IonicContact NH1-OE2 2.7Å; R241-E322 PolarHBondContact NH1-OE2 3.12Å; R241-E322 IonicContact NH2-OE2 2.68Å; R241-E322 PolarHBondContact NH2-OE2 3.15Å; D320-E322 VanDerWaalsContact C-N 3.32Å; D320-E322 PolarHBondContact O-N 3.39Å; E322-L324 PolarHBondContact O-N 3.02Å; E322-F325 PolarHBondContact O-N 3.22Å; E322-Q326 HydrophobicContact CG-CG 4.45Å; E322-Q326 WeakPolarHBondContact O-CG 3.29Å; E322-Q326 PolarHBondContact O-N 3.12Å; E322-Q326 WeakPolarHBondContact OE1-CG 3.45Å; E322-Q326 PolarHBondContact OE1-NE2 3.49Å
323	R	98.8	Very high	98.7	Very high	129 Å²	129	53 Å²	53	49%	0.487	26%	0.261	S	S	.	.	H	α-helix	trans	-65.6	-39.5	-179.7	-172.6	174.3	179.3	175.9	0.2	111.9	W319 D320 T327	W319-R323 HydrophobicContact CD2-CG 3.85Å; W319-R323 HydrophobicContact CE3-CB 4.45Å; W319-R323 HydrophobicContact CE3-CG 3.72Å; W319-R323 HydrophobicContact CG-CG 4.29Å; W319-R323 VanDerWaalsContact CZ2-NE 3.26Å; W319-R323 HydrophobicContact CZ3-CG 4.07Å; D320-R323 PolarHBondContact O-N 3.02Å; D320-R323 WeakPolarHBondContact OD1-CB 3.31Å; D320-R323 PolarHBondContact OD1-N 3.18Å; R323-T327 VanDerWaalsContact O-CB 3.27Å; R323-T327 WeakPolarHBondContact O-CB 3.35Å; R323-T327 PolarHBondContact O-N 2.79Å; R323-T327 PolarHBondContact O-OG1 3.48Å
324	L	98.9	Very high	98.7	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.9	-50.2	174.1	-70.7	163.2	0	0	0	110.7	L312 K313 W319 D320 D321 E322 Q326 T327 S328	L312-L324 HydrophobicContact CB-CD2 3.57Å; K313-L324 HydrophobicContact CB-CD1 4.48Å; K313-L324 HydrophobicContact CB-CD2 4.34Å; K313-L324 HydrophobicContact CD-CD1 3.76Å; W319-L324 HydrophobicContact CB-CD2 4.21Å; W319-L324 HydrophobicContact CB-CG 4.05Å; W319-L324 HydrophobicContact CE3-CD2 3.98Å; W319-L324 HydrophobicContact CE3-CG 4.45Å; D320-L324 WeakPolarHBondContact O-CD1 3.47Å; D320-L324 VanDerWaalsContact O-CG 3.29Å; D320-L324 WeakPolarHBondContact O-CG 3.22Å; D320-L324 PolarHBondContact O-N 2.9Å; D320-L324 VanDerWaalsContact O-N 3.15Å; D321-L324 PolarHBondContact O-N 3.27Å; E322-L324 PolarHBondContact O-N 3.02Å; L324-Q326 PolarHBondContact O-N 2.87Å; L324-T327 PolarHBondContact O-N 2.75Å; L324-S328 WeakPolarHBondContact O-CB 3.5Å; L324-S328 PolarHBondContact O-N 3.13Å; L324-S328 PolarHBondContact O-OG 3.33Å
325	F	98.9	Very high	98.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-57.6	-50.3	179.5	175.1	-98.4	0	0	0	112.2	Y230 Q237 R241 G246 L248 H305 D321 E322 S328 R329	Y230-F325 AromaticContact CD1-CE2 3.68Å; Y230-F325 HydrophobicContact CD1-CE2 3.68Å; Y230-F325 AromaticContact CD1-CZ 3.63Å; Y230-F325 HydrophobicContact CD1-CZ 3.63Å; Y230-F325 AromaticContact CE1-CE2 3.86Å; Y230-F325 HydrophobicContact CE1-CE2 3.86Å; Y230-F325 HydrophobicContact CE1-CZ 4.13Å; Y230-F325 HydrophobicContact CG-CZ 4.27Å; Q237-F325 HydrophobicContact CG-CE1 4.09Å; Q237-F325 HydrophobicContact CG-CZ 3.72Å; R241-F325 HydrophobicContact CG-CD2 3.85Å; R241-F325 HydrophobicContact CG-CE2 3.57Å; R241-F325 HydrophobicContact CG-CG 4.5Å; R241-F325 HydrophobicContact CG-CZ 4Å; G246-F325 WeakPolarHBondContact O-CD2 3.44Å; L248-F325 HydrophobicContact CD2-CE2 4.13Å; H305-F325 AromaticContact CE1-CD2 3.66Å; H305-F325 AromaticContact CE1-CE2 3.96Å; H305-F325 AromaticContact NE2-CD2 3.6Å; H305-F325 AromaticContact NE2-CE2 3.94Å; D321-F325 WeakPolarHBondContact O-CB 3.48Å; D321-F325 PolarHBondContact O-N 3.38Å; E322-F325 PolarHBondContact O-N 3.22Å; F325-S328 PolarHBondContact O-N 3.22Å; F325-R329 WeakPolarHBondContact O-CB 3.34Å; F325-R329 PolarHBondContact O-N 2.9Å
326	Q	98.9	Very high	98.8	Very high	66 Å²	66	39.8 Å²	39.8	31%	0.308	20%	0.196	S	C	.	.	H	α-helix	trans	-67.9	-40	-177.7	-63.3	-62	-16	0	0	112	E322 L324 R329 L330	E322-Q326 HydrophobicContact CG-CG 4.45Å; E322-Q326 WeakPolarHBondContact O-CG 3.29Å; E322-Q326 PolarHBondContact O-N 3.12Å; E322-Q326 WeakPolarHBondContact OE1-CG 3.45Å; E322-Q326 PolarHBondContact OE1-NE2 3.49Å; L324-Q326 PolarHBondContact O-N 2.87Å; Q326-R329 PolarHBondContact O-N 2.79Å; Q326-L330 WeakPolarHBondContact O-CG 3.43Å; Q326-L330 PolarHBondContact O-N 3.31Å; Q326-L330 VanDerWaalsContact O-N 3.07Å
327	T	98.9	Very high	98.8	Very high	13 Å²	13	37.6 Å²	37.6	8%	0.08	19%	0.186	C	C	.	.	H	α-helix	trans	-67	-43.9	177.9	-51.2	0	0	0	0	111	L312 W319 R323 L324 R329 L330 I331 F546	L312-T327 HydrophobicContact CD1-CG2 3.69Å; L312-T327 HydrophobicContact CD2-CG2 4.32Å; W319-T327 HydrophobicContact CH2-CG2 4.21Å; W319-T327 HydrophobicContact CZ3-CG2 3.91Å; W319-T327 WeakPolarHBondContact CZ3-OG1 3.4Å; R323-T327 VanDerWaalsContact O-CB 3.27Å; R323-T327 WeakPolarHBondContact O-CB 3.35Å; R323-T327 PolarHBondContact O-N 2.79Å; R323-T327 PolarHBondContact O-OG1 3.48Å; L324-T327 PolarHBondContact O-N 2.75Å; T327-R329 VanDerWaalsContact C-N 3.31Å; T327-R329 PolarHBondContact O-N 3.45Å; T327-L330 PolarHBondContact O-N 3.32Å; T327-L330 VanDerWaalsContact O-N 3.14Å; T327-I331 HydrophobicContact CG2-CD1 4.32Å; T327-I331 WeakPolarHBondContact O-CG1 3.26Å; T327-I331 PolarHBondContact O-N 3.09Å; T327-F546 VanDerWaalsContact CG2-C 3.49Å
328	S	98.9	Very high	98.9	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59	-41.7	174.1	-66.3	0	0	0	0	111.7	C309 L312 L324 F325 L330 I331 L332	C309-S328 PolarHBondContact N-OG 3.39Å; C309-S328 PolarHBondContact SG-OG 2.91Å; L312-S328 WeakPolarHBondContact CD1-OG 3.34Å; L324-S328 WeakPolarHBondContact O-CB 3.5Å; L324-S328 PolarHBondContact O-N 3.13Å; L324-S328 PolarHBondContact O-OG 3.33Å; F325-S328 PolarHBondContact O-N 3.22Å; S328-L330 VanDerWaalsContact C-N 3.35Å; S328-L330 PolarHBondContact O-N 2.94Å; S328-I331 PolarHBondContact O-N 2.9Å; S328-L332 VanDerWaalsContact O-CD1 3.23Å; S328-L332 WeakPolarHBondContact O-CD1 3.1Å; S328-L332 PolarHBondContact O-N 2.79Å
329	R	98.9	Very high	98.9	Very high	44 Å²	44	27.3 Å²	27.3	17%	0.166	13%	0.126	C	C	.	.	H	α-helix	trans	-59.6	-42.9	174.4	176.5	170.3	-172.1	-174.9	8.6	112.3	D225 Y230 F325 Q326 T327 L332 I333	D225-R329 PolarHBondContact O-NE 3.01Å; D225-R329 VanDerWaalsContact O-NE 3.08Å; D225-R329 PolarHBondContact O-NH2 2.66Å; Y230-R329 HydrophobicContact CD2-CG 3.88Å; Y230-R329 HydrophobicContact CE2-CB 3.98Å; Y230-R329 HydrophobicContact CE2-CG 3.53Å; F325-R329 WeakPolarHBondContact O-CB 3.34Å; F325-R329 PolarHBondContact O-N 2.9Å; Q326-R329 PolarHBondContact O-N 2.79Å; T327-R329 VanDerWaalsContact C-N 3.31Å; T327-R329 PolarHBondContact O-N 3.45Å; R329-L332 PolarHBondContact O-N 3.37Å; R329-I333 HydrophobicContact CG-CD1 4.01Å; R329-I333 WeakPolarHBondContact O-CD1 3.24Å; R329-I333 VanDerWaalsContact O-CG1 3.26Å; R329-I333 WeakPolarHBondContact O-CG1 3.49Å; R329-I333 PolarHBondContact O-N 2.78Å
330	L	98.9	Very high	98.9	Very high	44 Å²	44	26.2 Å²	26.2	23%	0.23	12%	0.121	C	C	.	.	H	α-helix	trans	-64.5	-39.9	177.3	-68.1	174.2	0	0	0	112.2	Q326 T327 S328 I333 G334 I535 T545 F546	Q326-L330 WeakPolarHBondContact O-CG 3.43Å; Q326-L330 PolarHBondContact O-N 3.31Å; Q326-L330 VanDerWaalsContact O-N 3.07Å; T327-L330 PolarHBondContact O-N 3.32Å; T327-L330 VanDerWaalsContact O-N 3.14Å; S328-L330 VanDerWaalsContact C-N 3.35Å; S328-L330 PolarHBondContact O-N 2.94Å; L330-I333 HydrophobicContact CD2-CD1 4.44Å; L330-I333 PolarHBondContact O-N 2.91Å; L330-G334 PolarHBondContact O-N 3.03Å; L330-G334 VanDerWaalsContact O-N 3.12Å; L330-I535 HydrophobicContact CD2-CG2 3.92Å; L330-T545 HydrophobicContact CD1-CG2 3.86Å; L330-F546 HydrophobicContact CB-CD1 4.28Å; L330-F546 HydrophobicContact CB-CE1 4.3Å
331	I	98.9	Very high	98.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.4	-52.4	173.9	-68.8	167.5	0	0	0	109.9	V308 L312 T327 S328 I333 G334 E335 F546 I554 V555	V308-I331 HydrophobicContact CG1-CB 4.17Å; V308-I331 HydrophobicContact CG1-CD1 3.56Å; V308-I331 HydrophobicContact CG1-CG1 4.47Å; V308-I331 HydrophobicContact CG1-CG2 4.04Å; V308-I331 HydrophobicContact CG2-CG2 4.31Å; L312-I331 HydrophobicContact CD1-CD1 4Å; L312-I331 HydrophobicContact CD2-CD1 4.12Å; L312-I331 HydrophobicContact CG-CD1 4.28Å; T327-I331 HydrophobicContact CG2-CD1 4.32Å; T327-I331 WeakPolarHBondContact O-CG1 3.26Å; T327-I331 PolarHBondContact O-N 3.09Å; S328-I331 PolarHBondContact O-N 2.9Å; I331-I333 VanDerWaalsContact C-N 3.3Å; I331-I333 PolarHBondContact O-N 3.08Å; I331-G334 CarbonylContact O-C 3.41Å; I331-G334 VanDerWaalsContact O-CA 3.31Å; I331-G334 WeakPolarHBondContact O-CA 3.34Å; I331-G334 PolarHBondContact O-N 2.9Å; I331-E335 HydrophobicContact CG2-CG 4.26Å; I331-E335 WeakPolarHBondContact O-CG 3.49Å; I331-E335 PolarHBondContact O-N 3.34Å; I331-F546 HydrophobicContact CG1-CB 3.96Å; I331-F546 HydrophobicContact CG1-CD1 4.01Å; I331-F546 HydrophobicContact CG1-CG 4.47Å; I331-I554 HydrophobicContact CG2-CB 4.05Å; I331-I554 HydrophobicContact CG2-CG2 3.55Å; I331-V555 HydrophobicContact CB-CG2 4.33Å; I331-V555 HydrophobicContact CG2-CG2 4.02Å; I331-V555 WeakPolarHBondContact O-CG2 3.4Å
332	L	98.9	Very high	98.9	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.6	-31	-178.3	-89.4	70.7	0	0	0	113.1	L226 Y230 W301 E304 H305 V308 S328 R329 G334 T336	L226-L332 HydrophobicContact CD2-CB 3.53Å; Y230-L332 WeakPolarHBondContact OH-CD2 3.36Å; W301-L332 HydrophobicContact CE3-CD2 3.9Å; W301-L332 HydrophobicContact CE3-CG 4.12Å; W301-L332 HydrophobicContact CZ3-CB 4.41Å; W301-L332 HydrophobicContact CZ3-CD2 4.4Å; W301-L332 HydrophobicContact CZ3-CG 4.1Å; E304-L332 HydrophobicContact CG-CD1 4.2Å; E304-L332 HydrophobicContact CG-CD2 4.45Å; E304-L332 HydrophobicContact CG-CG 4.23Å; H305-L332 HydrophobicContact CB-CD2 3.68Å; V308-L332 HydrophobicContact CB-CD1 4.1Å; V308-L332 HydrophobicContact CG1-CD1 4.43Å; V308-L332 HydrophobicContact CG2-CD1 3.79Å; S328-L332 VanDerWaalsContact O-CD1 3.23Å; S328-L332 WeakPolarHBondContact O-CD1 3.1Å; S328-L332 PolarHBondContact O-N 2.79Å; R329-L332 PolarHBondContact O-N 3.37Å; L332-G334 VanDerWaalsContact C-N 3.33Å; L332-T336 VanDerWaalsContact O-CB 3.31Å; L332-T336 WeakPolarHBondContact O-CB 3.07Å; L332-T336 PolarHBondContact O-N 3.09Å; L332-T336 PolarHBondContact O-OG1 3.39Å
333	I	98.9	Very high	98.9	Very high	11 Å²	11	20.6 Å²	20.6	6%	0.056	9%	0.093	C	C	.	.	H	α-helix	trans	-60.9	-45.5	169.1	-69.8	161.2	0	0	0	109.8	V224 L226 R329 L330 I331 T336 I337 I535	V224-I333 HydrophobicContact CG1-CG2 4.4Å; L226-I333 HydrophobicContact CB-CG1 4.48Å; L226-I333 HydrophobicContact CD1-CB 4.46Å; L226-I333 HydrophobicContact CD1-CG1 3.85Å; L226-I333 HydrophobicContact CD2-CG1 4.3Å; L226-I333 HydrophobicContact CG-CG1 4.42Å; R329-I333 HydrophobicContact CG-CD1 4.01Å; R329-I333 WeakPolarHBondContact O-CD1 3.24Å; R329-I333 VanDerWaalsContact O-CG1 3.26Å; R329-I333 WeakPolarHBondContact O-CG1 3.49Å; R329-I333 PolarHBondContact O-N 2.78Å; L330-I333 HydrophobicContact CD2-CD1 4.44Å; L330-I333 PolarHBondContact O-N 2.91Å; I331-I333 VanDerWaalsContact C-N 3.3Å; I331-I333 PolarHBondContact O-N 3.08Å; I333-T336 PolarHBondContact O-N 3.38Å; I333-I337 HydrophobicContact CG2-CD1 3.99Å; I333-I337 WeakPolarHBondContact O-CG1 3.48Å; I333-I337 PolarHBondContact O-N 2.81Å; I333-I535 HydrophobicContact CB-CD1 4.37Å; I333-I535 HydrophobicContact CG2-CD1 3.71Å; I333-I535 HydrophobicContact CG2-CG1 4.08Å; I333-I535 HydrophobicContact CG2-CG2 4.27Å
334	G	98.9	Very high	98.9	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60.3	-49.5	175.6	0	0	0	0	0	113	L330 I331 L332 T336 I337 K338 I535	L330-G334 PolarHBondContact O-N 3.03Å; L330-G334 VanDerWaalsContact O-N 3.12Å; I331-G334 CarbonylContact O-C 3.41Å; I331-G334 VanDerWaalsContact O-CA 3.31Å; I331-G334 WeakPolarHBondContact O-CA 3.34Å; I331-G334 PolarHBondContact O-N 2.9Å; L332-G334 VanDerWaalsContact C-N 3.33Å; G334-T336 VanDerWaalsContact C-N 3.3Å; G334-T336 PolarHBondContact O-N 3.32Å; G334-I337 PolarHBondContact O-N 3.3Å; G334-K338 WeakPolarHBondContact O-CB 3.26Å; G334-K338 PolarHBondContact O-N 3.29Å; G334-I535 VanDerWaalsContact CA-CD1 3.49Å
335	E	98.9	Very high	98.9	Very high	7 Å²	7	15.8 Å²	15.8	3%	0.033	8%	0.077	C	C	.	.	H	α-helix	trans	-58.8	-43.2	176.6	-63.6	-169.2	97	0	0	111.5	W301 I331 I337 K338 I339 I554 A558	W301-E335 HydrophobicContact CH2-CB 4.36Å; W301-E335 HydrophobicContact CZ3-CB 4.36Å; I331-E335 HydrophobicContact CG2-CG 4.26Å; I331-E335 WeakPolarHBondContact O-CG 3.49Å; I331-E335 PolarHBondContact O-N 3.34Å; E335-I337 PolarHBondContact O-N 2.78Å; E335-K338 WeakPolarHBondContact O-CB 3.25Å; E335-K338 PolarHBondContact O-N 3.2Å; E335-I339 WeakPolarHBondContact O-CB 3.04Å; E335-I339 VanDerWaalsContact O-CG1 3.27Å; E335-I339 WeakPolarHBondContact O-CG1 3.45Å; E335-I339 PolarHBondContact O-N 3.17Å; E335-I554 VanDerWaalsContact CD-CG2 3.49Å; E335-I554 HydrophobicContact CG-CG2 3.98Å; E335-I554 WeakPolarHBondContact OE1-CG2 3.32Å; E335-A558 HydrophobicContact CB-CB 3.77Å; E335-A558 HydrophobicContact CG-CB 3.77Å
336	T	98.9	Very high	98.8	Very high	3 Å²	3	17.5 Å²	17.5	2%	0.018	9%	0.085	C	C	.	.	H	α-helix	trans	-59	-49.7	177	-60.8	0	0	0	0	110.7	F201 V224 L226 W301 L332 I333 G334 K338 I339 V340	F201-T336 HydrophobicContact CD2-CG2 3.81Å; F201-T336 HydrophobicContact CE2-CG2 3.79Å; V224-T336 HydrophobicContact CG1-CG2 3.78Å; L226-T336 HydrophobicContact CD1-CG2 4.25Å; W301-T336 WeakPolarHBondContact CH2-OG1 3.2Å; L332-T336 VanDerWaalsContact O-CB 3.31Å; L332-T336 WeakPolarHBondContact O-CB 3.07Å; L332-T336 PolarHBondContact O-N 3.09Å; L332-T336 PolarHBondContact O-OG1 3.39Å; I333-T336 PolarHBondContact O-N 3.38Å; G334-T336 VanDerWaalsContact C-N 3.3Å; G334-T336 PolarHBondContact O-N 3.32Å; T336-K338 VanDerWaalsContact C-N 3.34Å; T336-K338 PolarHBondContact O-N 2.87Å; T336-I339 PolarHBondContact O-N 3.22Å; T336-V340 HydrophobicContact CG2-CG2 4.23Å; T336-V340 WeakPolarHBondContact O-CB 3.42Å; T336-V340 WeakPolarHBondContact O-CG2 3.31Å; T336-V340 PolarHBondContact O-N 3Å
337	I	98.9	Very high	98.8	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-64.6	-40.2	-179.8	-67.7	169.1	0	0	0	111	V224 I333 G334 E335 V340 I341 F357 L530 N533 I535	V224-I337 HydrophobicContact CB-CD1 4.47Å; V224-I337 HydrophobicContact CB-CG1 4.32Å; V224-I337 HydrophobicContact CG1-CG1 4.14Å; V224-I337 HydrophobicContact CG2-CG1 4.42Å; I333-I337 HydrophobicContact CG2-CD1 3.99Å; I333-I337 WeakPolarHBondContact O-CG1 3.48Å; I333-I337 PolarHBondContact O-N 2.81Å; G334-I337 PolarHBondContact O-N 3.3Å; E335-I337 PolarHBondContact O-N 2.78Å; I337-V340 PolarHBondContact O-N 3.37Å; I337-I341 HydrophobicContact CG2-CD1 3.87Å; I337-I341 WeakPolarHBondContact O-CG1 3.47Å; I337-I341 PolarHBondContact O-N 2.67Å; I337-F357 HydrophobicContact CB-CE2 4.48Å; I337-F357 HydrophobicContact CB-CZ 4.35Å; I337-F357 HydrophobicContact CG2-CD1 4.5Å; I337-F357 HydrophobicContact CG2-CD2 3.7Å; I337-F357 HydrophobicContact CG2-CE1 4.29Å; I337-F357 HydrophobicContact CG2-CE2 3.45Å; I337-F357 VanDerWaalsContact CG2-CE2 3.45Å; I337-F357 HydrophobicContact CG2-CG 4.23Å; I337-F357 HydrophobicContact CG2-CZ 3.78Å; I337-L530 HydrophobicContact CB-CD2 4.41Å; I337-L530 HydrophobicContact CG1-CD2 4.04Å; I337-L530 HydrophobicContact CG2-CB 4.29Å; I337-L530 HydrophobicContact CG2-CD2 4.22Å; I337-N533 HydrophobicContact CD1-CB 3.83Å; I337-I535 HydrophobicContact CD1-CD1 4.07Å; I337-I535 HydrophobicContact CD1-CG1 4.15Å
338	K	98.9	Very high	98.6	Very high	24 Å²	24	16.4 Å²	16.4	10%	0.104	8%	0.08	C	C	.	.	H	α-helix	trans	-58.1	-55.2	175.8	177.9	69.8	176.5	-169.7	0	111.4	G334 E335 T336 V340 I341 E342 F357 V555 N556 A558	G334-K338 WeakPolarHBondContact O-CB 3.26Å; G334-K338 PolarHBondContact O-N 3.29Å; E335-K338 WeakPolarHBondContact O-CB 3.25Å; E335-K338 PolarHBondContact O-N 3.2Å; T336-K338 VanDerWaalsContact C-N 3.34Å; T336-K338 PolarHBondContact O-N 2.87Å; K338-V340 VanDerWaalsContact C-N 3.29Å; K338-V340 PolarHBondContact O-N 3.43Å; K338-I341 PolarHBondContact O-N 2.91Å; K338-E342 HydrophobicContact CD-CG 4.33Å; K338-E342 WeakPolarHBondContact CE-OE1 3.44Å; K338-E342 WeakPolarHBondContact CE-OE2 3.35Å; K338-E342 IonicContact NZ-OE1 2.97Å; K338-E342 PolarHBondContact NZ-OE1 2.7Å; K338-E342 IonicContact NZ-OE2 3.85Å; K338-E342 PolarHBondContact NZ-OE2 2.86Å; K338-E342 PolarHBondContact O-N 3.33Å; K338-F357 HydrophobicContact CB-CD1 3.85Å; K338-F357 HydrophobicContact CB-CE1 4.47Å; K338-F357 HydrophobicContact CD-CB 3.92Å; K338-F357 HydrophobicContact CD-CD1 3.87Å; K338-F357 HydrophobicContact CD-CG 4.4Å; K338-F357 HydrophobicContact CG-CD1 4.47Å; K338-V555 WeakPolarHBondContact CG-O 3.25Å; K338-N556 WeakPolarHBondContact CE-O 3.34Å; K338-N556 PolarHBondContact NZ-O 3.44Å; K338-N556 VanDerWaalsContact NZ-O 3.17Å; K338-A558 HydrophobicContact CB-CB 4.27Å; K338-A558 HydrophobicContact CG-CB 4.04Å; K338-A558 WeakPolarHBondContact CG-O 3.48Å
339	I	98.9	Very high	98.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.3	-40.7	179.3	-66.5	169.4	0	0	0	110.3	F197 W301 E335 T336 I341 D343 Y344 A558 L560 L563 F577	F197-I339 HydrophobicContact CE2-CG2 4.08Å; F197-I339 HydrophobicContact CZ-CG2 3.89Å; W301-I339 HydrophobicContact CH2-CD1 4.2Å; E335-I339 WeakPolarHBondContact O-CB 3.04Å; E335-I339 VanDerWaalsContact O-CG1 3.27Å; E335-I339 WeakPolarHBondContact O-CG1 3.45Å; E335-I339 PolarHBondContact O-N 3.17Å; T336-I339 PolarHBondContact O-N 3.22Å; I339-I341 PolarHBondContact O-N 3.05Å; I339-D343 HydrophobicContact CG2-CB 4.32Å; I339-D343 WeakPolarHBondContact O-CA 3.41Å; I339-D343 WeakPolarHBondContact O-CB 3.36Å; I339-D343 PolarHBondContact O-N 3.17Å; I339-Y344 PolarHBondContact O-N 3.46Å; I339-A558 HydrophobicContact CD1-CB 4.47Å; I339-A558 HydrophobicContact CG1-CB 4.29Å; I339-L560 HydrophobicContact CG2-CB 4.35Å; I339-L563 HydrophobicContact CD1-CB 4.19Å; I339-L563 HydrophobicContact CD1-CD2 3.97Å; I339-F577 HydrophobicContact CG2-CE2 4.37Å; I339-F577 HydrophobicContact CG2-CZ 4.43Å
340	V	98.9	Very high	98.2	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.094	C	C	.	.	I	π-helix	trans	-62.9	-45.2	179.2	174	0	0	0	0	111.2	F197 F201 T336 I337 K338 Y344 V345 L530	F197-V340 HydrophobicContact CE1-CG2 3.84Å; F197-V340 HydrophobicContact CZ-CG2 3.92Å; F201-V340 HydrophobicContact CD1-CG2 4.39Å; F201-V340 HydrophobicContact CD2-CG2 3.82Å; F201-V340 HydrophobicContact CE1-CG1 4.21Å; F201-V340 HydrophobicContact CE1-CG2 4.17Å; F201-V340 HydrophobicContact CE2-CG2 3.59Å; F201-V340 HydrophobicContact CG-CG2 4.23Å; F201-V340 HydrophobicContact CZ-CG1 4.12Å; F201-V340 HydrophobicContact CZ-CG2 3.78Å; T336-V340 HydrophobicContact CG2-CG2 4.23Å; T336-V340 WeakPolarHBondContact O-CB 3.42Å; T336-V340 WeakPolarHBondContact O-CG2 3.31Å; T336-V340 PolarHBondContact O-N 3Å; I337-V340 PolarHBondContact O-N 3.37Å; K338-V340 VanDerWaalsContact C-N 3.29Å; K338-V340 PolarHBondContact O-N 3.43Å; V340-Y344 HydrophobicContact CG1-CD1 4.12Å; V340-Y344 WeakPolarHBondContact O-CB 3.41Å; V340-V345 HydrophobicContact CG1-CG2 4.15Å; V340-V345 WeakPolarHBondContact O-CB 3.49Å; V340-V345 VanDerWaalsContact O-CG2 3.26Å; V340-V345 WeakPolarHBondContact O-CG2 2.98Å; V340-V345 PolarHBondContact O-N 2.86Å; V340-L530 HydrophobicContact CB-CD2 4.01Å; V340-L530 HydrophobicContact CG1-CD1 3.69Å; V340-L530 HydrophobicContact CG1-CD2 3.73Å; V340-L530 HydrophobicContact CG1-CG 4.33Å
341	I	98.8	Very high	98.1	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	9%	0.091	C	C	.	.	I	π-helix	trans	-73.8	-47.8	-177.7	-69.2	173.1	0	0	0	111.7	M109 I337 K338 I339 L355 F357 L530 M531	M109-I341 HydrophobicContact CE-CG2 4.23Å; I337-I341 HydrophobicContact CG2-CD1 3.87Å; I337-I341 WeakPolarHBondContact O-CG1 3.47Å; I337-I341 PolarHBondContact O-N 2.67Å; K338-I341 PolarHBondContact O-N 2.91Å; I339-I341 PolarHBondContact O-N 3.05Å; I341-L355 HydrophobicContact CG2-CB 4.16Å; I341-F357 HydrophobicContact CB-CB 4.22Å; I341-F357 HydrophobicContact CD1-CB 4.02Å; I341-F357 HydrophobicContact CD1-CD2 3.68Å; I341-F357 HydrophobicContact CD1-CG 4.18Å; I341-F357 HydrophobicContact CG2-CB 4.29Å; I341-L530 HydrophobicContact CD1-CB 4.37Å; I341-L530 HydrophobicContact CD1-CD1 4.4Å; I341-L530 HydrophobicContact CG1-CD1 3.82Å; I341-M531 HydrophobicContact CD1-SD 3.77Å
342	E	98.8	Very high	98.1	Very high	43 Å²	43	19.5 Å²	19.5	20%	0.201	11%	0.105	C	C	.	.	I	π-helix	trans	-91.9	-22.7	-166.6	-63.2	-165.6	-166.3	0	0	114.4	K338 Q346 K356 F357	K338-E342 HydrophobicContact CD-CG 4.33Å; K338-E342 WeakPolarHBondContact CE-OE1 3.44Å; K338-E342 WeakPolarHBondContact CE-OE2 3.35Å; K338-E342 IonicContact NZ-OE1 2.97Å; K338-E342 PolarHBondContact NZ-OE1 2.7Å; K338-E342 IonicContact NZ-OE2 3.85Å; K338-E342 PolarHBondContact NZ-OE2 2.86Å; K338-E342 PolarHBondContact O-N 3.33Å; E342-Q346 WeakPolarHBondContact O-CB 3.42Å; E342-K356 WeakPolarHBondContact OE1-CA 3.38Å; E342-F357 HydrophobicContact CG-CB 4.42Å; E342-F357 PolarHBondContact OE1-N 3.23Å
343	D	98.7	Very high	98	Very high	48 Å²	48	19.6 Å²	19.6	26%	0.257	11%	0.105	S	C	.	.	I	π-helix	trans	-110	-56.4	177.1	-60.3	-25	0	0	0	110.7	I339 H347 S559 L560 F577	I339-D343 HydrophobicContact CG2-CB 4.32Å; I339-D343 WeakPolarHBondContact O-CA 3.41Å; I339-D343 WeakPolarHBondContact O-CB 3.36Å; I339-D343 PolarHBondContact O-N 3.17Å; D343-H347 WeakPolarHBondContact O-CB 3.33Å; D343-H347 PolarHBondContact O-N 2.97Å; D343-S559 WeakPolarHBondContact OD2-CA 3.48Å; D343-L560 PolarHBondContact OD2-N 3.12Å; D343-F577 HydrophobicContact CB-CD2 3.97Å; D343-F577 HydrophobicContact CB-CE2 3.75Å
344	Y	98.7	Very high	98	Very high	1 Å²	1	24.7 Å²	24.7	0%	0.004	13%	0.127	C	C	.	.	I	π-helix	trans	-71	-55.8	-170.9	176.4	-97.2	0	0	0	113.2	F194 F197 A198 I339 V340 Q346 H347 L348 Y381 W383 F577	F194-Y344 HydrophobicContact CD1-CE2 4.36Å; F194-Y344 AromaticContact CD2-CD2 3.47Å; F194-Y344 HydrophobicContact CD2-CD2 3.47Å; F194-Y344 VanDerWaalsContact CD2-CD2 3.47Å; F194-Y344 AromaticContact CD2-CE2 3.46Å; F194-Y344 HydrophobicContact CD2-CE2 3.46Å; F194-Y344 VanDerWaalsContact CD2-CE2 3.46Å; F194-Y344 HydrophobicContact CE1-CE2 4Å; F194-Y344 AromaticContact CE2-CD2 3.25Å; F194-Y344 HydrophobicContact CE2-CD2 3.25Å; F194-Y344 HydrophobicContact CE2-CE1 4.41Å; F194-Y344 AromaticContact CE2-CE2 3.03Å; F194-Y344 HydrophobicContact CE2-CE2 3.03Å; F194-Y344 HydrophobicContact CE2-CG 4.05Å; F194-Y344 AromaticContact CE2-CZ 3.68Å; F194-Y344 HydrophobicContact CG-CD2 4.42Å; F194-Y344 HydrophobicContact CG-CE2 4.13Å; F194-Y344 HydrophobicContact CZ-CD2 4.04Å; F194-Y344 HydrophobicContact CZ-CE1 4.5Å; F194-Y344 AromaticContact CZ-CE2 3.33Å; F194-Y344 HydrophobicContact CZ-CE2 3.33Å; F194-Y344 AromaticContact CZ-CZ 3.6Å; F197-Y344 AromaticContact CD1-CD2 3.41Å; F197-Y344 HydrophobicContact CD1-CD2 3.41Å; F197-Y344 VanDerWaalsContact CD1-CD2 3.41Å; F197-Y344 AromaticContact CD1-CE2 3.83Å; F197-Y344 HydrophobicContact CD1-CE2 3.83Å; F197-Y344 AromaticContact CD1-CG 3.99Å; F197-Y344 HydrophobicContact CD1-CG 3.99Å; F197-Y344 AromaticContact CE1-CD2 3.86Å; F197-Y344 HydrophobicContact CE1-CD2 3.86Å; F197-Y344 AromaticContact CE1-CG 3.94Å; F197-Y344 HydrophobicContact CE1-CG 3.94Å; F197-Y344 HydrophobicContact CG-CD2 4.42Å; A198-Y344 HydrophobicContact CB-CE2 3.87Å; A198-Y344 WeakPolarHBondContact CB-OH 3.47Å; I339-Y344 PolarHBondContact O-N 3.46Å; V340-Y344 HydrophobicContact CG1-CD1 4.12Å; V340-Y344 WeakPolarHBondContact O-CB 3.41Å; Y344-Q346 VanDerWaalsContact C-N 3.29Å; Y344-Q346 PolarHBondContact O-N 3.01Å; Y344-H347 PolarHBondContact O-N 3.3Å; Y344-L348 HydrophobicContact CE1-CD2 4.45Å; Y344-L348 VanDerWaalsContact O-CB 3.31Å; Y344-L348 WeakPolarHBondContact O-CB 3.25Å; Y344-L348 PolarHBondContact O-N 3.18Å; Y344-Y381 WeakPolarHBondContact CE1-OH 3.15Å; Y344-Y381 VanDerWaalsContact CZ-OH 3.3Å; Y344-Y381 WeakPolarHBondContact OH-CE1 3.39Å; Y344-Y381 PolarHBondContact OH-OH 2.85Å; Y344-W383 WeakPolarHBondContact OH-CZ3 3.44Å; Y344-F577 HydrophobicContact CD2-CE2 4.28Å; Y344-F577 HydrophobicContact CD2-CZ 4.35Å
345	V	98.3	Very high	98	Very high	26 Å²	26	25.2 Å²	25.2	16%	0.158	13%	0.129	C	C	.	.	H	α-helix	trans	-68.9	-32.8	177.8	176.9	0	0	0	0	110.3	V340 L348 S349 L355	V340-V345 HydrophobicContact CG1-CG2 4.15Å; V340-V345 WeakPolarHBondContact O-CB 3.49Å; V340-V345 VanDerWaalsContact O-CG2 3.26Å; V340-V345 WeakPolarHBondContact O-CG2 2.98Å; V340-V345 PolarHBondContact O-N 2.86Å; V345-L348 PolarHBondContact O-N 3.21Å; V345-S349 WeakPolarHBondContact O-CB 3.44Å; V345-S349 PolarHBondContact O-N 3.03Å; V345-S349 PolarHBondContact O-OG 3.29Å; V345-L355 HydrophobicContact CB-CD1 4.09Å; V345-L355 HydrophobicContact CG1-CD1 3.6Å
346	Q	98.1	Very high	97.9	Very high	36 Å²	36	26.9 Å²	26.9	17%	0.168	14%	0.137	C	C	.	.	H	α-helix	trans	-58	-53.1	174.5	-176.9	66.2	61.4	0	0	110.9	E342 Y344 S349 G350 Y351 F353 L355	E342-Q346 WeakPolarHBondContact O-CB 3.42Å; Y344-Q346 VanDerWaalsContact C-N 3.29Å; Y344-Q346 PolarHBondContact O-N 3.01Å; Q346-S349 PolarHBondContact O-N 3.26Å; Q346-S349 PolarHBondContact O-OG 3.45Å; Q346-G350 PolarHBondContact O-N 3.48Å; Q346-Y351 PolarHBondContact NE2-O 3.02Å; Q346-F353 PolarHBondContact NE2-O 3.11Å; Q346-F353 PolarHBondContact OE1-O 3Å; Q346-L355 HydrophobicContact CB-CD1 4.42Å
347	H	97.8	Very high	97.9	Very high	27 Å²	27	27 Å²	27	13%	0.125	14%	0.137	C	C	.	.	H	α-helix	trans	-57.6	-53.8	175.2	173.7	62.9	0	0	0	111.6	Q188 T190 F194 D343 Y344 S349 G350 F577	Q188-H347 PolarHBondContact NE2-O 3.08Å; Q188-H347 VanDerWaalsContact NE2-O 3.12Å; T190-H347 WeakPolarHBondContact CA-NE2 3.43Å; T190-H347 PolarHBondContact OG1-NE2 3.12Å; F194-H347 AromaticContact CD2-CD2 3.59Å; F194-H347 AromaticContact CE2-CD2 3.78Å; D343-H347 WeakPolarHBondContact O-CB 3.33Å; D343-H347 PolarHBondContact O-N 2.97Å; Y344-H347 PolarHBondContact O-N 3.3Å; H347-S349 PolarHBondContact O-N 3.44Å; H347-G350 PolarHBondContact O-N 3.14Å; H347-G350 VanDerWaalsContact O-N 3.09Å; H347-F577 HydrophobicContact CB-CB 4.1Å; H347-F577 PolarHBondContact NE2-O 3.34Å
348	L	95.1	Very high	97.9	Very high	30 Å²	30	28 Å²	28	16%	0.157	14%	0.142	C	C	.	.	H	α-helix	trans	-55.3	-39.1	-178.1	-175.3	65.2	0	0	0	112.8	Q188 F194 Y344 V345 W383 I513 F514	Q188-L348 PolarHBondContact NE2-O 3.24Å; F194-L348 HydrophobicContact CE1-CD1 4.47Å; F194-L348 HydrophobicContact CE2-CB 4.2Å; F194-L348 HydrophobicContact CE2-CD1 4.39Å; F194-L348 HydrophobicContact CZ-CB 4.26Å; F194-L348 HydrophobicContact CZ-CD1 3.65Å; F194-L348 HydrophobicContact CZ-CG 4.4Å; Y344-L348 HydrophobicContact CE1-CD2 4.45Å; Y344-L348 VanDerWaalsContact O-CB 3.31Å; Y344-L348 WeakPolarHBondContact O-CB 3.25Å; Y344-L348 PolarHBondContact O-N 3.18Å; V345-L348 PolarHBondContact O-N 3.21Å; L348-W383 HydrophobicContact CD1-CH2 4.3Å; L348-W383 HydrophobicContact CD1-CZ3 4.17Å; L348-W383 HydrophobicContact CD2-CH2 3.72Å; L348-W383 HydrophobicContact CD2-CZ3 4.18Å; L348-I513 HydrophobicContact CD1-CG2 3.81Å; L348-F514 HydrophobicContact CD1-CD2 4.02Å; L348-F514 HydrophobicContact CD1-CE2 3.17Å; L348-F514 HydrophobicContact CD1-CZ 3.66Å; L348-F514 HydrophobicContact CD2-CE2 3.99Å; L348-F514 HydrophobicContact CG-CD2 4.5Å; L348-F514 HydrophobicContact CG-CE2 3.81Å
349	S	95.5	Very high	97.9	Very high	18 Å²	18	26.9 Å²	26.9	13%	0.126	14%	0.138	C	C	.	.	H	α-helix	trans	-72.4	-29.6	-177.9	74	0	0	0	0	113.8	V345 Q346 H347 Y351	V345-S349 WeakPolarHBondContact O-CB 3.44Å; V345-S349 PolarHBondContact O-N 3.03Å; V345-S349 PolarHBondContact O-OG 3.29Å; Q346-S349 PolarHBondContact O-N 3.26Å; Q346-S349 PolarHBondContact O-OG 3.45Å; H347-S349 PolarHBondContact O-N 3.44Å; S349-Y351 WeakPolarHBondContact O-CD1 3.49Å; S349-Y351 WeakPolarHBondContact O-CE1 3.34Å; S349-Y351 PolarHBondContact O-N 3.26Å; S349-Y351 PolarHBondContact OG-N 2.96Å; S349-Y351 VanDerWaalsContact OG-N 3.15Å
350	G	95.1	Very high	97.9	Very high	33 Å²	33	32.4 Å²	32.4	34%	0.34	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	13.7	-170.1	0	0	0	0	0	114.2	Q346 H347	Q346-G350 PolarHBondContact O-N 3.48Å; H347-G350 PolarHBondContact O-N 3.14Å; H347-G350 VanDerWaalsContact O-N 3.09Å
