A0A077YXG7_TRITR Loading...

Dopamine receptor ddr dopamine receptor like

AlphaFold DB , UniProt , Accession A0A077YXG7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 587 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.5	Very low	53.1	Low	241 Å²	241	132.6 Å²	132.6	100%	1.187	74%	0.735	S	S	*	*				0	104.2	0	-71.2	175.6	177	0	0	107.6
2	T	44.8	Very low	54.1	Low	123 Å²	123	128.3 Å²	128.3	76%	0.755	72%	0.715	S	S	*	*			trans	-76.1	125.7	170.7	39	0	0	0	0	108.6	T4	T2-T4 VanDerWaalsContact C-N 3.33Å; T2-T4 PolarHBondContact O-N 2.97Å
3	P	56.7	Low	55.2	Low	133 Å²	133	126.1 Å²	126.1	86%	0.864	70%	0.701	S	S	*	*			trans	-78	88.6	175.1	30.5	-29.7	0	0	0	108.5
4	T	49.7	Very low	56.3	Low	111 Å²	111	123.4 Å²	123.4	68%	0.681	69%	0.685	S	S	*	*			trans	-85.1	140	158.8	43.8	0	0	0	0	108.5	T2	T2-T4 VanDerWaalsContact C-N 3.33Å; T2-T4 PolarHBondContact O-N 2.97Å
5	T	53.8	Low	57.2	Low	133 Å²	133	119.9 Å²	119.9	82%	0.816	67%	0.672	S	S	*	*			trans	89.3	83	172	77.7	0	0	0	0	118.1
6	S	57.5	Low	57.8	Low	91 Å²	91	122.5 Å²	122.5	64%	0.636	67%	0.67	S	S	*	*			trans	-125.7	-7.3	144.5	71	0	0	0	0	114	A8 A9	S6-A8 VanDerWaalsContact C-N 3.27Å; S6-A8 PolarHBondContact O-N 3.17Å; S6-A9 PolarHBondContact O-N 3.39Å
7	Y	53.5	Low	58.6	Low	192 Å²	192	121.3 Å²	121.3	75%	0.753	66%	0.658	S	S	*	*	H	α-helix	trans	-60	-33.7	180	-73.8	-79.3	0	0	0	113.4	A9 N10	Y7-A9 PolarHBondContact O-N 3.22Å; Y7-N10 PolarHBondContact O-N 3.44Å
8	A	55.4	Low	59.5	Low	72 Å²	72	119.9 Å²	119.9	60%	0.595	65%	0.649	S	S	*	*	H	α-helix	trans	-64.6	-34.4	-177.5	0	0	0	0	0	114.1	S6 N10 W11 T12	S6-A8 VanDerWaalsContact C-N 3.27Å; S6-A8 PolarHBondContact O-N 3.17Å; A8-N10 PolarHBondContact O-N 3.41Å; A8-W11 PolarHBondContact O-N 3.38Å; A8-T12 PolarHBondContact O-N 3.2Å
9	A	56.9	Low	60.2	Low	57 Å²	57	115.9 Å²	115.9	47%	0.471	63%	0.634	S	S	.	*	H	α-helix	trans	-71.5	-29	-177.1	0	0	0	0	0	113.2	S6 Y7 T12 N13	S6-A9 PolarHBondContact O-N 3.39Å; Y7-A9 PolarHBondContact O-N 3.22Å; A9-T12 PolarHBondContact O-OG1 3.4Å; A9-N13 PolarHBondContact O-N 3.49Å
10	N	57.3	Low	60.8	Low	109 Å²	109	115.1 Å²	115.1	58%	0.583	63%	0.625	S	S	*	*	H	α-helix	trans	-74.4	-33.9	176.1	-85.6	-0.8	0	0	0	112.4	Y7 A8 N14	Y7-N10 PolarHBondContact O-N 3.44Å; A8-N10 PolarHBondContact O-N 3.41Å; N10-N14 WeakPolarHBondContact O-CB 3.39Å; N10-N14 PolarHBondContact O-N 2.94Å
11	W	53.6	Low	61.6	Low	197 Å²	197	115.5 Å²	115.5	75%	0.746	62%	0.621	S	S	*	*	H	α-helix	trans	-64.9	-42	176.1	-76.3	102.6	0	0	0	111.5	A8 S15	A8-W11 PolarHBondContact O-N 3.38Å; W11-S15 VanDerWaalsContact O-CB 3.25Å; W11-S15 WeakPolarHBondContact O-CB 3.48Å; W11-S15 PolarHBondContact O-N 3.44Å; W11-S15 PolarHBondContact O-OG 3.13Å; W11-S15 VanDerWaalsContact O-OG 3.07Å
12	T	65.2	Low	63.2	Low	81 Å²	81	108.6 Å²	108.6	50%	0.497	59%	0.589	S	S	.	*	H	α-helix	trans	-63.8	-45.8	178.2	52.2	0	0	0	0	111.6	A8 A9 S15 Y16	A8-T12 PolarHBondContact O-N 3.2Å; A9-T12 PolarHBondContact O-OG1 3.4Å; T12-S15 WeakPolarHBondContact CA-OG 3.31Å; T12-S15 PolarHBondContact O-N 3.14Å; T12-S15 PolarHBondContact O-OG 3.15Å; T12-Y16 WeakPolarHBondContact O-CB 3.12Å; T12-Y16 PolarHBondContact O-N 3.18Å
13	N	68.5	Low	64.8	Low	99 Å²	99	107.6 Å²	107.6	53%	0.529	58%	0.579	S	S	.	*	H	α-helix	trans	-64.3	-46.5	179.5	-74.2	1.2	0	0	0	112.4	A9 S15 Y16 E17	A9-N13 PolarHBondContact O-N 3.49Å; N13-S15 VanDerWaalsContact C-N 3.34Å; N13-S15 PolarHBondContact O-N 3.24Å; N13-Y16 PolarHBondContact O-N 3.45Å; N13-E17 PolarHBondContact O-N 2.8Å
14	N	69.5	Low	65.9	Low	89 Å²	89	104.4 Å²	104.4	48%	0.476	56%	0.557	S	S	.	*	H	α-helix	trans	-63.5	-41.1	177.6	-73.8	-9.8	0	0	0	111.7	N10 Y16 E17 I18	N10-N14 WeakPolarHBondContact O-CB 3.39Å; N10-N14 PolarHBondContact O-N 2.94Å; N14-Y16 VanDerWaalsContact C-N 3.34Å; N14-Y16 PolarHBondContact O-N 2.87Å; N14-E17 PolarHBondContact O-N 3.49Å; N14-I18 WeakPolarHBondContact O-CB 3.32Å; N14-I18 WeakPolarHBondContact O-CD1 3.3Å; N14-I18 WeakPolarHBondContact O-CG1 3.03Å; N14-I18 PolarHBondContact O-N 3.3Å
15	S	69.8	Low	67.3	Low	70 Å²	70	102 Å²	102	49%	0.49	55%	0.548	S	S	.	.	H	α-helix	trans	-64.7	-38.5	177.3	69.3	0	0	0	0	112.2	W11 T12 N13 A19	W11-S15 VanDerWaalsContact O-CB 3.25Å; W11-S15 WeakPolarHBondContact O-CB 3.48Å; W11-S15 PolarHBondContact O-N 3.44Å; W11-S15 PolarHBondContact O-OG 3.13Å; W11-S15 VanDerWaalsContact O-OG 3.07Å; T12-S15 WeakPolarHBondContact CA-OG 3.31Å; T12-S15 PolarHBondContact O-N 3.14Å; T12-S15 PolarHBondContact O-OG 3.15Å; N13-S15 VanDerWaalsContact C-N 3.34Å; N13-S15 PolarHBondContact O-N 3.24Å; S15-A19 WeakPolarHBondContact O-CB 3.24Å; S15-A19 PolarHBondContact O-N 2.86Å
16	Y	66.7	Low	68.5	Low	162 Å²	162	100.4 Å²	100.4	64%	0.635	53%	0.534	S	S	*	.	H	α-helix	trans	-67.4	-44.7	175.4	-179.5	-94.4	0	0	0	111.8	T12 N13 N14 A19 H20	T12-Y16 WeakPolarHBondContact O-CB 3.12Å; T12-Y16 PolarHBondContact O-N 3.18Å; N13-Y16 PolarHBondContact O-N 3.45Å; N14-Y16 VanDerWaalsContact C-N 3.34Å; N14-Y16 PolarHBondContact O-N 2.87Å; Y16-A19 PolarHBondContact O-N 3.36Å; Y16-H20 VanDerWaalsContact O-CB 3.26Å; Y16-H20 WeakPolarHBondContact O-CB 3.33Å; Y16-H20 PolarHBondContact O-N 2.85Å
17	E	71.7	Confident	69.6	Low	102 Å²	102	98.2 Å²	98.2	48%	0.477	52%	0.519	S	S	.	.	H	α-helix	trans	-64.1	-41.1	176.2	-76.6	-171.5	-166.3	0	0	112.5	N13 N14 K21	N13-E17 PolarHBondContact O-N 2.8Å; N14-E17 PolarHBondContact O-N 3.49Å; E17-K21 VanDerWaalsContact O-CB 3.24Å; E17-K21 WeakPolarHBondContact O-CB 3.35Å; E17-K21 WeakPolarHBondContact O-CG 3.42Å; E17-K21 PolarHBondContact O-N 2.89Å; E17-K21 IonicContact OE2-NZ 3.77Å