351	Y	96.9	Very high	97.8	Very high	39 Å²	39	32.8 Å²	32.8	15%	0.153	17%	0.165	C	C	.	.			trans	-74.4	144	-174.7	-60.4	-12.9	0	0	0	111.8	H85 L88 T89 Q346 S349 F353	H85-Y351 AromaticContact ND1-CE1 3.65Å; L88-Y351 HydrophobicContact CB-CD1 3.71Å; L88-Y351 HydrophobicContact CB-CD2 4.37Å; L88-Y351 HydrophobicContact CB-CE1 4.15Å; L88-Y351 HydrophobicContact CB-CG 3.87Å; L88-Y351 HydrophobicContact CD1-CD1 4.37Å; L88-Y351 HydrophobicContact CD1-CD2 4.01Å; L88-Y351 HydrophobicContact CD1-CE1 4.17Å; L88-Y351 HydrophobicContact CD1-CE2 3.74Å; L88-Y351 HydrophobicContact CD1-CG 4.33Å; L88-Y351 HydrophobicContact CD2-CD2 4.41Å; L88-Y351 HydrophobicContact CG-CG 4.48Å; L88-Y351 WeakPolarHBondContact O-CA 3.27Å; T89-Y351 HydrophobicContact CG2-CD1 3.99Å; T89-Y351 HydrophobicContact CG2-CE1 4.48Å; Q346-Y351 PolarHBondContact NE2-O 3.02Å; S349-Y351 WeakPolarHBondContact O-CD1 3.49Å; S349-Y351 WeakPolarHBondContact O-CE1 3.34Å; S349-Y351 PolarHBondContact O-N 3.26Å; S349-Y351 PolarHBondContact OG-N 2.96Å; S349-Y351 VanDerWaalsContact OG-N 3.15Å; Y351-F353 VanDerWaalsContact C-N 3.32Å
352	H	97.7	Very high	97.8	Very high	63 Å²	63	32.8 Å²	32.8	29%	0.292	17%	0.165	S	C	.	.	S	Bend	trans	-78.9	-20.1	167.1	-66	-28.2	0	0	0	112.4	L88 T89 W95 N99 K354	L88-H352 PolarHBondContact O-N 3.25Å; T89-H352 PolarHBondContact O-CD2 3.22Å; T89-H352 PolarHBondContact O-NE2 3.2Å; T89-H352 VanDerWaalsContact O-NE2 3.13Å; W95-H352 HydrophobicContact CB-CB 3.77Å; W95-H352 HydrophobicContact CG-CB 3.78Å; N99-H352 PolarHBondContact ND2-O 3.48Å; H352-K354 PolarHBondContact O-N 2.67Å
353	F	98.3	Very high	97.8	Very high	1 Å²	1	34.4 Å²	34.4	0%	0.004	17%	0.172	C	C	.	.	S	Bend	trans	-65.4	129.1	167.7	177.5	-110.1	0	0	0	110.1	L88 W95 R105 I108 M109 Q346 Y351 L355	L88-F353 HydrophobicContact CD2-CB 3.87Å; W95-F353 HydrophobicContact CD2-CB 4.28Å; W95-F353 HydrophobicContact CE3-CB 3.86Å; W95-F353 AromaticContact CE3-CD2 3.9Å; W95-F353 HydrophobicContact CE3-CD2 3.9Å; W95-F353 HydrophobicContact CE3-CG 4.35Å; W95-F353 HydrophobicContact CH2-CB 4.36Å; W95-F353 HydrophobicContact CZ3-CB 3.91Å; W95-F353 AromaticContact CZ3-CD2 3.66Å; W95-F353 HydrophobicContact CZ3-CD2 3.66Å; W95-F353 HydrophobicContact CZ3-CG 4.11Å; R105-F353 HydrophobicContact CB-CE2 4.37Å; R105-F353 HydrophobicContact CG-CE2 3.82Å; R105-F353 HydrophobicContact CG-CZ 4.02Å; R105-F353 WeakPolarHBondContact O-CZ 3.46Å; I108-F353 HydrophobicContact CB-CE2 3.86Å; I108-F353 HydrophobicContact CB-CZ 3.89Å; I108-F353 HydrophobicContact CD1-CE2 4.34Å; I108-F353 HydrophobicContact CG2-CD1 4.45Å; I108-F353 HydrophobicContact CG2-CD2 4.16Å; I108-F353 HydrophobicContact CG2-CE1 4.04Å; I108-F353 HydrophobicContact CG2-CE2 3.72Å; I108-F353 HydrophobicContact CG2-CZ 3.65Å; M109-F353 HydrophobicContact CB-CE1 4.4Å; M109-F353 HydrophobicContact CB-CZ 4.09Å; M109-F353 HydrophobicContact SD-CE1 4.03Å; Q346-F353 PolarHBondContact NE2-O 3.11Å; Q346-F353 PolarHBondContact OE1-O 3Å; Y351-F353 VanDerWaalsContact C-N 3.32Å; F353-L355 HydrophobicContact CD1-CD2 3.88Å; F353-L355 HydrophobicContact CE1-CD2 3.97Å; F353-L355 PolarHBondContact O-N 3.49Å
354	K	98.2	Very high	97.7	Very high	118 Å²	118	36.2 Å²	36.2	51%	0.513	19%	0.188	S	C	.	.			trans	-83.7	104.8	177.3	-71.9	-174.3	179.9	-173.2	0	110	N99 R105 H352	N99-K354 HydrophobicContact CB-CB 4.47Å; N99-K354 HydrophobicContact CB-CD 4.24Å; N99-K354 HydrophobicContact CB-CG 4.32Å; N99-K354 PolarHBondContact OD1-N 3.15Å; R105-K354 PolarHBondContact NE-O 3.14Å; R105-K354 PolarHBondContact NH2-O 2.99Å; H352-K354 PolarHBondContact O-N 2.67Å
355	L	98.3	Very high	97.6	Very high	11 Å²	11	41 Å²	41	6%	0.058	21%	0.209	C	C	.	.			trans	-56.1	151.1	171.6	-59.9	178.5	0	0	0	110.4	R105 M109 I341 V345 Q346 F353	R105-L355 PolarHBondContact NH2-O 3.4Å; M109-L355 HydrophobicContact CE-CD2 4.38Å; M109-L355 HydrophobicContact SD-CB 4.37Å; M109-L355 HydrophobicContact SD-CD2 3.9Å; I341-L355 HydrophobicContact CG2-CB 4.16Å; V345-L355 HydrophobicContact CB-CD1 4.09Å; V345-L355 HydrophobicContact CG1-CD1 3.6Å; Q346-L355 HydrophobicContact CB-CD1 4.42Å; F353-L355 HydrophobicContact CD1-CD2 3.88Å; F353-L355 HydrophobicContact CE1-CD2 3.97Å; F353-L355 PolarHBondContact O-N 3.49Å
356	K	98.3	Very high	97.5	Very high	43 Å²	43	51.1 Å²	51.1	19%	0.187	25%	0.245	C	C	.	.			trans	-138	127.3	-176.3	-168.5	-168.9	-176.7	-165.3	0	109.6	D106 M109 E342 D358	D106-K356 VanDerWaalsContact CG-NZ 3.35Å; D106-K356 WeakPolarHBondContact OD1-CD 3.38Å; D106-K356 IonicContact OD1-NZ 2.81Å; D106-K356 PolarHBondContact OD1-NZ 2.87Å; D106-K356 IonicContact OD2-NZ 3.21Å; D106-K356 PolarHBondContact OD2-NZ 2.84Å; M109-K356 WeakPolarHBondContact CE-O 3.24Å; M109-K356 HydrophobicContact CG-CB 4.24Å; E342-K356 WeakPolarHBondContact OE1-CA 3.38Å; K356-D358 HydrophobicContact CD-CB 3.84Å; K356-D358 WeakPolarHBondContact CE-OD2 3.16Å; K356-D358 HydrophobicContact CG-CB 4.08Å; K356-D358 IonicContact NZ-OD2 2.73Å; K356-D358 PolarHBondContact NZ-OD2 2.78Å; K356-D358 PolarHBondContact O-N 2.86Å
357	F	98.6	Very high	97.5	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.018	24%	0.241	C	C	.	.			trans	-84.1	108.3	163.2	175.8	-130.4	0	0	0	108.6	I337 K338 I341 E342 P359 M531 W541 V555	I337-F357 HydrophobicContact CB-CE2 4.48Å; I337-F357 HydrophobicContact CB-CZ 4.35Å; I337-F357 HydrophobicContact CG2-CD1 4.5Å; I337-F357 HydrophobicContact CG2-CD2 3.7Å; I337-F357 HydrophobicContact CG2-CE1 4.29Å; I337-F357 HydrophobicContact CG2-CE2 3.45Å; I337-F357 VanDerWaalsContact CG2-CE2 3.45Å; I337-F357 HydrophobicContact CG2-CG 4.23Å; I337-F357 HydrophobicContact CG2-CZ 3.78Å; K338-F357 HydrophobicContact CB-CD1 3.85Å; K338-F357 HydrophobicContact CB-CE1 4.47Å; K338-F357 HydrophobicContact CD-CB 3.92Å; K338-F357 HydrophobicContact CD-CD1 3.87Å; K338-F357 HydrophobicContact CD-CG 4.4Å; K338-F357 HydrophobicContact CG-CD1 4.47Å; I341-F357 HydrophobicContact CB-CB 4.22Å; I341-F357 HydrophobicContact CD1-CB 4.02Å; I341-F357 HydrophobicContact CD1-CD2 3.68Å; I341-F357 HydrophobicContact CD1-CG 4.18Å; I341-F357 HydrophobicContact CG2-CB 4.29Å; E342-F357 HydrophobicContact CG-CB 4.42Å; E342-F357 PolarHBondContact OE1-N 3.23Å; F357-P359 HydrophobicContact CD2-CG 4.37Å; F357-P359 HydrophobicContact CE2-CG 3.57Å; F357-P359 HydrophobicContact CZ-CG 3.7Å; F357-M531 HydrophobicContact CD2-CE 4.29Å; F357-M531 HydrophobicContact CD2-SD 3.91Å; F357-M531 HydrophobicContact CE2-CE 4.16Å; F357-M531 HydrophobicContact CE2-SD 3.99Å; F357-W541 HydrophobicContact CD1-CH2 4.49Å; F357-W541 AromaticContact CE1-CH2 3.51Å; F357-W541 HydrophobicContact CE1-CH2 3.51Å; F357-W541 HydrophobicContact CE1-CZ2 4.24Å; F357-W541 HydrophobicContact CE1-CZ3 4.03Å; F357-W541 AromaticContact CZ-CH2 3.8Å; F357-W541 HydrophobicContact CZ-CH2 3.8Å; F357-W541 HydrophobicContact CZ-CZ2 4.46Å; F357-W541 AromaticContact CZ-CZ3 3.94Å; F357-W541 HydrophobicContact CZ-CZ3 3.94Å; F357-V555 HydrophobicContact CE1-CG1 4.22Å
358	D	98.5	Very high	97.5	Very high	23 Å²	23	54 Å²	54	12%	0.123	26%	0.258	C	S	.	.			trans	-151.5	98.1	177	-179	-7.1	0	0	0	108.9	K356 E360 L361	K356-D358 HydrophobicContact CD-CB 3.84Å; K356-D358 WeakPolarHBondContact CE-OD2 3.16Å; K356-D358 HydrophobicContact CG-CB 4.08Å; K356-D358 IonicContact NZ-OD2 2.73Å; K356-D358 PolarHBondContact NZ-OD2 2.78Å; K356-D358 PolarHBondContact O-N 2.86Å; D358-E360 PolarHBondContact O-N 2.74Å; D358-E360 WeakPolarHBondContact OD1-CB 3.46Å; D358-E360 PolarHBondContact OD1-N 2.99Å; D358-L361 HydrophobicContact CB-CD1 3.96Å; D358-L361 HydrophobicContact CB-CG 3.87Å; D358-L361 WeakPolarHBondContact O-CB 3.39Å; D358-L361 WeakPolarHBondContact O-CG 3.38Å; D358-L361 PolarHBondContact O-N 2.95Å
359	P	98.6	Very high	97.7	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-57.3	-28.9	178.6	-30.6	39.7	0	0	0	114.7	F357 L361 L362 F363 M531 C536 W541	F357-P359 HydrophobicContact CD2-CG 4.37Å; F357-P359 HydrophobicContact CE2-CG 3.57Å; F357-P359 HydrophobicContact CZ-CG 3.7Å; P359-L361 PolarHBondContact O-N 3.3Å; P359-L361 VanDerWaalsContact O-N 3.14Å; P359-L362 PolarHBondContact O-N 2.9Å; P359-F363 HydrophobicContact CB-CE1 4.01Å; P359-F363 HydrophobicContact CB-CZ 4.28Å; P359-F363 VanDerWaalsContact O-CD1 3.26Å; P359-F363 WeakPolarHBondContact O-CD1 3.29Å; P359-F363 VanDerWaalsContact O-CE1 3.29Å; P359-F363 WeakPolarHBondContact O-CE1 3.4Å; P359-M531 HydrophobicContact CB-CE 4.36Å; P359-M531 HydrophobicContact CG-CE 4.29Å; P359-C536 HydrophobicContact CB-CB 4.1Å; P359-C536 WeakPolarHBondContact CB-O 3.15Å; P359-C536 HydrophobicContact CG-CB 4.14Å; P359-W541 HydrophobicContact CB-CB 4.45Å; P359-W541 HydrophobicContact CB-CD2 4.09Å; P359-W541 HydrophobicContact CB-CG 3.9Å; P359-W541 HydrophobicContact CG-CD2 3.61Å; P359-W541 HydrophobicContact CG-CE3 4.01Å; P359-W541 HydrophobicContact CG-CG 3.99Å; P359-W541 HydrophobicContact CG-CH2 4.31Å; P359-W541 HydrophobicContact CG-CZ2 3.95Å; P359-W541 HydrophobicContact CG-CZ3 4.34Å
360	E	98.4	Very high	97.8	Very high	115 Å²	115	57.5 Å²	57.5	54%	0.537	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-64	-24.7	-176.3	-55.1	-170	-177.9	0	0	112.3	D358 L362 F363	D358-E360 PolarHBondContact O-N 2.74Å; D358-E360 WeakPolarHBondContact OD1-CB 3.46Å; D358-E360 PolarHBondContact OD1-N 2.99Å; E360-L362 PolarHBondContact O-N 3.35Å; E360-F363 HydrophobicContact CB-CD2 4.13Å; E360-F363 HydrophobicContact CB-CE2 4.09Å; E360-F363 HydrophobicContact CG-CD2 4.21Å; E360-F363 HydrophobicContact CG-CE2 3.69Å; E360-F363 HydrophobicContact CG-CZ 4.07Å; E360-F363 PolarHBondContact O-N 2.85Å; E360-F363 VanDerWaalsContact O-N 3.15Å
361	L	98.2	Very high	98	Very high	8 Å²	8	57.6 Å²	57.6	4%	0.042	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-56.7	-25.7	175.1	-60.6	-177.3	0	0	0	112.7	D106 M109 K110 D358 P359	D106-L361 HydrophobicContact CB-CD2 3.67Å; M109-L361 HydrophobicContact CB-CD1 3.89Å; M109-L361 HydrophobicContact CG-CD1 3.87Å; K110-L361 HydrophobicContact CB-CB 4.29Å; K110-L361 WeakPolarHBondContact CD-O 3.24Å; K110-L361 WeakPolarHBondContact CE-O 3.11Å; K110-L361 WeakPolarHBondContact CG-O 3.29Å; D358-L361 HydrophobicContact CB-CD1 3.96Å; D358-L361 HydrophobicContact CB-CG 3.87Å; D358-L361 WeakPolarHBondContact O-CB 3.39Å; D358-L361 WeakPolarHBondContact O-CG 3.38Å; D358-L361 PolarHBondContact O-N 2.95Å; P359-L361 PolarHBondContact O-N 3.3Å; P359-L361 VanDerWaalsContact O-N 3.14Å
362	L	98.3	Very high	98.1	Very high	1 Å²	1	57 Å²	57	1%	0.005	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-100.4	-10.1	-178	-65.5	178.7	0	0	0	114.4	L113 T114 P359 E360 S364 K365 F367 M531	L113-L362 HydrophobicContact CB-CD2 3.97Å; L113-L362 HydrophobicContact CD1-CD1 4.22Å; L113-L362 HydrophobicContact CD1-CD2 4.36Å; L113-L362 HydrophobicContact CD1-CG 4.15Å; T114-L362 HydrophobicContact CG2-CD2 3.86Å; P359-L362 PolarHBondContact O-N 2.9Å; E360-L362 PolarHBondContact O-N 3.35Å; L362-S364 PolarHBondContact O-N 3.21Å; L362-S364 VanDerWaalsContact O-N 3.16Å; L362-K365 WeakPolarHBondContact O-CB 3.48Å; L362-K365 PolarHBondContact O-N 3.37Å; L362-F367 HydrophobicContact CD1-CD1 4.25Å; L362-F367 HydrophobicContact CD1-CD2 4.01Å; L362-F367 HydrophobicContact CD1-CE1 4.33Å; L362-F367 HydrophobicContact CD1-CE2 4.08Å; L362-F367 HydrophobicContact CD1-CG 4.09Å; L362-F367 HydrophobicContact CD1-CZ 4.25Å; L362-M531 HydrophobicContact CD1-CB 3.85Å; L362-M531 HydrophobicContact CD1-CE 4Å; L362-M531 HydrophobicContact CD1-CG 4.21Å
363	F	98.4	Very high	98.2	Very high	77 Å²	77	54.1 Å²	54.1	34%	0.338	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-29.4	-174.1	-68.1	-1.1	0	0	0	113.6	P359 E360 K365 P538 W541	P359-F363 HydrophobicContact CB-CE1 4.01Å; P359-F363 HydrophobicContact CB-CZ 4.28Å; P359-F363 VanDerWaalsContact O-CD1 3.26Å; P359-F363 WeakPolarHBondContact O-CD1 3.29Å; P359-F363 VanDerWaalsContact O-CE1 3.29Å; P359-F363 WeakPolarHBondContact O-CE1 3.4Å; E360-F363 HydrophobicContact CB-CD2 4.13Å; E360-F363 HydrophobicContact CB-CE2 4.09Å; E360-F363 HydrophobicContact CG-CD2 4.21Å; E360-F363 HydrophobicContact CG-CE2 3.69Å; E360-F363 HydrophobicContact CG-CZ 4.07Å; E360-F363 PolarHBondContact O-N 2.85Å; E360-F363 VanDerWaalsContact O-N 3.15Å; F363-K365 VanDerWaalsContact C-N 3.33Å; F363-P538 HydrophobicContact CB-CG 4.41Å; F363-P538 HydrophobicContact CD1-CB 4.28Å; F363-P538 HydrophobicContact CD1-CG 3.61Å; F363-P538 HydrophobicContact CD2-CB 4.44Å; F363-P538 HydrophobicContact CD2-CG 4.48Å; F363-P538 HydrophobicContact CE1-CB 4.29Å; F363-P538 HydrophobicContact CE1-CG 3.93Å; F363-P538 HydrophobicContact CE2-CB 4.44Å; F363-P538 HydrophobicContact CG-CB 4.37Å; F363-P538 HydrophobicContact CG-CG 3.92Å; F363-P538 HydrophobicContact CZ-CB 4.38Å; F363-P538 HydrophobicContact CZ-CG 4.5Å; F363-W541 HydrophobicContact CZ-CB 3.98Å; F363-W541 AromaticContact CZ-CD1 3.94Å; F363-W541 HydrophobicContact CZ-CG 4.28Å
364	S	96.2	Very high	98.2	Very high	87 Å²	87	54.2 Å²	54.2	61%	0.608	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	9	176.2	57.6	0	0	0	0	113.8	L362	L362-S364 PolarHBondContact O-N 3.21Å; L362-S364 VanDerWaalsContact O-N 3.16Å
365	K	97.2	Very high	98.2	Very high	101 Å²	101	48.8 Å²	48.8	44%	0.439	22%	0.224	S	C	.	.	S	Bend	trans	-118.2	154.7	-174.6	-58.5	-60.7	176.7	-169.6	0	111	T114 L362 F363 F367	T114-K365 HydrophobicContact CG2-CB 4.23Å; T114-K365 HydrophobicContact CG2-CD 4.42Å; T114-K365 HydrophobicContact CG2-CG 3.96Å; L362-K365 WeakPolarHBondContact O-CB 3.48Å; L362-K365 PolarHBondContact O-N 3.37Å; F363-K365 VanDerWaalsContact C-N 3.33Å; K365-F367 PolarHBondContact O-N 2.97Å; K365-F367 VanDerWaalsContact O-N 3.08Å
366	R	96.2	Very high	98.3	Very high	239 Å²	239	48.3 Å²	48.3	90%	0.902	22%	0.221	S	C	*	.			trans	-75.8	98.2	170.4	-68.2	-175.8	179.7	-178.2	-0.3	108.2
367	F	98.1	Very high	98.3	Very high	23 Å²	23	46.7 Å²	46.7	10%	0.101	21%	0.214	C	C	.	.			trans	-136.1	138.6	179.8	-173.8	-90.3	0	0	0	109.6	L362 K365 Y369 K528 M531	L362-F367 HydrophobicContact CD1-CD1 4.25Å; L362-F367 HydrophobicContact CD1-CD2 4.01Å; L362-F367 HydrophobicContact CD1-CE1 4.33Å; L362-F367 HydrophobicContact CD1-CE2 4.08Å; L362-F367 HydrophobicContact CD1-CG 4.09Å; L362-F367 HydrophobicContact CD1-CZ 4.25Å; K365-F367 PolarHBondContact O-N 2.97Å; K365-F367 VanDerWaalsContact O-N 3.08Å; F367-Y369 AromaticContact CD1-CD1 3.89Å; F367-Y369 HydrophobicContact CD1-CD1 3.89Å; F367-Y369 HydrophobicContact CD1-CD2 4.4Å; F367-Y369 AromaticContact CD1-CE1 3.74Å; F367-Y369 HydrophobicContact CD1-CE1 3.74Å; F367-Y369 HydrophobicContact CD1-CE2 4.27Å; F367-Y369 HydrophobicContact CD1-CG 4.23Å; F367-Y369 AromaticContact CD1-CZ 3.96Å; F367-Y369 AromaticContact CE1-CD1 3.88Å; F367-Y369 HydrophobicContact CE1-CD1 3.88Å; F367-Y369 AromaticContact CE1-CE1 3.99Å; F367-Y369 HydrophobicContact CE1-CE1 3.99Å; F367-Y369 HydrophobicContact CE1-CG 4.44Å; F367-K528 HydrophobicContact CE2-CD 4.4Å; F367-K528 HydrophobicContact CZ-CD 4.13Å; F367-M531 HydrophobicContact CE1-CB 4.3Å; F367-M531 WeakPolarHBondContact CE1-O 3.36Å; F367-M531 HydrophobicContact CE2-CB 4.48Å; F367-M531 HydrophobicContact CZ-CB 3.8Å
368	Q	98.3	Very high	98.3	Very high	100 Å²	100	47.1 Å²	47.1	47%	0.467	22%	0.217	S	C	.	.			trans	-100.2	116.5	-179.7	-65	-63.4	-42.6	0	0	109.3	S122 Q370 K528	S122-Q368 WeakPolarHBondContact OG-CB 3.48Å; Q368-Q370 HydrophobicContact CB-CG 4.18Å; Q368-Q370 PolarHBondContact O-N 2.75Å; Q368-K528 PolarHBondContact O-NZ 3.09Å
369	Y	98.6	Very high	98.3	Very high	57 Å²	57	46.2 Å²	46.2	22%	0.224	21%	0.212	C	C	.	.			trans	-81.4	63.7	178	-61.8	-80.3	0	0	0	111.2	F367 M531 G532 C536	F367-Y369 AromaticContact CD1-CD1 3.89Å; F367-Y369 HydrophobicContact CD1-CD1 3.89Å; F367-Y369 HydrophobicContact CD1-CD2 4.4Å; F367-Y369 AromaticContact CD1-CE1 3.74Å; F367-Y369 HydrophobicContact CD1-CE1 3.74Å; F367-Y369 HydrophobicContact CD1-CE2 4.27Å; F367-Y369 HydrophobicContact CD1-CG 4.23Å; F367-Y369 AromaticContact CD1-CZ 3.96Å; F367-Y369 AromaticContact CE1-CD1 3.88Å; F367-Y369 HydrophobicContact CE1-CD1 3.88Å; F367-Y369 AromaticContact CE1-CE1 3.99Å; F367-Y369 HydrophobicContact CE1-CE1 3.99Å; F367-Y369 HydrophobicContact CE1-CG 4.44Å; Y369-M531 WeakPolarHBondContact CD1-O 3.33Å; Y369-G532 CarbonylContact C-O 3.56Å; Y369-G532 WeakPolarHBondContact CA-O 3.38Å; Y369-C536 HydrophobicContact CD1-CB 4.3Å; Y369-C536 VanDerWaalsContact CE1-C 3.45Å; Y369-C536 HydrophobicContact CE1-CB 4.12Å; Y369-C536 WeakPolarHBondContact CE1-O 3.49Å
370	Q	98.4	Very high	98.3	Very high	65 Å²	65	46.2 Å²	46.2	30%	0.304	21%	0.212	S	C	.	.			trans	-151.3	157.3	174.6	64.8	-176.2	-77.5	0	0	109.3	S122 Q368 K528 G532	S122-Q370 WeakPolarHBondContact OG-CG 3.4Å; Q368-Q370 HydrophobicContact CB-CG 4.18Å; Q368-Q370 PolarHBondContact O-N 2.75Å; Q370-K528 WeakPolarHBondContact O-CE 3.4Å; Q370-K528 PolarHBondContact O-NZ 2.04Å; Q370-G532 PolarHBondContact N-O 3.23Å; Q370-G532 VanDerWaalsContact N-O 3.08Å
371	N	98.8	Very high	98.3	Very high	35 Å²	35	41.7 Å²	41.7	19%	0.187	19%	0.19	C	C	.	.			trans	-141.9	152.1	175.1	-170.2	50.3	0	0	0	111.3	H222 I373	H222-N371 PolarHBondContact O-ND2 2.88Å; N371-I373 WeakPolarHBondContact ND2-CD1 3.34Å
372	R	98.9	Very high	98.3	Very high	27 Å²	27	43.4 Å²	43.4	10%	0.102	20%	0.198	C	C	.	.			trans	-134	121	166.3	-173.9	65.1	62.7	76.8	10.2	106.8	P124 A137 Y138 L141 T145 H222 A374	P124-R372 HydrophobicContact CB-CB 3.77Å; P124-R372 HydrophobicContact CB-CG 3.92Å; P124-R372 HydrophobicContact CG-CB 3.93Å; P124-R372 HydrophobicContact CG-CG 4.12Å; A137-R372 PolarHBondContact O-NH1 3.41Å; Y138-R372 PolarHBondContact O-NH1 3.19Å; Y138-R372 PolarHBondContact O-NH2 2.84Å; L141-R372 VanDerWaalsContact CD2-CZ 3.45Å; T145-R372 HydrophobicContact CG2-CB 3.85Å; T145-R372 HydrophobicContact CG2-CG 3.6Å; T145-R372 WeakPolarHBondContact CG2-O 3.22Å; H222-R372 VanDerWaalsContact CD2-CD 3.47Å; H222-R372 WeakPolarHBondContact CD2-CD 3.33Å; H222-R372 WeakPolarHBondContact CE1-CD 3.12Å; H222-R372 WeakPolarHBondContact NE2-CD 3.49Å; R372-A374 PolarHBondContact O-N 2.78Å
373	I	98.8	Very high	98.3	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	20%	0.202	C	C	.	.			trans	-65.6	127.2	-178.5	-61.9	-69.8	0	0	0	108.9	Y144 T145 F205 F206 H222 N371 F377	Y144-I373 WeakPolarHBondContact CA-O 3.47Å; Y144-I373 HydrophobicContact CD1-CB 3.95Å; Y144-I373 HydrophobicContact CD1-CG2 3.66Å; Y144-I373 HydrophobicContact CE1-CB 4.16Å; Y144-I373 HydrophobicContact CE1-CG2 3.67Å; T145-I373 PolarHBondContact N-O 2.81Å; F205-I373 HydrophobicContact CB-CD1 3.9Å; F205-I373 HydrophobicContact CB-CG1 3.98Å; F205-I373 HydrophobicContact CD2-CD1 3.79Å; F205-I373 HydrophobicContact CG-CD1 3.91Å; F206-I373 HydrophobicContact CD1-CG2 3.78Å; F206-I373 HydrophobicContact CE1-CG2 3.47Å; F206-I373 VanDerWaalsContact CE1-CG2 3.47Å; H222-I373 HydrophobicContact CB-CG1 4.05Å; H222-I373 PolarHBondContact ND1-N 3.45Å; N371-I373 WeakPolarHBondContact ND2-CD1 3.34Å; I373-F377 HydrophobicContact CD1-CD1 4.34Å
374	A	98.9	Very high	98.4	Very high	3 Å²	3	42.5 Å²	42.5	3%	0.025	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-85.1	143.4	177.4	0	0	0	0	0	110.5	T145 R372 E376 F377 N378 F525	T145-A374 HydrophobicContact CG2-CB 4.07Å; T145-A374 CarbonylContact O-C 3.28Å; T145-A374 VanDerWaalsContact O-CA 3.26Å; T145-A374 WeakPolarHBondContact O-CA 3.28Å; R372-A374 PolarHBondContact O-N 2.78Å; A374-E376 PolarHBondContact O-N 2.77Å; A374-F377 HydrophobicContact CB-CB 4.24Å; A374-F377 WeakPolarHBondContact O-CB 3.35Å; A374-F377 PolarHBondContact O-N 3.35Å; A374-N378 PolarHBondContact O-N 3.25Å; A374-N378 VanDerWaalsContact O-N 3.15Å; A374-F525 HydrophobicContact CB-CD1 3.98Å; A374-F525 HydrophobicContact CB-CE1 3.33Å; A374-F525 HydrophobicContact CB-CZ 3.78Å
375	S	98.9	Very high	98.5	Very high	4 Å²	4	38.5 Å²	38.5	3%	0.028	17%	0.166	C	C	.	.	H	α-helix	trans	-64	-34.1	178.1	-159.8	0	0	0	0	110.7	T145 F377 N378 T379 M454 Y456	T145-S375 PolarHBondContact O-N 3.44Å; S375-F377 VanDerWaalsContact C-N 3.27Å; S375-F377 PolarHBondContact O-N 3.05Å; S375-N378 WeakPolarHBondContact O-CB 3.42Å; S375-N378 PolarHBondContact O-N 3.42Å; S375-N378 VanDerWaalsContact O-N 3.15Å; S375-T379 PolarHBondContact O-N 3.14Å; S375-T379 PolarHBondContact O-OG1 3.05Å; S375-T379 VanDerWaalsContact O-OG1 3.13Å; S375-M454 WeakPolarHBondContact OG-CE 3.31Å; S375-M454 PolarHBondContact OG-SD 3.07Å; S375-Y456 WeakPolarHBondContact CB-OH 3.48Å; S375-Y456 PolarHBondContact O-OH 3.17Å; S375-Y456 PolarHBondContact OG-OH 3.42Å
376	E	98.9	Very high	98.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.6	-32.3	174.8	-55.9	89.9	157.9	0	0	112	R146 A147 A374 T379 L380 Y456 Y462 L499 F525	R146-E376 WeakPolarHBondContact CA-OE1 3.35Å; R146-E376 WeakPolarHBondContact CA-OE2 3.42Å; R146-E376 WeakPolarHBondContact CD-OE1 3.39Å; R146-E376 IonicContact CZ-OE1 3.4Å; R146-E376 IonicContact NE-OE1 3.67Å; R146-E376 PolarHBondContact NE-OE1 2.69Å; R146-E376 IonicContact NE-OE2 2.71Å; A147-E376 PolarHBondContact N-OE1 3.29Å; A147-E376 PolarHBondContact N-OE2 3.2Å; A374-E376 PolarHBondContact O-N 2.77Å; E376-T379 PolarHBondContact O-N 3.12Å; E376-L380 WeakPolarHBondContact O-CB 3.41Å; E376-L380 WeakPolarHBondContact O-CD2 3.31Å; E376-L380 WeakPolarHBondContact O-CG 3.42Å; E376-L380 PolarHBondContact O-N 2.7Å; E376-Y456 HydrophobicContact CB-CE2 4.34Å; E376-Y456 HydrophobicContact CG-CD2 4.33Å; E376-Y456 HydrophobicContact CG-CE2 3.84Å; E376-Y456 PolarHBondContact N-OH 2.95Å; E376-Y462 HydrophobicContact CG-CD1 4.46Å; E376-Y462 HydrophobicContact CG-CE1 3.53Å; E376-Y462 VanDerWaalsContact CG-OH 3.32Å; E376-Y462 WeakPolarHBondContact CG-OH 3.39Å; E376-Y462 PolarHBondContact OE1-OH 2.85Å; E376-Y462 VanDerWaalsContact OE1-OH 3.11Å; E376-L499 HydrophobicContact CB-CD2 4.25Å; E376-L499 HydrophobicContact CG-CD2 4.36Å; E376-F525 HydrophobicContact CB-CE2 4.5Å; E376-F525 HydrophobicContact CB-CZ 4.45Å
377	F	98.9	Very high	98.7	Very high	9 Å²	9	23.6 Å²	23.6	4%	0.039	11%	0.108	C	C	.	.	H	α-helix	trans	-68.5	-37.5	173.5	-172.4	-144.5	0	0	0	111.8	F205 F206 I373 A374 S375 L380 Y381 F525	F205-F377 AromaticContact CE2-CE1 3.99Å; F205-F377 HydrophobicContact CE2-CE1 3.99Å; F205-F377 HydrophobicContact CZ-CE1 4.48Å; F206-F377 HydrophobicContact CE1-CB 4.4Å; F206-F377 AromaticContact CE1-CD1 3.88Å; F206-F377 HydrophobicContact CE1-CD1 3.88Å; F206-F377 HydrophobicContact CE1-CE1 4.44Å; F206-F377 HydrophobicContact CE1-CG 4.19Å; F206-F377 VanDerWaalsContact CZ-C 3.5Å; F206-F377 HydrophobicContact CZ-CB 4.34Å; F206-F377 AromaticContact CZ-CD1 3.59Å; F206-F377 HydrophobicContact CZ-CD1 3.59Å; F206-F377 HydrophobicContact CZ-CD2 4.19Å; F206-F377 AromaticContact CZ-CE1 3.87Å; F206-F377 HydrophobicContact CZ-CE1 3.87Å; F206-F377 HydrophobicContact CZ-CE2 4.45Å; F206-F377 AromaticContact CZ-CG 3.77Å; F206-F377 HydrophobicContact CZ-CG 3.77Å; F206-F377 HydrophobicContact CZ-CZ 4.3Å; F206-F377 VanDerWaalsContact CZ-O 3.24Å; F206-F377 WeakPolarHBondContact CZ-O 3.46Å; I373-F377 HydrophobicContact CD1-CD1 4.34Å; A374-F377 HydrophobicContact CB-CB 4.24Å; A374-F377 WeakPolarHBondContact O-CB 3.35Å; A374-F377 PolarHBondContact O-N 3.35Å; S375-F377 VanDerWaalsContact C-N 3.27Å; S375-F377 PolarHBondContact O-N 3.05Å; F377-L380 HydrophobicContact CB-CD2 4.44Å; F377-L380 HydrophobicContact CD2-CD1 4.01Å; F377-L380 HydrophobicContact CD2-CD2 3.86Å; F377-L380 HydrophobicContact CD2-CG 3.94Å; F377-L380 HydrophobicContact CE2-CD1 4.29Å; F377-L380 WeakPolarHBondContact O-CG 3.36Å; F377-Y381 HydrophobicContact CD2-CD2 4.18Å; F377-Y381 AromaticContact CE2-CD2 3.49Å; F377-Y381 HydrophobicContact CE2-CD2 3.49Å; F377-Y381 VanDerWaalsContact CE2-CD2 3.49Å; F377-Y381 AromaticContact CE2-CE2 3.79Å; F377-Y381 HydrophobicContact CE2-CE2 3.79Å; F377-Y381 AromaticContact CZ-CD2 3.83Å; F377-Y381 HydrophobicContact CZ-CD2 3.83Å; F377-Y381 AromaticContact CZ-CE2 3.83Å; F377-Y381 HydrophobicContact CZ-CE2 3.83Å; F377-Y381 PolarHBondContact O-N 2.68Å; F377-F525 HydrophobicContact CB-CB 3.98Å; F377-F525 HydrophobicContact CB-CD1 4.13Å; F377-F525 HydrophobicContact CB-CD2 3.81Å; F377-F525 HydrophobicContact CB-CE2 4.26Å; F377-F525 HydrophobicContact CB-CG 3.73Å; F377-F525 HydrophobicContact CD1-CB 3.77Å; F377-F525 HydrophobicContact CD1-CG 4.42Å; F377-F525 HydrophobicContact CD2-CB 3.52Å; F377-F525 HydrophobicContact CD2-CD2 4.06Å; F377-F525 HydrophobicContact CD2-CG 4.06Å; F377-F525 HydrophobicContact CE1-CB 4.09Å; F377-F525 HydrophobicContact CE2-CB 3.84Å; F377-F525 HydrophobicContact CG-CB 3.48Å; F377-F525 VanDerWaalsContact CG-CB 3.48Å; F377-F525 HydrophobicContact CG-CD2 4.11Å; F377-F525 AromaticContact CG-CG 3.83Å; F377-F525 HydrophobicContact CG-CG 3.83Å; F377-F525 HydrophobicContact CZ-CB 4.12Å
378	N	98.9	Very high	98.7	Very high	13 Å²	13	22.6 Å²	22.6	7%	0.07	10%	0.104	C	C	.	.	H	α-helix	trans	-61.2	-52.9	170.3	-178.5	-51.4	0	0	0	110.2	Y144 F206 S208 A374 S375 L380 Y381 H382	Y144-N378 PolarHBondContact OH-ND2 3.4Å; Y144-N378 VanDerWaalsContact OH-ND2 3.09Å; F206-N378 HydrophobicContact CD1-CB 3.57Å; F206-N378 HydrophobicContact CE1-CB 3.68Å; F206-N378 HydrophobicContact CG-CB 4.22Å; F206-N378 HydrophobicContact CZ-CB 4.41Å; S208-N378 PolarHBondContact OG-ND2 3.07Å; A374-N378 PolarHBondContact O-N 3.25Å; A374-N378 VanDerWaalsContact O-N 3.15Å; S375-N378 WeakPolarHBondContact O-CB 3.42Å; S375-N378 PolarHBondContact O-N 3.42Å; S375-N378 VanDerWaalsContact O-N 3.15Å; N378-L380 PolarHBondContact O-N 2.81Å; N378-Y381 PolarHBondContact O-N 3.27Å; N378-H382 PolarHBondContact O-CE1 3.29Å; N378-H382 PolarHBondContact O-ND1 2.9Å; N378-H382 VanDerWaalsContact O-ND1 3.16Å; N378-H382 PolarHBondContact OD1-CE1 3.19Å
379	T	98.8	Very high	98.7	Very high	4 Å²	4	22.1 Å²	22.1	3%	0.025	11%	0.105	C	C	.	.	H	α-helix	trans	-55.6	-46.4	179.2	-57.5	0	0	0	0	112.6	S375 E376 Y381 H382 Y456 Y500	S375-T379 PolarHBondContact O-N 3.14Å; S375-T379 PolarHBondContact O-OG1 3.05Å; S375-T379 VanDerWaalsContact O-OG1 3.13Å; E376-T379 PolarHBondContact O-N 3.12Å; T379-Y381 VanDerWaalsContact C-N 3.27Å; T379-Y381 PolarHBondContact O-N 3.3Å; T379-H382 WeakPolarHBondContact CA-ND1 3.48Å; T379-H382 PolarHBondContact O-N 2.96Å; T379-H382 PolarHBondContact O-ND1 3.09Å; T379-Y456 HydrophobicContact CG2-CE2 4.21Å; T379-Y456 WeakPolarHBondContact OG1-CE2 3.45Å; T379-Y456 PolarHBondContact OG1-OH 3.32Å; T379-Y500 HydrophobicContact CG2-CD2 3.96Å; T379-Y500 HydrophobicContact CG2-CG 4.12Å; T379-Y500 WeakPolarHBondContact O-CD2 3.47Å
380	L	98.2	Very high	98.7	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-69.4	-22.5	-175.9	79.8	90.8	0	0	0	113.5	E376 F377 N378 H382 W383 L503 M518 M521 F525	E376-L380 WeakPolarHBondContact O-CB 3.41Å; E376-L380 WeakPolarHBondContact O-CD2 3.31Å; E376-L380 WeakPolarHBondContact O-CG 3.42Å; E376-L380 PolarHBondContact O-N 2.7Å; F377-L380 HydrophobicContact CB-CD2 4.44Å; F377-L380 HydrophobicContact CD2-CD1 4.01Å; F377-L380 HydrophobicContact CD2-CD2 3.86Å; F377-L380 HydrophobicContact CD2-CG 3.94Å; F377-L380 HydrophobicContact CE2-CD1 4.29Å; F377-L380 WeakPolarHBondContact O-CG 3.36Å; N378-L380 PolarHBondContact O-N 2.81Å; L380-H382 VanDerWaalsContact C-N 3.34Å; L380-W383 VanDerWaalsContact O-CD1 3.22Å; L380-W383 PolarHBondContact O-NE1 3.18Å; L380-L503 HydrophobicContact CB-CD1 3.77Å; L380-M518 HydrophobicContact CB-SD 4.15Å; L380-M518 HydrophobicContact CD1-SD 4Å; L380-M518 VanDerWaalsContact O-SD 3.34Å; L380-M521 HydrophobicContact CD2-CB 4.36Å; L380-F525 HydrophobicContact CD2-CD2 3.82Å; L380-F525 HydrophobicContact CD2-CE2 4.05Å
381	Y	98.6	Very high	98.7	Very high	20 Å²	20	17.5 Å²	17.5	8%	0.078	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	7.8	-178.5	-129	-58	0	0	0	114.4	A198 T202 F206 Y344 F377 N378 T379 W383	A198-Y381 HydrophobicContact CB-CE1 4.33Å; T202-Y381 HydrophobicContact CG2-CD1 3.62Å; T202-Y381 HydrophobicContact CG2-CD2 3.81Å; T202-Y381 HydrophobicContact CG2-CE1 3.39Å; T202-Y381 HydrophobicContact CG2-CE2 3.57Å; T202-Y381 HydrophobicContact CG2-CG 3.82Å; F206-Y381 VanDerWaalsContact CE2-CB 3.43Å; F206-Y381 AromaticContact CE2-CD2 3.72Å; F206-Y381 HydrophobicContact CE2-CD2 3.72Å; F206-Y381 AromaticContact CE2-CG 3.77Å; F206-Y381 HydrophobicContact CE2-CG 3.77Å; F206-Y381 HydrophobicContact CZ-CD2 4.13Å; Y344-Y381 WeakPolarHBondContact CE1-OH 3.15Å; Y344-Y381 VanDerWaalsContact CZ-OH 3.3Å; Y344-Y381 WeakPolarHBondContact OH-CE1 3.39Å; Y344-Y381 PolarHBondContact OH-OH 2.85Å; F377-Y381 HydrophobicContact CD2-CD2 4.18Å; F377-Y381 AromaticContact CE2-CD2 3.49Å; F377-Y381 HydrophobicContact CE2-CD2 3.49Å; F377-Y381 VanDerWaalsContact CE2-CD2 3.49Å; F377-Y381 AromaticContact CE2-CE2 3.79Å; F377-Y381 HydrophobicContact CE2-CE2 3.79Å; F377-Y381 AromaticContact CZ-CD2 3.83Å; F377-Y381 HydrophobicContact CZ-CD2 3.83Å; F377-Y381 AromaticContact CZ-CE2 3.83Å; F377-Y381 HydrophobicContact CZ-CE2 3.83Å; F377-Y381 PolarHBondContact O-N 2.68Å; N378-Y381 PolarHBondContact O-N 3.27Å; T379-Y381 VanDerWaalsContact C-N 3.27Å; T379-Y381 PolarHBondContact O-N 3.3Å; Y381-W383 AromaticContact CD1-CD2 3.75Å; Y381-W383 HydrophobicContact CD1-CD2 3.75Å; Y381-W383 AromaticContact CD1-CE2 3.77Å; Y381-W383 AromaticContact CD1-CE3 3.89Å; Y381-W383 HydrophobicContact CD1-CE3 3.89Å; Y381-W383 HydrophobicContact CD1-CG 4.35Å; Y381-W383 HydrophobicContact CD1-CH2 4.05Å; Y381-W383 AromaticContact CD1-CZ2 3.91Å; Y381-W383 HydrophobicContact CD1-CZ2 3.91Å; Y381-W383 HydrophobicContact CD1-CZ3 4.07Å; Y381-W383 HydrophobicContact CD2-CZ2 4.5Å; Y381-W383 AromaticContact CE1-CD2 3.9Å; Y381-W383 HydrophobicContact CE1-CD2 3.9Å; Y381-W383 AromaticContact CE1-CE3 3.54Å; Y381-W383 HydrophobicContact CE1-CE3 3.54Å; Y381-W383 AromaticContact CE1-CH2 3.45Å; Y381-W383 HydrophobicContact CE1-CH2 3.45Å; Y381-W383 VanDerWaalsContact CE1-CH2 3.45Å; Y381-W383 AromaticContact CE1-CZ2 3.8Å; Y381-W383 HydrophobicContact CE1-CZ2 3.8Å; Y381-W383 AromaticContact CE1-CZ3 3.35Å; Y381-W383 HydrophobicContact CE1-CZ3 3.35Å; Y381-W383 HydrophobicContact CE2-CH2 4.28Å; Y381-W383 HydrophobicContact CE2-CZ2 4.42Å; Y381-W383 HydrophobicContact CG-CZ2 4.27Å; Y381-W383 AromaticContact CZ-CH2 3.6Å; Y381-W383 AromaticContact CZ-CZ3 3.86Å; Y381-W383 PolarHBondContact O-N 2.97Å
382	H	98.8	Very high	98.7	Very high	44 Å²	44	20 Å²	20	20%	0.204	10%	0.098	C	C	.	.			trans	-75.8	63.2	174.5	-69.3	107.8	0	0	0	111.8	N378 T379 L380 H384 Y500	N378-H382 PolarHBondContact O-CE1 3.29Å; N378-H382 PolarHBondContact O-ND1 2.9Å; N378-H382 VanDerWaalsContact O-ND1 3.16Å; N378-H382 PolarHBondContact OD1-CE1 3.19Å; T379-H382 WeakPolarHBondContact CA-ND1 3.48Å; T379-H382 PolarHBondContact O-N 2.96Å; T379-H382 PolarHBondContact O-ND1 3.09Å; L380-H382 VanDerWaalsContact C-N 3.34Å; H382-H384 AromaticContact CD2-CE1 3.54Å; H382-H384 AromaticContact CG-CE1 3.89Å; H382-H384 PolarHBondContact O-N 3.22Å; H382-H384 PolarHBondContact O-ND1 3Å; H382-Y500 HydrophobicContact CB-CE2 3.62Å; H382-Y500 PolarHBondContact O-OH 3.46Å
383	W	98.7	Very high	98.6	Very high	21 Å²	21	18.8 Å²	18.8	8%	0.08	9%	0.093	C	C	.	.			trans	-80.7	42.6	-175.8	-59.2	-11.8	0	0	0	113.2	F194 Y344 L348 L380 Y381 P385 L386 V430 F514	F194-W383 HydrophobicContact CE1-CZ3 4.34Å; F194-W383 HydrophobicContact CZ-CZ3 4.17Å; Y344-W383 WeakPolarHBondContact OH-CZ3 3.44Å; L348-W383 HydrophobicContact CD1-CH2 4.3Å; L348-W383 HydrophobicContact CD1-CZ3 4.17Å; L348-W383 HydrophobicContact CD2-CH2 3.72Å; L348-W383 HydrophobicContact CD2-CZ3 4.18Å; L380-W383 VanDerWaalsContact O-CD1 3.22Å; L380-W383 PolarHBondContact O-NE1 3.18Å; Y381-W383 AromaticContact CD1-CD2 3.75Å; Y381-W383 HydrophobicContact CD1-CD2 3.75Å; Y381-W383 AromaticContact CD1-CE2 3.77Å; Y381-W383 AromaticContact CD1-CE3 3.89Å; Y381-W383 HydrophobicContact CD1-CE3 3.89Å; Y381-W383 HydrophobicContact CD1-CG 4.35Å; Y381-W383 HydrophobicContact CD1-CH2 4.05Å; Y381-W383 AromaticContact CD1-CZ2 3.91Å; Y381-W383 HydrophobicContact CD1-CZ2 3.91Å; Y381-W383 HydrophobicContact CD1-CZ3 4.07Å; Y381-W383 HydrophobicContact CD2-CZ2 4.5Å; Y381-W383 AromaticContact CE1-CD2 3.9Å; Y381-W383 HydrophobicContact CE1-CD2 3.9Å; Y381-W383 AromaticContact CE1-CE3 3.54Å; Y381-W383 HydrophobicContact CE1-CE3 3.54Å; Y381-W383 AromaticContact CE1-CH2 3.45Å; Y381-W383 HydrophobicContact CE1-CH2 3.45Å; Y381-W383 VanDerWaalsContact CE1-CH2 3.45Å; Y381-W383 AromaticContact CE1-CZ2 3.8Å; Y381-W383 HydrophobicContact CE1-CZ2 3.8Å; Y381-W383 AromaticContact CE1-CZ3 3.35Å; Y381-W383 HydrophobicContact CE1-CZ3 3.35Å; Y381-W383 HydrophobicContact CE2-CH2 4.28Å; Y381-W383 HydrophobicContact CE2-CZ2 4.42Å; Y381-W383 HydrophobicContact CG-CZ2 4.27Å; Y381-W383 AromaticContact CZ-CH2 3.6Å; Y381-W383 AromaticContact CZ-CZ3 3.86Å; Y381-W383 PolarHBondContact O-N 2.97Å; W383-P385 VanDerWaalsContact O-N 3.17Å; W383-L386 HydrophobicContact CB-CD1 3.66Å; W383-L386 HydrophobicContact CB-CG 4.13Å; W383-L386 HydrophobicContact CE3-CD1 4.08Å; W383-L386 VanDerWaalsContact O-CB 3.26Å; W383-L386 WeakPolarHBondContact O-CB 3.22Å; W383-L386 WeakPolarHBondContact O-CG 3.3Å; W383-L386 PolarHBondContact O-N 3.15Å; W383-V430 HydrophobicContact CB-CG1 4.43Å; W383-V430 HydrophobicContact CB-CG2 3.99Å; W383-V430 HydrophobicContact CG-CG1 4.28Å; W383-V430 HydrophobicContact CG-CG2 4.3Å; W383-F514 HydrophobicContact CD2-CE1 4.03Å; W383-F514 AromaticContact CD2-CZ 3.61Å; W383-F514 HydrophobicContact CD2-CZ 3.61Å; W383-F514 AromaticContact CE2-CE1 3.86Å; W383-F514 AromaticContact CE2-CZ 3.36Å; W383-F514 HydrophobicContact CE3-CE1 4.49Å; W383-F514 AromaticContact CE3-CZ 3.75Å; W383-F514 HydrophobicContact CE3-CZ 3.75Å; W383-F514 HydrophobicContact CG-CE1 4.35Å; W383-F514 HydrophobicContact CG-CZ 4.38Å; W383-F514 AromaticContact CH2-CE2 3.75Å; W383-F514 HydrophobicContact CH2-CE2 3.75Å; W383-F514 AromaticContact CH2-CZ 3.51Å; W383-F514 HydrophobicContact CH2-CZ 3.51Å; W383-F514 HydrophobicContact CZ2-CE1 4.25Å; W383-F514 AromaticContact CZ2-CE2 3.72Å; W383-F514 HydrophobicContact CZ2-CE2 3.72Å; W383-F514 AromaticContact CZ2-CZ 3.35Å; W383-F514 HydrophobicContact CZ2-CZ 3.35Å; W383-F514 HydrophobicContact CZ3-CE2 4.23Å; W383-F514 AromaticContact CZ3-CZ 3.66Å; W383-F514 HydrophobicContact CZ3-CZ 3.66Å; W383-F514 AromaticContact NE1-CE1 4Å; W383-F514 AromaticContact NE1-CZ 3.95Å
384	H	98.7	Very high	98.5	Very high	38 Å²	38	23.5 Å²	23.5	18%	0.176	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-54.1	-28.7	176.6	-57.9	103.4	0	0	0	115.4	H382 L386 M387 V436 P437 I440 V443	H382-H384 AromaticContact CD2-CE1 3.54Å; H382-H384 AromaticContact CG-CE1 3.89Å; H382-H384 PolarHBondContact O-N 3.22Å; H382-H384 PolarHBondContact O-ND1 3Å; H384-L386 PolarHBondContact O-N 3.15Å; H384-L386 VanDerWaalsContact O-N 3.11Å; H384-M387 PolarHBondContact O-N 3.39Å; H384-M387 VanDerWaalsContact O-N 3.12Å; H384-V436 HydrophobicContact CB-CG1 4.37Å; H384-P437 WeakPolarHBondContact O-CD 3.48Å; H384-I440 HydrophobicContact CB-CD1 3.8Å; H384-I440 HydrophobicContact CB-CG1 4.38Å; H384-V443 WeakPolarHBondContact CE1-CG1 3.15Å; H384-V443 WeakPolarHBondContact NE2-CG1 3.5Å
385	P	98.8	Very high	98.2	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.013	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-57.9	-19.7	172.2	-26.9	35.3	0	0	0	115.3	R180 W383 M387 G428 R429 V430 N435 V436 L504	R180-P385 PolarHBondContact NH2-O 3.06Å; W383-P385 VanDerWaalsContact O-N 3.17Å; P385-M387 PolarHBondContact O-N 3.22Å; P385-G428 CarbonylContact O-C 3.52Å; P385-G428 VanDerWaalsContact O-CA 3.26Å; P385-G428 WeakPolarHBondContact O-CA 3.43Å; P385-R429 VanDerWaalsContact CB-O 3.24Å; P385-R429 WeakPolarHBondContact CB-O 3.44Å; P385-V430 HydrophobicContact CB-CG2 4.38Å; P385-V430 HydrophobicContact CG-CG1 4.36Å; P385-N435 WeakPolarHBondContact CA-O 3.26Å; P385-N435 HydrophobicContact CB-CB 4.23Å; P385-V436 HydrophobicContact CG-CG2 3.83Å; P385-L504 HydrophobicContact CG-CD2 4.48Å
386	L	98.9	Very high	98.1	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.026	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-59.2	-32.5	174.8	-74.5	170	0	0	0	112.5	T190 F194 A195 W383 H384 A427 G428 V430 I513	T190-L386 HydrophobicContact CG2-CD2 4.2Å; F194-L386 HydrophobicContact CD1-CD1 4.42Å; F194-L386 HydrophobicContact CD1-CD2 4.39Å; F194-L386 HydrophobicContact CE1-CD1 4.17Å; F194-L386 HydrophobicContact CE1-CD2 4.35Å; A195-L386 HydrophobicContact CB-CB 3.91Å; A195-L386 HydrophobicContact CB-CD1 4.21Å; W383-L386 HydrophobicContact CB-CD1 3.66Å; W383-L386 HydrophobicContact CB-CG 4.13Å; W383-L386 HydrophobicContact CE3-CD1 4.08Å; W383-L386 VanDerWaalsContact O-CB 3.26Å; W383-L386 WeakPolarHBondContact O-CB 3.22Å; W383-L386 WeakPolarHBondContact O-CG 3.3Å; W383-L386 PolarHBondContact O-N 3.15Å; H384-L386 PolarHBondContact O-N 3.15Å; H384-L386 VanDerWaalsContact O-N 3.11Å; L386-A427 HydrophobicContact CB-CB 4.42Å; L386-A427 HydrophobicContact CD2-CB 3.83Å; L386-A427 WeakPolarHBondContact O-CA 3.49Å; L386-A427 WeakPolarHBondContact O-CB 3.39Å; L386-G428 PolarHBondContact O-N 3.03Å; L386-V430 HydrophobicContact CD2-CG2 4.15Å; L386-V430 HydrophobicContact CG-CG2 3.86Å; L386-I513 HydrophobicContact CD2-CD1 3.73Å
387	M	98.8	Very high	98.1	Very high	22 Å²	22	41.5 Å²	41.5	11%	0.108	20%	0.196	C	C	.	.	S	Bend	trans	-67.6	139.8	-174.6	-62.7	-72	97.5	0	0	111.1	R180 A195 F196 H384 P385 F391 Y400 P437 I440	R180-M387 VanDerWaalsContact CZ-O 3.29Å; R180-M387 PolarHBondContact NH1-O 3.19Å; R180-M387 PolarHBondContact NH2-O 3.1Å; A195-M387 HydrophobicContact CB-CE 3.46Å; A195-M387 VanDerWaalsContact CB-CE 3.46Å; F196-M387 HydrophobicContact CE1-CE 4.37Å; F196-M387 HydrophobicContact CE1-SD 4.27Å; H384-M387 PolarHBondContact O-N 3.39Å; H384-M387 VanDerWaalsContact O-N 3.12Å; P385-M387 PolarHBondContact O-N 3.22Å; M387-F391 HydrophobicContact SD-CE1 4.33Å; M387-F391 HydrophobicContact SD-CZ 4.47Å; M387-Y400 WeakPolarHBondContact CB-OH 3.33Å; M387-P437 HydrophobicContact CB-CG 4.03Å; M387-I440 HydrophobicContact CB-CD1 3.97Å; M387-I440 HydrophobicContact CG-CD1 3.85Å
388	P	98.6	Very high	98.1	Very high	3 Å²	3	41 Å²	41	2%	0.019	19%	0.194	C	C	.	.			trans	-76.5	-176.1	-176.2	38.2	-40.5	0	0	0	111.2	R180 L192 S390 F391 Y400	R180-P388 VanDerWaalsContact NH1-C 3.28Å; R180-P388 PolarHBondContact NH1-O 2.7Å; L192-P388 HydrophobicContact CD1-CG 3.87Å; L192-P388 HydrophobicContact CD2-CG 4.24Å; P388-S390 VanDerWaalsContact CB-O 3.25Å; P388-S390 WeakPolarHBondContact CB-O 3.41Å; P388-S390 WeakPolarHBondContact CG-O 3.31Å; P388-F391 HydrophobicContact CG-CD1 3.82Å; P388-F391 HydrophobicContact CG-CE1 3.77Å; P388-F391 HydrophobicContact CG-CG 4.32Å; P388-F391 HydrophobicContact CG-CZ 4.25Å; P388-Y400 WeakPolarHBondContact O-CE2 3.4Å; P388-Y400 PolarHBondContact O-OH 3.35Å
389	D	98.4	Very high	98	Very high	90 Å²	90	42.7 Å²	42.7	48%	0.481	21%	0.207	S	C	.	.	S	Bend	trans	-78.6	-30.1	170.3	-68.2	-22.4	0	0	0	111.9	R180	R180-D389 WeakPolarHBondContact CD-OD1 3.07Å; R180-D389 IonicContact CZ-OD1 2.8Å; R180-D389 IonicContact NE-OD1 2.85Å; R180-D389 IonicContact NH1-OD1 3.88Å; R180-D389 PolarHBondContact NH1-OD1 2.7Å
390	S	98.3	Very high	98	Very high	22 Å²	22	43.7 Å²	43.7	15%	0.154	21%	0.211	C	C	.	.	S	Bend	trans	-152.8	162.6	177.8	60.3	0	0	0	0	110.2	P388 H392 D397 Y398 Q425	P388-S390 VanDerWaalsContact CB-O 3.25Å; P388-S390 WeakPolarHBondContact CB-O 3.41Å; P388-S390 WeakPolarHBondContact CG-O 3.31Å; S390-H392 PolarHBondContact OG-CE1 3.44Å; S390-D397 WeakPolarHBondContact CB-OD1 3.36Å; S390-D397 WeakPolarHBondContact CB-OD2 3.3Å; S390-D397 PolarHBondContact OG-OD1 3.14Å; S390-D397 PolarHBondContact OG-OD2 2.79Å; S390-Y398 CarbonylContact C-O 3.43Å; S390-Y398 WeakPolarHBondContact CA-O 3.06Å; S390-Y398 WeakPolarHBondContact CB-O 3.29Å; S390-Q425 PolarHBondContact O-NE2 3.46Å
391	F	98.6	Very high	97.9	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.009	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	111.8	-174.5	-56.5	-90.9	0	0	0	110.1	L192 F196 M387 P388 D397 Y398 Y400 F403	L192-F391 HydrophobicContact CD1-CD1 4.18Å; F196-F391 HydrophobicContact CE2-CD1 4.47Å; F196-F391 HydrophobicContact CE2-CE1 4.47Å; F196-F391 HydrophobicContact CZ-CD1 4.03Å; F196-F391 AromaticContact CZ-CE1 3.7Å; F196-F391 HydrophobicContact CZ-CE1 3.7Å; M387-F391 HydrophobicContact SD-CE1 4.33Å; M387-F391 HydrophobicContact SD-CZ 4.47Å; P388-F391 HydrophobicContact CG-CD1 3.82Å; P388-F391 HydrophobicContact CG-CE1 3.77Å; P388-F391 HydrophobicContact CG-CG 4.32Å; P388-F391 HydrophobicContact CG-CZ 4.25Å; F391-D397 PolarHBondContact N-OD1 2.69Å; F391-Y398 PolarHBondContact N-O 3.16Å; F391-Y398 PolarHBondContact O-N 3.08Å; F391-Y400 HydrophobicContact CE2-CD1 4.03Å; F391-Y400 HydrophobicContact CE2-CD2 4.24Å; F391-Y400 HydrophobicContact CE2-CE1 4.05Å; F391-Y400 HydrophobicContact CE2-CE2 4.26Å; F391-Y400 HydrophobicContact CE2-CG 4.15Å; F391-Y400 HydrophobicContact CZ-CD1 4.38Å; F391-Y400 AromaticContact CZ-CE1 3.98Å; F391-Y400 HydrophobicContact CZ-CE1 3.98Å; F391-F403 HydrophobicContact CB-CD2 3.99Å; F391-F403 HydrophobicContact CB-CE2 4.15Å; F391-F403 HydrophobicContact CB-CG 4.28Å; F391-F403 HydrophobicContact CD1-CD1 4.03Å; F391-F403 AromaticContact CD1-CE1 3.78Å; F391-F403 HydrophobicContact CD1-CE1 3.78Å; F391-F403 HydrophobicContact CD1-CE2 4.41Å; F391-F403 HydrophobicContact CD1-CG 4.43Å; F391-F403 AromaticContact CD1-CZ 3.99Å; F391-F403 HydrophobicContact CD1-CZ 3.99Å; F391-F403 HydrophobicContact CD2-CB 3.68Å; F391-F403 AromaticContact CD2-CD1 3.6Å; F391-F403 HydrophobicContact CD2-CD1 3.6Å; F391-F403 HydrophobicContact CD2-CD2 4.13Å; F391-F403 HydrophobicContact CD2-CE1 4.22Å; F391-F403 AromaticContact CD2-CG 3.53Å; F391-F403 HydrophobicContact CD2-CG 3.53Å; F391-F403 AromaticContact CE1-CD1 3.97Å; F391-F403 HydrophobicContact CE1-CD1 3.97Å; F391-F403 AromaticContact CE1-CE1 3.76Å; F391-F403 HydrophobicContact CE1-CE1 3.76Å; F391-F403 HydrophobicContact CE1-CZ 4.38Å; F391-F403 HydrophobicContact CE2-CB 4.03Å; F391-F403 AromaticContact CE2-CD1 3.54Å; F391-F403 HydrophobicContact CE2-CD1 3.54Å; F391-F403 HydrophobicContact CE2-CE1 4.2Å; F391-F403 AromaticContact CE2-CG 3.92Å; F391-F403 HydrophobicContact CE2-CG 3.92Å; F391-F403 HydrophobicContact CG-CB 4.4Å; F391-F403 AromaticContact CG-CD1 3.85Å; F391-F403 HydrophobicContact CG-CD1 3.85Å; F391-F403 AromaticContact CG-CD2 4Å; F391-F403 HydrophobicContact CG-CD2 4Å; F391-F403 HydrophobicContact CG-CE1 4.02Å; F391-F403 HydrophobicContact CG-CE2 4.18Å; F391-F403 AromaticContact CG-CG 3.83Å; F391-F403 HydrophobicContact CG-CG 3.83Å; F391-F403 HydrophobicContact CG-CZ 4.18Å; F391-F403 AromaticContact CZ-CD1 3.73Å; F391-F403 HydrophobicContact CZ-CD1 3.73Å; F391-F403 AromaticContact CZ-CE1 3.97Å; F391-F403 HydrophobicContact CZ-CE1 3.97Å
392	H	98.1	Very high	97.8	Very high	89 Å²	89	55.7 Å²	55.7	41%	0.412	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	118.6	-178.3	-61.8	74.3	0	0	0	108.8	S390 D397 S421 Q425	S390-H392 PolarHBondContact OG-CE1 3.44Å; H392-D397 IonicContact CD2-OD1 3.72Å; H392-D397 IonicContact CE1-OD1 2.7Å; H392-D397 IonicContact CE1-OD2 3.72Å; H392-D397 IonicContact CG-OD1 3.15Å; H392-D397 IonicContact ND1-OD1 2.66Å; H392-D397 IonicContact NE2-OD1 2.7Å; H392-D397 IonicContact NE2-OD2 2.7Å; H392-S421 WeakPolarHBondContact O-CB 3.43Å; H392-Q425 PolarHBondContact ND1-NE2 3.02Å; H392-Q425 VanDerWaalsContact ND1-NE2 3.14Å
393	I	97.8	Very high	97.8	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	114	178	-58.5	165.9	0	0	0	107.8	E395 R396 Y398 F403 V409 H413 L418 F422	I393-E395 PolarHBondContact O-N 3.34Å; I393-R396 PolarHBondContact N-O 3.34Å; I393-R396 PolarHBondContact O-N 3.19Å; I393-Y398 HydrophobicContact CB-CD2 4.36Å; I393-Y398 HydrophobicContact CB-CE2 4.12Å; I393-Y398 HydrophobicContact CD1-CD2 3.97Å; I393-Y398 HydrophobicContact CD1-CE2 4.04Å; I393-Y398 HydrophobicContact CG1-CD2 4.39Å; I393-F403 HydrophobicContact CD1-CD2 4.43Å; I393-F403 HydrophobicContact CD1-CE2 3.94Å; I393-V409 HydrophobicContact CD1-CG1 3.5Å; I393-V409 VanDerWaalsContact CD1-CG1 3.5Å; I393-H413 HydrophobicContact CG2-CB 4.09Å; I393-L418 HydrophobicContact CD1-CD2 3.6Å; I393-L418 HydrophobicContact CG1-CD2 4.04Å; I393-L418 HydrophobicContact CG2-CD2 3.82Å; I393-F422 HydrophobicContact CD1-CE1 4.25Å; I393-F422 HydrophobicContact CD1-CZ 4.23Å; I393-F422 HydrophobicContact CG1-CE1 4.08Å; I393-F422 HydrophobicContact CG1-CZ 4.46Å
394	E	95.3	Very high	97.7	Very high	101 Å²	101	54.9 Å²	54.9	47%	0.472	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	-123.1	-167.7	-58.8	179.9	110.5	0	0	110.4	H413 N417 S421	E394-H413 IonicContact OE2-CE1 2.87Å; E394-H413 IonicContact OE2-CG 3.22Å; E394-H413 IonicContact OE2-ND1 3.35Å; E394-H413 PolarHBondContact OE2-ND1 3.33Å; E394-N417 HydrophobicContact CG-CB 4.12Å; E394-N417 PolarHBondContact OE1-ND2 2.97Å; E394-S421 PolarHBondContact N-OG 2.59Å; E394-S421 VanDerWaalsContact N-OG 3.07Å
395	E	93.7	Very high	97.6	Very high	197 Å²	197	55.8 Å²	55.8	92%	0.921	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	0.3	-179.4	-57.1	-57.5	148.9	0	0	113.6	I393	I393-E395 PolarHBondContact O-N 3.34Å
396	R	97.3	Very high	97.5	Very high	111 Å²	111	57.5 Å²	57.5	42%	0.419	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	133.7	-174.8	-171.9	166.3	174.1	-170.7	5.6	111.3	I393 Y398	I393-R396 PolarHBondContact N-O 3.34Å; I393-R396 PolarHBondContact O-N 3.19Å; R396-Y398 HydrophobicContact CB-CD2 4.4Å; R396-Y398 HydrophobicContact CB-CE2 3.86Å; R396-Y398 VanDerWaalsContact CD-CZ 3.42Å; R396-Y398 WeakPolarHBondContact CD-OH 3.24Å; R396-Y398 HydrophobicContact CG-CD2 3.99Å; R396-Y398 HydrophobicContact CG-CE2 3.58Å; R396-Y398 PolarHBondContact NH1-OH 3.32Å
397	D	97.8	Very high	96.9	Very high	77 Å²	77	57.5 Å²	57.5	41%	0.412	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	119.6	171.6	-169	16.9	0	0	0	110.4	S390 F391 H392	S390-D397 WeakPolarHBondContact CB-OD1 3.36Å; S390-D397 WeakPolarHBondContact CB-OD2 3.3Å; S390-D397 PolarHBondContact OG-OD1 3.14Å; S390-D397 PolarHBondContact OG-OD2 2.79Å; F391-D397 PolarHBondContact N-OD1 2.69Å; H392-D397 IonicContact CD2-OD1 3.72Å; H392-D397 IonicContact CE1-OD1 2.7Å; H392-D397 IonicContact CE1-OD2 3.72Å; H392-D397 IonicContact CG-OD1 3.15Å; H392-D397 IonicContact ND1-OD1 2.66Å; H392-D397 IonicContact NE2-OD1 2.7Å; H392-D397 IonicContact NE2-OD2 2.7Å
398	Y	98.5	Very high	96.6	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	124.5	-178.1	-71.5	-96.3	0	0	0	110.8	S390 F391 I393 R396 E402 V409 H413	S390-Y398 CarbonylContact C-O 3.43Å; S390-Y398 WeakPolarHBondContact CA-O 3.06Å; S390-Y398 WeakPolarHBondContact CB-O 3.29Å; F391-Y398 PolarHBondContact N-O 3.16Å; F391-Y398 PolarHBondContact O-N 3.08Å; I393-Y398 HydrophobicContact CB-CD2 4.36Å; I393-Y398 HydrophobicContact CB-CE2 4.12Å; I393-Y398 HydrophobicContact CD1-CD2 3.97Å; I393-Y398 HydrophobicContact CD1-CE2 4.04Å; I393-Y398 HydrophobicContact CG1-CD2 4.39Å; R396-Y398 HydrophobicContact CB-CD2 4.4Å; R396-Y398 HydrophobicContact CB-CE2 3.86Å; R396-Y398 VanDerWaalsContact CD-CZ 3.42Å; R396-Y398 WeakPolarHBondContact CD-OH 3.24Å; R396-Y398 HydrophobicContact CG-CD2 3.99Å; R396-Y398 HydrophobicContact CG-CE2 3.58Å; R396-Y398 PolarHBondContact NH1-OH 3.32Å; Y398-E402 HydrophobicContact CD1-CB 3.94Å; Y398-V409 HydrophobicContact CD1-CG2 4.39Å; Y398-V409 HydrophobicContact CE1-CG2 3.82Å; Y398-H413 AromaticContact CE2-NE2 3.69Å; Y398-H413 AromaticContact CZ-NE2 3.65Å; Y398-H413 PolarHBondContact OH-NE2 3.19Å
399	S	98.3	Very high	96.5	Very high	48 Å²	48	57.5 Å²	57.5	34%	0.336	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-67.9	162	165.8	68.9	0	0	0	0	111.3	K401 E402 F403	S399-K401 PolarHBondContact O-N 3.36Å; S399-K401 VanDerWaalsContact O-N 3.16Å; S399-E402 VanDerWaalsContact CB-OE2 3.3Å; S399-E402 WeakPolarHBondContact CB-OE2 3.28Å; S399-E402 PolarHBondContact N-OE2 3.19Å; S399-E402 PolarHBondContact O-N 2.79Å; S399-E402 WeakPolarHBondContact OG-CG 3.44Å; S399-E402 PolarHBondContact OG-N 2.77Å; S399-E402 PolarHBondContact OG-OE2 2.8Å; S399-F403 WeakPolarHBondContact O-CB 3.43Å; S399-F403 PolarHBondContact O-N 2.52Å
400	Y	97.9	Very high	96.3	Very high	25 Å²	25	53.2 Å²	53.2	10%	0.098	26%	0.256	C	S	.	.	H	α-helix	trans	-52.4	-37.7	172.9	-85.6	-94.3	0	0	0	113.3	M387 P388 F391 E402 F403 V404 P437 P439 I440	M387-Y400 WeakPolarHBondContact CB-OH 3.33Å; P388-Y400 WeakPolarHBondContact O-CE2 3.4Å; P388-Y400 PolarHBondContact O-OH 3.35Å; F391-Y400 HydrophobicContact CE2-CD1 4.03Å; F391-Y400 HydrophobicContact CE2-CD2 4.24Å; F391-Y400 HydrophobicContact CE2-CE1 4.05Å; F391-Y400 HydrophobicContact CE2-CE2 4.26Å; F391-Y400 HydrophobicContact CE2-CG 4.15Å; F391-Y400 HydrophobicContact CZ-CD1 4.38Å; F391-Y400 AromaticContact CZ-CE1 3.98Å; F391-Y400 HydrophobicContact CZ-CE1 3.98Å; Y400-E402 VanDerWaalsContact C-N 3.29Å; Y400-E402 PolarHBondContact O-N 2.87Å; Y400-F403 PolarHBondContact O-N 2.97Å; Y400-V404 HydrophobicContact CD1-CG2 4.48Å; Y400-V404 VanDerWaalsContact O-CB 3.3Å; Y400-V404 WeakPolarHBondContact O-CB 3.2Å; Y400-V404 WeakPolarHBondContact O-CG2 3.49Å; Y400-V404 PolarHBondContact O-N 2.77Å; Y400-P437 HydrophobicContact CE2-CB 4.42Å; Y400-P437 WeakPolarHBondContact OH-CB 3.36Å; Y400-P437 VanDerWaalsContact OH-CG 3.31Å; Y400-P437 WeakPolarHBondContact OH-CG 3.48Å; Y400-P439 HydrophobicContact CD1-CB 4.04Å; Y400-P439 HydrophobicContact CD2-CB 4.16Å; Y400-P439 HydrophobicContact CD2-CG 3.79Å; Y400-P439 HydrophobicContact CE1-CB 4.44Å; Y400-P439 HydrophobicContact CE2-CG 4.18Å; Y400-P439 HydrophobicContact CG-CB 3.87Å; Y400-P439 HydrophobicContact CG-CG 3.97Å; Y400-I440 HydrophobicContact CE1-CG2 4.03Å
401	K	96.1	Very high	96	Very high	194 Å²	194	53.6 Å²	53.6	84%	0.843	26%	0.257	S	S	*	.	H	α-helix	trans	-66.9	-33.2	-179.8	-174	-177.6	176.2	-173.1	0	112	S399	S399-K401 PolarHBondContact O-N 3.36Å; S399-K401 VanDerWaalsContact O-N 3.16Å
402	E	97.1	Very high	95.8	Very high	79 Å²	79	59 Å²	59	37%	0.369	28%	0.283	S	S	.	.	H	α-helix	trans	-85.9	-23.5	179.3	-64.6	163.1	122.7	0	0	112.5	Y398 S399 Y400 N406	Y398-E402 HydrophobicContact CD1-CB 3.94Å; S399-E402 VanDerWaalsContact CB-OE2 3.3Å; S399-E402 WeakPolarHBondContact CB-OE2 3.28Å; S399-E402 PolarHBondContact N-OE2 3.19Å; S399-E402 PolarHBondContact O-N 2.79Å; S399-E402 WeakPolarHBondContact OG-CG 3.44Å; S399-E402 PolarHBondContact OG-N 2.77Å; S399-E402 PolarHBondContact OG-OE2 2.8Å; Y400-E402 VanDerWaalsContact C-N 3.29Å; Y400-E402 PolarHBondContact O-N 2.87Å; E402-N406 WeakPolarHBondContact O-CB 3.06Å; E402-N406 PolarHBondContact O-ND2 3.22Å
403	F	97.6	Very high	95.7	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-88.8	-40.7	-178.3	-168.1	-109	0	0	0	112.9	F196 V291 P292 F391 I393 S399 Y400 N406 F422	F196-F403 HydrophobicContact CE1-CE1 4.2Å; F196-F403 HydrophobicContact CE2-CZ 4.32Å; F196-F403 AromaticContact CZ-CE1 3.65Å; F196-F403 HydrophobicContact CZ-CE1 3.65Å; F196-F403 AromaticContact CZ-CZ 3.78Å; F196-F403 HydrophobicContact CZ-CZ 3.78Å; V291-F403 HydrophobicContact CB-CD1 4.22Å; V291-F403 HydrophobicContact CB-CE1 3.79Å; V291-F403 HydrophobicContact CG1-CD1 3.97Å; V291-F403 HydrophobicContact CG1-CE1 3.97Å; P292-F403 HydrophobicContact CB-CD2 4.49Å; P292-F403 HydrophobicContact CB-CE2 3.68Å; P292-F403 HydrophobicContact CB-CZ 3.75Å; P292-F403 WeakPolarHBondContact CD-O 3.21Å; P292-F403 HydrophobicContact CG-CD2 3.83Å; P292-F403 HydrophobicContact CG-CE1 4.36Å; P292-F403 HydrophobicContact CG-CE2 3.5Å; P292-F403 HydrophobicContact CG-CG 4.38Å; P292-F403 HydrophobicContact CG-CZ 3.81Å; F391-F403 HydrophobicContact CB-CD2 3.99Å; F391-F403 HydrophobicContact CB-CE2 4.15Å; F391-F403 HydrophobicContact CB-CG 4.28Å; F391-F403 HydrophobicContact CD1-CD1 4.03Å; F391-F403 AromaticContact CD1-CE1 3.78Å; F391-F403 HydrophobicContact CD1-CE1 3.78Å; F391-F403 HydrophobicContact CD1-CE2 4.41Å; F391-F403 HydrophobicContact CD1-CG 4.43Å; F391-F403 AromaticContact CD1-CZ 3.99Å; F391-F403 HydrophobicContact CD1-CZ 3.99Å; F391-F403 HydrophobicContact CD2-CB 3.68Å; F391-F403 AromaticContact CD2-CD1 3.6Å; F391-F403 HydrophobicContact CD2-CD1 3.6Å; F391-F403 HydrophobicContact CD2-CD2 4.13Å; F391-F403 HydrophobicContact CD2-CE1 4.22Å; F391-F403 AromaticContact CD2-CG 3.53Å; F391-F403 HydrophobicContact CD2-CG 3.53Å; F391-F403 AromaticContact CE1-CD1 3.97Å; F391-F403 HydrophobicContact CE1-CD1 3.97Å; F391-F403 AromaticContact CE1-CE1 3.76Å; F391-F403 HydrophobicContact CE1-CE1 3.76Å; F391-F403 HydrophobicContact CE1-CZ 4.38Å; F391-F403 HydrophobicContact CE2-CB 4.03Å; F391-F403 AromaticContact CE2-CD1 3.54Å; F391-F403 HydrophobicContact CE2-CD1 3.54Å; F391-F403 HydrophobicContact CE2-CE1 4.2Å; F391-F403 AromaticContact CE2-CG 3.92Å; F391-F403 HydrophobicContact CE2-CG 3.92Å; F391-F403 HydrophobicContact CG-CB 4.4Å; F391-F403 AromaticContact CG-CD1 3.85Å; F391-F403 HydrophobicContact CG-CD1 3.85Å; F391-F403 AromaticContact CG-CD2 4Å; F391-F403 HydrophobicContact CG-CD2 4Å; F391-F403 HydrophobicContact CG-CE1 4.02Å; F391-F403 HydrophobicContact CG-CE2 4.18Å; F391-F403 AromaticContact CG-CG 3.83Å; F391-F403 HydrophobicContact CG-CG 3.83Å; F391-F403 HydrophobicContact CG-CZ 4.18Å; F391-F403 AromaticContact CZ-CD1 3.73Å; F391-F403 HydrophobicContact CZ-CD1 3.73Å; F391-F403 AromaticContact CZ-CE1 3.97Å; F391-F403 HydrophobicContact CZ-CE1 3.97Å; I393-F403 HydrophobicContact CD1-CD2 4.43Å; I393-F403 HydrophobicContact CD1-CE2 3.94Å; S399-F403 WeakPolarHBondContact O-CB 3.43Å; S399-F403 PolarHBondContact O-N 2.52Å; Y400-F403 PolarHBondContact O-N 2.97Å; F403-N406 PolarHBondContact O-N 2.97Å; F403-F422 HydrophobicContact CE2-CZ 4.11Å; F403-F422 HydrophobicContact CZ-CE1 4.38Å; F403-F422 AromaticContact CZ-CZ 3.9Å; F403-F422 HydrophobicContact CZ-CZ 3.9Å
404	V	97.1	Very high	95.6	Very high	48 Å²	48	56.6 Å²	56.6	29%	0.291	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	132.5	-176.5	173.6	0	0	0	0	110.9	L290 V291 Y400 N406	L290-V404 HydrophobicContact CD1-CG1 3.81Å; L290-V404 CarbonylContact O-C 3.58Å; L290-V404 WeakPolarHBondContact O-CA 3.31Å; V291-V404 HydrophobicContact CG1-CG2 4.11Å; Y400-V404 HydrophobicContact CD1-CG2 4.48Å; Y400-V404 VanDerWaalsContact O-CB 3.3Å; Y400-V404 WeakPolarHBondContact O-CB 3.2Å; Y400-V404 WeakPolarHBondContact O-CG2 3.49Å; Y400-V404 PolarHBondContact O-N 2.77Å; V404-N406 PolarHBondContact O-N 2.81Å
405	F	97.1	Very high	95.7	Very high	56 Å²	56	51.8 Å²	51.8	25%	0.246	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	17.1	-173.7	-62.9	-65	0	0	0	115.3	Y271 P272 V275 L290 T407	Y271-F405 HydrophobicContact CD1-CD1 4.4Å; P272-F405 HydrophobicContact CG-CB 4.28Å; P272-F405 HydrophobicContact CG-CD1 3.93Å; P272-F405 HydrophobicContact CG-CD2 3.45Å; P272-F405 VanDerWaalsContact CG-CD2 3.45Å; P272-F405 HydrophobicContact CG-CE1 4.06Å; P272-F405 HydrophobicContact CG-CE2 3.61Å; P272-F405 HydrophobicContact CG-CG 3.63Å; P272-F405 HydrophobicContact CG-CZ 3.91Å; V275-F405 HydrophobicContact CG2-CB 4.15Å; L290-F405 HydrophobicContact CB-CE1 4.23Å; L290-F405 HydrophobicContact CD1-CD1 4.39Å; L290-F405 HydrophobicContact CD1-CD2 4.33Å; L290-F405 HydrophobicContact CD1-CE1 3.75Å; L290-F405 HydrophobicContact CD1-CE2 3.67Å; L290-F405 HydrophobicContact CD1-CZ 3.35Å; L290-F405 PolarHBondContact O-N 3.21Å; F405-T407 PolarHBondContact O-N 2.94Å