18	I	75.1	Confident	70.8	Confident	97 Å²	97	90.2 Å²	90.2	50%	0.497	49%	0.493	S	S	.	.	H	α-helix	trans	-66.3	-44.2	176.1	-69.1	162.6	0	0	0	109.9	N14 K21 N22	N14-I18 WeakPolarHBondContact O-CB 3.32Å; N14-I18 WeakPolarHBondContact O-CD1 3.3Å; N14-I18 WeakPolarHBondContact O-CG1 3.03Å; N14-I18 PolarHBondContact O-N 3.3Å; I18-K21 PolarHBondContact O-N 3.13Å; I18-N22 VanDerWaalsContact O-CB 3.28Å; I18-N22 WeakPolarHBondContact O-CB 3.35Å; I18-N22 PolarHBondContact O-N 3.25Å; I18-N22 PolarHBondContact O-ND2 3.22Å
19	A	72.3	Confident	72	Confident	43 Å²	43	88.4 Å²	88.4	36%	0.355	48%	0.478	S	S	.	.	H	α-helix	trans	-61	-49.6	176.2	0	0	0	0	0	111.1	S15 Y16 K21 N22 D23	S15-A19 WeakPolarHBondContact O-CB 3.24Å; S15-A19 PolarHBondContact O-N 2.86Å; Y16-A19 PolarHBondContact O-N 3.36Å; A19-K21 VanDerWaalsContact C-N 3.35Å; A19-K21 PolarHBondContact O-N 3.24Å; A19-N22 CarbonylContact O-C 3.54Å; A19-N22 WeakPolarHBondContact O-CB 3.49Å; A19-N22 PolarHBondContact O-N 3.49Å; A19-N22 VanDerWaalsContact O-N 3.08Å; A19-D23 WeakPolarHBondContact O-CB 3.15Å; A19-D23 VanDerWaalsContact O-CG 3.24Å; A19-D23 PolarHBondContact O-N 3.26Å
20	H	73.1	Confident	73.1	Confident	99 Å²	99	90.9 Å²	90.9	46%	0.458	48%	0.479	S	S	.	.	H	α-helix	trans	-63.1	-37.9	177.5	-172.4	-79.9	0	0	0	112.5	Y16 T24	Y16-H20 VanDerWaalsContact O-CB 3.26Å; Y16-H20 WeakPolarHBondContact O-CB 3.33Å; Y16-H20 PolarHBondContact O-N 2.85Å; H20-T24 WeakPolarHBondContact O-CB 3.34Å; H20-T24 VanDerWaalsContact O-CG2 3.27Å; H20-T24 WeakPolarHBondContact O-CG2 3.47Å; H20-T24 PolarHBondContact O-N 2.89Å; H20-T24 PolarHBondContact O-OG1 2.95Å
21	K	77.2	Confident	74.3	Confident	124 Å²	124	90 Å²	90	54%	0.539	47%	0.472	S	S	.	.	H	α-helix	trans	-65.5	-40	172.1	-78.4	170.3	-178.3	162	0	111.6	E17 I18 A19 T24 A25	E17-K21 VanDerWaalsContact O-CB 3.24Å; E17-K21 WeakPolarHBondContact O-CB 3.35Å; E17-K21 WeakPolarHBondContact O-CG 3.42Å; E17-K21 PolarHBondContact O-N 2.89Å; E17-K21 IonicContact OE2-NZ 3.77Å; I18-K21 PolarHBondContact O-N 3.13Å; A19-K21 VanDerWaalsContact C-N 3.35Å; A19-K21 PolarHBondContact O-N 3.24Å; K21-T24 WeakPolarHBondContact CA-OG1 3.36Å; K21-T24 PolarHBondContact O-OG1 2.91Å; K21-A25 WeakPolarHBondContact O-CB 3.33Å; K21-A25 PolarHBondContact O-N 2.93Å
22	N	80.3	Confident	75.8	Confident	97 Å²	97	85.8 Å²	85.8	52%	0.519	46%	0.456	S	S	.	.	H	α-helix	trans	-69	-40.1	177.2	-72.3	-15.4	0	0	0	111.5	I18 A19 A25 L26	I18-N22 VanDerWaalsContact O-CB 3.28Å; I18-N22 WeakPolarHBondContact O-CB 3.35Å; I18-N22 PolarHBondContact O-N 3.25Å; I18-N22 PolarHBondContact O-ND2 3.22Å; A19-N22 CarbonylContact O-C 3.54Å; A19-N22 WeakPolarHBondContact O-CB 3.49Å; A19-N22 PolarHBondContact O-N 3.49Å; A19-N22 VanDerWaalsContact O-N 3.08Å; N22-A25 PolarHBondContact O-N 2.63Å; N22-L26 WeakPolarHBondContact O-CB 3.29Å; N22-L26 PolarHBondContact O-N 2.81Å
23	D	78.2	Confident	76.8	Confident	102 Å²	102	88.6 Å²	88.6	55%	0.545	46%	0.461	S	S	.	.	H	α-helix	trans	-68.1	-40.9	177.3	-68.8	-21.3	0	0	0	111.1	A19 S27	A19-D23 WeakPolarHBondContact O-CB 3.15Å; A19-D23 VanDerWaalsContact O-CG 3.24Å; A19-D23 PolarHBondContact O-N 3.26Å; D23-S27 VanDerWaalsContact O-CB 3.3Å; D23-S27 WeakPolarHBondContact O-CB 3.42Å; D23-S27 PolarHBondContact O-N 3.38Å; D23-S27 PolarHBondContact O-OG 3.42Å
24	T	78.9	Confident	77.6	Confident	66 Å²	66	87.3 Å²	87.3	41%	0.405	46%	0.46	S	S	.	.	H	α-helix	trans	-68	-37.8	173.1	51.7	0	0	0	0	111.9	H20 K21 S27 A28	H20-T24 WeakPolarHBondContact O-CB 3.34Å; H20-T24 VanDerWaalsContact O-CG2 3.27Å; H20-T24 WeakPolarHBondContact O-CG2 3.47Å; H20-T24 PolarHBondContact O-N 2.89Å; H20-T24 PolarHBondContact O-OG1 2.95Å; K21-T24 WeakPolarHBondContact CA-OG1 3.36Å; K21-T24 PolarHBondContact O-OG1 2.91Å; T24-S27 WeakPolarHBondContact CA-OG 3.25Å; T24-S27 PolarHBondContact O-OG 3.23Å; T24-A28 WeakPolarHBondContact O-CB 3.32Å; T24-A28 PolarHBondContact O-N 3.47Å
25	A	78.4	Confident	78.6	Confident	59 Å²	59	83.2 Å²	83.2	49%	0.488	44%	0.439	S	S	.	.	H	α-helix	trans	-68.3	-40.7	174.5	0	0	0	0	0	112.5	K21 N22 A28 A29	K21-A25 WeakPolarHBondContact O-CB 3.33Å; K21-A25 PolarHBondContact O-N 2.93Å; N22-A25 PolarHBondContact O-N 2.63Å; A25-A28 PolarHBondContact O-N 3.13Å; A25-A29 WeakPolarHBondContact O-CB 3.04Å; A25-A29 PolarHBondContact O-N 3.17Å
26	L	80.2	Confident	79.5	Confident	100 Å²	100	83.7 Å²	83.7	52%	0.524	44%	0.435	S	S	.	.	H	α-helix	trans	-66.4	-50.1	177.9	-177.3	67.2	0	0	0	110.3	N22 A28 A29 E30	N22-L26 WeakPolarHBondContact O-CB 3.29Å; N22-L26 PolarHBondContact O-N 2.81Å; L26-A28 VanDerWaalsContact C-N 3.34Å; L26-A28 PolarHBondContact O-N 3.03Å; L26-A29 WeakPolarHBondContact O-CB 3.35Å; L26-A29 PolarHBondContact O-N 2.79Å; L26-A29 VanDerWaalsContact O-N 3.1Å; L26-E30 WeakPolarHBondContact O-CG 3.39Å; L26-E30 PolarHBondContact O-N 2.7Å
27	S	79.7	Confident	80.8	Confident	45 Å²	45	81.8 Å²	81.8	32%	0.315	44%	0.435	S	S	.	.	H	α-helix	trans	-59.9	-43.6	175.4	55.9	0	0	0	0	111.2	D23 T24 A29 E30 H31	D23-S27 VanDerWaalsContact O-CB 3.3Å; D23-S27 WeakPolarHBondContact O-CB 3.42Å; D23-S27 PolarHBondContact O-N 3.38Å; D23-S27 PolarHBondContact O-OG 3.42Å; T24-S27 WeakPolarHBondContact CA-OG 3.25Å; T24-S27 PolarHBondContact O-OG 3.23Å; S27-A29 VanDerWaalsContact C-N 3.31Å; S27-A29 PolarHBondContact O-N 2.81Å; S27-E30 PolarHBondContact O-N 3.11Å; S27-H31 PolarHBondContact O-N 2.81Å; S27-H31 PolarHBondContact O-ND1 3.13Å
28	A	79.2	Confident	81.8	Confident	25 Å²	25	78.1 Å²	78.1	21%	0.207	42%	0.418	C	S	.	.	H	α-helix	trans	-60.5	-39.5	174.1	0	0	0	0	0	112.5	T24 A25 L26 H31 R32	T24-A28 WeakPolarHBondContact O-CB 3.32Å; T24-A28 PolarHBondContact O-N 3.47Å; A25-A28 PolarHBondContact O-N 3.13Å; L26-A28 VanDerWaalsContact C-N 3.34Å; L26-A28 PolarHBondContact O-N 3.03Å; A28-H31 PolarHBondContact O-N 3.24Å; A28-R32 VanDerWaalsContact O-CG 3.32Å; A28-R32 WeakPolarHBondContact O-CG 3.39Å; A28-R32 PolarHBondContact O-N 3.03Å
29	A	79.5	Confident	82.8	Confident	33 Å²	33	76.8 Å²	76.8	27%	0.273	41%	0.412	S	S	.	.	H	α-helix	trans	-64.8	-45.4	175.4	0	0	0	0	0	111.7	A25 L26 S27 H31 R32 F33	A25-A29 WeakPolarHBondContact O-CB 3.04Å; A25-A29 PolarHBondContact O-N 3.17Å; L26-A29 WeakPolarHBondContact O-CB 3.35Å; L26-A29 PolarHBondContact O-N 2.79Å; L26-A29 VanDerWaalsContact O-N 3.1Å; S27-A29 VanDerWaalsContact C-N 3.31Å; S27-A29 PolarHBondContact O-N 2.81Å; A29-H31 VanDerWaalsContact C-N 3.32Å; A29-H31 PolarHBondContact O-N 3.47Å; A29-R32 WeakPolarHBondContact O-CB 2.92Å; A29-R32 PolarHBondContact O-N 3.35Å; A29-R32 VanDerWaalsContact O-N 3.16Å; A29-F33 HydrophobicContact CB-CE2 4.28Å; A29-F33 WeakPolarHBondContact O-CD2 2.93Å; A29-F33 PolarHBondContact O-N 2.74Å
30	E	81.1	Confident	83.9	Confident	109 Å²	109	77.4 Å²	77.4	51%	0.509	41%	0.414	S	S	.	.	H	α-helix	trans	-59.3	-41.1	176.2	-71.8	176.6	166.4	0	0	112.4	L26 S27 F33 S34	L26-E30 WeakPolarHBondContact O-CG 3.39Å; L26-E30 PolarHBondContact O-N 2.7Å; S27-E30 PolarHBondContact O-N 3.11Å; E30-F33 PolarHBondContact O-N 3.49Å; E30-S34 WeakPolarHBondContact O-CB 3.49Å; E30-S34 PolarHBondContact O-N 3.48Å; E30-S34 PolarHBondContact O-OG 2.8Å
31	H	81.9	Confident	84.9	Confident	92 Å²	92	73.5 Å²	73.5	43%	0.426	40%	0.396	S	S	.	.	H	α-helix	trans	-62.8	-44.2	174.4	-76.2	77.9	0	0	0	111.4	S27 A28 A29 S34 A35	S27-H31 PolarHBondContact O-N 2.81Å; S27-H31 PolarHBondContact O-ND1 3.13Å; A28-H31 PolarHBondContact O-N 3.24Å; A29-H31 VanDerWaalsContact C-N 3.32Å; A29-H31 PolarHBondContact O-N 3.47Å; H31-S34 WeakPolarHBondContact O-CB 3.26Å; H31-S34 PolarHBondContact O-N 3.17Å; H31-A35 PolarHBondContact O-N 2.69Å
32	R	85.6	Confident	85.9	Confident	108 Å²	108	68 Å²	68	41%	0.408	37%	0.372	S	S	.	.	H	α-helix	trans	-62.8	-43.2	176.5	-73.3	173.2	-176.2	-177.9	1.7	112.3	A28 A29 S34 A35 L36 F93	A28-R32 VanDerWaalsContact O-CG 3.32Å; A28-R32 WeakPolarHBondContact O-CG 3.39Å; A28-R32 PolarHBondContact O-N 3.03Å; A29-R32 WeakPolarHBondContact O-CB 2.92Å; A29-R32 PolarHBondContact O-N 3.35Å; A29-R32 VanDerWaalsContact O-N 3.16Å; R32-S34 VanDerWaalsContact C-N 3.33Å; R32-S34 PolarHBondContact O-N 3.27Å; R32-A35 WeakPolarHBondContact O-CB 3.27Å; R32-A35 PolarHBondContact O-N 2.71Å; R32-L36 WeakPolarHBondContact O-CG 3.28Å; R32-L36 PolarHBondContact O-N 3.39Å; R32-L36 VanDerWaalsContact O-N 3.08Å; R32-F93 HydrophobicContact CB-CD2 3.96Å; R32-F93 HydrophobicContact CB-CE2 3.79Å; R32-F93 HydrophobicContact CG-CD2 4.03Å; R32-F93 HydrophobicContact CG-CE2 3.93Å; R32-F93 HydrophobicContact CG-CZ 4.33Å
33	F	86.5	Confident	86.7	Confident	140 Å²	140	68.7 Å²	68.7	61%	0.614	38%	0.376	S	S	*	.	H	α-helix	trans	-62.6	-41.5	175.1	-73.7	-63	0	0	0	111.7	A29 E30 A35 L36 I37	A29-F33 HydrophobicContact CB-CE2 4.28Å; A29-F33 WeakPolarHBondContact O-CD2 2.93Å; A29-F33 PolarHBondContact O-N 2.74Å; E30-F33 PolarHBondContact O-N 3.49Å; F33-A35 VanDerWaalsContact C-N 3.32Å; F33-A35 PolarHBondContact O-N 2.83Å; F33-L36 PolarHBondContact O-N 3.34Å; F33-I37 PolarHBondContact O-N 2.63Å
34	S	85.8	Confident	87.6	Confident	72 Å²	72	68.4 Å²	68.4	50%	0.503	37%	0.374	S	S	.	.	H	α-helix	trans	-62.1	-40	175.6	-58.5	0	0	0	0	111.8	E30 H31 R32 L36 I37	E30-S34 WeakPolarHBondContact O-CB 3.49Å; E30-S34 PolarHBondContact O-N 3.48Å; E30-S34 PolarHBondContact O-OG 2.8Å; H31-S34 WeakPolarHBondContact O-CB 3.26Å; H31-S34 PolarHBondContact O-N 3.17Å; R32-S34 VanDerWaalsContact C-N 3.33Å; R32-S34 PolarHBondContact O-N 3.27Å; S34-L36 VanDerWaalsContact C-N 3.33Å; S34-L36 PolarHBondContact O-N 2.85Å; S34-I37 WeakPolarHBondContact O-CB 3.45Å; S34-I37 PolarHBondContact O-N 3.42Å
35	A	89.1	Confident	88.5	Confident	3 Å²	3	65.2 Å²	65.2	3%	0.025	35%	0.354	C	S	.	.	H	α-helix	trans	-62.7	-37.5	174.4	0	0	0	0	0	112.4	H31 R32 F33 I37 L38 E92 F93	H31-A35 PolarHBondContact O-N 2.69Å; R32-A35 WeakPolarHBondContact O-CB 3.27Å; R32-A35 PolarHBondContact O-N 2.71Å; F33-A35 VanDerWaalsContact C-N 3.32Å; F33-A35 PolarHBondContact O-N 2.83Å; A35-I37 VanDerWaalsContact C-N 3.29Å; A35-I37 PolarHBondContact O-N 3.42Å; A35-L38 VanDerWaalsContact O-CB 3.24Å; A35-L38 WeakPolarHBondContact O-CB 3.47Å; A35-L38 PolarHBondContact O-N 3.08Å; A35-E92 HydrophobicContact CB-CB 3.85Å; A35-F93 HydrophobicContact CB-CB 4.09Å
36	L	89.7	Confident	89.4	Confident	80 Å²	80	64.6 Å²	64.6	42%	0.419	34%	0.342	S	S	.	.	H	α-helix	trans	-66.5	-29.6	176.8	-67.4	176.1	0	0	0	113	R32 F33 S34 L38 L39 F93	R32-L36 WeakPolarHBondContact O-CG 3.28Å; R32-L36 PolarHBondContact O-N 3.39Å; R32-L36 VanDerWaalsContact O-N 3.08Å; F33-L36 PolarHBondContact O-N 3.34Å; S34-L36 VanDerWaalsContact C-N 3.33Å; S34-L36 PolarHBondContact O-N 2.85Å; L36-L38 PolarHBondContact O-N 2.74Å; L36-L39 HydrophobicContact CD2-CD1 3.82Å; L36-L39 VanDerWaalsContact O-CB 3.29Å; L36-L39 WeakPolarHBondContact O-CB 3.16Å; L36-L39 PolarHBondContact O-N 2.81Å; L36-L39 VanDerWaalsContact O-N 3.13Å; L36-F93 HydrophobicContact CD2-CD2 4.32Å; L36-F93 HydrophobicContact CD2-CE2 4.43Å; L36-F93 HydrophobicContact CG-CD2 4.42Å; L36-F93 HydrophobicContact CG-CE2 4.48Å