406	N	95.8	Very high	95.8	Very high	38 Å²	38	43 Å²	43	20%	0.203	22%	0.215	C	C	.	.			trans	-99.8	85.7	178.9	-171.3	-5.4	0	0	0	111.7	P292 E402 F403 V404 T408 V409	P292-N406 VanDerWaalsContact CG-O 3.31Å; P292-N406 WeakPolarHBondContact CG-O 3.41Å; E402-N406 WeakPolarHBondContact O-CB 3.06Å; E402-N406 PolarHBondContact O-ND2 3.22Å; F403-N406 PolarHBondContact O-N 2.97Å; V404-N406 PolarHBondContact O-N 2.81Å; N406-T408 PolarHBondContact O-N 3.46Å; N406-T408 PolarHBondContact OD1-N 2.7Å; N406-T408 PolarHBondContact OD1-OG1 3.26Å; N406-V409 HydrophobicContact CB-CG2 4.12Å
407	T	87.4	Confident	95.8	Very high	6 Å²	6	40.9 Å²	40.9	4%	0.037	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-8.8	178.8	49.7	0	0	0	0	113.8	Y271 Q279 F281 F405 V409 M410	Y271-T407 HydrophobicContact CE1-CG2 3.83Å; Q279-T407 WeakPolarHBondContact O-CB 3.49Å; Q279-T407 PolarHBondContact O-OG1 2.77Å; F281-T407 HydrophobicContact CD2-CG2 4Å; F281-T407 HydrophobicContact CE2-CG2 4.38Å; F405-T407 PolarHBondContact O-N 2.94Å; T407-V409 VanDerWaalsContact C-N 3.3Å; T407-V409 PolarHBondContact O-N 3.04Å; T407-M410 WeakPolarHBondContact O-CG 3.23Å
408	T	92.9	Very high	95.7	Very high	25 Å²	25	37.2 Å²	37.2	15%	0.153	19%	0.192	C	C	.	.	H	α-helix	trans	-73.7	-26.2	178.1	74.8	0	0	0	0	112	Q279 N406 M410 T411 E412	Q279-T408 HydrophobicContact CG-CG2 4.23Å; N406-T408 PolarHBondContact O-N 3.46Å; N406-T408 PolarHBondContact OD1-N 2.7Å; N406-T408 PolarHBondContact OD1-OG1 3.26Å; T408-M410 PolarHBondContact O-N 2.91Å; T408-T411 WeakPolarHBondContact CA-OG1 3.5Å; T408-T411 PolarHBondContact O-N 2.97Å; T408-T411 PolarHBondContact O-OG1 3.12Å; T408-E412 WeakPolarHBondContact CB-OE1 3.18Å; T408-E412 WeakPolarHBondContact O-CB 3.26Å; T408-E412 VanDerWaalsContact O-CG 3.31Å; T408-E412 WeakPolarHBondContact O-CG 3.5Å; T408-E412 PolarHBondContact O-N 2.79Å; T408-E412 PolarHBondContact OG1-OE1 2.96Å
409	V	95.8	Very high	95.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-49.7	-44.9	176.5	176.2	0	0	0	0	111.7	P292 I393 Y398 N406 T407 H413 L418	P292-V409 HydrophobicContact CB-CB 4.27Å; P292-V409 HydrophobicContact CB-CG1 4.18Å; P292-V409 HydrophobicContact CG-CB 3.86Å; P292-V409 HydrophobicContact CG-CG1 4.11Å; P292-V409 HydrophobicContact CG-CG2 4.2Å; I393-V409 HydrophobicContact CD1-CG1 3.5Å; I393-V409 VanDerWaalsContact CD1-CG1 3.5Å; Y398-V409 HydrophobicContact CD1-CG2 4.39Å; Y398-V409 HydrophobicContact CE1-CG2 3.82Å; N406-V409 HydrophobicContact CB-CG2 4.12Å; T407-V409 VanDerWaalsContact C-N 3.3Å; T407-V409 PolarHBondContact O-N 3.04Å; V409-H413 WeakPolarHBondContact O-CB 3.42Å; V409-H413 PolarHBondContact O-CD2 2.73Å; V409-H413 VanDerWaalsContact O-CD2 3.25Å; V409-H413 PolarHBondContact O-N 3.22Å; V409-L418 HydrophobicContact CG1-CD2 4.11Å
410	M	93.3	Very high	95.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-71.4	-33.3	-179.8	53.1	179.7	-77.7	0	0	113.7	Y258 F281 M295 T407 T408 G414 I415 L418	Y258-M410 HydrophobicContact CD1-CE 3.14Å; Y258-M410 HydrophobicContact CE1-CE 3.44Å; Y258-M410 VanDerWaalsContact CE1-CE 3.44Å; Y258-M410 HydrophobicContact CG-CE 4.24Å; Y258-M410 PolarHBondContact OH-O 3.04Å; Y258-M410 VanDerWaalsContact OH-O 3.13Å; F281-M410 HydrophobicContact CD2-CE 4.03Å; F281-M410 HydrophobicContact CD2-SD 3.79Å; F281-M410 HydrophobicContact CE2-CE 3.53Å; F281-M410 HydrophobicContact CE2-CG 4.13Å; F281-M410 HydrophobicContact CE2-SD 3.41Å; F281-M410 WeakPolarHBondContact CE2-SD 3.38Å; F281-M410 HydrophobicContact CZ-CE 4Å; F281-M410 HydrophobicContact CZ-SD 4.38Å; M295-M410 HydrophobicContact CB-SD 3.67Å; M295-M410 HydrophobicContact CG-CE 3.75Å; M295-M410 HydrophobicContact CG-SD 3.21Å; M295-M410 WeakPolarHBondContact CG-SD 3.49Å; T407-M410 WeakPolarHBondContact O-CG 3.23Å; T408-M410 PolarHBondContact O-N 2.91Å; M410-G414 WeakPolarHBondContact O-CA 3.48Å; M410-G414 PolarHBondContact O-N 2.78Å; M410-I415 HydrophobicContact CB-CD1 4.4Å; M410-L418 HydrophobicContact CB-CD1 3.78Å
411	T	93.1	Very high	95.6	Very high	29 Å²	29	36.5 Å²	36.5	18%	0.178	19%	0.187	C	C	.	.	H	α-helix	trans	-83	-26.8	178.8	50.9	0	0	0	0	113	V253 Y258 F281 T408	V253-T411 HydrophobicContact CG1-CG2 4.18Å; Y258-T411 HydrophobicContact CE1-CG2 4.37Å; Y258-T411 HydrophobicContact CE2-CG2 4.28Å; F281-T411 HydrophobicContact CZ-CG2 3.9Å; T408-T411 WeakPolarHBondContact CA-OG1 3.5Å; T408-T411 PolarHBondContact O-N 2.97Å; T408-T411 PolarHBondContact O-OG1 3.12Å
412	E	94.8	Very high	95.7	Very high	117 Å²	117	27.2 Å²	27.2	55%	0.547	15%	0.146	S	C	.	.	H	α-helix	trans	-75.9	-48.7	176.7	-74.9	170.9	-158.7	0	0	111	T408	T408-E412 WeakPolarHBondContact CB-OE1 3.18Å; T408-E412 WeakPolarHBondContact O-CB 3.26Å; T408-E412 VanDerWaalsContact O-CG 3.31Å; T408-E412 WeakPolarHBondContact O-CG 3.5Å; T408-E412 PolarHBondContact O-N 2.79Å; T408-E412 PolarHBondContact OG1-OE1 2.96Å
413	H	95.7	Very high	95.8	Very high	26 Å²	26	23.6 Å²	23.6	12%	0.12	13%	0.129	C	C	.	.	H	α-helix	trans	-87.6	-26.3	-178.5	-67.4	-76	0	0	0	113.6	I393 E394 Y398 V409 N417	I393-H413 HydrophobicContact CG2-CB 4.09Å; E394-H413 IonicContact OE2-CE1 2.87Å; E394-H413 IonicContact OE2-CG 3.22Å; E394-H413 IonicContact OE2-ND1 3.35Å; E394-H413 PolarHBondContact OE2-ND1 3.33Å; Y398-H413 AromaticContact CE2-NE2 3.69Å; Y398-H413 AromaticContact CZ-NE2 3.65Å; Y398-H413 PolarHBondContact OH-NE2 3.19Å; V409-H413 WeakPolarHBondContact O-CB 3.42Å; V409-H413 PolarHBondContact O-CD2 2.73Å; V409-H413 VanDerWaalsContact O-CD2 3.25Å; V409-H413 PolarHBondContact O-N 3.22Å; H413-N417 HydrophobicContact CB-CB 4.42Å; H413-N417 WeakPolarHBondContact O-CB 3.45Å; H413-N417 PolarHBondContact O-ND2 3.19Å
414	G	95.3	Very high	95.8	Very high	11 Å²	11	29.2 Å²	29.2	11%	0.113	15%	0.154	C	C	.	.	H	α-helix	trans	78.9	157.7	-171.2	0	0	0	0	0	113.2	M410 G416 L418	M410-G414 WeakPolarHBondContact O-CA 3.48Å; M410-G414 PolarHBondContact O-N 2.78Å; G414-G416 VanDerWaalsContact C-N 3.34Å; G414-G416 PolarHBondContact O-N 2.95Å; G414-L418 WeakPolarHBondContact O-CG 3.19Å; G414-L418 PolarHBondContact O-N 2.97Å
415	I	97.1	Very high	95.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.7	-36.4	-175.5	-60.1	-58.2	0	0	0	111.9	Y258 M296 T299 I300 M410 L418 V419 V568	Y258-I415 HydrophobicContact CE1-CD1 3.92Å; Y258-I415 HydrophobicContact CE1-CG1 3.96Å; M296-I415 HydrophobicContact CB-CD1 4.43Å; M296-I415 HydrophobicContact CG-CD1 4.2Å; M296-I415 HydrophobicContact CG-CG2 4.11Å; T299-I415 HydrophobicContact CG2-CD1 4.05Å; T299-I415 HydrophobicContact CG2-CG1 3.97Å; I300-I415 HydrophobicContact CD1-CG2 3.99Å; I300-I415 HydrophobicContact CG1-CG2 3.77Å; M410-I415 HydrophobicContact CB-CD1 4.4Å; I415-L418 PolarHBondContact O-N 3.41Å; I415-V419 HydrophobicContact CG2-CG2 4.34Å; I415-V419 WeakPolarHBondContact O-CG2 3.49Å; I415-V419 PolarHBondContact O-N 3.4Å; I415-V568 HydrophobicContact CG2-CG2 3.89Å
416	G	96.2	Very high	95.9	Very high	14 Å²	14	27.7 Å²	27.7	14%	0.144	15%	0.148	C	C	.	.	H	α-helix	trans	-62.4	-46.1	-178.6	0	0	0	0	0	113.5	G414 L418 V419 D420 V568	G414-G416 VanDerWaalsContact C-N 3.34Å; G414-G416 PolarHBondContact O-N 2.95Å; G416-L418 VanDerWaalsContact C-N 3.35Å; G416-L418 PolarHBondContact O-N 2.87Å; G416-V419 PolarHBondContact O-N 2.95Å; G416-D420 PolarHBondContact O-N 3.45Å; G416-V568 VanDerWaalsContact CA-CG1 3.42Å
417	N	96.3	Very high	96	Very high	65 Å²	65	25.9 Å²	25.9	35%	0.348	14%	0.138	S	C	.	.	H	α-helix	trans	-68.7	-33.6	178.7	-71.3	-19.2	0	0	0	112.5	E394 H413 S421	E394-N417 HydrophobicContact CG-CB 4.12Å; E394-N417 PolarHBondContact OE1-ND2 2.97Å; H413-N417 HydrophobicContact CB-CB 4.42Å; H413-N417 WeakPolarHBondContact O-CB 3.45Å; H413-N417 PolarHBondContact O-ND2 3.19Å; N417-S421 VanDerWaalsContact O-CB 3.27Å; N417-S421 WeakPolarHBondContact O-CB 3.3Å; N417-S421 PolarHBondContact O-N 3.01Å; N417-S421 PolarHBondContact O-OG 3.14Å
418	L	97.4	Very high	96.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.3	-45.7	171.6	-72	178.7	0	0	0	111.8	M296 I393 V409 M410 G414 I415 G416 D420 S421 F422	M296-L418 HydrophobicContact CB-CD1 4.35Å; M296-L418 HydrophobicContact CG-CB 4.35Å; M296-L418 HydrophobicContact CG-CD1 4.39Å; M296-L418 HydrophobicContact SD-CB 3.73Å; I393-L418 HydrophobicContact CD1-CD2 3.6Å; I393-L418 HydrophobicContact CG1-CD2 4.04Å; I393-L418 HydrophobicContact CG2-CD2 3.82Å; V409-L418 HydrophobicContact CG1-CD2 4.11Å; M410-L418 HydrophobicContact CB-CD1 3.78Å; G414-L418 WeakPolarHBondContact O-CG 3.19Å; G414-L418 PolarHBondContact O-N 2.97Å; I415-L418 PolarHBondContact O-N 3.41Å; G416-L418 VanDerWaalsContact C-N 3.35Å; G416-L418 PolarHBondContact O-N 2.87Å; L418-D420 PolarHBondContact O-N 2.91Å; L418-S421 PolarHBondContact O-N 3.16Å; L418-F422 HydrophobicContact CB-CD2 4.33Å; L418-F422 HydrophobicContact CB-CE2 4.04Å; L418-F422 HydrophobicContact CD2-CE2 4.02Å; L418-F422 HydrophobicContact CD2-CZ 3.9Å; L418-F422 HydrophobicContact CG-CE2 4.5Å; L418-F422 WeakPolarHBondContact O-CB 3.32Å; L418-F422 WeakPolarHBondContact O-CD2 3.13Å; L418-F422 VanDerWaalsContact O-CG 3.23Å; L418-F422 WeakPolarHBondContact O-CG 3.36Å; L418-F422 PolarHBondContact O-N 2.82Å
419	V	98.1	Very high	96.8	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.9	-45.8	177.4	171.4	0	0	0	0	111	M193 M296 I300 I415 G416 T423 V564 P573 A575	M193-V419 HydrophobicContact CE-CG1 4.01Å; M193-V419 HydrophobicContact CE-CG2 4Å; M193-V419 HydrophobicContact SD-CG1 4.34Å; M193-V419 HydrophobicContact SD-CG2 4.46Å; M296-V419 HydrophobicContact SD-CG2 3.83Å; I300-V419 HydrophobicContact CD1-CG2 4.05Å; I415-V419 HydrophobicContact CG2-CG2 4.34Å; I415-V419 WeakPolarHBondContact O-CG2 3.49Å; I415-V419 PolarHBondContact O-N 3.4Å; G416-V419 PolarHBondContact O-N 2.95Å; V419-T423 VanDerWaalsContact O-CB 3.24Å; V419-T423 WeakPolarHBondContact O-CB 3.26Å; V419-T423 PolarHBondContact O-N 2.72Å; V419-T423 PolarHBondContact O-OG1 3.45Å; V419-V564 HydrophobicContact CG1-CG1 3.93Å; V419-V564 HydrophobicContact CG1-CG2 4.32Å; V419-V564 HydrophobicContact CG2-CG1 4.36Å; V419-V564 HydrophobicContact CG2-CG2 4.49Å; V419-P573 HydrophobicContact CB-CG 4.25Å; V419-P573 HydrophobicContact CG1-CB 4.44Å; V419-P573 HydrophobicContact CG1-CG 4.07Å; V419-A575 HydrophobicContact CG1-CB 3.94Å
420	D	96.8	Very high	97	Very high	48 Å²	48	27.2 Å²	27.2	26%	0.257	14%	0.14	S	C	.	.	H	α-helix	trans	-61.5	-48.2	178	-179.8	72.9	0	0	0	111.7	G416 L418 T423 K424 P573	G416-D420 PolarHBondContact O-N 3.45Å; L418-D420 PolarHBondContact O-N 2.91Å; D420-T423 PolarHBondContact O-N 2.74Å; D420-K424 WeakPolarHBondContact O-CG 3.12Å; D420-K424 PolarHBondContact O-N 3.29Å; D420-K424 VanDerWaalsContact O-N 3.11Å; D420-K424 WeakPolarHBondContact OD1-CE 3.39Å; D420-K424 IonicContact OD1-NZ 2.69Å; D420-K424 PolarHBondContact OD1-NZ 3.45Å; D420-K424 WeakPolarHBondContact OD2-CE 3.41Å; D420-K424 IonicContact OD2-NZ 2.64Å; D420-K424 PolarHBondContact OD2-NZ 3.31Å; D420-P573 HydrophobicContact CB-CB 4.32Å
421	S	97.6	Very high	97.2	Very high	10 Å²	10	27.2 Å²	27.2	7%	0.07	14%	0.14	C	C	.	.	H	α-helix	trans	-63.4	-46.6	-179.9	-58.8	0	0	0	0	112.2	H392 E394 N417 L418 T423 K424 Q425	H392-S421 WeakPolarHBondContact O-CB 3.43Å; E394-S421 PolarHBondContact N-OG 2.59Å; E394-S421 VanDerWaalsContact N-OG 3.07Å; N417-S421 VanDerWaalsContact O-CB 3.27Å; N417-S421 WeakPolarHBondContact O-CB 3.3Å; N417-S421 PolarHBondContact O-N 3.01Å; N417-S421 PolarHBondContact O-OG 3.14Å; L418-S421 PolarHBondContact O-N 3.16Å; S421-T423 VanDerWaalsContact C-N 3.3Å; S421-T423 PolarHBondContact O-N 2.89Å; S421-K424 PolarHBondContact O-N 3.25Å; S421-Q425 PolarHBondContact O-N 2.67Å
422	F	98.4	Very high	97.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-71	-24.5	178.7	-63.5	-30	0	0	0	113.3	S191 L192 M193 F196 M296 I393 F403 L418	S191-F422 WeakPolarHBondContact CB-O 3.5Å; L192-F422 CarbonylContact C-O 3.47Å; L192-F422 WeakPolarHBondContact CA-O 3.33Å; L192-F422 HydrophobicContact CB-CB 4.01Å; L192-F422 HydrophobicContact CB-CD1 4.2Å; L192-F422 HydrophobicContact CB-CG 4.36Å; L192-F422 HydrophobicContact CD1-CD1 4.23Å; L192-F422 PolarHBondContact N-O 3.15Å; M193-F422 HydrophobicContact CB-CB 4.4Å; M193-F422 PolarHBondContact N-O 2.87Å; F196-F422 HydrophobicContact CD2-CD1 4.42Å; F196-F422 AromaticContact CD2-CD2 3.96Å; F196-F422 HydrophobicContact CD2-CD2 3.96Å; F196-F422 HydrophobicContact CD2-CE2 4.06Å; F196-F422 HydrophobicContact CD2-CG 4.16Å; F196-F422 HydrophobicContact CD2-CZ 4.35Å; F196-F422 AromaticContact CE2-CD1 3.98Å; F196-F422 HydrophobicContact CE2-CD1 3.98Å; F196-F422 HydrophobicContact CE2-CD2 4.15Å; F196-F422 AromaticContact CE2-CE1 3.78Å; F196-F422 HydrophobicContact CE2-CE1 3.78Å; F196-F422 AromaticContact CE2-CE2 3.96Å; F196-F422 HydrophobicContact CE2-CE2 3.96Å; F196-F422 HydrophobicContact CE2-CG 4.17Å; F196-F422 AromaticContact CE2-CZ 3.77Å; F196-F422 HydrophobicContact CE2-CZ 3.77Å; M296-F422 HydrophobicContact CE-CD2 3.96Å; M296-F422 HydrophobicContact CE-CE2 4.42Å; M296-F422 HydrophobicContact SD-CD2 3.67Å; M296-F422 HydrophobicContact SD-CE2 3.9Å; I393-F422 HydrophobicContact CD1-CE1 4.25Å; I393-F422 HydrophobicContact CD1-CZ 4.23Å; I393-F422 HydrophobicContact CG1-CE1 4.08Å; I393-F422 HydrophobicContact CG1-CZ 4.46Å; F403-F422 HydrophobicContact CE2-CZ 4.11Å; F403-F422 HydrophobicContact CZ-CE1 4.38Å; F403-F422 AromaticContact CZ-CZ 3.9Å; F403-F422 HydrophobicContact CZ-CZ 3.9Å; L418-F422 HydrophobicContact CB-CD2 4.33Å; L418-F422 HydrophobicContact CB-CE2 4.04Å; L418-F422 HydrophobicContact CD2-CE2 4.02Å; L418-F422 HydrophobicContact CD2-CZ 3.9Å; L418-F422 HydrophobicContact CG-CE2 4.5Å; L418-F422 WeakPolarHBondContact O-CB 3.32Å; L418-F422 WeakPolarHBondContact O-CD2 3.13Å; L418-F422 VanDerWaalsContact O-CG 3.23Å; L418-F422 WeakPolarHBondContact O-CG 3.36Å; L418-F422 PolarHBondContact O-N 2.82Å
423	T	98.3	Very high	97.6	Very high	2 Å²	2	21 Å²	21	1%	0.012	11%	0.113	C	C	.	.	H	α-helix	trans	-71.1	-34.1	171.8	-64	0	0	0	0	111.4	S191 V419 D420 S421 V574 P580	S191-T423 VanDerWaalsContact CB-O 3.32Å; S191-T423 WeakPolarHBondContact CB-O 3.36Å; V419-T423 VanDerWaalsContact O-CB 3.24Å; V419-T423 WeakPolarHBondContact O-CB 3.26Å; V419-T423 PolarHBondContact O-N 2.72Å; V419-T423 PolarHBondContact O-OG1 3.45Å; D420-T423 PolarHBondContact O-N 2.74Å; S421-T423 VanDerWaalsContact C-N 3.3Å; S421-T423 PolarHBondContact O-N 2.89Å; T423-V574 HydrophobicContact CG2-CG1 4.41Å; T423-V574 PolarHBondContact OG1-O 2.87Å; T423-P580 HydrophobicContact CG2-CG 4.16Å
424	K	97.6	Very high	97.7	Very high	118 Å²	118	21.4 Å²	21.4	51%	0.513	11%	0.113	S	C	.	.	H	α-helix	trans	-84.3	-25.3	-178.8	-70.7	169.1	-179.1	167.9	0	114	D420 S421 V579	D420-K424 WeakPolarHBondContact O-CG 3.12Å; D420-K424 PolarHBondContact O-N 3.29Å; D420-K424 VanDerWaalsContact O-N 3.11Å; D420-K424 WeakPolarHBondContact OD1-CE 3.39Å; D420-K424 IonicContact OD1-NZ 2.69Å; D420-K424 PolarHBondContact OD1-NZ 3.45Å; D420-K424 WeakPolarHBondContact OD2-CE 3.41Å; D420-K424 IonicContact OD2-NZ 2.64Å; D420-K424 PolarHBondContact OD2-NZ 3.31Å; S421-K424 PolarHBondContact O-N 3.25Å; K424-V579 WeakPolarHBondContact O-CG1 3.48Å
425	Q	98.1	Very high	97.9	Very high	26 Å²	26	21 Å²	21	12%	0.121	11%	0.109	C	C	.	.	S	Bend	trans	-84.4	124.4	-178.8	-168.9	174.7	1.3	0	0	111.9	S191 L192 S390 H392 S421	S191-Q425 CarbonylContact C-O 3.52Å; S191-Q425 WeakPolarHBondContact CA-O 3.37Å; L192-Q425 HydrophobicContact CD1-CB 3.93Å; L192-Q425 HydrophobicContact CD1-CG 3.76Å; L192-Q425 HydrophobicContact CG-CB 3.99Å; L192-Q425 HydrophobicContact CG-CG 4.02Å; L192-Q425 PolarHBondContact N-O 3.21Å; S390-Q425 PolarHBondContact O-NE2 3.46Å; H392-Q425 PolarHBondContact ND1-NE2 3.02Å; H392-Q425 VanDerWaalsContact ND1-NE2 3.14Å; S421-Q425 PolarHBondContact O-N 2.67Å
426	T	98.2	Very high	98	Very high	47 Å²	47	21 Å²	21	29%	0.288	11%	0.109	S	C	.	.	B	Isolated β-bridge	trans	-70.7	137.7	178.1	-49.7	0	0	0	0	112.5	P185	P185-T426 HydrophobicContact CB-CG2 3.81Å
427	A	98.8	Very high	98.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-86.9	159.8	171.6	0	0	0	0	0	112.1	D186 T190 L192 A195 L386	D186-A427 WeakPolarHBondContact CB-O 3.38Å; D186-A427 PolarHBondContact N-O 2.78Å; T190-A427 HydrophobicContact CG2-CB 3.92Å; T190-A427 WeakPolarHBondContact O-CB 3.41Å; T190-A427 PolarHBondContact O-N 3.15Å; L192-A427 HydrophobicContact CD2-CB 4.1Å; A195-A427 HydrophobicContact CB-CB 4.48Å; L386-A427 HydrophobicContact CB-CB 4.42Å; L386-A427 HydrophobicContact CD2-CB 3.83Å; L386-A427 WeakPolarHBondContact O-CA 3.49Å; L386-A427 WeakPolarHBondContact O-CB 3.39Å
428	G	98.7	Very high	98.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-81.5	151	179.1	0	0	0	0	0	114.1	I184 P385 L386	I184-G428 CarbonylContact O-C 3.53Å; I184-G428 WeakPolarHBondContact O-CA 3.35Å; P385-G428 CarbonylContact O-C 3.52Å; P385-G428 VanDerWaalsContact O-CA 3.26Å; P385-G428 WeakPolarHBondContact O-CA 3.43Å; L386-G428 PolarHBondContact O-N 3.03Å
429	R	98.7	Very high	98.1	Very high	55 Å²	55	24 Å²	24	21%	0.208	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-65.4	139.6	172.8	-165.2	-177.3	71.2	-167.2	-1.3	111.3	I184 P385 A431 N435	I184-R429 HydrophobicContact CG2-CB 4.16Å; I184-R429 PolarHBondContact O-N 3.36Å; P385-R429 VanDerWaalsContact CB-O 3.24Å; P385-R429 WeakPolarHBondContact CB-O 3.44Å; R429-A431 PolarHBondContact NE-O 3.1Å; R429-A431 PolarHBondContact NH2-O 2.88Å; R429-N435 PolarHBondContact N-ND2 3.39Å; R429-N435 PolarHBondContact O-ND2 2.85Å
430	V	98.7	Very high	98.1	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.018	15%	0.145	C	C	.	.			trans	-89.5	-46.8	-176.2	177.4	0	0	0	0	113.7	W383 P385 L386 L504 I513 F514 M518	W383-V430 HydrophobicContact CB-CG1 4.43Å; W383-V430 HydrophobicContact CB-CG2 3.99Å; W383-V430 HydrophobicContact CG-CG1 4.28Å; W383-V430 HydrophobicContact CG-CG2 4.3Å; P385-V430 HydrophobicContact CB-CG2 4.38Å; P385-V430 HydrophobicContact CG-CG1 4.36Å; L386-V430 HydrophobicContact CD2-CG2 4.15Å; L386-V430 HydrophobicContact CG-CG2 3.86Å; V430-L504 HydrophobicContact CG1-CD2 3.87Å; V430-I513 HydrophobicContact CB-CG1 4.3Å; V430-I513 HydrophobicContact CG2-CD1 4.14Å; V430-I513 HydrophobicContact CG2-CG1 4.06Å; V430-I513 PolarHBondContact N-O 2.94Å; V430-F514 HydrophobicContact CB-CD1 3.69Å; V430-F514 HydrophobicContact CB-CE1 3.43Å; V430-F514 VanDerWaalsContact CB-CE1 3.43Å; V430-F514 HydrophobicContact CG1-CD1 3.95Å; V430-F514 HydrophobicContact CG1-CE1 3.63Å; V430-F514 HydrophobicContact CG2-CD1 4.41Å; V430-F514 HydrophobicContact CG2-CE1 3.7Å; V430-M518 HydrophobicContact CG1-CE 4.18Å
431	A	98.1	Very high	98.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	-84.8	171.7	178.1	0	0	0	0	0	112.9	R429 L504 P508 I513	R429-A431 PolarHBondContact NE-O 3.1Å; R429-A431 PolarHBondContact NH2-O 2.88Å; A431-L504 CarbonylContact C-O 3.55Å; A431-L504 WeakPolarHBondContact CA-O 3.37Å; A431-P508 HydrophobicContact CB-CB 4.36Å; A431-P508 HydrophobicContact CB-CG 3.97Å; A431-I513 PolarHBondContact N-O 3.44Å
432	G	97.9	Very high	98.2	Very high	11 Å²	11	30.9 Å²	30.9	11%	0.113	16%	0.163	C	C	.	.	S	Bend	trans	82.9	11.7	178.2	0	0	0	0	0	115.6	L504 E506	G432-L504 PolarHBondContact N-O 3.25Å; G432-E506 PolarHBondContact N-O 3.19Å
433	G	97.8	Very high	98.2	Very high	4 Å²	4	33.4 Å²	33.4	4%	0.041	18%	0.178	C	C	.	.	S	Bend	trans	73.2	172.3	170.6	0	0	0	0	0	115.4	N435 L504	G433-N435 VanDerWaalsContact C-N 3.33Å; G433-N435 PolarHBondContact O-N 3.48Å; G433-L504 WeakPolarHBondContact CA-O 3.43Å; G433-L504 PolarHBondContact N-O 3.3Å
434	R	98.3	Very high	98.2	Very high	35 Å²	35	33.3 Å²	33.3	13%	0.132	18%	0.177	C	C	.	.	S	Bend	trans	51.1	42.3	168.3	-59.7	176.1	172.4	175.3	-3.6	115	K176 L177 L178 V179 R180 E482	K176-R434 PolarHBondContact O-NE 2.74Å; L177-R434 WeakPolarHBondContact O-CG 3.16Å; L177-R434 PolarHBondContact O-N 2.8Å; L178-R434 CarbonylContact O-C 3.57Å; L178-R434 WeakPolarHBondContact O-CA 3.34Å; V179-R434 CarbonylContact O-C 2.96Å; V179-R434 VanDerWaalsContact O-CA 3.29Å; V179-R434 WeakPolarHBondContact O-CA 3.42Å; R180-R434 WeakPolarHBondContact CA-O 3.4Å; R434-E482 IonicContact CZ-OE1 3.7Å; R434-E482 IonicContact CZ-OE2 3.59Å; R434-E482 VanDerWaalsContact NH1-CD 3.32Å; R434-E482 IonicContact NH1-OE1 3.84Å; R434-E482 PolarHBondContact NH1-OE1 3.03Å; R434-E482 IonicContact NH1-OE2 3.65Å; R434-E482 PolarHBondContact NH1-OE2 3.33Å; R434-E482 VanDerWaalsContact NH2-CD 3.32Å; R434-E482 IonicContact NH2-OE1 3.52Å; R434-E482 PolarHBondContact NH2-OE1 3.47Å; R434-E482 IonicContact NH2-OE2 3.81Å
435	N	98.8	Very high	98.2	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.016	16%	0.158	C	C	.	.			trans	-138.5	8.7	-179.4	-154.7	31.8	0	0	0	115.1	L178 R180 I184 P385 R429 G433	L178-N435 PolarHBondContact O-N 3.38Å; R180-N435 PolarHBondContact NE-O 3.27Å; R180-N435 VanDerWaalsContact NE-O 3.14Å; R180-N435 PolarHBondContact NE-OD1 3.43Å; R180-N435 PolarHBondContact NH2-O 2.97Å; I184-N435 HydrophobicContact CD1-CB 4.43Å; I184-N435 PolarHBondContact N-OD1 3.24Å; I184-N435 VanDerWaalsContact N-OD1 3.09Å; I184-N435 PolarHBondContact O-ND2 3.5Å; P385-N435 WeakPolarHBondContact CA-O 3.26Å; P385-N435 HydrophobicContact CB-CB 4.23Å; R429-N435 PolarHBondContact N-ND2 3.39Å; R429-N435 PolarHBondContact O-ND2 2.85Å; G433-N435 VanDerWaalsContact C-N 3.33Å; G433-N435 PolarHBondContact O-N 3.48Å
436	V	98.7	Very high	98.2	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-76.4	121.6	171.6	-179.3	0	0	0	0	109.3	L178 V179 R180 H384 P385 I440 L441 A444 L504	L178-V436 HydrophobicContact CB-CG2 4.16Å; L178-V436 WeakPolarHBondContact O-CB 3.31Å; L178-V436 PolarHBondContact O-N 3.18Å; V179-V436 CarbonylContact C-O 3.6Å; R180-V436 VanDerWaalsContact CB-O 3.28Å; R180-V436 WeakPolarHBondContact CB-O 3.29Å; R180-V436 PolarHBondContact N-O 2.92Å; H384-V436 HydrophobicContact CB-CG1 4.37Å; P385-V436 HydrophobicContact CG-CG2 3.83Å; V436-I440 HydrophobicContact CG1-CG1 4.49Å; V436-L441 HydrophobicContact CB-CD1 4.13Å; V436-L441 HydrophobicContact CG1-CD1 4Å; V436-A444 HydrophobicContact CG1-CB 4.35Å; V436-L504 HydrophobicContact CG2-CD1 4.32Å
437	P	98.3	Very high	98.3	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.013	16%	0.155	C	C	.	.			trans	-59.9	140.1	179.9	-10.2	16.9	0	0	0	112	H384 M387 Y400 I440 L441	H384-P437 WeakPolarHBondContact O-CD 3.48Å; M387-P437 HydrophobicContact CB-CG 4.03Å; Y400-P437 HydrophobicContact CE2-CB 4.42Å; Y400-P437 WeakPolarHBondContact OH-CB 3.36Å; Y400-P437 VanDerWaalsContact OH-CG 3.31Å; Y400-P437 WeakPolarHBondContact OH-CG 3.48Å; P437-I440 HydrophobicContact CB-CD1 4.45Å; P437-I440 HydrophobicContact CB-CG1 4.07Å; P437-I440 HydrophobicContact CG-CD1 3.81Å; P437-I440 HydrophobicContact CG-CG1 3.91Å; P437-I440 PolarHBondContact O-N 3.3Å; P437-I440 VanDerWaalsContact O-N 3.11Å; P437-L441 PolarHBondContact O-N 3.48Å; P437-L441 VanDerWaalsContact O-N 3.1Å
438	G	97.8	Very high	98.3	Very high	46 Å²	46	28.7 Å²	28.7	47%	0.474	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-49.6	-48.1	179.8	0	0	0	0	0	114.4	I440 L441	G438-I440 PolarHBondContact O-N 2.86Å; G438-L441 WeakPolarHBondContact O-CB 3.26Å; G438-L441 PolarHBondContact O-N 2.85Å
439	P	97.3	Very high	98.3	Very high	93 Å²	93	32 Å²	32	60%	0.604	17%	0.17	S	C	*	.	G	3₁₀ helix	trans	-57.7	-23.8	-179.3	-29.2	37.5	0	0	0	115.5	Y400	Y400-P439 HydrophobicContact CD1-CB 4.04Å; Y400-P439 HydrophobicContact CD2-CB 4.16Å; Y400-P439 HydrophobicContact CD2-CG 3.79Å; Y400-P439 HydrophobicContact CE1-CB 4.44Å; Y400-P439 HydrophobicContact CE2-CG 4.18Å; Y400-P439 HydrophobicContact CG-CB 3.87Å; Y400-P439 HydrophobicContact CG-CG 3.97Å
440	I	97.5	Very high	98.3	Very high	32 Å²	32	31.3 Å²	31.3	16%	0.164	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-118.9	10.4	-177.7	63.3	178.6	0	0	0	113.2	H384 M387 Y400 V436 P437 G438 Y442 V443	H384-I440 HydrophobicContact CB-CD1 3.8Å; H384-I440 HydrophobicContact CB-CG1 4.38Å; M387-I440 HydrophobicContact CB-CD1 3.97Å; M387-I440 HydrophobicContact CG-CD1 3.85Å; Y400-I440 HydrophobicContact CE1-CG2 4.03Å; V436-I440 HydrophobicContact CG1-CG1 4.49Å; P437-I440 HydrophobicContact CB-CD1 4.45Å; P437-I440 HydrophobicContact CB-CG1 4.07Å; P437-I440 HydrophobicContact CG-CD1 3.81Å; P437-I440 HydrophobicContact CG-CG1 3.91Å; P437-I440 PolarHBondContact O-N 3.3Å; P437-I440 VanDerWaalsContact O-N 3.11Å; G438-I440 PolarHBondContact O-N 2.86Å; I440-Y442 PolarHBondContact O-N 2.96Å; I440-V443 HydrophobicContact CB-CG2 4.48Å; I440-V443 WeakPolarHBondContact O-CB 3.39Å; I440-V443 PolarHBondContact O-N 2.93Å
441	L	98.1	Very high	98.3	Very high	22 Å²	22	31.4 Å²	31.4	12%	0.115	17%	0.171	C	C	.	.	H	α-helix	trans	-57.2	-33.3	177.1	-174.4	66.7	0	0	0	112.2	A174 L178 V179 V436 P437 G438 V443 A444 I445	A174-L441 HydrophobicContact CB-CD1 4.07Å; A174-L441 HydrophobicContact CB-CD2 4.41Å; A174-L441 HydrophobicContact CB-CG 4.26Å; L178-L441 HydrophobicContact CB-CD1 4.28Å; V179-L441 HydrophobicContact CB-CD1 3.92Å; V179-L441 HydrophobicContact CB-CD2 3.82Å; V179-L441 HydrophobicContact CB-CG 4.49Å; V179-L441 HydrophobicContact CG2-CD1 4.34Å; V179-L441 HydrophobicContact CG2-CD2 3.82Å; V436-L441 HydrophobicContact CB-CD1 4.13Å; V436-L441 HydrophobicContact CG1-CD1 4Å; P437-L441 PolarHBondContact O-N 3.48Å; P437-L441 VanDerWaalsContact O-N 3.1Å; G438-L441 WeakPolarHBondContact O-CB 3.26Å; G438-L441 PolarHBondContact O-N 2.85Å; L441-V443 PolarHBondContact O-N 2.77Å; L441-A444 WeakPolarHBondContact O-CB 3.19Å; L441-A444 PolarHBondContact O-N 2.96Å; L441-I445 HydrophobicContact CG-CD1 4.49Å; L441-I445 PolarHBondContact O-N 3.14Å; L441-I445 VanDerWaalsContact O-N 3.08Å
442	Y	97.9	Very high	98.3	Very high	149 Å²	149	34.4 Å²	34.4	58%	0.584	18%	0.183	S	C	*	.	H	α-helix	trans	-56.2	-32.5	176	177.9	-97.4	0	0	0	113.1	I440 I445 K446	I440-Y442 PolarHBondContact O-N 2.96Å; Y442-I445 WeakPolarHBondContact O-CB 3.48Å; Y442-I445 PolarHBondContact O-N 2.97Å; Y442-K446 HydrophobicContact CD1-CG 4.11Å; Y442-K446 HydrophobicContact CE1-CD 4.38Å; Y442-K446 HydrophobicContact CE1-CG 3.62Å; Y442-K446 HydrophobicContact CE2-CD 4.49Å; Y442-K446 HydrophobicContact CE2-CG 4.34Å; Y442-K446 WeakPolarHBondContact O-CG 3.34Å; Y442-K446 PolarHBondContact O-N 3Å; Y442-K446 WeakPolarHBondContact OH-CE 3.16Å
443	V	98	Very high	98.3	Very high	52 Å²	52	40.8 Å²	40.8	32%	0.315	21%	0.207	S	C	.	.	H	α-helix	trans	-69.6	-36.6	177.9	-167.7	0	0	0	0	111	H384 I440 L441 K446 S447	H384-V443 WeakPolarHBondContact CE1-CG1 3.15Å; H384-V443 WeakPolarHBondContact NE2-CG1 3.5Å; I440-V443 HydrophobicContact CB-CG2 4.48Å; I440-V443 WeakPolarHBondContact O-CB 3.39Å; I440-V443 PolarHBondContact O-N 2.93Å; L441-V443 PolarHBondContact O-N 2.77Å; V443-K446 PolarHBondContact O-N 3.41Å; V443-S447 WeakPolarHBondContact O-CB 3.49Å; V443-S447 PolarHBondContact O-N 3.23Å; V443-S447 PolarHBondContact O-OG 3.28Å
444	A	98.3	Very high	98.3	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.2	-41.4	173	0	0	0	0	0	111.5	L178 V436 L441 K446 S447 I448 Y500	L178-A444 HydrophobicContact CD1-CB 4.19Å; V436-A444 HydrophobicContact CG1-CB 4.35Å; L441-A444 WeakPolarHBondContact O-CB 3.19Å; L441-A444 PolarHBondContact O-N 2.96Å; A444-K446 PolarHBondContact O-N 3.38Å; A444-S447 WeakPolarHBondContact O-CB 3.38Å; A444-S447 PolarHBondContact O-N 3.11Å; A444-I448 WeakPolarHBondContact O-CG1 3.42Å; A444-I448 PolarHBondContact O-N 3.36Å; A444-I448 VanDerWaalsContact O-N 3.14Å; A444-Y500 HydrophobicContact CB-CE1 3.98Å
445	I	98.7	Very high	98.3	Very high	20 Å²	20	42.9 Å²	42.9	10%	0.103	21%	0.214	C	C	.	.	H	α-helix	trans	-57.3	-49.3	173.1	-68.9	169.1	0	0	0	110.3	V170 K171 A174 L441 Y442 S447 I448 E449	V170-I445 HydrophobicContact CB-CG2 4.45Å; V170-I445 HydrophobicContact CG1-CB 4.11Å; V170-I445 HydrophobicContact CG1-CG1 4.31Å; V170-I445 HydrophobicContact CG1-CG2 3.73Å; K171-I445 HydrophobicContact CG-CD1 4.4Å; A174-I445 HydrophobicContact CB-CD1 4.13Å; A174-I445 HydrophobicContact CB-CG1 3.61Å; L441-I445 HydrophobicContact CG-CD1 4.49Å; L441-I445 PolarHBondContact O-N 3.14Å; L441-I445 VanDerWaalsContact O-N 3.08Å; Y442-I445 WeakPolarHBondContact O-CB 3.48Å; Y442-I445 PolarHBondContact O-N 2.97Å; I445-S447 VanDerWaalsContact C-N 3.31Å; I445-S447 PolarHBondContact O-N 2.8Å; I445-I448 PolarHBondContact O-N 2.9Å; I445-E449 WeakPolarHBondContact O-CG 3.43Å; I445-E449 PolarHBondContact O-N 2.89Å