37	I	92.6	Very high	90.2	Very high	122 Å²	122	65.5 Å²	65.5	63%	0.626	34%	0.342	S	S	*	.	H	α-helix	trans	-62.1	-32.1	173.1	-64.1	170.7	0	0	0	110.5	F33 S34 A35 L39 S40	F33-I37 PolarHBondContact O-N 2.63Å; S34-I37 WeakPolarHBondContact O-CB 3.45Å; S34-I37 PolarHBondContact O-N 3.42Å; A35-I37 VanDerWaalsContact C-N 3.29Å; A35-I37 PolarHBondContact O-N 3.42Å; I37-L39 PolarHBondContact O-N 3.13Å; I37-S40 VanDerWaalsContact O-CB 3.3Å; I37-S40 WeakPolarHBondContact O-CB 3.37Å; I37-S40 PolarHBondContact O-N 2.84Å; I37-S40 PolarHBondContact O-OG 2.84Å
38	L	94.3	Very high	91	Very high	25 Å²	25	63.7 Å²	63.7	13%	0.131	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-20.3	178	-58.8	167.4	0	0	0	112.7	A35 L36 S40 I41 P42 V89 E92 F541 W545	A35-L38 VanDerWaalsContact O-CB 3.24Å; A35-L38 WeakPolarHBondContact O-CB 3.47Å; A35-L38 PolarHBondContact O-N 3.08Å; L36-L38 PolarHBondContact O-N 2.74Å; L38-S40 PolarHBondContact O-N 3.34Å; L38-I41 HydrophobicContact CB-CD1 4.5Å; L38-I41 HydrophobicContact CD2-CD1 3.98Å; L38-I41 WeakPolarHBondContact O-CB 3.08Å; L38-I41 PolarHBondContact O-N 3.14Å; L38-I41 VanDerWaalsContact O-N 3.14Å; L38-P42 WeakPolarHBondContact O-CD 3.46Å; L38-V89 HydrophobicContact CB-CG2 4.1Å; L38-E92 HydrophobicContact CD1-CB 4.21Å; L38-E92 HydrophobicContact CD1-CG 4Å; L38-F541 HydrophobicContact CD1-CE2 4.28Å; L38-F541 HydrophobicContact CD1-CZ 4.37Å; L38-W545 HydrophobicContact CB-CH2 3.64Å; L38-W545 HydrophobicContact CB-CZ2 3.88Å; L38-W545 HydrophobicContact CB-CZ3 4.08Å; L38-W545 HydrophobicContact CD1-CH2 4.2Å; L38-W545 HydrophobicContact CD1-CZ2 3.53Å; L38-W545 HydrophobicContact CD2-CD2 4Å; L38-W545 HydrophobicContact CD2-CE3 4.21Å; L38-W545 HydrophobicContact CD2-CH2 4.42Å; L38-W545 HydrophobicContact CD2-CZ2 4.24Å; L38-W545 HydrophobicContact CD2-CZ3 4.4Å; L38-W545 HydrophobicContact CG-CH2 4.29Å; L38-W545 HydrophobicContact CG-CZ2 4.08Å
39	L	95.2	Very high	91.9	Very high	68 Å²	68	62.5 Å²	62.5	36%	0.356	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-22.7	172.1	-70.8	169.4	0	0	0	113.2	L36 I37 I41 P42 L43 V89	L36-L39 HydrophobicContact CD2-CD1 3.82Å; L36-L39 VanDerWaalsContact O-CB 3.29Å; L36-L39 WeakPolarHBondContact O-CB 3.16Å; L36-L39 PolarHBondContact O-N 2.81Å; L36-L39 VanDerWaalsContact O-N 3.13Å; I37-L39 PolarHBondContact O-N 3.13Å; L39-I41 PolarHBondContact O-N 3.42Å; L39-P42 VanDerWaalsContact O-CD 3.26Å; L39-P42 WeakPolarHBondContact O-CD 3.34Å; L39-P42 WeakPolarHBondContact O-CG 3.34Å; L39-L43 WeakPolarHBondContact O-CB 3.24Å; L39-L43 WeakPolarHBondContact O-CD1 3.22Å; L39-L43 WeakPolarHBondContact O-CG 3.17Å; L39-L43 PolarHBondContact O-N 3.49Å; L39-V89 HydrophobicContact CD2-CB 4.3Å; L39-V89 HydrophobicContact CD2-CG1 3.87Å; L39-V89 HydrophobicContact CD2-CG2 4.12Å; L39-V89 HydrophobicContact CG-CG1 3.97Å
40	S	94.7	Very high	92.8	Very high	57 Å²	57	64.1 Å²	64.1	40%	0.399	33%	0.328	S	S	.	.	H	α-helix	trans	-57.3	-33	175.2	62.8	0	0	0	0	112.1	I37 L38 L44	I37-S40 VanDerWaalsContact O-CB 3.3Å; I37-S40 WeakPolarHBondContact O-CB 3.37Å; I37-S40 PolarHBondContact O-N 2.84Å; I37-S40 PolarHBondContact O-OG 2.84Å; L38-S40 PolarHBondContact O-N 3.34Å; S40-L44 WeakPolarHBondContact O-CB 3.46Å; S40-L44 WeakPolarHBondContact O-CG 3.14Å; S40-L44 PolarHBondContact O-N 3.06Å
41	I	95.9	Very high	93.5	Very high	17 Å²	17	60 Å²	60	9%	0.087	31%	0.309	C	S	.	.	H	α-helix	trans	-66.6	-60.8	-177.7	-66.2	151.1	0	0	0	111.9	L38 L39 L43 L44 T45 M85 W545 M549 F552	L38-I41 HydrophobicContact CB-CD1 4.5Å; L38-I41 HydrophobicContact CD2-CD1 3.98Å; L38-I41 WeakPolarHBondContact O-CB 3.08Å; L38-I41 PolarHBondContact O-N 3.14Å; L38-I41 VanDerWaalsContact O-N 3.14Å; L39-I41 PolarHBondContact O-N 3.42Å; I41-L43 PolarHBondContact O-N 3.49Å; I41-L44 PolarHBondContact O-N 2.93Å; I41-T45 PolarHBondContact O-N 3.02Å; I41-T45 PolarHBondContact O-OG1 3.41Å; I41-M85 HydrophobicContact CG2-SD 3.9Å; I41-W545 HydrophobicContact CB-CZ3 4.29Å; I41-W545 HydrophobicContact CD1-CE3 3.57Å; I41-W545 HydrophobicContact CD1-CZ3 3.69Å; I41-W545 HydrophobicContact CG2-CZ3 4.28Å; I41-M549 HydrophobicContact CB-CE 3.91Å; I41-M549 HydrophobicContact CD1-CE 3.51Å; I41-M549 HydrophobicContact CD1-SD 4.27Å; I41-M549 HydrophobicContact CG1-CE 3.43Å; I41-M549 VanDerWaalsContact CG1-CE 3.43Å; I41-M549 HydrophobicContact CG1-SD 4.2Å; I41-M549 HydrophobicContact CG2-CE 3.21Å; I41-F552 HydrophobicContact CG2-CD1 4.48Å
42	P	97.4	Very high	94.2	Very high	7 Å²	7	55.6 Å²	55.6	5%	0.045	29%	0.288	C	S	.	.	H	α-helix	trans	-58.7	-37.5	176.9	20.2	-30.1	0	0	0	111.6	L38 L39 L44 T45 L46 A81 M85	L38-P42 WeakPolarHBondContact O-CD 3.46Å; L39-P42 VanDerWaalsContact O-CD 3.26Å; L39-P42 WeakPolarHBondContact O-CD 3.34Å; L39-P42 WeakPolarHBondContact O-CG 3.34Å; P42-L44 PolarHBondContact O-N 3.36Å; P42-T45 WeakPolarHBondContact O-CB 3.35Å; P42-T45 PolarHBondContact O-N 2.73Å; P42-L46 WeakPolarHBondContact O-CB 3.32Å; P42-L46 WeakPolarHBondContact O-CG 3.22Å; P42-L46 PolarHBondContact O-N 2.92Å; P42-A81 HydrophobicContact CB-CB 4.26Å; P42-M85 HydrophobicContact CB-CB 3.85Å; P42-M85 HydrophobicContact CB-SD 3.89Å; P42-M85 HydrophobicContact CG-CB 4.17Å
43	L	97.3	Very high	94.8	Very high	113 Å²	113	51.9 Å²	51.9	59%	0.592	28%	0.276	S	S	*	.	H	α-helix	trans	-61.1	-43.7	177.8	-69.2	173	0	0	0	112.7	L39 I41 F47	L39-L43 WeakPolarHBondContact O-CB 3.24Å; L39-L43 WeakPolarHBondContact O-CD1 3.22Å; L39-L43 WeakPolarHBondContact O-CG 3.17Å; L39-L43 PolarHBondContact O-N 3.49Å; I41-L43 PolarHBondContact O-N 3.49Å; L43-F47 WeakPolarHBondContact O-CB 3.46Å; L43-F47 PolarHBondContact O-N 3Å