446	K	98.5	Very high	98.3	Very high	68 Å²	68	43 Å²	43	30%	0.296	22%	0.215	S	C	.	.	H	α-helix	trans	-63.3	-33.5	176.7	-70.5	-52	-174.7	-175.6	0	113.8	Y442 V443 A444 I448 E449 N450	Y442-K446 HydrophobicContact CD1-CG 4.11Å; Y442-K446 HydrophobicContact CE1-CD 4.38Å; Y442-K446 HydrophobicContact CE1-CG 3.62Å; Y442-K446 HydrophobicContact CE2-CD 4.49Å; Y442-K446 HydrophobicContact CE2-CG 4.34Å; Y442-K446 WeakPolarHBondContact O-CG 3.34Å; Y442-K446 PolarHBondContact O-N 3Å; Y442-K446 WeakPolarHBondContact OH-CE 3.16Å; V443-K446 PolarHBondContact O-N 3.41Å; A444-K446 PolarHBondContact O-N 3.38Å; K446-I448 VanDerWaalsContact C-N 3.31Å; K446-I448 PolarHBondContact O-N 3.13Å; K446-E449 WeakPolarHBondContact CD-OE2 3.43Å; K446-E449 WeakPolarHBondContact CE-OE2 3.28Å; K446-E449 IonicContact NZ-OE1 3.85Å; K446-E449 IonicContact NZ-OE2 2.63Å; K446-E449 PolarHBondContact NZ-OE2 3.28Å; K446-E449 PolarHBondContact O-N 3.15Å; K446-N450 VanDerWaalsContact O-CB 3.22Å; K446-N450 WeakPolarHBondContact O-CB 3.44Å; K446-N450 PolarHBondContact O-N 3.09Å; K446-N450 PolarHBondContact O-ND2 3.25Å
447	S	98.6	Very high	98.3	Very high	6 Å²	6	43.6 Å²	43.6	4%	0.042	22%	0.217	C	C	.	.	H	α-helix	trans	-63.1	-39.1	175.6	-58.2	0	0	0	0	111.6	V443 A444 I445 S451	V443-S447 WeakPolarHBondContact O-CB 3.49Å; V443-S447 PolarHBondContact O-N 3.23Å; V443-S447 PolarHBondContact O-OG 3.28Å; A444-S447 WeakPolarHBondContact O-CB 3.38Å; A444-S447 PolarHBondContact O-N 3.11Å; I445-S447 VanDerWaalsContact C-N 3.31Å; I445-S447 PolarHBondContact O-N 2.8Å; S447-S451 WeakPolarHBondContact O-CB 3.45Å; S447-S451 PolarHBondContact O-N 3.36Å; S447-S451 VanDerWaalsContact O-N 3.09Å; S447-S451 PolarHBondContact O-OG 3.41Å
448	I	98.8	Very high	98.4	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-69.1	-50.9	175.3	-60.4	163.2	0	0	0	110.3	V170 L173 L178 A444 I445 K446 N450 S451 R452 E498 Y500	V170-I448 HydrophobicContact CB-CG2 4.44Å; V170-I448 HydrophobicContact CG1-CB 3.65Å; V170-I448 HydrophobicContact CG1-CD1 3.73Å; V170-I448 HydrophobicContact CG1-CG1 4.28Å; V170-I448 HydrophobicContact CG1-CG2 3.78Å; V170-I448 HydrophobicContact CG2-CG2 3.87Å; L173-I448 HydrophobicContact CD2-CD1 3.78Å; L178-I448 HydrophobicContact CD1-CD1 4.03Å; A444-I448 WeakPolarHBondContact O-CG1 3.42Å; A444-I448 PolarHBondContact O-N 3.36Å; A444-I448 VanDerWaalsContact O-N 3.14Å; I445-I448 PolarHBondContact O-N 2.9Å; K446-I448 VanDerWaalsContact C-N 3.31Å; K446-I448 PolarHBondContact O-N 3.13Å; I448-N450 VanDerWaalsContact C-N 3.29Å; I448-N450 PolarHBondContact O-N 2.86Å; I448-S451 WeakPolarHBondContact O-CB 3.38Å; I448-S451 PolarHBondContact O-N 3.05Å; I448-S451 VanDerWaalsContact O-N 3.09Å; I448-R452 WeakPolarHBondContact O-CG 3.29Å; I448-R452 PolarHBondContact O-N 2.8Å; I448-E498 VanDerWaalsContact CG2-OE2 3.31Å; I448-E498 WeakPolarHBondContact CG2-OE2 3.43Å; I448-Y500 HydrophobicContact CG1-CD1 3.8Å; I448-Y500 HydrophobicContact CG1-CE1 4.48Å
449	E	98.7	Very high	98.4	Very high	70 Å²	70	41.9 Å²	41.9	33%	0.327	20%	0.198	S	C	.	.	H	α-helix	trans	-56.1	-43.8	178.6	-70.8	177.3	-174.4	0	0	112.2	V170 I445 K446 R452 K453	V170-E449 HydrophobicContact CG1-CG 4.43Å; V170-E449 HydrophobicContact CG2-CG 4.17Å; I445-E449 WeakPolarHBondContact O-CG 3.43Å; I445-E449 PolarHBondContact O-N 2.89Å; K446-E449 WeakPolarHBondContact CD-OE2 3.43Å; K446-E449 WeakPolarHBondContact CE-OE2 3.28Å; K446-E449 IonicContact NZ-OE1 3.85Å; K446-E449 IonicContact NZ-OE2 2.63Å; K446-E449 PolarHBondContact NZ-OE2 3.28Å; K446-E449 PolarHBondContact O-N 3.15Å; E449-R452 PolarHBondContact O-N 2.87Å; E449-K453 PolarHBondContact O-N 3.47Å
450	N	98.6	Very high	98.5	Very high	40 Å²	40	37.5 Å²	37.5	21%	0.214	17%	0.169	C	C	.	.	H	α-helix	trans	-64.9	-40.8	177.2	-73.2	-19.1	0	0	0	111.7	P214 K446 I448 R452 K453 M454	P214-N450 HydrophobicContact CB-CB 3.73Å; P214-N450 HydrophobicContact CG-CB 4.13Å; K446-N450 VanDerWaalsContact O-CB 3.22Å; K446-N450 WeakPolarHBondContact O-CB 3.44Å; K446-N450 PolarHBondContact O-N 3.09Å; K446-N450 PolarHBondContact O-ND2 3.25Å; I448-N450 VanDerWaalsContact C-N 3.29Å; I448-N450 PolarHBondContact O-N 2.86Å; N450-R452 VanDerWaalsContact C-N 3.31Å; N450-R452 PolarHBondContact O-N 2.85Å; N450-K453 PolarHBondContact O-N 2.87Å; N450-M454 HydrophobicContact CB-CE 4.28Å; N450-M454 WeakPolarHBondContact O-CB 3.4Å; N450-M454 WeakPolarHBondContact O-CE 3.45Å; N450-M454 WeakPolarHBondContact O-CG 3.05Å; N450-M454 PolarHBondContact O-N 3.03Å
451	S	98.8	Very high	98.5	Very high	5 Å²	5	36.1 Å²	36.1	4%	0.035	16%	0.163	C	C	.	.	H	α-helix	trans	-61.2	-39.9	176	-58.3	0	0	0	0	111.7	S447 I448 M454 R455 Y456	S447-S451 WeakPolarHBondContact O-CB 3.45Å; S447-S451 PolarHBondContact O-N 3.36Å; S447-S451 VanDerWaalsContact O-N 3.09Å; S447-S451 PolarHBondContact O-OG 3.41Å; I448-S451 WeakPolarHBondContact O-CB 3.38Å; I448-S451 PolarHBondContact O-N 3.05Å; I448-S451 VanDerWaalsContact O-N 3.09Å; S451-M454 CarbonylContact O-C 3.56Å; S451-M454 PolarHBondContact O-N 3.45Å; S451-R455 PolarHBondContact O-N 3.17Å; S451-Y456 PolarHBondContact O-N 2.86Å; S451-Y456 VanDerWaalsContact O-N 3.09Å
452	R	98.5	Very high	98.5	Very high	64 Å²	64	35.1 Å²	35.1	24%	0.242	16%	0.158	C	C	.	.	H	α-helix	trans	-67.3	-44.1	174.4	-65.4	-179.5	-175.2	-171.1	0.5	112.2	L167 P168 I448 E449 N450 M454 R455 E498	L167-R452 HydrophobicContact CD1-CG 3.77Å; P168-R452 PolarHBondContact O-NH1 3.35Å; P168-R452 PolarHBondContact O-NH2 2.82Å; I448-R452 WeakPolarHBondContact O-CG 3.29Å; I448-R452 PolarHBondContact O-N 2.8Å; E449-R452 PolarHBondContact O-N 2.87Å; N450-R452 VanDerWaalsContact C-N 3.31Å; N450-R452 PolarHBondContact O-N 2.85Å; R452-M454 PolarHBondContact O-N 3.42Å; R452-R455 WeakPolarHBondContact O-CA 3.44Å; R452-R455 PolarHBondContact O-N 3.3Å; R452-E498 VanDerWaalsContact CG-OE2 3.26Å; R452-E498 WeakPolarHBondContact CG-OE2 3.46Å; R452-E498 IonicContact CZ-OE1 3.45Å; R452-E498 IonicContact CZ-OE2 3.59Å; R452-E498 IonicContact NE-OE1 3.39Å; R452-E498 PolarHBondContact NE-OE1 3.02Å; R452-E498 IonicContact NE-OE2 2.77Å; R452-E498 PolarHBondContact NE-OE2 3.46Å; R452-E498 IonicContact NH2-OE1 2.74Å; R452-E498 PolarHBondContact NH2-OE1 2.84Å; R452-E498 IonicContact NH2-OE2 3.54Å
453	K	98.2	Very high	98.6	Very high	144 Å²	144	28.3 Å²	28.3	63%	0.626	13%	0.131	S	C	*	.	H	α-helix	trans	-59.5	-37.8	176.5	-176.7	171.7	177	179.3	0	111.8	P214 E449 N450 R455	P214-K453 HydrophobicContact CG-CB 4.48Å; P214-K453 HydrophobicContact CG-CD 3.98Å; P214-K453 HydrophobicContact CG-CG 4.38Å; E449-K453 PolarHBondContact O-N 3.47Å; N450-K453 PolarHBondContact O-N 2.87Å; K453-R455 VanDerWaalsContact C-N 3.26Å
454	M	98.5	Very high	98.5	Very high	9 Å²	9	29.6 Å²	29.6	4%	0.044	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	3	175.8	-63.1	-175.7	-68.3	0	0	113.4	A128 R146 P214 A215 S375 N450 S451 R452 Y456	A128-M454 HydrophobicContact CB-CG 4.44Å; R146-M454 PolarHBondContact NH1-O 2.92Å; P214-M454 HydrophobicContact CB-CE 4.2Å; P214-M454 HydrophobicContact CB-CG 4.48Å; P214-M454 HydrophobicContact CB-SD 4.05Å; P214-M454 HydrophobicContact CG-CG 3.98Å; P214-M454 HydrophobicContact CG-SD 4.19Å; A215-M454 HydrophobicContact CB-CG 4.3Å; A215-M454 HydrophobicContact CB-SD 4.02Å; S375-M454 WeakPolarHBondContact OG-CE 3.31Å; S375-M454 PolarHBondContact OG-SD 3.07Å; N450-M454 HydrophobicContact CB-CE 4.28Å; N450-M454 WeakPolarHBondContact O-CB 3.4Å; N450-M454 WeakPolarHBondContact O-CE 3.45Å; N450-M454 WeakPolarHBondContact O-CG 3.05Å; N450-M454 PolarHBondContact O-N 3.03Å; S451-M454 CarbonylContact O-C 3.56Å; S451-M454 PolarHBondContact O-N 3.45Å; R452-M454 PolarHBondContact O-N 3.42Å; M454-Y456 HydrophobicContact CB-CD1 3.82Å; M454-Y456 HydrophobicContact CB-CE1 3.61Å; M454-Y456 HydrophobicContact CE-CE1 3.66Å; M454-Y456 WeakPolarHBondContact CE-OH 3.41Å; M454-Y456 PolarHBondContact O-N 3.45Å; M454-Y456 HydrophobicContact SD-CE1 4.22Å
455	R	98.6	Very high	98.5	Very high	75 Å²	75	30.4 Å²	30.4	28%	0.283	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	55.5	173.8	-60.5	162.2	44.8	70.5	22.4	112	P150 V151 P152 S451 R452 K453	P150-R455 CarbonylContact C-O 3.56Å; P150-R455 WeakPolarHBondContact CA-O 3.26Å; P150-R455 HydrophobicContact CB-CB 4.3Å; P150-R455 WeakPolarHBondContact O-CB 3.44Å; P150-R455 PolarHBondContact O-NE 2.97Å; P150-R455 VanDerWaalsContact O-NE 3.08Å; P150-R455 PolarHBondContact O-NH2 3.46Å; P150-R455 VanDerWaalsContact O-NH2 3.12Å; P150-R455 VanDerWaalsContact O-O 3.09Å; V151-R455 PolarHBondContact N-O 2.84Å; V151-R455 PolarHBondContact O-NH2 2.9Å; P152-R455 PolarHBondContact O-NH2 2.76Å; S451-R455 PolarHBondContact O-N 3.17Å; R452-R455 WeakPolarHBondContact O-CA 3.44Å; R452-R455 PolarHBondContact O-N 3.3Å; K453-R455 VanDerWaalsContact C-N 3.26Å
456	Y	98.8	Very high	98.4	Very high	6 Å²	6	29.6 Å²	29.6	2%	0.024	13%	0.131	C	C	.	.	P	Polyproline II helix	trans	-62.8	143.6	174.7	-81.5	28.9	0	0	0	110.4	R146 S375 E376 T379 S451 M454 Y462 L499	R146-Y456 VanDerWaalsContact CZ-CE1 3.47Å; S375-Y456 WeakPolarHBondContact CB-OH 3.48Å; S375-Y456 PolarHBondContact O-OH 3.17Å; S375-Y456 PolarHBondContact OG-OH 3.42Å; E376-Y456 HydrophobicContact CB-CE2 4.34Å; E376-Y456 HydrophobicContact CG-CD2 4.33Å; E376-Y456 HydrophobicContact CG-CE2 3.84Å; E376-Y456 PolarHBondContact N-OH 2.95Å; T379-Y456 HydrophobicContact CG2-CE2 4.21Å; T379-Y456 WeakPolarHBondContact OG1-CE2 3.45Å; T379-Y456 PolarHBondContact OG1-OH 3.32Å; S451-Y456 PolarHBondContact O-N 2.86Å; S451-Y456 VanDerWaalsContact O-N 3.09Å; M454-Y456 HydrophobicContact CB-CD1 3.82Å; M454-Y456 HydrophobicContact CB-CE1 3.61Å; M454-Y456 HydrophobicContact CE-CE1 3.66Å; M454-Y456 WeakPolarHBondContact CE-OH 3.41Å; M454-Y456 PolarHBondContact O-N 3.45Å; M454-Y456 HydrophobicContact SD-CE1 4.22Å; Y456-Y462 HydrophobicContact CD2-CE2 4.29Å; Y456-L499 HydrophobicContact CD2-CB 4.39Å; Y456-L499 HydrophobicContact CD2-CD2 3.96Å; Y456-L499 HydrophobicContact CE2-CD2 4.13Å
457	Q	98.7	Very high	98.3	Very high	13 Å²	13	29.4 Å²	29.4	6%	0.061	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-68.9	170.1	166.2	-61.3	-175.9	6.7	0	0	110.3	E34 L148 P149 V151 A461 Y462	E34-Q457 VanDerWaalsContact CD-OE1 3.23Å; E34-Q457 VanDerWaalsContact OE1-CG 3.23Å; E34-Q457 WeakPolarHBondContact OE1-CG 3.28Å; E34-Q457 PolarHBondContact OE1-OE1 3.23Å; E34-Q457 PolarHBondContact OE2-OE1 3.13Å; L148-Q457 HydrophobicContact CB-CG 4.45Å; L148-Q457 HydrophobicContact CD1-CB 4.37Å; P149-Q457 PolarHBondContact O-NE2 3.03Å; V151-Q457 HydrophobicContact CG2-CB 4.41Å; V151-Q457 HydrophobicContact CG2-CG 3.78Å; Q457-A461 HydrophobicContact CB-CB 3.67Å; Q457-Y462 HydrophobicContact CB-CE2 4.32Å; Q457-Y462 VanDerWaalsContact O-CE2 3.28Å; Q457-Y462 WeakPolarHBondContact O-CE2 3.35Å
458	S	98.6	Very high	98.2	Very high	10 Å²	10	29.5 Å²	29.5	7%	0.07	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-69.4	164.1	-176.5	73.2	0	0	0	0	113.2	N460 A461 Y462 D495 V497	S458-N460 PolarHBondContact O-N 3.14Å; S458-A461 WeakPolarHBondContact O-CB 3.39Å; S458-A461 PolarHBondContact O-N 3.47Å; S458-A461 VanDerWaalsContact O-N 3.13Å; S458-A461 PolarHBondContact OG-N 3.06Å; S458-Y462 VanDerWaalsContact O-CD2 3.3Å; S458-Y462 WeakPolarHBondContact O-CD2 3.03Å; S458-Y462 PolarHBondContact O-N 2.96Å; S458-Y462 VanDerWaalsContact O-N 3.15Å; S458-D495 WeakPolarHBondContact CB-O 3.42Å; S458-D495 PolarHBondContact OG-O 2.78Å; S458-V497 CarbonylContact C-O 3.54Å; S458-V497 WeakPolarHBondContact CA-O 3.29Å; S458-V497 WeakPolarHBondContact CB-O 3.26Å
459	L	98.8	Very high	98.1	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-50.3	-45.9	172.4	176.5	69.2	0	0	0	111.1	A461 Y462 R463 Y471 M477 V497 L499 T517	L459-A461 PolarHBondContact O-N 2.74Å; L459-Y462 PolarHBondContact O-N 3.45Å; L459-R463 HydrophobicContact CG-CG 4.43Å; L459-R463 WeakPolarHBondContact O-CG 3.39Å; L459-R463 PolarHBondContact O-N 3.38Å; L459-Y471 HydrophobicContact CD2-CD2 4.05Å; L459-Y471 HydrophobicContact CD2-CE2 4.26Å; L459-M477 HydrophobicContact CD2-CG 4.26Å; L459-M477 HydrophobicContact CD2-SD 3.4Å; L459-M477 WeakPolarHBondContact CD2-SD 3Å; L459-V497 HydrophobicContact CB-CB 4.47Å; L459-V497 HydrophobicContact CB-CG1 4.35Å; L459-V497 HydrophobicContact CD2-CG1 4.32Å; L459-V497 PolarHBondContact N-O 3.22Å; L459-L499 HydrophobicContact CD1-CD1 3.95Å; L459-T517 HydrophobicContact CD1-CG2 3.88Å
460	N	98.6	Very high	98	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-68.5	-32.5	-178.4	-85.2	-9.7	0	0	0	112.9	S458 R463 K464 P470 Y471 D495	S458-N460 PolarHBondContact O-N 3.14Å; N460-R463 PolarHBondContact O-N 3.29Å; N460-K464 WeakPolarHBondContact O-CG 3.48Å; N460-K464 PolarHBondContact O-N 3.04Å; N460-P470 HydrophobicContact CB-CB 3.85Å; N460-P470 WeakPolarHBondContact OD1-CA 3.36Å; N460-Y471 PolarHBondContact ND2-N 2.93Å; N460-Y471 PolarHBondContact ND2-O 3.25Å; N460-Y471 PolarHBondContact OD1-N 3.2Å; N460-D495 WeakPolarHBondContact CB-OD1 3.5Å; N460-D495 PolarHBondContact ND2-OD1 3.07Å
461	A	98.4	Very high	98	Very high	4 Å²	4	36 Å²	36	3%	0.033	17%	0.17	C	C	.	.	H	α-helix	trans	-61.2	-46.2	170.6	0	0	0	0	0	111.5	E34 L148 Q457 S458 L459 K464 R465	E34-A461 WeakPolarHBondContact OE2-CB 3.36Å; L148-A461 HydrophobicContact CD1-CB 4.1Å; Q457-A461 HydrophobicContact CB-CB 3.67Å; S458-A461 WeakPolarHBondContact O-CB 3.39Å; S458-A461 PolarHBondContact O-N 3.47Å; S458-A461 VanDerWaalsContact O-N 3.13Å; S458-A461 PolarHBondContact OG-N 3.06Å; L459-A461 PolarHBondContact O-N 2.74Å; A461-K464 PolarHBondContact O-N 2.79Å; A461-R465 PolarHBondContact O-N 3.04Å
462	Y	98.7	Very high	98	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-66	-38.7	174.3	-73.7	-70	0	0	0	112.8	R146 L148 E376 Y456 Q457 S458 L459 K464 R465 F466 L499 M521	R146-Y462 PolarHBondContact NH2-OH 3Å; L148-Y462 HydrophobicContact CB-CE1 3.8Å; L148-Y462 HydrophobicContact CD1-CD1 3.46Å; L148-Y462 VanDerWaalsContact CD1-CD1 3.46Å; L148-Y462 HydrophobicContact CD1-CD2 4.4Å; L148-Y462 HydrophobicContact CD1-CE1 3.59Å; L148-Y462 HydrophobicContact CD1-CG 3.89Å; L148-Y462 HydrophobicContact CG-CD1 4.05Å; L148-Y462 HydrophobicContact CG-CE1 3.83Å; E376-Y462 HydrophobicContact CG-CD1 4.46Å; E376-Y462 HydrophobicContact CG-CE1 3.53Å; E376-Y462 VanDerWaalsContact CG-OH 3.32Å; E376-Y462 WeakPolarHBondContact CG-OH 3.39Å; E376-Y462 PolarHBondContact OE1-OH 2.85Å; E376-Y462 VanDerWaalsContact OE1-OH 3.11Å; Y456-Y462 HydrophobicContact CD2-CE2 4.29Å; Q457-Y462 HydrophobicContact CB-CE2 4.32Å; Q457-Y462 VanDerWaalsContact O-CE2 3.28Å; Q457-Y462 WeakPolarHBondContact O-CE2 3.35Å; S458-Y462 VanDerWaalsContact O-CD2 3.3Å; S458-Y462 WeakPolarHBondContact O-CD2 3.03Å; S458-Y462 PolarHBondContact O-N 2.96Å; S458-Y462 VanDerWaalsContact O-N 3.15Å; L459-Y462 PolarHBondContact O-N 3.45Å; Y462-K464 VanDerWaalsContact C-N 3.34Å; Y462-K464 PolarHBondContact O-N 3Å; Y462-R465 WeakPolarHBondContact O-CB 3.28Å; Y462-R465 PolarHBondContact O-N 2.89Å; Y462-R465 VanDerWaalsContact O-N 3.14Å; Y462-F466 HydrophobicContact CD1-CE2 4.49Å; Y462-F466 WeakPolarHBondContact O-CD2 3.43Å; Y462-F466 PolarHBondContact O-N 2.86Å; Y462-L499 HydrophobicContact CD2-CB 4.13Å; Y462-L499 HydrophobicContact CD2-CD1 3.97Å; Y462-L499 HydrophobicContact CD2-CD2 3.88Å; Y462-L499 HydrophobicContact CD2-CG 4.21Å; Y462-L499 HydrophobicContact CE2-CB 4.26Å; Y462-L499 HydrophobicContact CE2-CD2 3.87Å; Y462-L499 HydrophobicContact CG-CD1 4.25Å; Y462-L499 HydrophobicContact CG-CD2 4.34Å; Y462-M521 HydrophobicContact CD1-CE 3.86Å; Y462-M521 HydrophobicContact CG-CE 3.92Å
463	R	98.5	Very high	98	Very high	7 Å²	7	39.8 Å²	39.8	3%	0.026	21%	0.206	C	C	.	.	H	α-helix	trans	-56.9	-48.3	174.4	-74.6	-178.8	65.3	82.8	-1.6	111.2	L459 N460 R465 F466 S467 M468 K469 Y471 E506 E516 T517	L459-R463 HydrophobicContact CG-CG 4.43Å; L459-R463 WeakPolarHBondContact O-CG 3.39Å; L459-R463 PolarHBondContact O-N 3.38Å; N460-R463 PolarHBondContact O-N 3.29Å; R463-R465 PolarHBondContact O-N 3.2Å; R463-F466 CarbonylContact O-C 3.47Å; R463-F466 PolarHBondContact O-N 3Å; R463-S467 PolarHBondContact O-N 3.19Å; R463-M468 CarbonylContact C-O 3.43Å; R463-M468 HydrophobicContact CB-CB 3.97Å; R463-M468 HydrophobicContact CB-CE 4.42Å; R463-M468 HydrophobicContact CG-CB 4.41Å; R463-M468 HydrophobicContact CG-CE 4.22Å; R463-M468 HydrophobicContact CG-SD 4.34Å; R463-M468 WeakPolarHBondContact O-CA 3.47Å; R463-M468 WeakPolarHBondContact O-CB 3.31Å; R463-M468 PolarHBondContact O-N 3.07Å; R463-K469 VanDerWaalsContact CZ-O 3.24Å; R463-K469 PolarHBondContact NE-O 2.81Å; R463-K469 PolarHBondContact NH2-O 3.03Å; R463-Y471 VanDerWaalsContact CZ-CE2 3.49Å; R463-Y471 PolarHBondContact NH1-OH 2.85Å; R463-E506 IonicContact NH1-OE1 3.36Å; R463-E506 PolarHBondContact NH1-OE1 3.19Å; R463-E516 IonicContact CZ-OE2 3.63Å; R463-E516 IonicContact NH1-OE2 3.75Å; R463-E516 PolarHBondContact NH1-OE2 3.04Å; R463-E516 IonicContact NH2-OE2 2.74Å; R463-E516 PolarHBondContact NH2-OE2 3.43Å; R463-T517 HydrophobicContact CG-CG2 4.23Å; R463-T517 PolarHBondContact NH1-OG1 3.08Å
464	K	97.7	Very high	98	Very high	78 Å²	78	33.6 Å²	33.6	34%	0.339	18%	0.179	S	C	.	.	H	α-helix	trans	-58.3	-46.8	173.8	-69.8	-179.7	-63.2	177.8	0	111.8	N460 A461 Y462 F466 S467	N460-K464 WeakPolarHBondContact O-CG 3.48Å; N460-K464 PolarHBondContact O-N 3.04Å; A461-K464 PolarHBondContact O-N 2.79Å; Y462-K464 VanDerWaalsContact C-N 3.34Å; Y462-K464 PolarHBondContact O-N 3Å; K464-F466 PolarHBondContact O-N 2.76Å; K464-S467 PolarHBondContact O-N 3.1Å
465	R	97.7	Very high	98	Very high	17 Å²	17	38 Å²	38	6%	0.064	20%	0.199	C	C	.	.	H	α-helix	trans	-57.2	-31.6	178.2	176.6	59.7	-177.3	77.1	0.3	113.2	M119 D121 A147 L148 A461 Y462 R463	M119-R465 VanDerWaalsContact O-CZ 3.31Å; M119-R465 PolarHBondContact O-NH1 2.89Å; M119-R465 PolarHBondContact O-NH2 3.03Å; D121-R465 IonicContact OD1-NH2 3.46Å; D121-R465 IonicContact OD2-CZ 3.2Å; D121-R465 IonicContact OD2-NH2 3.71Å; D121-R465 PolarHBondContact OD2-NH2 2.95Å; A147-R465 PolarHBondContact O-NE 2.81Å; L148-R465 HydrophobicContact CD1-CB 3.89Å; L148-R465 HydrophobicContact CD1-CG 4.3Å; L148-R465 HydrophobicContact CD2-CB 3.98Å; L148-R465 HydrophobicContact CD2-CG 3.9Å; L148-R465 HydrophobicContact CG-CB 4.04Å; L148-R465 HydrophobicContact CG-CG 3.92Å; A461-R465 PolarHBondContact O-N 3.04Å; Y462-R465 WeakPolarHBondContact O-CB 3.28Å; Y462-R465 PolarHBondContact O-N 2.89Å; Y462-R465 VanDerWaalsContact O-N 3.14Å; R463-R465 PolarHBondContact O-N 3.2Å
466	F	97.2	Very high	97.9	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.018	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	21.4	178.6	-73.1	-89.2	0	0	0	113.7	M119 I120 A147 Y462 R463 K464 M468 E520 M521 P524 F525	M119-F466 HydrophobicContact CB-CD1 4.41Å; M119-F466 HydrophobicContact CB-CE1 4.42Å; M119-F466 VanDerWaalsContact CE-C 3.45Å; M119-F466 VanDerWaalsContact CE-CA 3.42Å; M119-F466 HydrophobicContact CE-CB 4.33Å; M119-F466 HydrophobicContact CE-CD1 4.28Å; I120-F466 HydrophobicContact CD1-CE1 4.18Å; I120-F466 HydrophobicContact CD1-CZ 4.44Å; A147-F466 HydrophobicContact CB-CE2 4.3Å; A147-F466 HydrophobicContact CB-CZ 4.32Å; Y462-F466 HydrophobicContact CD1-CE2 4.49Å; Y462-F466 WeakPolarHBondContact O-CD2 3.43Å; Y462-F466 PolarHBondContact O-N 2.86Å; R463-F466 CarbonylContact O-C 3.47Å; R463-F466 PolarHBondContact O-N 3Å; K464-F466 PolarHBondContact O-N 2.76Å; F466-M468 VanDerWaalsContact C-N 3.25Å; F466-M468 HydrophobicContact CB-CE 3.52Å; F466-M468 PolarHBondContact O-N 3.11Å; F466-E520 WeakPolarHBondContact CD1-O 3.42Å; F466-M521 HydrophobicContact CB-CG 4.15Å; F466-M521 HydrophobicContact CD1-CG 4.32Å; F466-M521 HydrophobicContact CD2-CB 4.44Å; F466-M521 HydrophobicContact CD2-CE 4.18Å; F466-M521 HydrophobicContact CD2-CG 3.62Å; F466-M521 HydrophobicContact CD2-SD 4.29Å; F466-M521 HydrophobicContact CE2-CE 3.9Å; F466-M521 HydrophobicContact CE2-CG 4.05Å; F466-M521 HydrophobicContact CG-CB 4.45Å; F466-M521 HydrophobicContact CG-CG 3.77Å; F466-P524 HydrophobicContact CD1-CG 4.17Å; F466-P524 HydrophobicContact CE1-CB 4.09Å; F466-P524 HydrophobicContact CE1-CG 4.15Å; F466-F525 HydrophobicContact CE1-CE2 4.42Å; F466-F525 HydrophobicContact CE2-CE2 4.47Å; F466-F525 AromaticContact CZ-CE2 3.72Å; F466-F525 HydrophobicContact CZ-CE2 3.72Å; F466-F525 AromaticContact CZ-CZ 3.73Å; F466-F525 HydrophobicContact CZ-CZ 3.73Å
467	S	95.1	Very high	97.9	Very high	63 Å²	63	37 Å²	37	44%	0.441	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	29.9	175.7	-55.2	0	0	0	0	114.8	R463 K464	R463-S467 PolarHBondContact O-N 3.19Å; K464-S467 PolarHBondContact O-N 3.1Å
468	M	96.4	Very high	97.9	Very high	9 Å²	9	36.6 Å²	36.6	4%	0.044	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-98.5	156.3	168.4	-66.4	171.2	-86.3	0	0	110.2	R463 F466 E516 T517 E520 M521	R463-M468 CarbonylContact C-O 3.43Å; R463-M468 HydrophobicContact CB-CB 3.97Å; R463-M468 HydrophobicContact CB-CE 4.42Å; R463-M468 HydrophobicContact CG-CB 4.41Å; R463-M468 HydrophobicContact CG-CE 4.22Å; R463-M468 HydrophobicContact CG-SD 4.34Å; R463-M468 WeakPolarHBondContact O-CA 3.47Å; R463-M468 WeakPolarHBondContact O-CB 3.31Å; R463-M468 PolarHBondContact O-N 3.07Å; F466-M468 VanDerWaalsContact C-N 3.25Å; F466-M468 HydrophobicContact CB-CE 3.52Å; F466-M468 PolarHBondContact O-N 3.11Å; M468-E516 HydrophobicContact SD-CG 3.95Å; M468-T517 HydrophobicContact CE-CG2 4.14Å; M468-E520 HydrophobicContact CE-CB 3.71Å; M468-E520 HydrophobicContact CG-CB 4.12Å; M468-E520 HydrophobicContact CG-CG 4.24Å; M468-E520 HydrophobicContact SD-CB 3.58Å; M468-E520 VanDerWaalsContact SD-CB 3.58Å; M468-E520 HydrophobicContact SD-CG 3.98Å; M468-M521 HydrophobicContact CE-CG 3.99Å
469	K	96.3	Very high	97.8	Very high	175 Å²	175	39 Å²	39	76%	0.761	23%	0.225	S	C	*	.	P	Polyproline II helix	trans	-73.7	135.7	170.9	-66.7	-174.4	178.4	-175.7	0	109.6	R463	R463-K469 VanDerWaalsContact CZ-O 3.24Å; R463-K469 PolarHBondContact NE-O 2.81Å; R463-K469 PolarHBondContact NH2-O 3.03Å
470	P	98	Very high	97.8	Very high	62 Å²	62	41.9 Å²	41.9	40%	0.403	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-61.1	148.6	171	28.3	-34.3	0	0	0	110.1	N460	N460-P470 HydrophobicContact CB-CB 3.85Å; N460-P470 WeakPolarHBondContact OD1-CA 3.36Å
471	Y	98.5	Very high	97.8	Very high	10 Å²	10	49 Å²	49	4%	0.039	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-69.9	133	173	-75.2	-60.7	0	0	0	110.3	L459 N460 R463 D476 M477 V494 E506	L459-Y471 HydrophobicContact CD2-CD2 4.05Å; L459-Y471 HydrophobicContact CD2-CE2 4.26Å; N460-Y471 PolarHBondContact ND2-N 2.93Å; N460-Y471 PolarHBondContact ND2-O 3.25Å; N460-Y471 PolarHBondContact OD1-N 3.2Å; R463-Y471 VanDerWaalsContact CZ-CE2 3.49Å; R463-Y471 PolarHBondContact NH1-OH 2.85Å; Y471-D476 HydrophobicContact CD1-CB 4.17Å; Y471-D476 WeakPolarHBondContact CD1-OD2 3.41Å; Y471-M477 HydrophobicContact CD1-CB 4.03Å; Y471-M477 HydrophobicContact CD2-CB 3.75Å; Y471-M477 HydrophobicContact CD2-CG 3.67Å; Y471-M477 HydrophobicContact CD2-SD 4.3Å; Y471-M477 HydrophobicContact CE1-CB 4.36Å; Y471-M477 HydrophobicContact CE2-CB 4.09Å; Y471-M477 HydrophobicContact CE2-CG 3.74Å; Y471-M477 HydrophobicContact CG-CB 3.72Å; Y471-M477 HydrophobicContact CG-CG 4.19Å; Y471-V494 WeakPolarHBondContact O-CG1 3.46Å; Y471-E506 HydrophobicContact CE2-CG 4.39Å; Y471-E506 WeakPolarHBondContact OH-CG 3.38Å; Y471-E506 PolarHBondContact OH-OE1 3.2Å
472	S	97.9	Very high	97.7	Very high	100 Å²	100	53.5 Å²	53.5	70%	0.699	29%	0.291	S	S	*	.	S	Bend	trans	-87.1	-16.6	180	57.1	0	0	0	0	113.8
473	S	98.4	Very high	97.7	Very high	48 Å²	48	54 Å²	54	34%	0.336	29%	0.294	S	S	.	.	S	Bend	trans	-155.9	163	177.6	69.3	0	0	0	0	111.1	E475 D476 M477	S473-E475 VanDerWaalsContact C-N 3.29Å; S473-E475 PolarHBondContact O-N 3.27Å; S473-D476 PolarHBondContact O-N 2.98Å; S473-D476 PolarHBondContact OG-N 3.5Å; S473-D476 VanDerWaalsContact OG-N 3.14Å; S473-M477 PolarHBondContact O-N 3.15Å
474	F	98.7	Very high	97.7	Very high	14 Å²	14	53.9 Å²	53.9	6%	0.061	29%	0.294	C	S	.	.	H	α-helix	trans	-62.2	-36.4	173.8	-62.5	-82	0	0	0	112.2	M477 T478 A484 L487 E488 D493 V494 V497	F474-M477 HydrophobicContact CD1-CE 4.23Å; F474-M477 PolarHBondContact O-N 3.05Å; F474-T478 WeakPolarHBondContact O-CG2 3.34Å; F474-T478 PolarHBondContact O-N 2.03Å; F474-T478 PolarHBondContact O-OG1 3.43Å; F474-T478 VanDerWaalsContact O-OG1 3.06Å; F474-A484 HydrophobicContact CB-CB 3.75Å; F474-L487 HydrophobicContact CD1-CB 3.39Å; F474-L487 HydrophobicContact CD1-CD1 4.42Å; F474-L487 HydrophobicContact CD1-CG 4.45Å; F474-L487 HydrophobicContact CE1-CB 3.74Å; F474-L487 HydrophobicContact CG-CB 4.13Å; F474-E488 HydrophobicContact CD2-CB 3.6Å; F474-E488 HydrophobicContact CD2-CG 4.03Å; F474-E488 VanDerWaalsContact CE2-CA 3.45Å; F474-E488 HydrophobicContact CE2-CB 3.71Å; F474-E488 HydrophobicContact CE2-CG 3.92Å; F474-E488 HydrophobicContact CG-CB 4.28Å; F474-E488 HydrophobicContact CZ-CB 4.43Å; F474-D493 WeakPolarHBondContact CZ-O 3.4Å; F474-V494 HydrophobicContact CD1-CG2 4.49Å; F474-V494 HydrophobicContact CD2-CB 4.47Å; F474-V494 HydrophobicContact CE1-CB 4.42Å; F474-V494 HydrophobicContact CE2-CB 4.29Å; F474-V494 HydrophobicContact CZ-CB 4.3Å; F474-V497 HydrophobicContact CD1-CG2 4.13Å; F474-V497 HydrophobicContact CE1-CG2 3.5Å; F474-V497 HydrophobicContact CZ-CG2 4.44Å
475	E	98.3	Very high	97.8	Very high	100 Å²	100	52.7 Å²	52.7	47%	0.467	30%	0.299	S	S	.	.	H	α-helix	trans	-65.9	-37.4	175.7	-71.1	-167.1	-178.7	0	0	112.6	S473 M477 G479 A484	S473-E475 VanDerWaalsContact C-N 3.29Å; S473-E475 PolarHBondContact O-N 3.27Å; E475-M477 VanDerWaalsContact C-N 3.29Å; E475-M477 PolarHBondContact O-N 3.15Å; E475-G479 WeakPolarHBondContact O-CA 3.23Å; E475-G479 PolarHBondContact O-N 3.1Å; E475-A484 HydrophobicContact CB-CB 4.3Å; E475-A484 HydrophobicContact CG-CB 3.59Å
476	D	97.7	Very high	97.8	Very high	59 Å²	59	52.9 Å²	52.9	32%	0.316	30%	0.301	S	S	.	.	H	α-helix	trans	-63.6	-38.8	173.8	-177.2	22.7	0	0	0	111	Y471 S473 K507	Y471-D476 HydrophobicContact CD1-CB 4.17Å; Y471-D476 WeakPolarHBondContact CD1-OD2 3.41Å; S473-D476 PolarHBondContact O-N 2.98Å; S473-D476 PolarHBondContact OG-N 3.5Å; S473-D476 VanDerWaalsContact OG-N 3.14Å; D476-K507 WeakPolarHBondContact O-CD 3.08Å; D476-K507 VanDerWaalsContact O-CE 3.28Å; D476-K507 WeakPolarHBondContact O-CE 3.36Å; D476-K507 PolarHBondContact O-NZ 2.89Å; D476-K507 IonicContact OD1-NZ 3.84Å; D476-K507 PolarHBondContact OD1-NZ 2.81Å
477	M	98.3	Very high	97.9	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-67.9	-51	177.8	-177.3	-179.7	67.4	0	0	113	L459 Y471 S473 F474 E475 L487 V497 V505 K507	L459-M477 HydrophobicContact CD2-CG 4.26Å; L459-M477 HydrophobicContact CD2-SD 3.4Å; L459-M477 WeakPolarHBondContact CD2-SD 3Å; Y471-M477 HydrophobicContact CD1-CB 4.03Å; Y471-M477 HydrophobicContact CD2-CB 3.75Å; Y471-M477 HydrophobicContact CD2-CG 3.67Å; Y471-M477 HydrophobicContact CD2-SD 4.3Å; Y471-M477 HydrophobicContact CE1-CB 4.36Å; Y471-M477 HydrophobicContact CE2-CB 4.09Å; Y471-M477 HydrophobicContact CE2-CG 3.74Å; Y471-M477 HydrophobicContact CG-CB 3.72Å; Y471-M477 HydrophobicContact CG-CG 4.19Å; S473-M477 PolarHBondContact O-N 3.15Å; F474-M477 HydrophobicContact CD1-CE 4.23Å; F474-M477 PolarHBondContact O-N 3.05Å; E475-M477 VanDerWaalsContact C-N 3.29Å; E475-M477 PolarHBondContact O-N 3.15Å; M477-L487 HydrophobicContact CE-CD1 3.54Å; M477-V497 HydrophobicContact CE-CG1 4.25Å; M477-V497 HydrophobicContact CE-CG2 4.28Å; M477-V497 HydrophobicContact SD-CG1 4.08Å; M477-V505 HydrophobicContact CE-CG2 4Å; M477-K507 PolarHBondContact O-N 3.14Å
478	T	98.3	Very high	98	Very high	6 Å²	6	55.3 Å²	55.3	4%	0.037	31%	0.305	C	S	.	.	H	α-helix	trans	-87	-27.9	-171.3	61.3	0	0	0	0	113.5	F474 D480 M483 L487 V505 K507	F474-T478 WeakPolarHBondContact O-CG2 3.34Å; F474-T478 PolarHBondContact O-N 2.03Å; F474-T478 PolarHBondContact O-OG1 3.43Å; F474-T478 VanDerWaalsContact O-OG1 3.06Å; T478-D480 PolarHBondContact O-N 3.21Å; T478-D480 PolarHBondContact OG1-N 2.93Å; T478-D480 PolarHBondContact OG1-O 3.08Å; T478-M483 HydrophobicContact CG2-CB 4.14Å; T478-L487 HydrophobicContact CG2-CD1 3.53Å; T478-V505 HydrophobicContact CG2-CG2 4.38Å; T478-K507 WeakPolarHBondContact O-CB 3.43Å
479	G	97.3	Very high	98.1	Very high	61 Å²	61	61 Å²	61	63%	0.629	33%	0.332	S	S	*	.	S	Bend	trans	62.2	13.1	-165.6	0	0	0	0	0	113.8	E475	E475-G479 WeakPolarHBondContact O-CA 3.23Å; E475-G479 PolarHBondContact O-N 3.1Å
480	D	97.6	Very high	98.2	Very high	60 Å²	60	53.9 Å²	53.9	32%	0.321	30%	0.302	S	S	.	.			trans	-138.8	124	-173.9	-179.5	-87.3	0	0	0	110.7	T478 E482 M483 A484	T478-D480 PolarHBondContact O-N 3.21Å; T478-D480 PolarHBondContact OG1-N 2.93Å; T478-D480 PolarHBondContact OG1-O 3.08Å; D480-E482 WeakPolarHBondContact OD1-CB 3.38Å; D480-E482 PolarHBondContact OD1-N 3.46Å; D480-M483 HydrophobicContact CB-CB 4.44Å; D480-M483 HydrophobicContact CB-CE 3.65Å; D480-M483 PolarHBondContact OD1-N 3.42Å; D480-A484 WeakPolarHBondContact O-CB 3.28Å; D480-A484 PolarHBondContact O-N 3.43Å
481	K	98	Very high	98.2	Very high	151 Å²	151	51 Å²	51	66%	0.657	28%	0.283	S	S	*	.	H	α-helix	trans	-70.1	-34.5	-174.3	-63.7	-169	171	-174.5	0	113.5	A485	K481-A485 WeakPolarHBondContact O-CB 3.34Å; K481-A485 PolarHBondContact O-N 2.96Å
482	E	98	Very high	98.2	Very high	98 Å²	98	52.8 Å²	52.8	46%	0.458	31%	0.305	S	S	.	.	H	α-helix	trans	-69.3	-50.3	-178.1	-169.8	-158.5	153.8	0	0	110.1	R434 D480 A484 A485 I486	R434-E482 IonicContact CZ-OE1 3.7Å; R434-E482 IonicContact CZ-OE2 3.59Å; R434-E482 VanDerWaalsContact NH1-CD 3.32Å; R434-E482 IonicContact NH1-OE1 3.84Å; R434-E482 PolarHBondContact NH1-OE1 3.03Å; R434-E482 IonicContact NH1-OE2 3.65Å; R434-E482 PolarHBondContact NH1-OE2 3.33Å; R434-E482 VanDerWaalsContact NH2-CD 3.32Å; R434-E482 IonicContact NH2-OE1 3.52Å; R434-E482 PolarHBondContact NH2-OE1 3.47Å; R434-E482 IonicContact NH2-OE2 3.81Å; D480-E482 WeakPolarHBondContact OD1-CB 3.38Å; D480-E482 PolarHBondContact OD1-N 3.46Å; E482-A484 VanDerWaalsContact C-N 3.32Å; E482-A484 PolarHBondContact O-N 3.28Å; E482-A485 PolarHBondContact O-N 2.99Å; E482-I486 HydrophobicContact CG-CD1 4.4Å; E482-I486 WeakPolarHBondContact O-CG1 3.36Å; E482-I486 PolarHBondContact O-N 2.88Å; E482-I486 VanDerWaalsContact O-N 3.14Å
483	M	98	Very high	98.2	Very high	12 Å²	12	50.7 Å²	50.7	6%	0.059	29%	0.285	C	S	.	.	H	α-helix	trans	-65.3	-37.3	176.7	-67.7	-166.8	-66	0	0	111.7	L177 T478 D480 I486 L487	L177-M483 HydrophobicContact CD2-CB 4.08Å; L177-M483 HydrophobicContact CD2-CG 4.04Å; T478-M483 HydrophobicContact CG2-CB 4.14Å; D480-M483 HydrophobicContact CB-CB 4.44Å; D480-M483 HydrophobicContact CB-CE 3.65Å; D480-M483 PolarHBondContact OD1-N 3.42Å; M483-I486 PolarHBondContact O-N 2.74Å; M483-L487 WeakPolarHBondContact O-CB 3.46Å; M483-L487 WeakPolarHBondContact O-CD1 3.39Å; M483-L487 WeakPolarHBondContact O-CG 2.91Å; M483-L487 PolarHBondContact O-N 2.91Å
484	A	98.6	Very high	98.2	Very high	3 Å²	3	49 Å²	49	3%	0.025	27%	0.273	C	S	.	.	H	α-helix	trans	-60.6	-47.8	176.7	0	0	0	0	0	111.9	F474 E475 D480 E482 I486 L487 E488	F474-A484 HydrophobicContact CB-CB 3.75Å; E475-A484 HydrophobicContact CB-CB 4.3Å; E475-A484 HydrophobicContact CG-CB 3.59Å; D480-A484 WeakPolarHBondContact O-CB 3.28Å; D480-A484 PolarHBondContact O-N 3.43Å; E482-A484 VanDerWaalsContact C-N 3.32Å; E482-A484 PolarHBondContact O-N 3.28Å; A484-I486 VanDerWaalsContact C-N 3.34Å; A484-I486 PolarHBondContact O-N 3.33Å; A484-L487 PolarHBondContact O-N 2.94Å; A484-E488 WeakPolarHBondContact O-CB 3.35Å; A484-E488 PolarHBondContact O-N 2.88Å
485	A	98.6	Very high	98.2	Very high	53 Å²	53	51.4 Å²	51.4	44%	0.438	29%	0.286	S	S	.	.	H	α-helix	trans	-62.2	-40.5	177.8	0	0	0	0	0	112.3	K481 E482 E488 E489	K481-A485 WeakPolarHBondContact O-CB 3.34Å; K481-A485 PolarHBondContact O-N 2.96Å; E482-A485 PolarHBondContact O-N 2.99Å; A485-E488 PolarHBondContact O-N 3.35Å; A485-E489 WeakPolarHBondContact O-CB 3.36Å; A485-E489 PolarHBondContact O-N 3.3Å
486	I	98.5	Very high	98.2	Very high	21 Å²	21	46.7 Å²	46.7	11%	0.108	27%	0.265	C	S	.	.	H	α-helix	trans	-62.4	-45.6	174.9	-67.4	165.7	0	0	0	110.6	K176 L177 E482 M483 A484 E489 L490	K176-I486 HydrophobicContact CB-CG2 4.11Å; K176-I486 HydrophobicContact CD-CG2 3.96Å; L177-I486 HydrophobicContact CD1-CG2 4.36Å; L177-I486 HydrophobicContact CD2-CB 4.25Å; L177-I486 HydrophobicContact CD2-CD1 4.5Å; L177-I486 HydrophobicContact CD2-CG2 3.92Å; L177-I486 HydrophobicContact CG-CG2 4.15Å; E482-I486 HydrophobicContact CG-CD1 4.4Å; E482-I486 WeakPolarHBondContact O-CG1 3.36Å; E482-I486 PolarHBondContact O-N 2.88Å; E482-I486 VanDerWaalsContact O-N 3.14Å; M483-I486 PolarHBondContact O-N 2.74Å; A484-I486 VanDerWaalsContact C-N 3.34Å; A484-I486 PolarHBondContact O-N 3.33Å; I486-E489 PolarHBondContact O-N 3.1Å; I486-L490 HydrophobicContact CG2-CD1 3.88Å; I486-L490 HydrophobicContact CG2-CG 4.38Å; I486-L490 WeakPolarHBondContact O-CB 3.43Å; I486-L490 WeakPolarHBondContact O-CG 3.33Å; I486-L490 PolarHBondContact O-N 2.97Å
487	L	98.6	Very high	98.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-66	-39.4	179.6	-77.1	160.1	0	0	0	112.1	L177 F474 M477 T478 M483 A484 L490 Y491 V505	L177-L487 HydrophobicContact CD1-CD2 3.42Å; L177-L487 VanDerWaalsContact CD1-CD2 3.42Å; L177-L487 HydrophobicContact CD1-CG 3.71Å; L177-L487 HydrophobicContact CD2-CG 4.43Å; F474-L487 HydrophobicContact CD1-CB 3.39Å; F474-L487 HydrophobicContact CD1-CD1 4.42Å; F474-L487 HydrophobicContact CD1-CG 4.45Å; F474-L487 HydrophobicContact CE1-CB 3.74Å; F474-L487 HydrophobicContact CG-CB 4.13Å; M477-L487 HydrophobicContact CE-CD1 3.54Å; T478-L487 HydrophobicContact CG2-CD1 3.53Å; M483-L487 WeakPolarHBondContact O-CB 3.46Å; M483-L487 WeakPolarHBondContact O-CD1 3.39Å; M483-L487 WeakPolarHBondContact O-CG 2.91Å; M483-L487 PolarHBondContact O-N 2.91Å; A484-L487 PolarHBondContact O-N 2.94Å; L487-L490 PolarHBondContact O-N 3.42Å; L487-Y491 HydrophobicContact CD2-CD2 3.87Å; L487-Y491 HydrophobicContact CD2-CE2 3.8Å; L487-Y491 WeakPolarHBondContact O-CB 3.4Å; L487-Y491 PolarHBondContact O-N 3.45Å; L487-V505 HydrophobicContact CD1-CG2 3.94Å
488	E	98.3	Very high	98.3	Very high	118 Å²	118	44.1 Å²	44.1	55%	0.551	25%	0.251	S	S	*	.	H	α-helix	trans	-61.8	-47	174.5	-174	173.7	-163	0	0	111.3	F474 A484 A485 L490 G492	F474-E488 HydrophobicContact CD2-CB 3.6Å; F474-E488 HydrophobicContact CD2-CG 4.03Å; F474-E488 VanDerWaalsContact CE2-CA 3.45Å; F474-E488 HydrophobicContact CE2-CB 3.71Å; F474-E488 HydrophobicContact CE2-CG 3.92Å; F474-E488 HydrophobicContact CG-CB 4.28Å; F474-E488 HydrophobicContact CZ-CB 4.43Å; A484-E488 WeakPolarHBondContact O-CB 3.35Å; A484-E488 PolarHBondContact O-N 2.88Å; A485-E488 PolarHBondContact O-N 3.35Å; E488-L490 VanDerWaalsContact C-N 3.29Å; E488-L490 PolarHBondContact O-N 3.38Å; E488-G492 VanDerWaalsContact O-CA 3.25Å; E488-G492 WeakPolarHBondContact O-CA 3.41Å; E488-G492 PolarHBondContact O-N 2.86Å
489	E	98.3	Very high	98.3	Very high	129 Å²	129	43.9 Å²	43.9	60%	0.603	25%	0.249	S	C	*	.	H	α-helix	trans	-58.3	-42.2	174.7	-173.7	-168.4	170.8	0	0	111.3	K164 A485 I486	K164-E489 PolarHBondContact NZ-O 2.97Å; A485-E489 WeakPolarHBondContact O-CB 3.36Å; A485-E489 PolarHBondContact O-N 3.3Å; I486-E489 PolarHBondContact O-N 3.1Å
490	L	98.1	Very high	98.4	Very high	25 Å²	25	41 Å²	41	13%	0.131	22%	0.22	C	C	.	.	H	α-helix	trans	-75.6	-54	-176.3	-69.8	178.4	0	0	0	112.4	K164 P168 V172 I486 L487 E488	K164-L490 WeakPolarHBondContact CD-O 3.44Å; K164-L490 WeakPolarHBondContact CE-O 3.22Å; K164-L490 PolarHBondContact NZ-O 2.71Å; P168-L490 HydrophobicContact CB-CB 4.06Å; P168-L490 HydrophobicContact CB-CD2 4.36Å; P168-L490 HydrophobicContact CG-CB 3.78Å; V172-L490 HydrophobicContact CG1-CD2 4.14Å; I486-L490 HydrophobicContact CG2-CD1 3.88Å; I486-L490 HydrophobicContact CG2-CG 4.38Å; I486-L490 WeakPolarHBondContact O-CB 3.43Å; I486-L490 WeakPolarHBondContact O-CG 3.33Å; I486-L490 PolarHBondContact O-N 2.97Å; L487-L490 PolarHBondContact O-N 3.42Å; E488-L490 VanDerWaalsContact C-N 3.29Å; E488-L490 PolarHBondContact O-N 3.38Å
491	Y	98.4	Very high	98.4	Very high	3 Å²	3	38.2 Å²	38.2	1%	0.012	21%	0.205	C	C	.	.	H	α-helix	trans	-89.5	-30	-172.3	-77.5	-79.7	0	0	0	114.2	L167 P168 L173 L487 D493 A496 V497 E498	L167-Y491 HydrophobicContact CD2-CD1 4.44Å; L167-Y491 HydrophobicContact CD2-CE1 4.04Å; P168-Y491 HydrophobicContact CG-CD1 3.95Å; P168-Y491 HydrophobicContact CG-CD2 4.1Å; P168-Y491 HydrophobicContact CG-CE1 3.83Å; P168-Y491 HydrophobicContact CG-CE2 4.01Å; P168-Y491 HydrophobicContact CG-CG 4.07Å; L173-Y491 HydrophobicContact CD1-CE2 3.78Å; L173-Y491 WeakPolarHBondContact CD1-OH 3.42Å; L487-Y491 HydrophobicContact CD2-CD2 3.87Å; L487-Y491 HydrophobicContact CD2-CE2 3.8Å; L487-Y491 WeakPolarHBondContact O-CB 3.4Å; L487-Y491 PolarHBondContact O-N 3.45Å; Y491-D493 PolarHBondContact O-N 3.29Å; Y491-D493 VanDerWaalsContact O-N 3.08Å; Y491-A496 HydrophobicContact CD1-CB 4.47Å; Y491-A496 VanDerWaalsContact CD1-O 3.29Å; Y491-A496 WeakPolarHBondContact CD1-O 3.44Å; Y491-A496 WeakPolarHBondContact CE1-O 3.35Å; Y491-V497 HydrophobicContact CD2-CG2 4.23Å; Y491-V497 HydrophobicContact CG-CG2 4.3Å; Y491-E498 HydrophobicContact CE1-CG 4.09Å; Y491-E498 PolarHBondContact OH-OE1 2.71Å
492	G	98	Very high	98.4	Very high	47 Å²	47	31 Å²	31	49%	0.485	17%	0.174	S	C	.	.	S	Bend	trans	75.3	-26.5	-175.6	0	0	0	0	0	115.2	E488	E488-G492 VanDerWaalsContact O-CA 3.25Å; E488-G492 WeakPolarHBondContact O-CA 3.41Å; E488-G492 PolarHBondContact O-N 2.86Å
493	D	98.3	Very high	98.5	Very high	55 Å²	55	26.4 Å²	26.4	29%	0.294	15%	0.152	S	C	.	.	S	Bend	trans	-143.3	135.4	-179.7	-164.3	-34.8	0	0	0	110.6	F474 Y491 D495 A496	F474-D493 WeakPolarHBondContact CZ-O 3.4Å; Y491-D493 PolarHBondContact O-N 3.29Å; Y491-D493 VanDerWaalsContact O-N 3.08Å; D493-D495 PolarHBondContact O-N 2.76Å; D493-D495 PolarHBondContact OD1-N 3.18Å; D493-A496 HydrophobicContact CB-CB 4.34Å; D493-A496 WeakPolarHBondContact O-CB 3.49Å; D493-A496 PolarHBondContact O-N 3.17Å; D493-A496 VanDerWaalsContact O-N 3.11Å
494	V	98.4	Very high	98.5	Very high	13 Å²	13	26 Å²	26	8%	0.079	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-64.6	-30	178.7	68.1	0	0	0	0	111.5	Y471 F474 A496 V497	Y471-V494 WeakPolarHBondContact O-CG1 3.46Å; F474-V494 HydrophobicContact CD1-CG2 4.49Å; F474-V494 HydrophobicContact CD2-CB 4.47Å; F474-V494 HydrophobicContact CE1-CB 4.42Å; F474-V494 HydrophobicContact CE2-CB 4.29Å; F474-V494 HydrophobicContact CZ-CB 4.3Å; V494-A496 PolarHBondContact O-N 2.92Å; V494-V497 WeakPolarHBondContact O-CG2 3.41Å; V494-V497 PolarHBondContact O-N 2.83Å
495	D	98.3	Very high	98.5	Very high	64 Å²	64	25.9 Å²	25.9	34%	0.342	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-72.8	-7.7	176.7	-78.6	-37.9	0	0	0	113.1	V162 S458 N460 D493	V162-D495 HydrophobicContact CG2-CB 4.02Å; S458-D495 WeakPolarHBondContact CB-O 3.42Å; S458-D495 PolarHBondContact OG-O 2.78Å; N460-D495 WeakPolarHBondContact CB-OD1 3.5Å; N460-D495 PolarHBondContact ND2-OD1 3.07Å; D493-D495 PolarHBondContact O-N 2.76Å; D493-D495 PolarHBondContact OD1-N 3.18Å
496	A	98.4	Very high	98.5	Very high	2 Å²	2	23.3 Å²	23.3	2%	0.017	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-99.3	-0.5	175.7	0	0	0	0	0	114.1	M159 V162 Y491 D493 V494 E498	M159-A496 HydrophobicContact CB-CB 4.32Å; M159-A496 HydrophobicContact CG-CB 4.33Å; V162-A496 HydrophobicContact CG2-CB 4.27Å; Y491-A496 HydrophobicContact CD1-CB 4.47Å; Y491-A496 VanDerWaalsContact CD1-O 3.29Å; Y491-A496 WeakPolarHBondContact CD1-O 3.44Å; Y491-A496 WeakPolarHBondContact CE1-O 3.35Å; D493-A496 HydrophobicContact CB-CB 4.34Å; D493-A496 WeakPolarHBondContact O-CB 3.49Å; D493-A496 PolarHBondContact O-N 3.17Å; D493-A496 VanDerWaalsContact O-N 3.11Å; V494-A496 PolarHBondContact O-N 2.92Å; A496-E498 PolarHBondContact O-N 3.05Å
497	V	98.8	Very high	98.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.138	C	C	.	.			trans	-64.6	128.7	-179.3	175.2	0	0	0	0	110.6	S458 L459 F474 M477 Y491 V494	S458-V497 CarbonylContact C-O 3.54Å; S458-V497 WeakPolarHBondContact CA-O 3.29Å; S458-V497 WeakPolarHBondContact CB-O 3.26Å; L459-V497 HydrophobicContact CB-CB 4.47Å; L459-V497 HydrophobicContact CB-CG1 4.35Å; L459-V497 HydrophobicContact CD2-CG1 4.32Å; L459-V497 PolarHBondContact N-O 3.22Å; F474-V497 HydrophobicContact CD1-CG2 4.13Å; F474-V497 HydrophobicContact CE1-CG2 3.5Å; F474-V497 HydrophobicContact CZ-CG2 4.44Å; M477-V497 HydrophobicContact CE-CG1 4.25Å; M477-V497 HydrophobicContact CE-CG2 4.28Å; M477-V497 HydrophobicContact SD-CG1 4.08Å; Y491-V497 HydrophobicContact CD2-CG2 4.23Å; Y491-V497 HydrophobicContact CG-CG2 4.3Å; V494-V497 WeakPolarHBondContact O-CG2 3.41Å; V494-V497 PolarHBondContact O-N 2.83Å
498	E	98.8	Very high	98.4	Very high	5 Å²	5	27.7 Å²	27.7	2%	0.023	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-68.6	147.8	177.1	-70.4	166.2	-99	0	0	111.9	M159 L167 I448 R452 Y491 A496 Y500 P501 G502	M159-E498 HydrophobicContact CE-CB 4.28Å; M159-E498 HydrophobicContact CE-CG 3.34Å; L167-E498 HydrophobicContact CD1-CG 4.38Å; L167-E498 HydrophobicContact CD2-CG 4.32Å; I448-E498 VanDerWaalsContact CG2-OE2 3.31Å; I448-E498 WeakPolarHBondContact CG2-OE2 3.43Å; R452-E498 VanDerWaalsContact CG-OE2 3.26Å; R452-E498 WeakPolarHBondContact CG-OE2 3.46Å; R452-E498 IonicContact CZ-OE1 3.45Å; R452-E498 IonicContact CZ-OE2 3.59Å; R452-E498 IonicContact NE-OE1 3.39Å; R452-E498 PolarHBondContact NE-OE1 3.02Å; R452-E498 IonicContact NE-OE2 2.77Å; R452-E498 PolarHBondContact NE-OE2 3.46Å; R452-E498 IonicContact NH2-OE1 2.74Å; R452-E498 PolarHBondContact NH2-OE1 2.84Å; R452-E498 IonicContact NH2-OE2 3.54Å; Y491-E498 HydrophobicContact CE1-CG 4.09Å; Y491-E498 PolarHBondContact OH-OE1 2.71Å; A496-E498 PolarHBondContact O-N 3.05Å; E498-Y500 PolarHBondContact O-N 3Å; E498-P501 HydrophobicContact CB-CG 3.58Å; E498-P501 WeakPolarHBondContact O-CD 3.45Å; E498-G502 PolarHBondContact O-N 3.13Å
499	L	98.8	Very high	98.3	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-55.1	-57.9	-176.4	178.1	63.2	0	0	0	113.4	E376 Y456 L459 Y462 G502 L503 M521	E376-L499 HydrophobicContact CB-CD2 4.25Å; E376-L499 HydrophobicContact CG-CD2 4.36Å; Y456-L499 HydrophobicContact CD2-CB 4.39Å; Y456-L499 HydrophobicContact CD2-CD2 3.96Å; Y456-L499 HydrophobicContact CE2-CD2 4.13Å; L459-L499 HydrophobicContact CD1-CD1 3.95Å; Y462-L499 HydrophobicContact CD2-CB 4.13Å; Y462-L499 HydrophobicContact CD2-CD1 3.97Å; Y462-L499 HydrophobicContact CD2-CD2 3.88Å; Y462-L499 HydrophobicContact CD2-CG 4.21Å; Y462-L499 HydrophobicContact CE2-CB 4.26Å; Y462-L499 HydrophobicContact CE2-CD2 3.87Å; Y462-L499 HydrophobicContact CG-CD1 4.25Å; Y462-L499 HydrophobicContact CG-CD2 4.34Å; L499-G502 PolarHBondContact O-N 3.28Å; L499-L503 HydrophobicContact CD1-CD1 3.9Å; L499-L503 HydrophobicContact CD1-CD2 4.37Å; L499-L503 HydrophobicContact CD1-CG 3.94Å; L499-L503 HydrophobicContact CG-CD1 3.89Å; L499-L503 HydrophobicContact CG-CG 4.34Å; L499-L503 VanDerWaalsContact O-CG 3.26Å; L499-L503 WeakPolarHBondContact O-CG 3.39Å; L499-L503 PolarHBondContact O-N 2.84Å; L499-M521 HydrophobicContact CD1-CE 3.91Å; L499-M521 HydrophobicContact CD1-SD 3.87Å; L499-M521 HydrophobicContact CD2-CE 4.06Å
500	Y	98.8	Very high	98.2	Very high	2 Å²	2	22 Å²	22	1%	0.008	13%	0.133	C	C	.	.	H	α-helix	trans	-62.1	-51.8	-173.3	-176.3	-112.8	0	0	0	114.5	T379 H382 A444 I448 E498 G502 L503 L504	T379-Y500 HydrophobicContact CG2-CD2 3.96Å; T379-Y500 HydrophobicContact CG2-CG 4.12Å; T379-Y500 WeakPolarHBondContact O-CD2 3.47Å; H382-Y500 HydrophobicContact CB-CE2 3.62Å; H382-Y500 PolarHBondContact O-OH 3.46Å; A444-Y500 HydrophobicContact CB-CE1 3.98Å; I448-Y500 HydrophobicContact CG1-CD1 3.8Å; I448-Y500 HydrophobicContact CG1-CE1 4.48Å; E498-Y500 PolarHBondContact O-N 3Å; Y500-G502 VanDerWaalsContact C-N 3.28Å; Y500-G502 PolarHBondContact O-N 2.8Å; Y500-L503 PolarHBondContact O-N 2.72Å; Y500-L504 HydrophobicContact CD1-CD1 4.44Å; Y500-L504 HydrophobicContact CE1-CD1 3.78Å; Y500-L504 HydrophobicContact CE2-CD1 4.01Å; Y500-L504 HydrophobicContact CE2-CD2 4.47Å; Y500-L504 HydrophobicContact CE2-CG 4.21Å; Y500-L504 PolarHBondContact O-N 3.34Å
501	P	98.6	Very high	97.9	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	16%	0.161	C	C	.	.	H	α-helix	trans	-64.4	-37.1	176.3	26.9	-34	0	0	0	111.4	L173 E498 L503 L504 V505	L173-P501 HydrophobicContact CD1-CB 4.17Å; L173-P501 HydrophobicContact CD1-CG 4.25Å; L173-P501 HydrophobicContact CD2-CB 3.49Å; L173-P501 VanDerWaalsContact CD2-CB 3.49Å; L173-P501 HydrophobicContact CD2-CG 4.28Å; L173-P501 HydrophobicContact CG-CB 4.44Å; E498-P501 HydrophobicContact CB-CG 3.58Å; E498-P501 WeakPolarHBondContact O-CD 3.45Å; P501-L503 PolarHBondContact O-N 3.09Å; P501-L504 PolarHBondContact O-N 3.09Å; P501-V505 WeakPolarHBondContact O-CG1 3.34Å; P501-V505 VanDerWaalsContact O-CG2 3.26Å; P501-V505 WeakPolarHBondContact O-CG2 3.18Å; P501-V505 PolarHBondContact O-N 3.49Å
502	G	98.7	Very high	97.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-54.5	-48.5	172.8	0	0	0	0	0	113	E498 L499 Y500 L504 V505 E506	E498-G502 PolarHBondContact O-N 3.13Å; L499-G502 PolarHBondContact O-N 3.28Å; Y500-G502 VanDerWaalsContact C-N 3.28Å; Y500-G502 PolarHBondContact O-N 2.8Å; G502-L504 VanDerWaalsContact C-N 3.32Å; G502-L504 PolarHBondContact O-N 3.29Å; G502-V505 PolarHBondContact O-N 3.37Å; G502-E506 WeakPolarHBondContact O-CB 3.46Å; G502-E506 PolarHBondContact O-N 3.46Å
503	L	98.8	Very high	97.7	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-59.5	-38.8	177	-73.9	170.5	0	0	0	113.1	L380 L499 Y500 P501 T517 M518	L380-L503 HydrophobicContact CB-CD1 3.77Å; L499-L503 HydrophobicContact CD1-CD1 3.9Å; L499-L503 HydrophobicContact CD1-CD2 4.37Å; L499-L503 HydrophobicContact CD1-CG 3.94Å; L499-L503 HydrophobicContact CG-CD1 3.89Å; L499-L503 HydrophobicContact CG-CG 4.34Å; L499-L503 VanDerWaalsContact O-CG 3.26Å; L499-L503 WeakPolarHBondContact O-CG 3.39Å; L499-L503 PolarHBondContact O-N 2.84Å; Y500-L503 PolarHBondContact O-N 2.72Å; P501-L503 PolarHBondContact O-N 3.09Å; L503-T517 HydrophobicContact CD2-CG2 3.5Å; L503-M518 HydrophobicContact CB-CE 3.94Å; L503-M518 HydrophobicContact CD1-SD 4.47Å; L503-M518 HydrophobicContact CD2-CB 4.46Å; L503-M518 HydrophobicContact CD2-CE 4.43Å; L503-M518 HydrophobicContact CD2-SD 4.32Å
504	L	98.7	Very high	97.7	Very high	3 Å²	3	23.2 Å²	23.2	2%	0.016	13%	0.129	C	C	.	.	H	α-helix	trans	-79.3	-32.3	-176.9	-66.8	-172.4	0	0	0	113.1	L178 P385 V430 A431 G432 G433 V436 Y500 P501 G502	L178-L504 HydrophobicContact CD1-CD1 4.27Å; L178-L504 HydrophobicContact CD2-CB 3.84Å; L178-L504 HydrophobicContact CD2-CD1 3.89Å; P385-L504 HydrophobicContact CG-CD2 4.48Å; V430-L504 HydrophobicContact CG1-CD2 3.87Å; A431-L504 CarbonylContact C-O 3.55Å; A431-L504 WeakPolarHBondContact CA-O 3.37Å; G432-L504 PolarHBondContact N-O 3.25Å; G433-L504 WeakPolarHBondContact CA-O 3.43Å; G433-L504 PolarHBondContact N-O 3.3Å; V436-L504 HydrophobicContact CG2-CD1 4.32Å; Y500-L504 HydrophobicContact CD1-CD1 4.44Å; Y500-L504 HydrophobicContact CE1-CD1 3.78Å; Y500-L504 HydrophobicContact CE2-CD1 4.01Å; Y500-L504 HydrophobicContact CE2-CD2 4.47Å; Y500-L504 HydrophobicContact CE2-CG 4.21Å; Y500-L504 PolarHBondContact O-N 3.34Å; P501-L504 PolarHBondContact O-N 3.09Å; G502-L504 VanDerWaalsContact C-N 3.32Å; G502-L504 PolarHBondContact O-N 3.29Å
505	V	98.6	Very high	97.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-92.7	-10.1	179.7	-54.4	0	0	0	0	113.5	L177 L178 M477 T478 L487 P501 G502	L177-V505 HydrophobicContact CB-CG1 4.02Å; L178-V505 HydrophobicContact CD2-CG1 4.14Å; M477-V505 HydrophobicContact CE-CG2 4Å; T478-V505 HydrophobicContact CG2-CG2 4.38Å; L487-V505 HydrophobicContact CD1-CG2 3.94Å; P501-V505 WeakPolarHBondContact O-CG1 3.34Å; P501-V505 VanDerWaalsContact O-CG2 3.26Å; P501-V505 WeakPolarHBondContact O-CG2 3.18Å; P501-V505 PolarHBondContact O-N 3.49Å; G502-V505 PolarHBondContact O-N 3.37Å
506	E	98.6	Very high	97.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-52.8	138.7	175.4	-170.5	-179.1	-144.2	0	0	110.8	G432 R463 Y471 G502 P508 G515 E516 T517	G432-E506 PolarHBondContact N-O 3.19Å; R463-E506 IonicContact NH1-OE1 3.36Å; R463-E506 PolarHBondContact NH1-OE1 3.19Å; Y471-E506 HydrophobicContact CE2-CG 4.39Å; Y471-E506 WeakPolarHBondContact OH-CG 3.38Å; Y471-E506 PolarHBondContact OH-OE1 3.2Å; G502-E506 WeakPolarHBondContact O-CB 3.46Å; G502-E506 PolarHBondContact O-N 3.46Å; E506-P508 WeakPolarHBondContact O-CD 3.46Å; E506-G515 VanDerWaalsContact OE2-C 3.32Å; E506-G515 WeakPolarHBondContact OE2-CA 3.05Å; E506-E516 PolarHBondContact OE2-N 3.32Å; E506-T517 VanDerWaalsContact CD-OG1 3.3Å; E506-T517 VanDerWaalsContact OE1-CB 3.22Å; E506-T517 WeakPolarHBondContact OE1-CB 3.26Å; E506-T517 PolarHBondContact OE1-N 2.85Å; E506-T517 PolarHBondContact OE1-OG1 3.44Å; E506-T517 WeakPolarHBondContact OE2-CB 3.46Å; E506-T517 PolarHBondContact OE2-N 3.22Å
507	K	98.1	Very high	97.5	Very high	75 Å²	75	20.3 Å²	20.3	33%	0.326	11%	0.112	S	C	.	.	P	Polyproline II helix	trans	-56.8	123.8	175.6	68.2	-168	176.2	-158	0	110.3	D476 M477 T478 G515	D476-K507 WeakPolarHBondContact O-CD 3.08Å; D476-K507 VanDerWaalsContact O-CE 3.28Å; D476-K507 WeakPolarHBondContact O-CE 3.36Å; D476-K507 PolarHBondContact O-NZ 2.89Å; D476-K507 IonicContact OD1-NZ 3.84Å; D476-K507 PolarHBondContact OD1-NZ 2.81Å; M477-K507 PolarHBondContact O-N 3.14Å; T478-K507 WeakPolarHBondContact O-CB 3.43Å; K507-G515 WeakPolarHBondContact O-CA 3.39Å
508	P	97.8	Very high	97.5	Very high	37 Å²	37	20.5 Å²	20.5	24%	0.24	11%	0.113	C	C	.	.	P	Polyproline II helix	trans	-62.2	152.1	173.6	-19.4	30.7	0	0	0	110.9	A431 E506 F514	A431-P508 HydrophobicContact CB-CB 4.36Å; A431-P508 HydrophobicContact CB-CG 3.97Å; E506-P508 WeakPolarHBondContact O-CD 3.46Å; P508-F514 WeakPolarHBondContact CA-O 3.48Å
509	R	96.2	Very high	97.4	Very high	15 Å²	15	21.8 Å²	21.8	6%	0.057	12%	0.121	C	C	.	.	P	Polyproline II helix	trans	-65.5	156.2	165	-74.8	174.3	163.9	176.6	5	110.1	P81 N82 H85 N511 A512 F514	P81-R509 PolarHBondContact O-NH2 2.64Å; N82-R509 PolarHBondContact OD1-NE 3.41Å; N82-R509 PolarHBondContact OD1-NH2 3.43Å; H85-R509 PolarHBondContact ND1-NH1 3.19Å; R509-N511 PolarHBondContact O-N 3.37Å; R509-A512 HydrophobicContact CB-CB 3.72Å; R509-A512 WeakPolarHBondContact O-CB 3.23Å; R509-A512 PolarHBondContact O-N 3.36Å; R509-F514 PolarHBondContact N-O 3.08Å
510	P	94.3	Very high	97.4	Very high	114 Å²	114	22.4 Å²	22.4	74%	0.74	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	125.3	179.7	-26.4	35.1	0	0	0	111.7	A512	P510-A512 PolarHBondContact O-N 3.48Å
511	N	92.4	Very high	97.4	Very high	136 Å²	136	22.3 Å²	22.3	73%	0.727	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	32.6	-177.3	-56.6	-30.2	0	0	0	114.7	Q188 R509	Q188-N511 WeakPolarHBondContact CG-O 3.36Å; R509-N511 PolarHBondContact O-N 3.37Å
512	A	95.9	Very high	97.4	Very high	9 Å²	9	22.7 Å²	22.7	7%	0.074	13%	0.128	C	C	.	.			trans	-117.3	156.8	-179.3	0	0	0	0	0	113.2	R509 P510 F514	R509-A512 HydrophobicContact CB-CB 3.72Å; R509-A512 WeakPolarHBondContact O-CB 3.23Å; R509-A512 PolarHBondContact O-N 3.36Å; P510-A512 PolarHBondContact O-N 3.48Å; A512-F514 VanDerWaalsContact C-N 3.34Å
513	I	97.3	Very high	97.3	Very high	1 Å²	1	24 Å²	24	1%	0.005	14%	0.139	C	C	.	.	S	Bend	trans	-72.3	-27.8	176.6	-167.2	171.6	0	0	0	113.1	D186 Q188 L348 L386 V430 A431	D186-I513 HydrophobicContact CB-CG1 4.47Å; D186-I513 VanDerWaalsContact OD1-CA 3.29Å; D186-I513 WeakPolarHBondContact OD1-CA 3.47Å; D186-I513 WeakPolarHBondContact OD1-CB 3.05Å; D186-I513 WeakPolarHBondContact OD1-CG1 3.18Å; Q188-I513 VanDerWaalsContact OE1-CG2 3.27Å; L348-I513 HydrophobicContact CD1-CG2 3.81Å; L386-I513 HydrophobicContact CD2-CD1 3.73Å; V430-I513 HydrophobicContact CB-CG1 4.3Å; V430-I513 HydrophobicContact CG2-CD1 4.14Å; V430-I513 HydrophobicContact CG2-CG1 4.06Å; V430-I513 PolarHBondContact N-O 2.94Å; A431-I513 PolarHBondContact N-O 3.44Å
514	F	97	Very high	97.3	Very high	8 Å²	8	24 Å²	24	4%	0.035	14%	0.138	C	C	.	.	S	Bend	trans	-126.9	162.6	-172.6	-61.9	-39.4	0	0	0	114.2	L348 W383 V430 P508 R509 A512 M518 V519	L348-F514 HydrophobicContact CD1-CD2 4.02Å; L348-F514 HydrophobicContact CD1-CE2 3.17Å; L348-F514 HydrophobicContact CD1-CZ 3.66Å; L348-F514 HydrophobicContact CD2-CE2 3.99Å; L348-F514 HydrophobicContact CG-CD2 4.5Å; L348-F514 HydrophobicContact CG-CE2 3.81Å; W383-F514 HydrophobicContact CD2-CE1 4.03Å; W383-F514 AromaticContact CD2-CZ 3.61Å; W383-F514 HydrophobicContact CD2-CZ 3.61Å; W383-F514 AromaticContact CE2-CE1 3.86Å; W383-F514 AromaticContact CE2-CZ 3.36Å; W383-F514 HydrophobicContact CE3-CE1 4.49Å; W383-F514 AromaticContact CE3-CZ 3.75Å; W383-F514 HydrophobicContact CE3-CZ 3.75Å; W383-F514 HydrophobicContact CG-CE1 4.35Å; W383-F514 HydrophobicContact CG-CZ 4.38Å; W383-F514 AromaticContact CH2-CE2 3.75Å; W383-F514 HydrophobicContact CH2-CE2 3.75Å; W383-F514 AromaticContact CH2-CZ 3.51Å; W383-F514 HydrophobicContact CH2-CZ 3.51Å; W383-F514 HydrophobicContact CZ2-CE1 4.25Å; W383-F514 AromaticContact CZ2-CE2 3.72Å; W383-F514 HydrophobicContact CZ2-CE2 3.72Å; W383-F514 AromaticContact CZ2-CZ 3.35Å; W383-F514 HydrophobicContact CZ2-CZ 3.35Å; W383-F514 HydrophobicContact CZ3-CE2 4.23Å; W383-F514 AromaticContact CZ3-CZ 3.66Å; W383-F514 HydrophobicContact CZ3-CZ 3.66Å; W383-F514 AromaticContact NE1-CE1 4Å; W383-F514 AromaticContact NE1-CZ 3.95Å; V430-F514 HydrophobicContact CB-CD1 3.69Å; V430-F514 HydrophobicContact CB-CE1 3.43Å; V430-F514 VanDerWaalsContact CB-CE1 3.43Å; V430-F514 HydrophobicContact CG1-CD1 3.95Å; V430-F514 HydrophobicContact CG1-CE1 3.63Å; V430-F514 HydrophobicContact CG2-CD1 4.41Å; V430-F514 HydrophobicContact CG2-CE1 3.7Å; P508-F514 WeakPolarHBondContact CA-O 3.48Å; R509-F514 PolarHBondContact N-O 3.08Å; A512-F514 VanDerWaalsContact C-N 3.34Å; F514-M518 HydrophobicContact CB-CB 3.85Å; F514-M518 HydrophobicContact CB-CG 4.13Å; F514-M518 HydrophobicContact CD1-CB 4.33Å; F514-M518 HydrophobicContact CD1-CE 4.32Å; F514-M518 HydrophobicContact CD1-CG 3.74Å; F514-M518 HydrophobicContact CD2-CB 4.31Å; F514-M518 HydrophobicContact CD2-CG 3.79Å; F514-M518 HydrophobicContact CE1-CE 4.5Å; F514-M518 HydrophobicContact CE1-CG 4.07Å; F514-M518 HydrophobicContact CE2-CG 4.09Å; F514-M518 HydrophobicContact CG-CB 3.94Å; F514-M518 HydrophobicContact CG-CG 3.63Å; F514-M518 HydrophobicContact CZ-CG 4.27Å; F514-V519 HydrophobicContact CB-CG2 4.34Å; F514-V519 HydrophobicContact CD2-CG2 4.43Å
515	G	95.9	Very high	97.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.139	C	C	.	.			trans	-80.8	-178.1	162.5	0	0	0	0	0	113.4	E506 K507	E506-G515 VanDerWaalsContact OE2-C 3.32Å; E506-G515 WeakPolarHBondContact OE2-CA 3.05Å; K507-G515 WeakPolarHBondContact O-CA 3.39Å