44	L	96.5	Very high	95.3	Very high	95 Å²	95	48 Å²	48	50%	0.497	26%	0.264	S	S	.	.	H	α-helix	trans	-67.4	-40.2	175.1	-72.2	170.2	0	0	0	111.8	S40 I41 P42 F47 G48	S40-L44 WeakPolarHBondContact O-CB 3.46Å; S40-L44 WeakPolarHBondContact O-CG 3.14Å; S40-L44 PolarHBondContact O-N 3.06Å; I41-L44 PolarHBondContact O-N 2.93Å; P42-L44 PolarHBondContact O-N 3.36Å; L44-F47 PolarHBondContact O-N 3.23Å; L44-G48 PolarHBondContact O-N 2.88Å
45	T	97.8	Very high	95.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60	-47.5	174.9	-54.2	0	0	0	0	111.3	I41 P42 N49 D77 A81 M85 F552	I41-T45 PolarHBondContact O-N 3.02Å; I41-T45 PolarHBondContact O-OG1 3.41Å; P42-T45 WeakPolarHBondContact O-CB 3.35Å; P42-T45 PolarHBondContact O-N 2.73Å; T45-N49 WeakPolarHBondContact CG2-ND2 3.48Å; T45-N49 WeakPolarHBondContact O-CB 3.45Å; T45-N49 PolarHBondContact O-N 3.41Å; T45-N49 PolarHBondContact O-ND2 3.46Å; T45-D77 WeakPolarHBondContact CG2-O 3.39Å; T45-A81 HydrophobicContact CG2-CB 3.64Å; T45-M85 HydrophobicContact CG2-CE 4.37Å; T45-F552 WeakPolarHBondContact OG1-CB 3.4Å
46	L	97.8	Very high	96.1	Very high	45 Å²	45	44.6 Å²	44.6	24%	0.236	24%	0.24	C	C	.	.	H	α-helix	trans	-59.2	-52.9	177.2	-70.8	173.5	0	0	0	110.5	P42 G48 N49 V50 L78 A81 L82	P42-L46 WeakPolarHBondContact O-CB 3.32Å; P42-L46 WeakPolarHBondContact O-CG 3.22Å; P42-L46 PolarHBondContact O-N 2.92Å; L46-G48 PolarHBondContact O-N 3.49Å; L46-N49 PolarHBondContact O-N 2.88Å; L46-V50 VanDerWaalsContact O-CB 3.3Å; L46-V50 WeakPolarHBondContact O-CB 3.14Å; L46-V50 WeakPolarHBondContact O-CG2 2.96Å; L46-V50 PolarHBondContact O-N 3.3Å; L46-L78 HydrophobicContact CD2-CD1 3.58Å; L46-L78 HydrophobicContact CD2-CG 4.3Å; L46-A81 HydrophobicContact CD2-CB 3.8Å; L46-A81 HydrophobicContact CG-CB 3.91Å; L46-L82 HydrophobicContact CD1-CD2 4.32Å; L46-L82 HydrophobicContact CD2-CD1 4.42Å; L46-L82 HydrophobicContact CD2-CD2 3.49Å; L46-L82 VanDerWaalsContact CD2-CD2 3.49Å; L46-L82 HydrophobicContact CD2-CG 3.6Å
47	F	96.6	Very high	96.4	Very high	119 Å²	119	44 Å²	44	52%	0.522	24%	0.242	S	C	.	.	H	α-helix	trans	-58.5	-50.2	-179	175.1	-103	0	0	0	112.2	L43 L44 L51 L573	L43-F47 WeakPolarHBondContact O-CB 3.46Å; L43-F47 PolarHBondContact O-N 3Å; L44-F47 PolarHBondContact O-N 3.23Å; F47-L51 HydrophobicContact CD1-CD1 4.08Å; F47-L51 HydrophobicContact CE1-CD1 3.57Å; F47-L51 HydrophobicContact CE2-CD1 4.11Å; F47-L51 HydrophobicContact CZ-CD1 3.61Å; F47-L51 WeakPolarHBondContact O-CG 3.18Å; F47-L51 PolarHBondContact O-N 3.42Å; F47-L51 VanDerWaalsContact O-N 3.12Å; F47-L573 HydrophobicContact CE2-CD2 4.33Å; F47-L573 HydrophobicContact CZ-CD2 3.76Å
48	G	96.7	Very high	96.4	Very high	7 Å²	7	43.6 Å²	43.6	7%	0.072	24%	0.235	C	C	.	.	H	α-helix	trans	-62.5	-47	-178.2	0	0	0	0	0	112.6	L44 L46 L51 V52 P555	L44-G48 PolarHBondContact O-N 2.88Å; L46-G48 PolarHBondContact O-N 3.49Å; G48-L51 WeakPolarHBondContact O-CB 3.46Å; G48-L51 PolarHBondContact O-N 3.07Å; G48-V52 WeakPolarHBondContact O-CG2 3.41Å; G48-V52 PolarHBondContact O-N 2.93Å; G48-V52 VanDerWaalsContact O-N 3.07Å; G48-P555 VanDerWaalsContact C-CG 3.45Å
49	N	97.9	Very high	96.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-75.8	-33	-176.5	-72.8	-63.5	0	0	0	113	T45 L46 L51 V52 I53 A74 L78 S551 P555	T45-N49 WeakPolarHBondContact CG2-ND2 3.48Å; T45-N49 WeakPolarHBondContact O-CB 3.45Å; T45-N49 PolarHBondContact O-N 3.41Å; T45-N49 PolarHBondContact O-ND2 3.46Å; L46-N49 PolarHBondContact O-N 2.88Å; N49-L51 VanDerWaalsContact C-N 3.28Å; N49-L51 PolarHBondContact O-N 3.39Å; N49-V52 WeakPolarHBondContact O-CB 3.14Å; N49-V52 PolarHBondContact O-N 3.39Å; N49-V52 VanDerWaalsContact O-N 3.16Å; N49-I53 WeakPolarHBondContact O-CG1 3.36Å; N49-I53 PolarHBondContact O-N 3.36Å; N49-A74 HydrophobicContact CB-CB 4.12Å; N49-A74 WeakPolarHBondContact OD1-CA 3.31Å; N49-A74 WeakPolarHBondContact OD1-CB 3.37Å; N49-L78 HydrophobicContact CB-CB 4.37Å; N49-L78 HydrophobicContact CB-CD1 4.41Å; N49-S551 PolarHBondContact ND2-O 2.73Å; N49-P555 WeakPolarHBondContact OD1-CG 3.47Å
50	V	97.7	Very high	96.2	Very high	68 Å²	68	49.7 Å²	49.7	41%	0.412	25%	0.253	S	S	.	.	H	α-helix	trans	-59	-42.4	168.2	169.9	0	0	0	0	110.5	L46 V52 I53 V54 L78	L46-V50 VanDerWaalsContact O-CB 3.3Å; L46-V50 WeakPolarHBondContact O-CB 3.14Å; L46-V50 WeakPolarHBondContact O-CG2 2.96Å; L46-V50 PolarHBondContact O-N 3.3Å; V50-V52 VanDerWaalsContact C-N 3.35Å; V50-V52 PolarHBondContact O-N 2.83Å; V50-I53 PolarHBondContact O-N 3.33Å; V50-V54 HydrophobicContact CG1-CG2 4.13Å; V50-V54 WeakPolarHBondContact O-CB 3.36Å; V50-V54 VanDerWaalsContact O-CG2 3.25Å; V50-V54 WeakPolarHBondContact O-CG2 3.32Å; V50-V54 PolarHBondContact O-N 3.04Å; V50-L78 HydrophobicContact CG2-CD1 3.78Å
51	L	96.6	Very high	95.8	Very high	21 Å²	21	49.1 Å²	49.1	11%	0.11	25%	0.246	C	C	.	.	H	α-helix	trans	-62.5	-39.7	175	-73	174.7	0	0	0	112.4	F47 G48 N49 S55 F569 L572 L573	F47-L51 HydrophobicContact CD1-CD1 4.08Å; F47-L51 HydrophobicContact CE1-CD1 3.57Å; F47-L51 HydrophobicContact CE2-CD1 4.11Å; F47-L51 HydrophobicContact CZ-CD1 3.61Å; F47-L51 WeakPolarHBondContact O-CG 3.18Å; F47-L51 PolarHBondContact O-N 3.42Å; F47-L51 VanDerWaalsContact O-N 3.12Å; G48-L51 WeakPolarHBondContact O-CB 3.46Å; G48-L51 PolarHBondContact O-N 3.07Å; N49-L51 VanDerWaalsContact C-N 3.28Å; N49-L51 PolarHBondContact O-N 3.39Å; L51-S55 WeakPolarHBondContact O-CB 3.16Å; L51-S55 PolarHBondContact O-N 2.87Å; L51-S55 PolarHBondContact O-OG 2.76Å; L51-F569 HydrophobicContact CB-CD1 4.4Å; L51-F569 HydrophobicContact CB-CD2 4.08Å; L51-F569 HydrophobicContact CB-CE1 4.02Å; L51-F569 HydrophobicContact CB-CE2 3.7Å; L51-F569 HydrophobicContact CB-CG 4.45Å; L51-F569 HydrophobicContact CB-CZ 3.66Å; L51-F569 HydrophobicContact CD1-CD2 3.93Å; L51-F569 HydrophobicContact CD1-CE2 4.08Å; L51-L572 HydrophobicContact CD2-CB 4.12Å; L51-L572 HydrophobicContact CD2-CD1 4.11Å; L51-L573 HydrophobicContact CD1-CD2 4.35Å
52	V	97.3	Very high	95.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.6	-53	174.6	176.3	0	0	0	0	110.6	G48 N49 V50 S55 V56 I70 A74 P555 Y558 F565 F569	G48-V52 WeakPolarHBondContact O-CG2 3.41Å; G48-V52 PolarHBondContact O-N 2.93Å; G48-V52 VanDerWaalsContact O-N 3.07Å; N49-V52 WeakPolarHBondContact O-CB 3.14Å; N49-V52 PolarHBondContact O-N 3.39Å; N49-V52 VanDerWaalsContact O-N 3.16Å; V50-V52 VanDerWaalsContact C-N 3.35Å; V50-V52 PolarHBondContact O-N 2.83Å; V52-S55 WeakPolarHBondContact O-CB 3.47Å; V52-S55 PolarHBondContact O-N 3.27Å; V52-V56 PolarHBondContact O-N 3.08Å; V52-I70 HydrophobicContact CG1-CG2 3.68Å; V52-A74 HydrophobicContact CB-CB 3.86Å; V52-A74 HydrophobicContact CG1-CB 3.68Å; V52-P555 HydrophobicContact CG2-CB 4.15Å; V52-P555 HydrophobicContact CG2-CG 4.03Å; V52-Y558 HydrophobicContact CG2-CD2 4.09Å; V52-F565 HydrophobicContact CG1-CE1 4.11Å; V52-F569 HydrophobicContact CB-CZ 4.42Å; V52-F569 HydrophobicContact CG2-CE1 4.35Å; V52-F569 HydrophobicContact CG2-CZ 3.67Å
53	I	97.9	Very high	95.3	Very high	31 Å²	31	53.3 Å²	53.3	16%	0.159	26%	0.26	C	S	.	.	H	α-helix	trans	-56.7	-54.3	-179	-71.5	168.5	0	0	0	110.2	N49 V50 S55 V56 C57 F71 A74 V75 L78	N49-I53 WeakPolarHBondContact O-CG1 3.36Å; N49-I53 PolarHBondContact O-N 3.36Å; V50-I53 PolarHBondContact O-N 3.33Å; I53-S55 VanDerWaalsContact C-N 3.26Å; I53-S55 PolarHBondContact O-N 2.94Å; I53-V56 PolarHBondContact O-N 2.73Å; I53-C57 PolarHBondContact O-N 3.02Å; I53-C57 PolarHBondContact O-SG 3.47Å; I53-C57 VanDerWaalsContact O-SG 3.33Å; I53-F71 HydrophobicContact CB-CE2 4.35Å; I53-F71 HydrophobicContact CG1-CD2 4.42Å; I53-F71 HydrophobicContact CG1-CE2 4.36Å; I53-F71 HydrophobicContact CG2-CD2 4.42Å; I53-F71 HydrophobicContact CG2-CE2 3.74Å; I53-F71 HydrophobicContact CG2-CZ 4.4Å; I53-A74 HydrophobicContact CD1-CB 4.35Å; I53-A74 HydrophobicContact CG1-CB 3.88Å; I53-V75 HydrophobicContact CD1-CG2 3.98Å; I53-V75 HydrophobicContact CG1-CG2 4.41Å; I53-L78 HydrophobicContact CD1-CD2 4.02Å
54	V	96.6	Very high	95	Very high	59 Å²	59	54.4 Å²	54.4	36%	0.358	26%	0.256	S	S	.	.	H	α-helix	trans	-61.7	-36.5	179.7	175.2	0	0	0	0	111.2	V50 C57 K58 L572	V50-V54 HydrophobicContact CG1-CG2 4.13Å; V50-V54 WeakPolarHBondContact O-CB 3.36Å; V50-V54 VanDerWaalsContact O-CG2 3.25Å; V50-V54 WeakPolarHBondContact O-CG2 3.32Å; V50-V54 PolarHBondContact O-N 3.04Å; V54-C57 PolarHBondContact O-N 2.87Å; V54-K58 WeakPolarHBondContact O-CB 3.41Å; V54-K58 PolarHBondContact O-N 2.73Å; V54-L572 HydrophobicContact CB-CD1 4.11Å; V54-L572 HydrophobicContact CG1-CD1 3.78Å; V54-L572 HydrophobicContact CG1-CD2 3.68Å; V54-L572 HydrophobicContact CG1-CG 4.41Å
55	S	95.8	Very high	94.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.7	-45.5	177.3	-66	0	0	0	0	112	L51 V52 I53 F59 F569 L572	L51-S55 WeakPolarHBondContact O-CB 3.16Å; L51-S55 PolarHBondContact O-N 2.87Å; L51-S55 PolarHBondContact O-OG 2.76Å; V52-S55 WeakPolarHBondContact O-CB 3.47Å; V52-S55 PolarHBondContact O-N 3.27Å; I53-S55 VanDerWaalsContact C-N 3.26Å; I53-S55 PolarHBondContact O-N 2.94Å; S55-F59 WeakPolarHBondContact O-CD2 3.4Å; S55-F59 PolarHBondContact O-N 2.76Å; S55-F59 VanDerWaalsContact O-N 3.11Å; S55-F569 WeakPolarHBondContact OG-CD1 3.3Å; S55-F569 VanDerWaalsContact OG-CE1 3.26Å; S55-F569 WeakPolarHBondContact OG-CE1 3.39Å; S55-L572 VanDerWaalsContact OG-CD1 3.26Å; S55-L572 WeakPolarHBondContact OG-CD1 3.46Å
56	V	95.8	Very high	94.5	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.012	24%	0.243	C	C	.	.	H	α-helix	trans	-66.2	-41.8	178.3	177.2	0	0	0	0	111.1	V52 I53 R63 N67 F71 F565	V52-V56 PolarHBondContact O-N 3.08Å; I53-V56 PolarHBondContact O-N 2.73Å; V56-R63 VanDerWaalsContact O-CG 3.25Å; V56-R63 WeakPolarHBondContact O-CG 3.48Å; V56-N67 HydrophobicContact CG2-CB 4.29Å; V56-F71 HydrophobicContact CB-CD2 4.25Å; V56-F71 HydrophobicContact CG1-CB 4.38Å; V56-F71 HydrophobicContact CG1-CD2 4.3Å; V56-F565 HydrophobicContact CG2-CE1 3.95Å; V56-F565 HydrophobicContact CG2-CZ 3.95Å
57	C	95.6	Very high	94.3	Very high	69 Å²	69	50 Å²	50	47%	0.466	23%	0.234	S	C	.	.	H	α-helix	trans	-66.4	-41.3	178.8	-65.6	0	0	0	0	112.7	I53 V54	I53-C57 PolarHBondContact O-N 3.02Å; I53-C57 PolarHBondContact O-SG 3.47Å; I53-C57 VanDerWaalsContact O-SG 3.33Å; V54-C57 PolarHBondContact O-N 2.87Å
58	K	93.4	Very high	94.3	Very high	113 Å²	113	46.9 Å²	46.9	49%	0.491	22%	0.219	S	C	.	.	H	α-helix	trans	-84.6	-35.6	-170.2	-168.5	174.3	-171.3	165.4	0	114	V54 L572	V54-K58 WeakPolarHBondContact O-CB 3.41Å; V54-K58 PolarHBondContact O-N 2.73Å; K58-L572 HydrophobicContact CD-CD2 3.62Å
59	F	93.8	Very high	94.3	Very high	40 Å²	40	46.9 Å²	46.9	18%	0.175	22%	0.216	C	C	.	.			trans	-100.9	117.2	-172.3	-65.4	-85.5	0	0	0	111.9	S55 N61 L62 R63 A568 A571 L572	S55-F59 WeakPolarHBondContact O-CD2 3.4Å; S55-F59 PolarHBondContact O-N 2.76Å; S55-F59 VanDerWaalsContact O-N 3.11Å; F59-N61 VanDerWaalsContact C-N 3.3Å; F59-N61 PolarHBondContact O-N 3.09Å; F59-L62 HydrophobicContact CB-CB 4.26Å; F59-L62 HydrophobicContact CB-CD1 4.09Å; F59-L62 HydrophobicContact CB-CG 4.14Å; F59-L62 HydrophobicContact CD2-CD1 4.47Å; F59-L62 WeakPolarHBondContact O-CB 3.34Å; F59-L62 PolarHBondContact O-N 2.83Å; F59-R63 PolarHBondContact O-N 2.78Å; F59-A568 HydrophobicContact CD2-CB 3.51Å; F59-A568 HydrophobicContact CE2-CB 3.55Å; F59-A568 HydrophobicContact CG-CB 4.12Å; F59-A568 HydrophobicContact CZ-CB 4.18Å; F59-A571 HydrophobicContact CE1-CB 4.17Å; F59-A571 HydrophobicContact CZ-CB 3.69Å; F59-L572 HydrophobicContact CE2-CD1 4.43Å; F59-L572 HydrophobicContact CE2-CD2 4.21Å; F59-L572 HydrophobicContact CE2-CG 4.01Å