516	E	97.4	Very high	97.3	Very high	18 Å²	18	25 Å²	25	8%	0.084	15%	0.145	C	C	.	.	H	α-helix	trans	-63.3	-47	-179.1	176.9	-178.4	-143.7	0	0	112.1	P81 R463 M468 E506 M518 V519 E520	P81-E516 HydrophobicContact CB-CG 4.41Å; P81-E516 WeakPolarHBondContact CB-OE1 3.42Å; P81-E516 WeakPolarHBondContact CG-OE1 3.48Å; R463-E516 IonicContact CZ-OE2 3.63Å; R463-E516 IonicContact NH1-OE2 3.75Å; R463-E516 PolarHBondContact NH1-OE2 3.04Å; R463-E516 IonicContact NH2-OE2 2.74Å; R463-E516 PolarHBondContact NH2-OE2 3.43Å; M468-E516 HydrophobicContact SD-CG 3.95Å; E506-E516 PolarHBondContact OE2-N 3.32Å; E516-M518 VanDerWaalsContact C-N 3.34Å; E516-M518 PolarHBondContact O-N 3.03Å; E516-V519 PolarHBondContact O-N 3.2Å; E516-E520 HydrophobicContact CG-CG 4Å; E516-E520 WeakPolarHBondContact O-CG 3.49Å; E516-E520 PolarHBondContact O-N 2.92Å
517	T	98.4	Very high	97.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.4	-41.8	-172.6	-55.9	0	0	0	0	111.4	L459 R463 M468 L503 E506 V519 E520 M521	L459-T517 HydrophobicContact CD1-CG2 3.88Å; R463-T517 HydrophobicContact CG-CG2 4.23Å; R463-T517 PolarHBondContact NH1-OG1 3.08Å; M468-T517 HydrophobicContact CE-CG2 4.14Å; L503-T517 HydrophobicContact CD2-CG2 3.5Å; E506-T517 VanDerWaalsContact CD-OG1 3.3Å; E506-T517 VanDerWaalsContact OE1-CB 3.22Å; E506-T517 WeakPolarHBondContact OE1-CB 3.26Å; E506-T517 PolarHBondContact OE1-N 2.85Å; E506-T517 PolarHBondContact OE1-OG1 3.44Å; E506-T517 WeakPolarHBondContact OE2-CB 3.46Å; E506-T517 PolarHBondContact OE2-N 3.22Å; T517-V519 VanDerWaalsContact C-N 3.29Å; T517-V519 PolarHBondContact O-N 3.48Å; T517-E520 PolarHBondContact O-N 3.37Å; T517-M521 HydrophobicContact CG2-CG 3.95Å; T517-M521 HydrophobicContact CG2-SD 3.39Å; T517-M521 WeakPolarHBondContact CG2-SD 3.29Å; T517-M521 VanDerWaalsContact O-CB 3.29Å; T517-M521 WeakPolarHBondContact O-CB 3.45Å; T517-M521 WeakPolarHBondContact O-CG 3.48Å; T517-M521 PolarHBondContact O-N 3Å
518	M	98.4	Very high	97.3	Very high	4 Å²	4	22.3 Å²	22.3	2%	0.02	13%	0.134	C	C	.	.	H	α-helix	trans	-58.6	-41.1	179.2	-165.7	73.7	76.9	0	0	112	L380 V430 L503 F514 E516 G522	L380-M518 HydrophobicContact CB-SD 4.15Å; L380-M518 HydrophobicContact CD1-SD 4Å; L380-M518 VanDerWaalsContact O-SD 3.34Å; V430-M518 HydrophobicContact CG1-CE 4.18Å; L503-M518 HydrophobicContact CB-CE 3.94Å; L503-M518 HydrophobicContact CD1-SD 4.47Å; L503-M518 HydrophobicContact CD2-CB 4.46Å; L503-M518 HydrophobicContact CD2-CE 4.43Å; L503-M518 HydrophobicContact CD2-SD 4.32Å; F514-M518 HydrophobicContact CB-CB 3.85Å; F514-M518 HydrophobicContact CB-CG 4.13Å; F514-M518 HydrophobicContact CD1-CB 4.33Å; F514-M518 HydrophobicContact CD1-CE 4.32Å; F514-M518 HydrophobicContact CD1-CG 3.74Å; F514-M518 HydrophobicContact CD2-CB 4.31Å; F514-M518 HydrophobicContact CD2-CG 3.79Å; F514-M518 HydrophobicContact CE1-CE 4.5Å; F514-M518 HydrophobicContact CE1-CG 4.07Å; F514-M518 HydrophobicContact CE2-CG 4.09Å; F514-M518 HydrophobicContact CG-CB 3.94Å; F514-M518 HydrophobicContact CG-CG 3.63Å; F514-M518 HydrophobicContact CZ-CG 4.27Å; E516-M518 VanDerWaalsContact C-N 3.34Å; E516-M518 PolarHBondContact O-N 3.03Å; M518-G522 VanDerWaalsContact O-CA 3.29Å; M518-G522 WeakPolarHBondContact O-CA 3.1Å; M518-G522 PolarHBondContact O-N 3.49Å
519	V	97.5	Very high	97.4	Very high	32 Å²	32	21 Å²	21	19%	0.194	13%	0.127	C	C	.	.	H	α-helix	trans	-73.3	-48.3	180	177.3	0	0	0	0	110.9	F514 E516 T517 M521 A523	F514-V519 HydrophobicContact CB-CG2 4.34Å; F514-V519 HydrophobicContact CD2-CG2 4.43Å; E516-V519 PolarHBondContact O-N 3.2Å; T517-V519 VanDerWaalsContact C-N 3.29Å; T517-V519 PolarHBondContact O-N 3.48Å; V519-M521 VanDerWaalsContact C-N 3.33Å; V519-M521 PolarHBondContact O-N 2.97Å; V519-A523 WeakPolarHBondContact O-CB 2.87Å; V519-A523 PolarHBondContact O-N 2.84Å
520	E	98.1	Very high	97.5	Very high	15 Å²	15	20.3 Å²	20.3	7%	0.07	12%	0.124	C	C	.	.	H	α-helix	trans	-72.6	-25.6	-173.6	-64.5	-61.3	125.8	0	0	113	P81 R116 F466 M468 E516 T517 P524	P81-E520 HydrophobicContact CB-CG 3.93Å; P81-E520 HydrophobicContact CG-CG 4.31Å; R116-E520 IonicContact CZ-OE1 2.73Å; R116-E520 IonicContact CZ-OE2 3.45Å; R116-E520 VanDerWaalsContact NH1-CD 3.33Å; R116-E520 IonicContact NH1-OE1 3.53Å; R116-E520 IonicContact NH1-OE2 3.98Å; R116-E520 PolarHBondContact NH1-OE2 3.41Å; R116-E520 IonicContact NH2-OE1 2.91Å; R116-E520 PolarHBondContact NH2-OE1 2.95Å; R116-E520 IonicContact NH2-OE2 3.24Å; R116-E520 PolarHBondContact NH2-OE2 3.29Å; F466-E520 WeakPolarHBondContact CD1-O 3.42Å; M468-E520 HydrophobicContact CE-CB 3.71Å; M468-E520 HydrophobicContact CG-CB 4.12Å; M468-E520 HydrophobicContact CG-CG 4.24Å; M468-E520 HydrophobicContact SD-CB 3.58Å; M468-E520 VanDerWaalsContact SD-CB 3.58Å; M468-E520 HydrophobicContact SD-CG 3.98Å; E516-E520 HydrophobicContact CG-CG 4Å; E516-E520 WeakPolarHBondContact O-CG 3.49Å; E516-E520 PolarHBondContact O-N 2.92Å; T517-E520 PolarHBondContact O-N 3.37Å; E520-P524 WeakPolarHBondContact O-CD 3.31Å; E520-P524 VanDerWaalsContact O-CG 3.3Å; E520-P524 WeakPolarHBondContact O-CG 3.11Å
521	M	98.4	Very high	97.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-86.8	-45.6	169.3	-65.5	-175.4	59.6	0	0	112.5	L380 Y462 F466 M468 L499 T517 V519 P524 F525	L380-M521 HydrophobicContact CD2-CB 4.36Å; Y462-M521 HydrophobicContact CD1-CE 3.86Å; Y462-M521 HydrophobicContact CG-CE 3.92Å; F466-M521 HydrophobicContact CB-CG 4.15Å; F466-M521 HydrophobicContact CD1-CG 4.32Å; F466-M521 HydrophobicContact CD2-CB 4.44Å; F466-M521 HydrophobicContact CD2-CE 4.18Å; F466-M521 HydrophobicContact CD2-CG 3.62Å; F466-M521 HydrophobicContact CD2-SD 4.29Å; F466-M521 HydrophobicContact CE2-CE 3.9Å; F466-M521 HydrophobicContact CE2-CG 4.05Å; F466-M521 HydrophobicContact CG-CB 4.45Å; F466-M521 HydrophobicContact CG-CG 3.77Å; M468-M521 HydrophobicContact CE-CG 3.99Å; L499-M521 HydrophobicContact CD1-CE 3.91Å; L499-M521 HydrophobicContact CD1-SD 3.87Å; L499-M521 HydrophobicContact CD2-CE 4.06Å; T517-M521 HydrophobicContact CG2-CG 3.95Å; T517-M521 HydrophobicContact CG2-SD 3.39Å; T517-M521 WeakPolarHBondContact CG2-SD 3.29Å; T517-M521 VanDerWaalsContact O-CB 3.29Å; T517-M521 WeakPolarHBondContact O-CB 3.45Å; T517-M521 WeakPolarHBondContact O-CG 3.48Å; T517-M521 PolarHBondContact O-N 3Å; V519-M521 VanDerWaalsContact C-N 3.33Å; V519-M521 PolarHBondContact O-N 2.97Å; M521-P524 WeakPolarHBondContact O-CD 3.42Å; M521-F525 WeakPolarHBondContact O-CD2 3.4Å
522	G	98.2	Very high	98	Very high	9 Å²	9	8.5 Å²	8.5	9%	0.093	6%	0.055	C	C	.	.	H	α-helix	trans	-68.5	-40.5	-174.2	0	0	0	0	0	113.6	M518 F525 S526	M518-G522 VanDerWaalsContact O-CA 3.29Å; M518-G522 WeakPolarHBondContact O-CA 3.1Å; M518-G522 PolarHBondContact O-N 3.49Å; G522-F525 PolarHBondContact O-N 2.89Å; G522-S526 VanDerWaalsContact O-CB 3.32Å; G522-S526 WeakPolarHBondContact O-CB 3.48Å; G522-S526 PolarHBondContact O-N 2.85Å
523	A	98	Very high	98.1	Very high	27 Å²	27	8.8 Å²	8.8	22%	0.223	6%	0.056	C	C	.	.	H	α-helix	trans	-62.9	-45.4	-176.9	0	0	0	0	0	113.3	V519 F525 S526 L527	V519-A523 WeakPolarHBondContact O-CB 2.87Å; V519-A523 PolarHBondContact O-N 2.84Å; A523-F525 PolarHBondContact O-N 3.17Å; A523-S526 PolarHBondContact O-N 2.71Å; A523-L527 WeakPolarHBondContact O-CB 3.42Å; A523-L527 WeakPolarHBondContact O-CG 3.22Å; A523-L527 PolarHBondContact O-N 2.87Å
524	P	98.7	Very high	98.2	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-53	-49.2	170.8	-33.5	40	0	0	0	114.9	R116 M119 I120 F466 E520 M521 K528	R116-P524 HydrophobicContact CB-CG 4.46Å; R116-P524 WeakPolarHBondContact O-CB 3.22Å; M119-P524 HydrophobicContact CB-CB 4Å; M119-P524 HydrophobicContact CB-CG 4.08Å; M119-P524 HydrophobicContact CG-CG 4.32Å; I120-P524 HydrophobicContact CD1-CB 3.63Å; I120-P524 HydrophobicContact CG1-CB 3.86Å; F466-P524 HydrophobicContact CD1-CG 4.17Å; F466-P524 HydrophobicContact CE1-CB 4.09Å; F466-P524 HydrophobicContact CE1-CG 4.15Å; E520-P524 WeakPolarHBondContact O-CD 3.31Å; E520-P524 VanDerWaalsContact O-CG 3.3Å; E520-P524 WeakPolarHBondContact O-CG 3.11Å; M521-P524 WeakPolarHBondContact O-CD 3.42Å; P524-K528 WeakPolarHBondContact O-CB 3.43Å; P524-K528 PolarHBondContact O-N 3.23Å
525	F	98.8	Very high	98.3	Very high	9 Å²	9	11.6 Å²	11.6	4%	0.039	8%	0.075	C	C	.	.	H	α-helix	trans	-65	-45.7	179.9	-69.8	-59.1	0	0	0	111.7	I120 A147 A374 E376 F377 L380 F466 M521 G522 A523 G529	I120-F525 HydrophobicContact CD1-CD1 3.4Å; I120-F525 HydrophobicContact CD1-CE1 3.52Å; I120-F525 HydrophobicContact CD1-CG 4.01Å; I120-F525 HydrophobicContact CD1-CZ 4.25Å; I120-F525 HydrophobicContact CG1-CD1 4.25Å; A147-F525 HydrophobicContact CB-CE1 4.49Å; A147-F525 HydrophobicContact CB-CZ 3.97Å; A374-F525 HydrophobicContact CB-CD1 3.98Å; A374-F525 HydrophobicContact CB-CE1 3.33Å; A374-F525 HydrophobicContact CB-CZ 3.78Å; E376-F525 HydrophobicContact CB-CE2 4.5Å; E376-F525 HydrophobicContact CB-CZ 4.45Å; F377-F525 HydrophobicContact CB-CB 3.98Å; F377-F525 HydrophobicContact CB-CD1 4.13Å; F377-F525 HydrophobicContact CB-CD2 3.81Å; F377-F525 HydrophobicContact CB-CE2 4.26Å; F377-F525 HydrophobicContact CB-CG 3.73Å; F377-F525 HydrophobicContact CD1-CB 3.77Å; F377-F525 HydrophobicContact CD1-CG 4.42Å; F377-F525 HydrophobicContact CD2-CB 3.52Å; F377-F525 HydrophobicContact CD2-CD2 4.06Å; F377-F525 HydrophobicContact CD2-CG 4.06Å; F377-F525 HydrophobicContact CE1-CB 4.09Å; F377-F525 HydrophobicContact CE2-CB 3.84Å; F377-F525 HydrophobicContact CG-CB 3.48Å; F377-F525 VanDerWaalsContact CG-CB 3.48Å; F377-F525 HydrophobicContact CG-CD2 4.11Å; F377-F525 AromaticContact CG-CG 3.83Å; F377-F525 HydrophobicContact CG-CG 3.83Å; F377-F525 HydrophobicContact CZ-CB 4.12Å; L380-F525 HydrophobicContact CD2-CD2 3.82Å; L380-F525 HydrophobicContact CD2-CE2 4.05Å; F466-F525 HydrophobicContact CE1-CE2 4.42Å; F466-F525 HydrophobicContact CE2-CE2 4.47Å; F466-F525 AromaticContact CZ-CE2 3.72Å; F466-F525 HydrophobicContact CZ-CE2 3.72Å; F466-F525 AromaticContact CZ-CZ 3.73Å; F466-F525 HydrophobicContact CZ-CZ 3.73Å; M521-F525 WeakPolarHBondContact O-CD2 3.4Å; G522-F525 PolarHBondContact O-N 2.89Å; A523-F525 PolarHBondContact O-N 3.17Å; F525-G529 PolarHBondContact O-N 2.91Å
526	S	98.5	Very high	98.4	Very high	17 Å²	17	11.6 Å²	11.6	12%	0.119	8%	0.075	C	C	.	.	H	α-helix	trans	-60.6	-55.3	179.4	178.3	0	0	0	0	111.6	G522 A523 K528 G529 L530	G522-S526 VanDerWaalsContact O-CB 3.32Å; G522-S526 WeakPolarHBondContact O-CB 3.48Å; G522-S526 PolarHBondContact O-N 2.85Å; A523-S526 PolarHBondContact O-N 2.71Å; S526-K528 VanDerWaalsContact C-N 3.33Å; S526-K528 PolarHBondContact O-N 2.02Å; S526-G529 PolarHBondContact O-N 3.05Å; S526-G529 VanDerWaalsContact O-N 3.12Å; S526-L530 VanDerWaalsContact O-CG 3.28Å; S526-L530 WeakPolarHBondContact O-CG 3.36Å; S526-L530 PolarHBondContact O-N 3.27Å
527	L	98.3	Very high	98.5	Very high	11 Å²	11	11.4 Å²	11.4	6%	0.058	8%	0.075	C	C	.	.	H	α-helix	trans	-65.6	-35.2	-177.5	-66.3	176.5	0	0	0	112.5	V112 L113 R116 A523 M531	V112-L527 HydrophobicContact CG1-CD1 3.98Å; L113-L527 HydrophobicContact CD2-CD1 4.4Å; L113-L527 HydrophobicContact CD2-CD2 4.07Å; R116-L527 HydrophobicContact CB-CD1 3.75Å; R116-L527 HydrophobicContact CG-CD1 3.85Å; A523-L527 WeakPolarHBondContact O-CB 3.42Å; A523-L527 WeakPolarHBondContact O-CG 3.22Å; A523-L527 PolarHBondContact O-N 2.87Å; L527-M531 WeakPolarHBondContact O-CB 3.32Å; L527-M531 PolarHBondContact O-N 3.49Å
528	K	98.7	Very high	98.5	Very high	6 Å²	6	13.9 Å²	13.9	3%	0.026	9%	0.091	C	C	.	.	H	α-helix	trans	-67.1	-40.3	173.1	177.9	57.5	174.5	177.3	0	111.8	I120 S122 F367 Q368 Q370 P524 S526 L530 G532	I120-K528 HydrophobicContact CB-CB 4.31Å; I120-K528 HydrophobicContact CB-CG 4.08Å; I120-K528 HydrophobicContact CG1-CB 4.03Å; I120-K528 HydrophobicContact CG1-CG 4.33Å; I120-K528 HydrophobicContact CG2-CG 3.95Å; S122-K528 PolarHBondContact OG-NZ 3.29Å; F367-K528 HydrophobicContact CE2-CD 4.4Å; F367-K528 HydrophobicContact CZ-CD 4.13Å; Q368-K528 PolarHBondContact O-NZ 3.09Å; Q370-K528 WeakPolarHBondContact O-CE 3.4Å; Q370-K528 PolarHBondContact O-NZ 2.04Å; P524-K528 WeakPolarHBondContact O-CB 3.43Å; P524-K528 PolarHBondContact O-N 3.23Å; S526-K528 VanDerWaalsContact C-N 3.33Å; S526-K528 PolarHBondContact O-N 2.02Å; K528-L530 VanDerWaalsContact C-N 3.35Å; K528-G532 WeakPolarHBondContact O-CA 3.29Å; K528-G532 PolarHBondContact O-N 3.08Å
529	G	98.5	Very high	98.5	Very high	9 Å²	9	20 Å²	20	9%	0.093	12%	0.12	C	C	.	.	H	α-helix	trans	-65.4	-36	176.1	0	0	0	0	0	113.4	F525 S526	F525-G529 PolarHBondContact O-N 2.91Å; S526-G529 PolarHBondContact O-N 3.05Å; S526-G529 VanDerWaalsContact O-N 3.12Å
530	L	98.8	Very high	98.6	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-76.1	-60.2	178.5	-66.2	163.4	0	0	0	111.7	F201 V224 I337 V340 I341 S526 K528 G532 N533	F201-L530 HydrophobicContact CZ-CD2 4.07Å; V224-L530 HydrophobicContact CG2-CD2 4.11Å; I337-L530 HydrophobicContact CB-CD2 4.41Å; I337-L530 HydrophobicContact CG1-CD2 4.04Å; I337-L530 HydrophobicContact CG2-CB 4.29Å; I337-L530 HydrophobicContact CG2-CD2 4.22Å; V340-L530 HydrophobicContact CB-CD2 4.01Å; V340-L530 HydrophobicContact CG1-CD1 3.69Å; V340-L530 HydrophobicContact CG1-CD2 3.73Å; V340-L530 HydrophobicContact CG1-CG 4.33Å; I341-L530 HydrophobicContact CD1-CB 4.37Å; I341-L530 HydrophobicContact CD1-CD1 4.4Å; I341-L530 HydrophobicContact CG1-CD1 3.82Å; S526-L530 VanDerWaalsContact O-CG 3.28Å; S526-L530 WeakPolarHBondContact O-CG 3.36Å; S526-L530 PolarHBondContact O-N 3.27Å; K528-L530 VanDerWaalsContact C-N 3.35Å; L530-G532 VanDerWaalsContact C-N 3.3Å; L530-G532 PolarHBondContact O-N 3.38Å; L530-N533 VanDerWaalsContact O-CB 3.25Å; L530-N533 WeakPolarHBondContact O-CB 3.28Å; L530-N533 PolarHBondContact O-N 3.09Å
531	M	98.7	Very high	98.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-76.6	-19.1	-175.8	-59.3	-51.1	-64.5	0	0	113	L113 I341 F357 P359 L362 F367 Y369 L527 N533 C536	L113-M531 HydrophobicContact CD1-CE 4.37Å; L113-M531 HydrophobicContact CD1-CG 4.41Å; L113-M531 HydrophobicContact CD2-CG 3.72Å; I341-M531 HydrophobicContact CD1-SD 3.77Å; F357-M531 HydrophobicContact CD2-CE 4.29Å; F357-M531 HydrophobicContact CD2-SD 3.91Å; F357-M531 HydrophobicContact CE2-CE 4.16Å; F357-M531 HydrophobicContact CE2-SD 3.99Å; P359-M531 HydrophobicContact CB-CE 4.36Å; P359-M531 HydrophobicContact CG-CE 4.29Å; L362-M531 HydrophobicContact CD1-CB 3.85Å; L362-M531 HydrophobicContact CD1-CE 4Å; L362-M531 HydrophobicContact CD1-CG 4.21Å; F367-M531 HydrophobicContact CE1-CB 4.3Å; F367-M531 WeakPolarHBondContact CE1-O 3.36Å; F367-M531 HydrophobicContact CE2-CB 4.48Å; F367-M531 HydrophobicContact CZ-CB 3.8Å; Y369-M531 WeakPolarHBondContact CD1-O 3.33Å; L527-M531 WeakPolarHBondContact O-CB 3.32Å; L527-M531 PolarHBondContact O-N 3.49Å; M531-N533 PolarHBondContact O-N 3.12Å; M531-C536 HydrophobicContact CE-CB 4.37Å; M531-C536 WeakPolarHBondContact O-CB 3.23Å
532	G	98.6	Very high	98.6	Very high	2 Å²	2	27.7 Å²	27.7	2%	0.021	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-7.8	172.2	0	0	0	0	0	113.9	Y369 Q370 K528 L530	Y369-G532 CarbonylContact C-O 3.56Å; Y369-G532 WeakPolarHBondContact CA-O 3.38Å; Q370-G532 PolarHBondContact N-O 3.23Å; Q370-G532 VanDerWaalsContact N-O 3.08Å; K528-G532 WeakPolarHBondContact O-CA 3.29Å; K528-G532 PolarHBondContact O-N 3.08Å; L530-G532 VanDerWaalsContact C-N 3.3Å; L530-G532 PolarHBondContact O-N 3.38Å
533	N	98.8	Very high	98.6	Very high	15 Å²	15	30 Å²	30	8%	0.08	16%	0.161	C	C	.	.	S	Bend	trans	-63.5	138.1	175.7	-166	-64.1	0	0	0	110.8	V224 I337 L530 M531 I535 C536	V224-N533 PolarHBondContact O-ND2 3.05Å; I337-N533 HydrophobicContact CD1-CB 3.83Å; L530-N533 VanDerWaalsContact O-CB 3.25Å; L530-N533 WeakPolarHBondContact O-CB 3.28Å; L530-N533 PolarHBondContact O-N 3.09Å; M531-N533 PolarHBondContact O-N 3.12Å; N533-I535 HydrophobicContact CB-CG1 4.38Å; N533-I535 PolarHBondContact O-N 2.93Å; N533-I535 WeakPolarHBondContact OD1-CG1 3.29Å; N533-I535 WeakPolarHBondContact OD1-CG2 3.49Å; N533-I535 PolarHBondContact OD1-N 3.48Å; N533-C536 WeakPolarHBondContact O-CB 3.33Å; N533-C536 PolarHBondContact O-N 2.95Å
534	P	98.8	Very high	98.6	Very high	66 Å²	66	33 Å²	33	43%	0.429	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-57.8	-28.1	178	22.8	-35.4	0	0	0	113.7	C536 S537 Y540	P534-C536 PolarHBondContact O-N 3.34Å; P534-C536 VanDerWaalsContact O-N 3.15Å; P534-S537 WeakPolarHBondContact O-CB 3.25Å; P534-S537 PolarHBondContact O-N 3.28Å; P534-S537 PolarHBondContact O-OG 2.91Å; P534-Y540 WeakPolarHBondContact O-CB 3.38Å
535	I	98.7	Very high	98.6	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.01	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-62.4	-23.7	177.5	73.8	154.3	0	0	0	112.8	L330 I333 G334 I337 N533 S537 W541	L330-I535 HydrophobicContact CD2-CG2 3.92Å; I333-I535 HydrophobicContact CB-CD1 4.37Å; I333-I535 HydrophobicContact CG2-CD1 3.71Å; I333-I535 HydrophobicContact CG2-CG1 4.08Å; I333-I535 HydrophobicContact CG2-CG2 4.27Å; G334-I535 VanDerWaalsContact CA-CD1 3.49Å; I337-I535 HydrophobicContact CD1-CD1 4.07Å; I337-I535 HydrophobicContact CD1-CG1 4.15Å; N533-I535 HydrophobicContact CB-CG1 4.38Å; N533-I535 PolarHBondContact O-N 2.93Å; N533-I535 WeakPolarHBondContact OD1-CG1 3.29Å; N533-I535 WeakPolarHBondContact OD1-CG2 3.49Å; N533-I535 PolarHBondContact OD1-N 3.48Å; I535-S537 VanDerWaalsContact C-N 3.29Å; I535-W541 HydrophobicContact CD1-CZ3 4.47Å; I535-W541 WeakPolarHBondContact O-CB 3.21Å; I535-W541 PolarHBondContact O-N 2.87Å
536	C	98.8	Very high	98.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-83.9	-3.1	177.1	-59.3	0	0	0	0	112.7	P359 Y369 M531 N533 P534	P359-C536 HydrophobicContact CB-CB 4.1Å; P359-C536 WeakPolarHBondContact CB-O 3.15Å; P359-C536 HydrophobicContact CG-CB 4.14Å; Y369-C536 HydrophobicContact CD1-CB 4.3Å; Y369-C536 VanDerWaalsContact CE1-C 3.45Å; Y369-C536 HydrophobicContact CE1-CB 4.12Å; Y369-C536 WeakPolarHBondContact CE1-O 3.49Å; M531-C536 HydrophobicContact CE-CB 4.37Å; M531-C536 WeakPolarHBondContact O-CB 3.23Å; N533-C536 WeakPolarHBondContact O-CB 3.33Å; N533-C536 PolarHBondContact O-N 2.95Å; P534-C536 PolarHBondContact O-N 3.34Å; P534-C536 VanDerWaalsContact O-N 3.15Å
537	S	98.7	Very high	98.6	Very high	14 Å²	14	33.3 Å²	33.3	10%	0.098	18%	0.183	C	C	.	.	S	Bend	trans	-73.6	152.5	177.6	71.8	0	0	0	0	111.2	P534 I535 E539 Y540 W541	P534-S537 WeakPolarHBondContact O-CB 3.25Å; P534-S537 PolarHBondContact O-N 3.28Å; P534-S537 PolarHBondContact O-OG 2.91Å; I535-S537 VanDerWaalsContact C-N 3.29Å; S537-E539 PolarHBondContact O-N 2.99Å; S537-Y540 PolarHBondContact O-N 3.44Å; S537-Y540 VanDerWaalsContact O-N 3.15Å; S537-Y540 PolarHBondContact OG-N 3.32Å; S537-W541 WeakPolarHBondContact O-CB 3.39Å; S537-W541 PolarHBondContact O-N 3.31Å
538	P	98.5	Very high	98.6	Very high	51 Å²	51	34 Å²	34	33%	0.331	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-25.9	173.9	-22.6	30.3	0	0	0	113.3	F363 K542	F363-P538 HydrophobicContact CB-CG 4.41Å; F363-P538 HydrophobicContact CD1-CB 4.28Å; F363-P538 HydrophobicContact CD1-CG 3.61Å; F363-P538 HydrophobicContact CD2-CB 4.44Å; F363-P538 HydrophobicContact CD2-CG 4.48Å; F363-P538 HydrophobicContact CE1-CB 4.29Å; F363-P538 HydrophobicContact CE1-CG 3.93Å; F363-P538 HydrophobicContact CE2-CB 4.44Å; F363-P538 HydrophobicContact CG-CB 4.37Å; F363-P538 HydrophobicContact CG-CG 3.92Å; F363-P538 HydrophobicContact CZ-CB 4.38Å; F363-P538 HydrophobicContact CZ-CG 4.5Å; P538-K542 WeakPolarHBondContact O-CE 3.48Å
539	E	98.5	Very high	98.6	Very high	132 Å²	132	37.3 Å²	37.3	62%	0.617	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-38.1	-179.3	-69.6	-50.9	145.7	0	0	113.5	S537 K542	S537-E539 PolarHBondContact O-N 2.99Å; E539-K542 WeakPolarHBondContact O-CD 3.06Å; E539-K542 WeakPolarHBondContact O-CE 3.24Å; E539-K542 PolarHBondContact O-NZ 3.08Å; E539-K542 IonicContact OE2-NZ 3.26Å; E539-K542 PolarHBondContact OE2-NZ 2.63Å
540	Y	98.8	Very high	98.6	Very high	114 Å²	114	39.6 Å²	39.6	45%	0.447	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-28.8	-176	-80.6	-119.5	0	0	0	112.9	P534 S537 K542 T545	P534-Y540 WeakPolarHBondContact O-CB 3.38Å; S537-Y540 PolarHBondContact O-N 3.44Å; S537-Y540 VanDerWaalsContact O-N 3.15Å; S537-Y540 PolarHBondContact OG-N 3.32Å; Y540-K542 PolarHBondContact O-N 3.11Å; Y540-T545 HydrophobicContact CD1-CG2 4.21Å; Y540-T545 WeakPolarHBondContact O-CB 3.19Å; Y540-T545 WeakPolarHBondContact O-CG2 3.35Å; Y540-T545 PolarHBondContact O-OG1 3.29Å
541	W	98.8	Very high	98.6	Very high	15 Å²	15	39.5 Å²	39.5	6%	0.057	23%	0.229	C	C	.	.			trans	-77	69.2	-175.7	-166.2	-110.1	0	0	0	111.9	F357 P359 F363 I535 S537 F546 F552 V555 N556	F357-W541 HydrophobicContact CD1-CH2 4.49Å; F357-W541 AromaticContact CE1-CH2 3.51Å; F357-W541 HydrophobicContact CE1-CH2 3.51Å; F357-W541 HydrophobicContact CE1-CZ2 4.24Å; F357-W541 HydrophobicContact CE1-CZ3 4.03Å; F357-W541 AromaticContact CZ-CH2 3.8Å; F357-W541 HydrophobicContact CZ-CH2 3.8Å; F357-W541 HydrophobicContact CZ-CZ2 4.46Å; F357-W541 AromaticContact CZ-CZ3 3.94Å; F357-W541 HydrophobicContact CZ-CZ3 3.94Å; P359-W541 HydrophobicContact CB-CB 4.45Å; P359-W541 HydrophobicContact CB-CD2 4.09Å; P359-W541 HydrophobicContact CB-CG 3.9Å; P359-W541 HydrophobicContact CG-CD2 3.61Å; P359-W541 HydrophobicContact CG-CE3 4.01Å; P359-W541 HydrophobicContact CG-CG 3.99Å; P359-W541 HydrophobicContact CG-CH2 4.31Å; P359-W541 HydrophobicContact CG-CZ2 3.95Å; P359-W541 HydrophobicContact CG-CZ3 4.34Å; F363-W541 HydrophobicContact CZ-CB 3.98Å; F363-W541 AromaticContact CZ-CD1 3.94Å; F363-W541 HydrophobicContact CZ-CG 4.28Å; I535-W541 HydrophobicContact CD1-CZ3 4.47Å; I535-W541 WeakPolarHBondContact O-CB 3.21Å; I535-W541 PolarHBondContact O-N 2.87Å; S537-W541 WeakPolarHBondContact O-CB 3.39Å; S537-W541 PolarHBondContact O-N 3.31Å; W541-F546 AromaticContact CE3-CE2 3.89Å; W541-F546 HydrophobicContact CE3-CE2 3.89Å; W541-F546 AromaticContact CE3-CZ 3.74Å; W541-F546 HydrophobicContact CE3-CZ 3.74Å; W541-F546 HydrophobicContact CZ3-CE2 4.06Å; W541-F546 AromaticContact CZ3-CZ 3.73Å; W541-F546 HydrophobicContact CZ3-CZ 3.73Å; W541-F552 AromaticContact CD2-CE2 3.81Å; W541-F552 HydrophobicContact CD2-CE2 3.81Å; W541-F552 HydrophobicContact CD2-CZ 4.21Å; W541-F552 AromaticContact CE2-CE2 3.5Å; W541-F552 VanDerWaalsContact CE2-CE2 3.5Å; W541-F552 AromaticContact CE2-CZ 3.59Å; W541-F552 HydrophobicContact CE3-CE2 4.06Å; W541-F552 HydrophobicContact CG-CE2 4.49Å; W541-F552 AromaticContact CH2-CE2 3.8Å; W541-F552 HydrophobicContact CH2-CE2 3.8Å; W541-F552 HydrophobicContact CH2-CZ 4.49Å; W541-F552 AromaticContact CZ2-CE2 3.51Å; W541-F552 HydrophobicContact CZ2-CE2 3.51Å; W541-F552 AromaticContact CZ2-CZ 3.77Å; W541-F552 HydrophobicContact CZ2-CZ 3.77Å; W541-F552 HydrophobicContact CZ3-CE2 4.06Å; W541-F552 AromaticContact NE1-CE2 4Å; W541-F552 AromaticContact NE1-CZ 3.63Å; W541-V555 HydrophobicContact CH2-CG1 3.63Å; W541-V555 HydrophobicContact CZ3-CG1 4.01Å; W541-N556 WeakPolarHBondContact CZ2-OD1 2.99Å
542	K	98.6	Very high	98.6	Very high	80 Å²	80	41 Å²	41	35%	0.348	24%	0.235	S	C	.	.	S	Bend	trans	-140	144.7	-177.4	-62.2	172.1	-172.8	152.6	0	108.3	P538 E539 Y540 S544 T545 F546	P538-K542 WeakPolarHBondContact O-CE 3.48Å; E539-K542 WeakPolarHBondContact O-CD 3.06Å; E539-K542 WeakPolarHBondContact O-CE 3.24Å; E539-K542 PolarHBondContact O-NZ 3.08Å; E539-K542 IonicContact OE2-NZ 3.26Å; E539-K542 PolarHBondContact OE2-NZ 2.63Å; Y540-K542 PolarHBondContact O-N 3.11Å; K542-S544 PolarHBondContact O-N 2.74Å; K542-S544 VanDerWaalsContact O-N 3.1Å; K542-T545 WeakPolarHBondContact O-CB 3.21Å; K542-T545 PolarHBondContact O-N 2.93Å; K542-T545 PolarHBondContact O-OG1 3.38Å; K542-F546 VanDerWaalsContact O-CD2 3.29Å; K542-F546 WeakPolarHBondContact O-CD2 3.25Å
543	P	98.7	Very high	98.6	Very high	58 Å²	58	44.9 Å²	44.9	38%	0.377	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-53.2	-36.7	179.4	-28	34.3	0	0	0	113.7	T545 F546 G547 G548 F552	P543-T545 PolarHBondContact O-N 2.81Å; P543-F546 CarbonylContact O-C 3.25Å; P543-F546 PolarHBondContact O-N 2.74Å; P543-G547 PolarHBondContact O-N 3.39Å; P543-G548 CarbonylContact O-C 3.52Å; P543-G548 WeakPolarHBondContact O-CA 3.43Å; P543-G548 PolarHBondContact O-N 2.77Å; P543-F552 HydrophobicContact CB-CB 4.25Å; P543-F552 HydrophobicContact CB-CD1 4.42Å; P543-F552 HydrophobicContact CB-CG 4.42Å; P543-F552 HydrophobicContact CG-CD1 3.88Å; P543-F552 HydrophobicContact CG-CE1 4.28Å; P543-F552 HydrophobicContact CG-CG 4.31Å
544	S	98.4	Very high	98.6	Very high	89 Å²	89	45.3 Å²	45.3	62%	0.622	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-57.8	-32.5	179	53.8	0	0	0	0	114.3	K542 F546 G547	K542-S544 PolarHBondContact O-N 2.74Å; K542-S544 VanDerWaalsContact O-N 3.1Å; S544-F546 PolarHBondContact O-N 3Å; S544-G547 PolarHBondContact O-N 2.63Å
545	T	98.8	Very high	98.6	Very high	29 Å²	29	42.2 Å²	42.2	18%	0.178	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-63.9	-30	177.5	-56	0	0	0	0	112	L330 Y540 K542 P543	L330-T545 HydrophobicContact CD1-CG2 3.86Å; Y540-T545 HydrophobicContact CD1-CG2 4.21Å; Y540-T545 WeakPolarHBondContact O-CB 3.19Å; Y540-T545 WeakPolarHBondContact O-CG2 3.35Å; Y540-T545 PolarHBondContact O-OG1 3.29Å; K542-T545 WeakPolarHBondContact O-CB 3.21Å; K542-T545 PolarHBondContact O-N 2.93Å; K542-T545 PolarHBondContact O-OG1 3.38Å; P543-T545 PolarHBondContact O-N 2.81Å
546	F	98.8	Very high	98.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-104.4	17.3	-177.6	-51.6	-76.8	0	0	0	111.7	T327 L330 I331 W541 K542 P543 S544 G551 F552 V555	T327-F546 VanDerWaalsContact CG2-C 3.49Å; L330-F546 HydrophobicContact CB-CD1 4.28Å; L330-F546 HydrophobicContact CB-CE1 4.3Å; I331-F546 HydrophobicContact CG1-CB 3.96Å; I331-F546 HydrophobicContact CG1-CD1 4.01Å; I331-F546 HydrophobicContact CG1-CG 4.47Å; W541-F546 AromaticContact CE3-CE2 3.89Å; W541-F546 HydrophobicContact CE3-CE2 3.89Å; W541-F546 AromaticContact CE3-CZ 3.74Å; W541-F546 HydrophobicContact CE3-CZ 3.74Å; W541-F546 HydrophobicContact CZ3-CE2 4.06Å; W541-F546 AromaticContact CZ3-CZ 3.73Å; W541-F546 HydrophobicContact CZ3-CZ 3.73Å; K542-F546 VanDerWaalsContact O-CD2 3.29Å; K542-F546 WeakPolarHBondContact O-CD2 3.25Å; P543-F546 CarbonylContact O-C 3.25Å; P543-F546 PolarHBondContact O-N 2.74Å; S544-F546 PolarHBondContact O-N 3Å; F546-G551 WeakPolarHBondContact O-CA 3.32Å; F546-F552 HydrophobicContact CB-CB 4.43Å; F546-F552 HydrophobicContact CD2-CB 4.37Å; F546-F552 AromaticContact CD2-CD2 3.39Å; F546-F552 HydrophobicContact CD2-CD2 3.39Å; F546-F552 HydrophobicContact CD2-CE2 4.07Å; F546-F552 HydrophobicContact CD2-CG 4.28Å; F546-F552 AromaticContact CE2-CD2 3.62Å; F546-F552 HydrophobicContact CE2-CD2 3.62Å; F546-F552 AromaticContact CE2-CE2 3.82Å; F546-F552 HydrophobicContact CE2-CE2 3.82Å; F546-F552 HydrophobicContact CG-CD2 4.28Å; F546-V555 HydrophobicContact CD1-CG2 4.1Å; F546-V555 HydrophobicContact CE1-CG2 4.26Å
547	G	98.2	Very high	98.6	Very high	5 Å²	5	47.5 Å²	47.5	5%	0.052	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.7	30.1	-179.2	0	0	0	0	0	115.1	H316 W319 P543 S544	H316-G547 PolarHBondContact NE2-O 3.41Å; W319-G547 VanDerWaalsContact CH2-CA 3.48Å; P543-G547 PolarHBondContact O-N 3.39Å; S544-G547 PolarHBondContact O-N 2.63Å
548	G	98.5	Very high	98.6	Very high	25 Å²	25	47.3 Å²	47.3	26%	0.258	27%	0.267	S	S	.	.	S	Bend	trans	104.1	-169.7	176.3	0	0	0	0	0	112.7	P543 V550 F552	P543-G548 CarbonylContact O-C 3.52Å; P543-G548 WeakPolarHBondContact O-CA 3.43Å; P543-G548 PolarHBondContact O-N 2.77Å; G548-V550 VanDerWaalsContact C-N 3.28Å; G548-V550 PolarHBondContact O-N 3.38Å; G548-F552 WeakPolarHBondContact O-CB 3.47Å; G548-F552 PolarHBondContact O-N 2.86Å
549	S	98.5	Very high	98.6	Very high	75 Å²	75	46.3 Å²	46.3	52%	0.524	26%	0.261	S	S	.	.	H	α-helix	trans	-60.9	-37.1	-178.4	52.7	0	0	0	0	112.3	G551 F552 D553	S549-G551 PolarHBondContact O-N 3.48Å; S549-F552 CarbonylContact O-C 3.59Å; S549-F552 PolarHBondContact O-N 2.95Å; S549-D553 WeakPolarHBondContact O-CB 3.36Å; S549-D553 PolarHBondContact O-N 2.99Å