60	R	90.4	Very high	94.2	Very high	180 Å²	180	47.4 Å²	47.4	68%	0.679	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-57.7	-38.7	-177.3	180	173.3	175.6	149.9	2.2	113	L62 R63 D351	R60-L62 PolarHBondContact O-N 3.03Å; R60-R63 PolarHBondContact O-N 3.21Å; R60-R63 VanDerWaalsContact O-N 3.15Å; R60-D351 IonicContact NH1-OD2 3.58Å
61	N	87.4	Confident	94.2	Very high	46 Å²	46	47.2 Å²	47.2	25%	0.246	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-70.3	-15.5	178.5	64.5	0.9	0	0	0	114	F59 R64 E439 E564	F59-N61 VanDerWaalsContact C-N 3.3Å; F59-N61 PolarHBondContact O-N 3.09Å; N61-R64 PolarHBondContact O-NE 3.07Å; N61-R64 PolarHBondContact O-NH2 2.96Å; N61-E439 PolarHBondContact ND2-OE1 3.09Å; N61-E564 PolarHBondContact ND2-OE2 3.23Å
62	L	91	Very high	94.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-90.7	-8.4	172.1	-68.4	-178.6	0	0	0	113.1	F59 R60 R64 N67 E564 F565 A568	F59-L62 HydrophobicContact CB-CB 4.26Å; F59-L62 HydrophobicContact CB-CD1 4.09Å; F59-L62 HydrophobicContact CB-CG 4.14Å; F59-L62 HydrophobicContact CD2-CD1 4.47Å; F59-L62 WeakPolarHBondContact O-CB 3.34Å; F59-L62 PolarHBondContact O-N 2.83Å; R60-L62 PolarHBondContact O-N 3.03Å; L62-R64 PolarHBondContact O-N 2.86Å; L62-N67 WeakPolarHBondContact CA-ND2 3.13Å; L62-N67 WeakPolarHBondContact CD2-ND2 3.37Å; L62-N67 WeakPolarHBondContact O-CB 3.39Å; L62-N67 PolarHBondContact O-ND2 3.35Å; L62-E564 HydrophobicContact CD2-CB 3.7Å; L62-F565 HydrophobicContact CD1-CD1 4.1Å; L62-F565 HydrophobicContact CD1-CE1 4.15Å; L62-F565 HydrophobicContact CD2-CD2 4.37Å; L62-F565 HydrophobicContact CD2-CE2 4.33Å; L62-F565 HydrophobicContact CD2-CZ 4.48Å; L62-A568 HydrophobicContact CD1-CB 3.63Å
63	R	92.6	Very high	94.3	Very high	112 Å²	112	46.4 Å²	46.4	42%	0.423	21%	0.209	S	C	.	.			trans	-80.6	47.1	177.8	-64.4	-171.5	-65.6	172.1	-5.5	113.3	V56 F59 R60 Y68	V56-R63 VanDerWaalsContact O-CG 3.25Å; V56-R63 WeakPolarHBondContact O-CG 3.48Å; F59-R63 PolarHBondContact O-N 2.78Å; R60-R63 PolarHBondContact O-N 3.21Å; R60-R63 VanDerWaalsContact O-N 3.15Å; R63-Y68 HydrophobicContact CB-CE2 4.2Å
64	R	89.9	Confident	94.3	Very high	136 Å²	136	45 Å²	45	51%	0.513	20%	0.202	S	C	.	.	S	Bend	trans	-98	152	175.7	-72.2	-177.1	-85.5	-158.8	-6.4	110.7	N61 L62 I66 N67 Y68	N61-R64 PolarHBondContact O-NE 3.07Å; N61-R64 PolarHBondContact O-NH2 2.96Å; L62-R64 PolarHBondContact O-N 2.86Å; R64-I66 VanDerWaalsContact C-N 3.3Å; R64-I66 HydrophobicContact CB-CG2 4.44Å; R64-I66 PolarHBondContact O-N 3.1Å; R64-I66 VanDerWaalsContact O-N 3.13Å; R64-N67 WeakPolarHBondContact O-CA 3.49Å; R64-N67 WeakPolarHBondContact O-CB 3.15Å; R64-N67 PolarHBondContact O-N 3.44Å; R64-Y68 WeakPolarHBondContact O-CD2 3.34Å; R64-Y68 PolarHBondContact O-N 3.25Å
65	T	91.8	Very high	94.4	Very high	17 Å²	17	44 Å²	44	10%	0.104	20%	0.196	C	C	.	.	H	α-helix	trans	-44.8	-49	-177.1	-41.3	0	0	0	0	113.5	N67 Y68 Y69 R145 A150	T65-N67 VanDerWaalsContact C-N 3.29Å; T65-N67 PolarHBondContact O-N 2.97Å; T65-Y68 WeakPolarHBondContact O-CB 3.39Å; T65-Y68 PolarHBondContact O-N 3.46Å; T65-Y68 VanDerWaalsContact O-N 3.11Å; T65-Y69 HydrophobicContact CG2-CE2 4.45Å; T65-R145 HydrophobicContact CG2-CB 4.03Å; T65-R145 PolarHBondContact OG1-O 2.89Å; T65-A150 HydrophobicContact CG2-CB 3.76Å
66	I	91.3	Very high	94.5	Very high	24 Å²	24	44 Å²	44	12%	0.123	20%	0.196	C	C	.	.	H	α-helix	trans	-59.8	-36.9	178.9	-177.1	57.4	0	0	0	113.3	R64 Y68 Y69 I70 I126 D129	R64-I66 VanDerWaalsContact C-N 3.3Å; R64-I66 HydrophobicContact CB-CG2 4.44Å; R64-I66 PolarHBondContact O-N 3.1Å; R64-I66 VanDerWaalsContact O-N 3.13Å; I66-Y68 VanDerWaalsContact C-N 3.26Å; I66-Y68 PolarHBondContact O-N 3.26Å; I66-Y69 HydrophobicContact CD1-CD2 3.99Å; I66-Y69 WeakPolarHBondContact O-CB 3.42Å; I66-Y69 PolarHBondContact O-N 3.27Å; I66-Y69 VanDerWaalsContact O-N 3.14Å; I66-I70 PolarHBondContact O-N 3.48Å; I66-I126 HydrophobicContact CD1-CG1 4.28Å; I66-I126 HydrophobicContact CD1-CG2 4.21Å; I66-D129 HydrophobicContact CD1-CB 4.35Å
67	N	93.7	Very high	94.6	Very high	7 Å²	7	43.9 Å²	43.9	4%	0.037	20%	0.195	C	C	.	.	H	α-helix	trans	-75.9	-17.3	-178.8	-69.3	-8.5	0	0	0	112	V56 L62 R64 T65 Y69 I70 F71	V56-N67 HydrophobicContact CG2-CB 4.29Å; L62-N67 WeakPolarHBondContact CA-ND2 3.13Å; L62-N67 WeakPolarHBondContact CD2-ND2 3.37Å; L62-N67 WeakPolarHBondContact O-CB 3.39Å; L62-N67 PolarHBondContact O-ND2 3.35Å; R64-N67 WeakPolarHBondContact O-CA 3.49Å; R64-N67 WeakPolarHBondContact O-CB 3.15Å; R64-N67 PolarHBondContact O-N 3.44Å; T65-N67 VanDerWaalsContact C-N 3.29Å; T65-N67 PolarHBondContact O-N 2.97Å; N67-Y69 VanDerWaalsContact C-N 3.34Å; N67-I70 PolarHBondContact O-N 2.78Å; N67-F71 WeakPolarHBondContact O-CB 3.31Å; N67-F71 PolarHBondContact O-N 3.49Å
68	Y	96.6	Very high	94.7	Very high	53 Å²	53	42 Å²	42	21%	0.208	18%	0.181	C	C	.	.	H	α-helix	trans	-74	-24.5	168.4	-79.6	-94.4	0	0	0	112.4	R63 R64 T65 I66 G72 V147 V151 N154	R63-Y68 HydrophobicContact CB-CE2 4.2Å; R64-Y68 WeakPolarHBondContact O-CD2 3.34Å; R64-Y68 PolarHBondContact O-N 3.25Å; T65-Y68 WeakPolarHBondContact O-CB 3.39Å; T65-Y68 PolarHBondContact O-N 3.46Å; T65-Y68 VanDerWaalsContact O-N 3.11Å; I66-Y68 VanDerWaalsContact C-N 3.26Å; I66-Y68 PolarHBondContact O-N 3.26Å; Y68-G72 PolarHBondContact O-N 3.2Å; Y68-V147 HydrophobicContact CD1-CG1 3.93Å; Y68-V147 HydrophobicContact CD2-CB 4.45Å; Y68-V147 HydrophobicContact CD2-CG1 3.62Å; Y68-V147 HydrophobicContact CD2-CG2 4.16Å; Y68-V147 HydrophobicContact CE1-CG1 3.58Å; Y68-V147 HydrophobicContact CE2-CB 4.14Å; Y68-V147 HydrophobicContact CE2-CG1 3.23Å; Y68-V147 HydrophobicContact CE2-CG2 3.77Å; Y68-V147 HydrophobicContact CG-CG1 3.94Å; Y68-V151 HydrophobicContact CD1-CG2 3.99Å; Y68-V151 HydrophobicContact CE1-CG2 4.31Å; Y68-N154 PolarHBondContact O-ND2 3.09Å