550	V	98.6	Very high	98.6	Very high	58 Å²	58	40.2 Å²	40.2	35%	0.352	23%	0.233	S	C	.	.	H	α-helix	trans	-57.5	-54.3	-178.7	178.7	0	0	0	0	111.7	V311 V315 G548 F552 D553 I554	V311-V550 HydrophobicContact CG1-CG1 3.58Å; V315-V550 HydrophobicContact CG2-CB 4.32Å; V315-V550 HydrophobicContact CG2-CG1 4.22Å; V315-V550 HydrophobicContact CG2-CG2 4.1Å; G548-V550 VanDerWaalsContact C-N 3.28Å; G548-V550 PolarHBondContact O-N 3.38Å; V550-F552 VanDerWaalsContact C-N 3.31Å; V550-F552 PolarHBondContact O-N 3.45Å; V550-D553 PolarHBondContact O-N 3.42Å; V550-I554 WeakPolarHBondContact O-CG1 3.44Å; V550-I554 PolarHBondContact O-N 2.93Å; V550-I554 VanDerWaalsContact O-N 3.14Å
551	G	98.6	Very high	98.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-69	-30.8	178.5	0	0	0	0	0	113.1	F546 S549 I554 V555	F546-G551 WeakPolarHBondContact O-CA 3.32Å; S549-G551 PolarHBondContact O-N 3.48Å; G551-I554 WeakPolarHBondContact O-CB 3.24Å; G551-I554 PolarHBondContact O-N 3.35Å; G551-V555 PolarHBondContact O-N 2.98Å
552	F	98.8	Very high	98.5	Very high	30 Å²	30	43.2 Å²	43.2	13%	0.132	25%	0.247	C	C	.	.	H	α-helix	trans	-67.8	-36.5	174.4	-165.2	-129.2	0	0	0	112.6	W541 P543 F546 G548 S549 V550 V555 N556	W541-F552 AromaticContact CD2-CE2 3.81Å; W541-F552 HydrophobicContact CD2-CE2 3.81Å; W541-F552 HydrophobicContact CD2-CZ 4.21Å; W541-F552 AromaticContact CE2-CE2 3.5Å; W541-F552 VanDerWaalsContact CE2-CE2 3.5Å; W541-F552 AromaticContact CE2-CZ 3.59Å; W541-F552 HydrophobicContact CE3-CE2 4.06Å; W541-F552 HydrophobicContact CG-CE2 4.49Å; W541-F552 AromaticContact CH2-CE2 3.8Å; W541-F552 HydrophobicContact CH2-CE2 3.8Å; W541-F552 HydrophobicContact CH2-CZ 4.49Å; W541-F552 AromaticContact CZ2-CE2 3.51Å; W541-F552 HydrophobicContact CZ2-CE2 3.51Å; W541-F552 AromaticContact CZ2-CZ 3.77Å; W541-F552 HydrophobicContact CZ2-CZ 3.77Å; W541-F552 HydrophobicContact CZ3-CE2 4.06Å; W541-F552 AromaticContact NE1-CE2 4Å; W541-F552 AromaticContact NE1-CZ 3.63Å; P543-F552 HydrophobicContact CB-CB 4.25Å; P543-F552 HydrophobicContact CB-CD1 4.42Å; P543-F552 HydrophobicContact CB-CG 4.42Å; P543-F552 HydrophobicContact CG-CD1 3.88Å; P543-F552 HydrophobicContact CG-CE1 4.28Å; P543-F552 HydrophobicContact CG-CG 4.31Å; F546-F552 HydrophobicContact CB-CB 4.43Å; F546-F552 HydrophobicContact CD2-CB 4.37Å; F546-F552 AromaticContact CD2-CD2 3.39Å; F546-F552 HydrophobicContact CD2-CD2 3.39Å; F546-F552 HydrophobicContact CD2-CE2 4.07Å; F546-F552 HydrophobicContact CD2-CG 4.28Å; F546-F552 AromaticContact CE2-CD2 3.62Å; F546-F552 HydrophobicContact CE2-CD2 3.62Å; F546-F552 AromaticContact CE2-CE2 3.82Å; F546-F552 HydrophobicContact CE2-CE2 3.82Å; F546-F552 HydrophobicContact CG-CD2 4.28Å; G548-F552 WeakPolarHBondContact O-CB 3.47Å; G548-F552 PolarHBondContact O-N 2.86Å; S549-F552 CarbonylContact O-C 3.59Å; S549-F552 PolarHBondContact O-N 2.95Å; V550-F552 VanDerWaalsContact C-N 3.31Å; V550-F552 PolarHBondContact O-N 3.45Å; F552-V555 PolarHBondContact O-N 2.92Å; F552-N556 VanDerWaalsContact CD1-ND2 3.28Å; F552-N556 WeakPolarHBondContact CD1-ND2 3.25Å; F552-N556 WeakPolarHBondContact CE1-ND2 3.34Å; F552-N556 WeakPolarHBondContact CZ-ND2 3.47Å; F552-N556 PolarHBondContact O-N 3.12Å; F552-N556 PolarHBondContact O-ND2 3.02Å
553	D	98.8	Very high	98.5	Very high	85 Å²	85	39.6 Å²	39.6	46%	0.455	23%	0.231	S	C	.	.	H	α-helix	trans	-70.4	-33.9	176.6	-70.6	-24	0	0	0	111.7	S549 V550 V555 N556 T557	S549-D553 WeakPolarHBondContact O-CB 3.36Å; S549-D553 PolarHBondContact O-N 2.99Å; V550-D553 PolarHBondContact O-N 3.42Å; D553-V555 VanDerWaalsContact C-N 3.33Å; D553-V555 PolarHBondContact O-N 2.78Å; D553-N556 PolarHBondContact O-N 3Å; D553-T557 WeakPolarHBondContact O-CB 3.49Å; D553-T557 WeakPolarHBondContact O-CG2 3.44Å; D553-T557 PolarHBondContact O-N 2.98Å; D553-T557 PolarHBondContact O-OG1 3.14Å
554	I	98.8	Very high	98.5	Very high	24 Å²	24	36.8 Å²	36.8	12%	0.123	21%	0.213	C	C	.	.	H	α-helix	trans	-55.2	-51.6	170.2	-67.1	171	0	0	0	109.4	V308 V311 I331 E335 V550 G551 T557 A558	V308-I554 HydrophobicContact CG2-CD1 4.37Å; V308-I554 HydrophobicContact CG2-CG2 4.49Å; V311-I554 HydrophobicContact CG1-CD1 4.29Å; I331-I554 HydrophobicContact CG2-CB 4.05Å; I331-I554 HydrophobicContact CG2-CG2 3.55Å; E335-I554 VanDerWaalsContact CD-CG2 3.49Å; E335-I554 HydrophobicContact CG-CG2 3.98Å; E335-I554 WeakPolarHBondContact OE1-CG2 3.32Å; V550-I554 WeakPolarHBondContact O-CG1 3.44Å; V550-I554 PolarHBondContact O-N 2.93Å; V550-I554 VanDerWaalsContact O-N 3.14Å; G551-I554 WeakPolarHBondContact O-CB 3.24Å; G551-I554 PolarHBondContact O-N 3.35Å; I554-T557 PolarHBondContact O-N 3.34Å; I554-A558 PolarHBondContact O-N 3.19Å; I554-A558 VanDerWaalsContact O-N 3.09Å
555	V	98.7	Very high	98.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.8	-52.3	177.5	175.8	0	0	0	0	112.2	I331 K338 F357 W541 F546 G551 F552 D553 T557 A558	I331-V555 HydrophobicContact CB-CG2 4.33Å; I331-V555 HydrophobicContact CG2-CG2 4.02Å; I331-V555 WeakPolarHBondContact O-CG2 3.4Å; K338-V555 WeakPolarHBondContact CG-O 3.25Å; F357-V555 HydrophobicContact CE1-CG1 4.22Å; W541-V555 HydrophobicContact CH2-CG1 3.63Å; W541-V555 HydrophobicContact CZ3-CG1 4.01Å; F546-V555 HydrophobicContact CD1-CG2 4.1Å; F546-V555 HydrophobicContact CE1-CG2 4.26Å; G551-V555 PolarHBondContact O-N 2.98Å; F552-V555 PolarHBondContact O-N 2.92Å; D553-V555 VanDerWaalsContact C-N 3.33Å; D553-V555 PolarHBondContact O-N 2.78Å; V555-T557 PolarHBondContact O-N 2.96Å; V555-A558 PolarHBondContact O-N 3.26Å
556	N	98.3	Very high	98.4	Very high	45 Å²	45	37.4 Å²	37.4	24%	0.241	21%	0.211	C	C	.	.	H	α-helix	trans	-68.1	-20.9	-171.8	-76.4	-50.5	0	0	0	113.6	K338 W541 F552 D553	K338-N556 WeakPolarHBondContact CE-O 3.34Å; K338-N556 PolarHBondContact NZ-O 3.44Å; K338-N556 VanDerWaalsContact NZ-O 3.17Å; W541-N556 WeakPolarHBondContact CZ2-OD1 2.99Å; F552-N556 VanDerWaalsContact CD1-ND2 3.28Å; F552-N556 WeakPolarHBondContact CD1-ND2 3.25Å; F552-N556 WeakPolarHBondContact CE1-ND2 3.34Å; F552-N556 WeakPolarHBondContact CZ-ND2 3.47Å; F552-N556 PolarHBondContact O-N 3.12Å; F552-N556 PolarHBondContact O-ND2 3.02Å; D553-N556 PolarHBondContact O-N 3Å
557	T	98.4	Very high	98.3	Very high	68 Å²	68	38 Å²	38	42%	0.417	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.4	10.5	-176.3	73.8	0	0	0	0	113.5	D553 I554 V555 R562	D553-T557 WeakPolarHBondContact O-CB 3.49Å; D553-T557 WeakPolarHBondContact O-CG2 3.44Å; D553-T557 PolarHBondContact O-N 2.98Å; D553-T557 PolarHBondContact O-OG1 3.14Å; I554-T557 PolarHBondContact O-N 3.34Å; V555-T557 PolarHBondContact O-N 2.96Å; T557-R562 WeakPolarHBondContact O-CD 3.42Å; T557-R562 PolarHBondContact O-NH1 3.31Å; T557-R562 PolarHBondContact OG1-NH1 2.03Å
558	A	98.8	Very high	98.1	Very high	10 Å²	10	38.5 Å²	38.5	8%	0.083	22%	0.216	C	C	.	.			trans	-63	142.7	174.9	0	0	0	0	0	111.9	E335 K338 I339 I554 V555	E335-A558 HydrophobicContact CB-CB 3.77Å; E335-A558 HydrophobicContact CG-CB 3.77Å; K338-A558 HydrophobicContact CB-CB 4.27Å; K338-A558 HydrophobicContact CG-CB 4.04Å; K338-A558 WeakPolarHBondContact CG-O 3.48Å; I339-A558 HydrophobicContact CD1-CB 4.47Å; I339-A558 HydrophobicContact CG1-CB 4.29Å; I554-A558 PolarHBondContact O-N 3.19Å; I554-A558 VanDerWaalsContact O-N 3.09Å; V555-A558 PolarHBondContact O-N 3.26Å
559	S	98.8	Very high	97.5	Very high	30 Å²	30	42.5 Å²	42.5	21%	0.21	23%	0.228	C	C	.	.			trans	-152.8	159	171.4	69	0	0	0	0	109.3	D343 Q561 R562 L563	D343-S559 WeakPolarHBondContact OD2-CA 3.48Å; S559-Q561 PolarHBondContact O-N 2.71Å; S559-R562 PolarHBondContact O-N 3.28Å; S559-R562 VanDerWaalsContact O-N 3.16Å; S559-R562 WeakPolarHBondContact OG-CG 3.17Å; S559-R562 PolarHBondContact OG-N 2.63Å; S559-L563 PolarHBondContact O-N 2.78Å
560	L	98.4	Very high	96.9	Very high	5 Å²	5	42 Å²	42	3%	0.026	24%	0.235	C	C	.	.	H	α-helix	trans	-53.6	-45.1	176.1	179.7	67.5	0	0	0	111.6	M193 I339 D343 R562 L563 V564 A575 F577	M193-L560 HydrophobicContact CE-CD1 4.15Å; M193-L560 HydrophobicContact CG-CD2 4.42Å; I339-L560 HydrophobicContact CG2-CB 4.35Å; D343-L560 PolarHBondContact OD2-N 3.12Å; L560-R562 PolarHBondContact O-N 3.08Å; L560-L563 PolarHBondContact O-N 2.87Å; L560-V564 PolarHBondContact O-N 3.47Å; L560-A575 HydrophobicContact CD2-CB 4.39Å; L560-A575 HydrophobicContact CG-CB 4.17Å; L560-F577 HydrophobicContact CB-CZ 4.47Å; L560-F577 HydrophobicContact CD1-CE1 4.02Å; L560-F577 HydrophobicContact CD1-CZ 3.9Å; L560-F577 HydrophobicContact CD2-CD1 3.65Å; L560-F577 HydrophobicContact CD2-CD2 4.14Å; L560-F577 HydrophobicContact CD2-CE1 3.49Å; L560-F577 VanDerWaalsContact CD2-CE1 3.49Å; L560-F577 HydrophobicContact CD2-CE2 4Å; L560-F577 HydrophobicContact CD2-CG 3.99Å; L560-F577 HydrophobicContact CD2-CZ 3.69Å; L560-F577 HydrophobicContact CG-CE1 4.34Å; L560-F577 HydrophobicContact CG-CZ 4.22Å
561	Q	97.9	Very high	96.4	Very high	65 Å²	65	45.2 Å²	45.2	30%	0.304	26%	0.257	S	S	.	.	H	α-helix	trans	-61.8	-42.1	-179.7	-173.1	64	62.3	0	0	111.9	S559 V564 C565 C572 P573 A575	S559-Q561 PolarHBondContact O-N 2.71Å; Q561-V564 PolarHBondContact O-N 2.98Å; Q561-C565 PolarHBondContact NE2-SG 3.32Å; Q561-C565 WeakPolarHBondContact O-CB 3.28Å; Q561-C565 PolarHBondContact O-N 2.91Å; Q561-C565 PolarHBondContact O-SG 2.62Å; Q561-C572 PolarHBondContact NE2-SG 3.14Å; Q561-P573 PolarHBondContact NE2-O 3.15Å; Q561-A575 PolarHBondContact OE1-O 3.43Å
562	R	98.1	Very high	96.1	Very high	127 Å²	127	48 Å²	48	48%	0.479	28%	0.275	S	S	.	.	H	α-helix	trans	-68.9	-43.2	178.1	-77.2	176	170.6	-156.8	-3.4	112	T557 S559 L560 V564 C565 N566	T557-R562 WeakPolarHBondContact O-CD 3.42Å; T557-R562 PolarHBondContact O-NH1 3.31Å; T557-R562 PolarHBondContact OG1-NH1 2.03Å; S559-R562 PolarHBondContact O-N 3.28Å; S559-R562 VanDerWaalsContact O-N 3.16Å; S559-R562 WeakPolarHBondContact OG-CG 3.17Å; S559-R562 PolarHBondContact OG-N 2.63Å; L560-R562 PolarHBondContact O-N 3.08Å; R562-V564 PolarHBondContact O-N 2.67Å; R562-C565 PolarHBondContact O-N 3.31Å; R562-N566 VanDerWaalsContact O-CB 3.27Å; R562-N566 WeakPolarHBondContact O-CB 3.5Å; R562-N566 PolarHBondContact O-N 3.31Å; R562-N566 PolarHBondContact O-ND2 2.96Å
563	L	98.6	Very high	95.8	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-54.1	-44.7	175.2	175.2	61.7	0	0	0	111	I300 W301 E304 I339 S559 L560 N567	I300-L563 HydrophobicContact CG2-CD1 3.84Å; I300-L563 HydrophobicContact CG2-CD2 4.17Å; I300-L563 HydrophobicContact CG2-CG 3.65Å; W301-L563 HydrophobicContact CD2-CD1 4.43Å; W301-L563 HydrophobicContact CD2-CD2 4.28Å; W301-L563 HydrophobicContact CE3-CD1 4.11Å; W301-L563 HydrophobicContact CH2-CD1 4.36Å; W301-L563 HydrophobicContact CH2-CD2 3.78Å; W301-L563 HydrophobicContact CZ2-CD2 3.48Å; W301-L563 VanDerWaalsContact CZ2-CD2 3.48Å; W301-L563 HydrophobicContact CZ3-CD1 4.07Å; W301-L563 HydrophobicContact CZ3-CD2 4.29Å; E304-L563 HydrophobicContact CB-CD1 3.75Å; E304-L563 HydrophobicContact CG-CD1 3.78Å; I339-L563 HydrophobicContact CD1-CB 4.19Å; I339-L563 HydrophobicContact CD1-CD2 3.97Å; S559-L563 PolarHBondContact O-N 2.78Å; L560-L563 PolarHBondContact O-N 2.87Å; L563-N567 WeakPolarHBondContact O-CB 3.34Å; L563-N567 PolarHBondContact O-ND2 3.36Å
564	V	98.1	Very high	95.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-70.8	-52.4	176.8	171.7	0	0	0	0	111.6	M193 I300 V419 L560 Q561 R562 N566 N567 V568 P573 A575	M193-V564 HydrophobicContact CE-CG2 3.97Å; I300-V564 HydrophobicContact CD1-CG2 4.46Å; V419-V564 HydrophobicContact CG1-CG1 3.93Å; V419-V564 HydrophobicContact CG1-CG2 4.32Å; V419-V564 HydrophobicContact CG2-CG1 4.36Å; V419-V564 HydrophobicContact CG2-CG2 4.49Å; L560-V564 PolarHBondContact O-N 3.47Å; Q561-V564 PolarHBondContact O-N 2.98Å; R562-V564 PolarHBondContact O-N 2.67Å; V564-N566 PolarHBondContact O-N 3.08Å; V564-N567 PolarHBondContact O-N 3Å; V564-V568 HydrophobicContact CG1-CB 4.45Å; V564-V568 HydrophobicContact CG1-CG2 3.84Å; V564-V568 WeakPolarHBondContact O-CG2 3.25Å; V564-V568 PolarHBondContact O-N 3.42Å; V564-P573 HydrophobicContact CG1-CG 3.8Å; V564-A575 HydrophobicContact CB-CB 3.82Å; V564-A575 HydrophobicContact CG1-CB 4.08Å; V564-A575 HydrophobicContact CG2-CB 3.58Å
565	C	97	Very high	95.4	Very high	48 Å²	48	44.8 Å²	44.8	32%	0.324	26%	0.264	S	S	.	.	H	α-helix	trans	-58.7	-35.8	-176	-69.8	0	0	0	0	113.3	Q561 R562 N567 C572	Q561-C565 PolarHBondContact NE2-SG 3.32Å; Q561-C565 WeakPolarHBondContact O-CB 3.28Å; Q561-C565 PolarHBondContact O-N 2.91Å; Q561-C565 PolarHBondContact O-SG 2.62Å; R562-C565 PolarHBondContact O-N 3.31Å; C565-N567 PolarHBondContact O-N 3.42Å; C565-C572 WeakPolarHBondContact CA-SG 3.09Å; C565-C572 HydrophobicContact CB-CB 3.82Å; C565-C572 WeakPolarHBondContact CB-SG 3.31Å; C565-C572 WeakPolarHBondContact SG-CB 3.33Å; C565-C572 CovalentContact SG-SG 2.02Å; C565-C572 PolarHBondContact SG-SG 3.34Å
566	N	97.3	Very high	95.3	Very high	83 Å²	83	45.4 Å²	45.4	44%	0.444	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-16.3	-179.4	-69.8	-14.2	0	0	0	112.8	R562 V564	R562-N566 VanDerWaalsContact O-CB 3.27Å; R562-N566 WeakPolarHBondContact O-CB 3.5Å; R562-N566 PolarHBondContact O-N 3.31Å; R562-N566 PolarHBondContact O-ND2 2.96Å; V564-N566 PolarHBondContact O-N 3.08Å
567	N	97.7	Very high	95.3	Very high	13 Å²	13	43.6 Å²	43.6	7%	0.07	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.7	4.1	-165.5	-65.5	-67.9	0	0	0	114.9	R303 E304 L563 V564 C565	R303-N567 HydrophobicContact CB-CB 3.83Å; R303-N567 VanDerWaalsContact CB-OD1 3.31Å; R303-N567 WeakPolarHBondContact CB-OD1 3.31Å; R303-N567 WeakPolarHBondContact CD-O 3.42Å; R303-N567 PolarHBondContact NH1-O 2.69Å; R303-N567 PolarHBondContact O-OD1 2.82Å; E304-N567 WeakPolarHBondContact CA-OD1 3.5Å; E304-N567 PolarHBondContact N-OD1 3.45Å; E304-N567 VanDerWaalsContact N-OD1 3.1Å; E304-N567 PolarHBondContact OE2-ND2 3.11Å; L563-N567 WeakPolarHBondContact O-CB 3.34Å; L563-N567 PolarHBondContact O-ND2 3.36Å; V564-N567 PolarHBondContact O-N 3Å; C565-N567 PolarHBondContact O-N 3.42Å
568	V	93.3	Very high	95.2	Very high	14 Å²	14	45.6 Å²	45.6	9%	0.085	26%	0.259	C	S	.	.	S	Bend	trans	-113	135.3	175.5	172.7	0	0	0	0	109.4	I415 G416 V564 P573	I415-V568 HydrophobicContact CG2-CG2 3.89Å; G416-V568 VanDerWaalsContact CA-CG1 3.42Å; V564-V568 HydrophobicContact CG1-CB 4.45Å; V564-V568 HydrophobicContact CG1-CG2 3.84Å; V564-V568 WeakPolarHBondContact O-CG2 3.25Å; V564-V568 PolarHBondContact O-N 3.42Å; V568-P573 HydrophobicContact CG1-CG 4.26Å
569	Q	85.6	Confident	95.1	Very high	110 Å²	110	47 Å²	47	51%	0.514	27%	0.266	S	S	.	.	S	Bend	trans	-76.8	148.7	176.2	-69.7	-172.1	0.1	0	0	111	G255 E256	G255-Q569 PolarHBondContact O-NE2 3.17Å; E256-Q569 HydrophobicContact CG-CG 4.16Å
570	G	85.8	Confident	94.6	Very high	64 Å²	64	46.7 Å²	46.7	66%	0.66	26%	0.263	S	S	*	.	S	Bend	trans	89.3	-162.6	179.7	0	0	0	0	0	113.5	C572	G570-C572 PolarHBondContact O-N 3.38Å
571	P	88.6	Confident	93.6	Very high	125 Å²	125	52.2 Å²	52.2	81%	0.812	29%	0.293	S	S	*	.	S	Bend	trans	-62.6	136.2	175.7	27.6	-33	0	0	0	109.4	P573	P571-P573 VanDerWaalsContact O-CD 3.27Å; P571-P573 WeakPolarHBondContact O-CD 3.5Å; P571-P573 VanDerWaalsContact O-N 3.15Å
572	C	92	Very high	91.6	Very high	58 Å²	58	56.6 Å²	56.6	39%	0.392	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-63.2	119.4	-179.3	-179.8	0	0	0	0	110.5	Q561 C565 G570	Q561-C572 PolarHBondContact NE2-SG 3.14Å; C565-C572 WeakPolarHBondContact CA-SG 3.09Å; C565-C572 HydrophobicContact CB-CB 3.82Å; C565-C572 WeakPolarHBondContact CB-SG 3.31Å; C565-C572 WeakPolarHBondContact SG-CB 3.33Å; C565-C572 CovalentContact SG-SG 2.02Å; C565-C572 PolarHBondContact SG-SG 3.34Å; G570-C572 PolarHBondContact O-N 3.38Å
573	P	92.8	Very high	89.1	Confident	17 Å²	17	60 Å²	60	11%	0.11	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-70.8	154.2	175.9	30.3	-34.2	0	0	0	110.3	V419 D420 Q561 V564 V568 P571 A575	V419-P573 HydrophobicContact CB-CG 4.25Å; V419-P573 HydrophobicContact CG1-CB 4.44Å; V419-P573 HydrophobicContact CG1-CG 4.07Å; D420-P573 HydrophobicContact CB-CB 4.32Å; Q561-P573 PolarHBondContact NE2-O 3.15Å; V564-P573 HydrophobicContact CG1-CG 3.8Å; V568-P573 HydrophobicContact CG1-CG 4.26Å; P571-P573 VanDerWaalsContact O-CD 3.27Å; P571-P573 WeakPolarHBondContact O-CD 3.5Å; P571-P573 VanDerWaalsContact O-N 3.15Å; P573-A575 PolarHBondContact O-N 2.88Å
574	V	93.5	Very high	86.4	Confident	49 Å²	49	64.2 Å²	64.2	30%	0.297	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-67.2	123.7	170.2	178.6	0	0	0	0	107.9	T423 P580	T423-V574 HydrophobicContact CG2-CG1 4.41Å; T423-V574 PolarHBondContact OG1-O 2.87Å; V574-P580 HydrophobicContact CG1-CG 4.14Å
575	A	95.7	Very high	83.7	Confident	7 Å²	7	67.8 Å²	67.8	6%	0.058	38%	0.376	C	S	.	.			trans	-116.7	109.3	177	0	0	0	0	0	108.9	V419 L560 Q561 V564 P573	V419-A575 HydrophobicContact CG1-CB 3.94Å; L560-A575 HydrophobicContact CD2-CB 4.39Å; L560-A575 HydrophobicContact CG-CB 4.17Å; Q561-A575 PolarHBondContact OE1-O 3.43Å; V564-A575 HydrophobicContact CB-CB 3.82Å; V564-A575 HydrophobicContact CG1-CB 4.08Å; V564-A575 HydrophobicContact CG2-CB 3.58Å; P573-A575 PolarHBondContact O-N 2.88Å
576	S	97.2	Very high	80.6	Confident	12 Å²	12	69 Å²	69	8%	0.084	40%	0.397	C	S	.	.			trans	-140.6	144.6	-175.1	-178.9	0	0	0	0	111.9	S191 M193 Y578	S191-S576 PolarHBondContact OG-O 2.81Å; M193-S576 WeakPolarHBondContact CB-O 3.27Å; S576-Y578 VanDerWaalsContact C-N 3.26Å; S576-Y578 VanDerWaalsContact CB-O 3.24Å; S576-Y578 WeakPolarHBondContact CB-O 3.43Å; S576-Y578 WeakPolarHBondContact OG-CD1 3.39Å; S576-Y578 WeakPolarHBondContact OG-CE1 3.38Å; S576-Y578 PolarHBondContact OG-N 3.39Å; S576-Y578 VanDerWaalsContact OG-N 3.12Å; S576-Y578 PolarHBondContact OG-O 2.85Å
577	F	98.4	Very high	77.4	Confident	7 Å²	7	69.8 Å²	69.8	3%	0.031	41%	0.409	C	S	.	.	S	Bend	trans	-79.3	-8.8	171.7	-69	-35.3	0	0	0	113.9	T190 S191 F194 F197 I339 D343 Y344 H347 L560	T190-F577 WeakPolarHBondContact CA-O 3.4Å; S191-F577 PolarHBondContact N-O 2.81Å; S191-F577 PolarHBondContact OG-O 2.66Å; F194-F577 VanDerWaalsContact CA-CD1 3.45Å; F194-F577 HydrophobicContact CB-CB 3.94Å; F194-F577 HydrophobicContact CB-CD1 3.74Å; F194-F577 HydrophobicContact CB-CG 4.12Å; F194-F577 HydrophobicContact CD2-CB 3.95Å; F194-F577 HydrophobicContact CD2-CD1 4.23Å; F194-F577 HydrophobicContact CD2-CG 4Å; F194-F577 HydrophobicContact CG-CB 4.44Å; F194-F577 HydrophobicContact CG-CD1 4.47Å; F197-F577 HydrophobicContact CB-CE1 3.58Å; F197-F577 HydrophobicContact CB-CZ 4.03Å; F197-F577 HydrophobicContact CD1-CE1 4.2Å; F197-F577 AromaticContact CD1-CZ 3.79Å; F197-F577 HydrophobicContact CD1-CZ 3.79Å; F197-F577 AromaticContact CD2-CE1 3.97Å; F197-F577 HydrophobicContact CD2-CE1 3.97Å; F197-F577 AromaticContact CD2-CZ 3.69Å; F197-F577 HydrophobicContact CD2-CZ 3.69Å; F197-F577 HydrophobicContact CE1-CZ 4.12Å; F197-F577 HydrophobicContact CE2-CZ 4.04Å; F197-F577 AromaticContact CG-CE1 3.66Å; F197-F577 HydrophobicContact CG-CE1 3.66Å; F197-F577 AromaticContact CG-CZ 3.55Å; F197-F577 HydrophobicContact CG-CZ 3.55Å; F197-F577 HydrophobicContact CZ-CZ 4.24Å; I339-F577 HydrophobicContact CG2-CE2 4.37Å; I339-F577 HydrophobicContact CG2-CZ 4.43Å; D343-F577 HydrophobicContact CB-CD2 3.97Å; D343-F577 HydrophobicContact CB-CE2 3.75Å; Y344-F577 HydrophobicContact CD2-CE2 4.28Å; Y344-F577 HydrophobicContact CD2-CZ 4.35Å; H347-F577 HydrophobicContact CB-CB 4.1Å; H347-F577 PolarHBondContact NE2-O 3.34Å; L560-F577 HydrophobicContact CB-CZ 4.47Å; L560-F577 HydrophobicContact CD1-CE1 4.02Å; L560-F577 HydrophobicContact CD1-CZ 3.9Å; L560-F577 HydrophobicContact CD2-CD1 3.65Å; L560-F577 HydrophobicContact CD2-CD2 4.14Å; L560-F577 HydrophobicContact CD2-CE1 3.49Å; L560-F577 VanDerWaalsContact CD2-CE1 3.49Å; L560-F577 HydrophobicContact CD2-CE2 4Å; L560-F577 HydrophobicContact CD2-CG 3.99Å; L560-F577 HydrophobicContact CD2-CZ 3.69Å; L560-F577 HydrophobicContact CG-CE1 4.34Å; L560-F577 HydrophobicContact CG-CZ 4.22Å
578	Y	96.3	Very high	74.5	Confident	111 Å²	111	74 Å²	74	44%	0.435	43%	0.429	S	S	.	.	B	Isolated β-bridge	trans	-119.2	149.9	168.9	64.8	-88	0	0	0	110.7	G189 S576 P580	G189-Y578 CarbonylContact O-C 3.59Å; G189-Y578 WeakPolarHBondContact O-CA 3.38Å; S576-Y578 VanDerWaalsContact C-N 3.26Å; S576-Y578 VanDerWaalsContact CB-O 3.24Å; S576-Y578 WeakPolarHBondContact CB-O 3.43Å; S576-Y578 WeakPolarHBondContact OG-CD1 3.39Å; S576-Y578 WeakPolarHBondContact OG-CE1 3.38Å; S576-Y578 PolarHBondContact OG-N 3.39Å; S576-Y578 VanDerWaalsContact OG-N 3.12Å; S576-Y578 PolarHBondContact OG-O 2.85Å; Y578-P580 VanDerWaalsContact O-CD 3.29Å; Y578-P580 WeakPolarHBondContact O-CD 3.4Å
579	V	96.3	Very high	71.5	Confident	38 Å²	38	79.2 Å²	79.2	23%	0.23	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-68.8	118	174.4	-179.5	0	0	0	0	108.7	G189 K424	G189-V579 PolarHBondContact O-N 2.98Å; K424-V579 WeakPolarHBondContact O-CG1 3.48Å
580	P	88.3	Confident	69.1	Low	25 Å²	25	80.4 Å²	80.4	16%	0.162	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-67.6	146.2	-180	-18.8	32.1	0	0	0	112.4	T423 V574 Y578	T423-P580 HydrophobicContact CG2-CG 4.16Å; V574-P580 HydrophobicContact CG1-CG 4.14Å; Y578-P580 VanDerWaalsContact O-CD 3.29Å; Y578-P580 WeakPolarHBondContact O-CD 3.4Å
581	D	76.8	Confident	66.2	Low	121 Å²	121	83.8 Å²	83.8	65%	0.647	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-68.8	137.8	172.1	-83.5	-33	0	0	0	110.9	K583 E584	D581-K583 PolarHBondContact O-N 2.91Å; D581-E584 PolarHBondContact O-N 3.4Å
582	I	56.5	Low	63.5	Low	156 Å²	156	83.6 Å²	83.6	80%	0.8	48%	0.475	S	S	*	.	H	α-helix	trans	-57.9	-18.5	-179.7	-60.7	169.1	0	0	0	112.7	T585	I582-T585 PolarHBondContact O-OG1 2.99Å
583	K	45	Very low	60.6	Low	198 Å²	198	85.3 Å²	85.3	86%	0.861	49%	0.488	S	S	*	.	H	α-helix	trans	-79.3	-22.4	174.9	-72.8	-176.5	178.7	178.8	0	113.7	D581	D581-K583 PolarHBondContact O-N 2.91Å
584	E	42.6	Very low	57.6	Low	92 Å²	92	91 Å²	91	43%	0.43	52%	0.522	S	S	.	.	H	α-helix	trans	-83.7	-27.5	177.6	-68.8	-169.2	154.1	0	0	112.2	D581 G586 S587 M588	D581-E584 PolarHBondContact O-N 3.4Å; E584-G586 VanDerWaalsContact C-N 3.29Å; E584-G586 PolarHBondContact O-N 2.9Å; E584-S587 PolarHBondContact O-N 2.88Å; E584-S587 VanDerWaalsContact O-N 3.13Å; E584-M588 PolarHBondContact O-N 2.9Å
585	T	41.2	Very low	54.4	Low	75 Å²	75	93.9 Å²	93.9	46%	0.46	55%	0.545	S	S	.	.	H	α-helix	trans	-68.5	-24.1	-179.9	48.4	0	0	0	0	113.7	I582 S587	I582-T585 PolarHBondContact O-OG1 2.99Å; T585-S587 PolarHBondContact O-N 3.42Å
586	G	31.6	Very low	51.1	Low	73 Å²	73	103.3 Å²	103.3	75%	0.753	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-12.4	172.8	0	0	0	0	0	114.8	E584	E584-G586 VanDerWaalsContact C-N 3.29Å; E584-G586 PolarHBondContact O-N 2.9Å
587	S	30.3	Very low	47.7	Very low	100 Å²	100	108.3 Å²	108.3	70%	0.699	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.7	-3.9	-177.7	-174.5	0	0	0	0	113.9	E584 T585	E584-S587 PolarHBondContact O-N 2.88Å; E584-S587 VanDerWaalsContact O-N 3.13Å; T585-S587 PolarHBondContact O-N 3.42Å
588	M	36.2	Very low	44.5	Very low	101 Å²	101	120.5 Å²	120.5	50%	0.498	67%	0.668	S	S	.	*			trans	-103.5	26.6	-175.2	-75.2	-165.7	166.3	0	0	114.4	E584 I590	E584-M588 PolarHBondContact O-N 2.9Å; M588-I590 PolarHBondContact O-N 3.29Å
589	T	31.1	Very low	41.2	Very low	124 Å²	124	118.7 Å²	118.7	76%	0.761	68%	0.683	S	S	*	*			trans	-74.3	77.9	151.4	-23.9	0	0	0	0	107.3	N591	T589-N591 PolarHBondContact O-N 2.98Å
590	I	34.8	Very low	38.2	Very low	136 Å²	136	122.4 Å²	122.4	70%	0.697	71%	0.711	S	S	*	*			trans	-71.4	96.8	177.3	-60.3	177.2	0	0	0	107.3	M588 S592	M588-I590 PolarHBondContact O-N 3.29Å; I590-S592 PolarHBondContact O-N 3.21Å; I590-S592 VanDerWaalsContact O-N 3.08Å
591	N	25.9	Very low	35.3	Very low	134 Å²	134	128.4 Å²	128.4	72%	0.717	74%	0.742	S	S	*	*			trans	-59.6	107.8	157.5	-84.1	-20.4	0	0	0	107.3	T589 S593	T589-N591 PolarHBondContact O-N 2.98Å; N591-S593 PolarHBondContact O-N 3.09Å
592	S	30.6	Very low	33.1	Very low	122 Å²	122	128.7 Å²	128.7	85%	0.853	75%	0.75	S	S	*	*			trans	-68.6	73.9	167	49.8	0	0	0	0	110	I590	I590-S592 PolarHBondContact O-N 3.21Å; I590-S592 VanDerWaalsContact O-N 3.08Å
593	S	31.4	Very low	31.7	Very low	94 Å²	94	128 Å²	128	66%	0.657	75%	0.748	S	S	*	*			trans	-141.3	96.9	166.5	48	0	0	0	0	109	N591	N591-S593 PolarHBondContact O-N 3.09Å
594	T	29.4	Very low	31.4	Very low	137 Å²	137	124.3 Å²	124.3	84%	0.84	74%	0.744	S	S	*	*			trans	-111.3	106.4	164.5	24	0	0	0	0	109.4
595	S	26.1	Very low	31.1	Very low	109 Å²	109	125.4 Å²	125.4	76%	0.762	76%	0.757	S	S	*	*			trans	11.5	113.3	147.7	56.6	0	0	0	0	118.2	S597	S595-S597 PolarHBondContact O-N 2.81Å
596	Q	27.1	Very low	30.7	Very low	205 Å²	205	128.2 Å²	128.2	96%	0.958	77%	0.774	S	S	*	*			trans	-60.9	123.8	159	-71.4	175.1	-17.5	0	0	110.6
597	S	27.1	Very low	30.7	Very low	116 Å²	116	132.5 Å²	132.5	81%	0.811	78%	0.778	S	S	*	*			trans	-118.4	133.4	152.9	63.4	0	0	0	0	108.1	S595 G599	S595-S597 PolarHBondContact O-N 2.81Å; S597-G599 PolarHBondContact O-N 3.25Å
598	R	30.6	Very low	31	Very low	263 Å²	263	136.4 Å²	136.4	99%	0.992	79%	0.79	S	S	*	*			trans	-60.4	123.6	-170	-75.6	172.7	169.3	174.1	-4.3	112
599	G	26.6	Very low	30.8	Very low	74 Å²	74	141 Å²	141	76%	0.763	81%	0.808	S	S	*	*			trans	-172.6	114.3	164.9	0	0	0	0	0	109.3	S597 N601	S597-G599 PolarHBondContact O-N 3.25Å; G599-N601 PolarHBondContact O-N 3.32Å
600	S	32.6	Very low	30.8	Very low	115 Å²	115	144 Å²	144	80%	0.804	81%	0.813	S	S	*	*			trans	-65.8	117.2	-173.3	46.2	0	0	0	0	113.7
601	N	27.7	Very low	30.5	Very low	151 Å²	151	148.8 Å²	148.8	81%	0.807	82%	0.822	S	S	*	*	S	Bend	trans	-175.1	147.6	145.8	-92.3	-22.4	0	0	0	109.5	G599	G599-N601 PolarHBondContact O-N 3.32Å
602	P	30.8	Very low	30.6	Very low	128 Å²	128	148.4 Å²	148.4	83%	0.831	83%	0.825	S	S	*	*			trans	-74.6	130.9	-162.4	29.9	-33.8	0	0	0	112.4
603	N	26.8	Very low	30.6	Very low	140 Å²	140	147.8 Å²	147.8	75%	0.749	82%	0.821	S	S	*	*			trans	-107	119.9	-178.1	-160.5	12.5	0	0	0	109	T605	N603-T605 PolarHBondContact O-N 3.27Å; N603-T605 VanDerWaalsContact O-N 3.16Å
604	P	38.5	Very low	30.6	Very low	121 Å²	121	152 Å²	152	79%	0.786	83%	0.83	S	S	*	*	S	Bend	trans	-88	77.2	-178.8	33.8	-30.9	0	0	0	109.9
605	T	36.9	Very low	30.7	Very low	115 Å²	115	157.3 Å²	157.3	71%	0.706	85%	0.852	S	S	*	*			trans	-154.5	26.2	171.5	-25.5	0	0	0	0	114.5	N603	N603-T605 PolarHBondContact O-N 3.27Å; N603-T605 VanDerWaalsContact O-N 3.16Å
606	V	33.8	Very low	31	Very low	134 Å²	134	159.8 Å²	159.8	81%	0.812	86%	0.856	S	S	*	*			trans	-147.4	109.3	168.5	-174	0	0	0	0	107.6
607	I	31.6	Very low	31.2	Very low	164 Å²	164	157.4 Å²	157.4	84%	0.841	85%	0.851	S	S	*	*			trans	173.2	85.7	143.4	-79.1	145.7	0	0	0	104.9
608	L	35.1	Very low	31.4	Very low	181 Å²	181	159.7 Å²	159.7	95%	0.948	85%	0.853	S	S	*	*			trans	-152.7	63.5	155.2	-97.7	174.9	0	0	0	106.8
609	K	32.7	Very low	31.4	Very low	199 Å²	199	153.6 Å²	153.6	87%	0.865	85%	0.845	S	S	*	*	S	Bend	trans	-155.5	102.4	158.3	-114.5	-176.9	-178.3	-178.4	0	107
610	E	30.6	Very low	31.7	Very low	186 Å²	186	158.6 Å²	158.6	87%	0.869	85%	0.85	S	S	*	*			trans	136.7	135.5	153.9	-77.9	-179.1	172.5	0	0	112.4
611	R	29.1	Very low	31.7	Very low	236 Å²	236	161.5 Å²	161.5	89%	0.891	85%	0.853	S	S	*	*			trans	89.1	118.6	-179.6	-59.8	-178.5	175.5	-171.3	-2.8	113.7
612	T	27.6	Very low	32	Very low	126 Å²	126	162.2 Å²	162.2	77%	0.773	86%	0.857	S	S	*	*			cis	-163.6	128.2	22.1	19.4	0	0	0	0	109.9
613	S	31	Very low	32.1	Very low	110 Å²	110	164.8 Å²	164.8	77%	0.769	86%	0.859	S	S	*	*			trans	-66.6	153.5	138.3	35.7	0	0	0	0	109
614	E	31.6	Very low	32.5	Very low	183 Å²	183	166.9 Å²	166.9	86%	0.855	87%	0.868	S	S	*	*			trans	92.4	78.6	-178.6	-54.9	-177.7	178	0	0	116
615	L	31.6	Very low	32	Very low	248 Å²	248	171.1 Å²	171.1	100%	1.298	88%	0.875	S	S	*	*				178.3	0	99.7	-105.9	160.4	0	0	0	110.1

Retrieved 615 of 615 residues in 207 ms (Link to these results)

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