69	Y	96.8	Very high	95	Very high	7 Å²	7	38.6 Å²	38.6	3%	0.027	17%	0.168	C	C	.	.	H	α-helix	trans	-72.6	-41.4	167	-55.4	-48.9	0	0	0	111.2	T65 I66 N67 F71 G72 L73 V125 I126 D129 A150 I153	T65-Y69 HydrophobicContact CG2-CE2 4.45Å; I66-Y69 HydrophobicContact CD1-CD2 3.99Å; I66-Y69 WeakPolarHBondContact O-CB 3.42Å; I66-Y69 PolarHBondContact O-N 3.27Å; I66-Y69 VanDerWaalsContact O-N 3.14Å; N67-Y69 VanDerWaalsContact C-N 3.34Å; Y69-F71 VanDerWaalsContact C-N 3.27Å; Y69-F71 PolarHBondContact O-N 3.42Å; Y69-G72 PolarHBondContact O-N 3.38Å; Y69-L73 PolarHBondContact O-N 3.44Å; Y69-V125 HydrophobicContact CD1-CG1 3.67Å; Y69-V125 HydrophobicContact CD2-CG1 4.1Å; Y69-V125 HydrophobicContact CE1-CG1 3.59Å; Y69-V125 HydrophobicContact CE2-CG1 4.04Å; Y69-V125 HydrophobicContact CG-CG1 3.95Å; Y69-I126 HydrophobicContact CG-CG1 4.49Å; Y69-D129 HydrophobicContact CD2-CB 4.45Å; Y69-D129 HydrophobicContact CE2-CB 4.08Å; Y69-A150 HydrophobicContact CD1-CB 4.27Å; Y69-A150 HydrophobicContact CE1-CB 3.72Å; Y69-I153 HydrophobicContact CE1-CB 4.04Å; Y69-I153 HydrophobicContact CE1-CG2 3.9Å
70	I	96.2	Very high	95.2	Very high	11 Å²	11	36.8 Å²	36.8	6%	0.056	16%	0.16	C	C	.	.	H	α-helix	trans	-61.7	-37.9	173.1	-63.7	173.9	0	0	0	111	V52 I66 N67 L73 A74 I126 Y558 F565	V52-I70 HydrophobicContact CG1-CG2 3.68Å; I66-I70 PolarHBondContact O-N 3.48Å; N67-I70 PolarHBondContact O-N 2.78Å; I70-L73 PolarHBondContact O-N 3.35Å; I70-A74 WeakPolarHBondContact O-CB 3.48Å; I70-A74 PolarHBondContact O-N 3.23Å; I70-I126 HydrophobicContact CG1-CD1 4.29Å; I70-Y558 HydrophobicContact CD1-CE1 4.11Å; I70-Y558 HydrophobicContact CG1-CE1 4.39Å; I70-Y558 HydrophobicContact CG2-CD2 4.09Å; I70-Y558 HydrophobicContact CG2-CE1 4.44Å; I70-Y558 HydrophobicContact CG2-CE2 3.52Å; I70-F565 HydrophobicContact CD1-CE2 3.84Å; I70-F565 HydrophobicContact CD1-CZ 4.26Å; I70-F565 HydrophobicContact CG2-CE2 4.38Å; I70-F565 HydrophobicContact CG2-CZ 3.89Å
71	F	97.5	Very high	95.5	Very high	63 Å²	63	28.3 Å²	28.3	28%	0.276	13%	0.128	S	C	.	.	H	α-helix	trans	-59.3	-50.3	174	176	-84.1	0	0	0	111.5	I53 V56 N67 Y69 L73 A74 V75	I53-F71 HydrophobicContact CB-CE2 4.35Å; I53-F71 HydrophobicContact CG1-CD2 4.42Å; I53-F71 HydrophobicContact CG1-CE2 4.36Å; I53-F71 HydrophobicContact CG2-CD2 4.42Å; I53-F71 HydrophobicContact CG2-CE2 3.74Å; I53-F71 HydrophobicContact CG2-CZ 4.4Å; V56-F71 HydrophobicContact CB-CD2 4.25Å; V56-F71 HydrophobicContact CG1-CB 4.38Å; V56-F71 HydrophobicContact CG1-CD2 4.3Å; N67-F71 WeakPolarHBondContact O-CB 3.31Å; N67-F71 PolarHBondContact O-N 3.49Å; Y69-F71 VanDerWaalsContact C-N 3.27Å; Y69-F71 PolarHBondContact O-N 3.42Å; F71-L73 VanDerWaalsContact C-N 3.3Å; F71-L73 PolarHBondContact O-N 3.44Å; F71-A74 WeakPolarHBondContact O-CB 3.34Å; F71-A74 PolarHBondContact O-N 3.28Å; F71-V75 HydrophobicContact CD1-CG2 4.15Å; F71-V75 HydrophobicContact CE1-CG2 3.74Å; F71-V75 HydrophobicContact CZ-CG2 4.16Å; F71-V75 WeakPolarHBondContact O-CG2 3.46Å; F71-V75 PolarHBondContact O-N 3.14Å
72	G	97.9	Very high	96	Very high	3 Å²	3	30.5 Å²	30.5	3%	0.031	14%	0.139	C	C	.	.	H	α-helix	trans	-63.6	-37	178	0	0	0	0	0	113.1	Y68 Y69 A74 V75 A76 N154	Y68-G72 PolarHBondContact O-N 3.2Å; Y69-G72 PolarHBondContact O-N 3.38Å; G72-A74 VanDerWaalsContact C-N 3.31Å; G72-A74 PolarHBondContact O-N 3.19Å; G72-V75 WeakPolarHBondContact O-CB 3.41Å; G72-V75 PolarHBondContact O-N 3.11Å; G72-V75 VanDerWaalsContact O-N 3.14Å; G72-A76 PolarHBondContact O-N 3.44Å; G72-N154 VanDerWaalsContact CA-OD1 3.28Å; G72-N154 WeakPolarHBondContact CA-OD1 3.06Å
73	L	97.8	Very high	96.3	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-60.8	-45	175.2	-177.2	64.7	0	0	0	110.4	Y69 I70 F71 V75 A76 D77 S119 L122 L123 I126 Y558	Y69-L73 PolarHBondContact O-N 3.44Å; I70-L73 PolarHBondContact O-N 3.35Å; F71-L73 VanDerWaalsContact C-N 3.3Å; F71-L73 PolarHBondContact O-N 3.44Å; L73-V75 VanDerWaalsContact C-N 3.3Å; L73-V75 PolarHBondContact O-N 3.06Å; L73-A76 PolarHBondContact O-N 3.38Å; L73-D77 WeakPolarHBondContact O-CB 3.49Å; L73-D77 PolarHBondContact O-N 3.25Å; L73-S119 WeakPolarHBondContact CD1-O 3.33Å; L73-S119 WeakPolarHBondContact CD1-OG 3.18Å; L73-L122 HydrophobicContact CB-CB 4.47Å; L73-L122 HydrophobicContact CD1-CB 4.37Å; L73-L123 HydrophobicContact CD1-CD2 4.42Å; L73-L123 HydrophobicContact CD1-CG 4.11Å; L73-L123 HydrophobicContact CD2-CD2 3.68Å; L73-L123 HydrophobicContact CD2-CG 4.27Å; L73-I126 HydrophobicContact CD2-CD1 4.24Å; L73-Y558 VanDerWaalsContact CD2-OH 3.3Å; L73-Y558 WeakPolarHBondContact CD2-OH 3.3Å
74	A	98.2	Very high	96.6	Very high	2 Å²	2	29.8 Å²	29.8	2%	0.017	14%	0.142	C	C	.	.	H	α-helix	trans	-64	-33	175.4	0	0	0	0	0	112.9	N49 V52 I53 I70 F71 G72 L78	N49-A74 HydrophobicContact CB-CB 4.12Å; N49-A74 WeakPolarHBondContact OD1-CA 3.31Å; N49-A74 WeakPolarHBondContact OD1-CB 3.37Å; V52-A74 HydrophobicContact CB-CB 3.86Å; V52-A74 HydrophobicContact CG1-CB 3.68Å; I53-A74 HydrophobicContact CD1-CB 4.35Å; I53-A74 HydrophobicContact CG1-CB 3.88Å; I70-A74 WeakPolarHBondContact O-CB 3.48Å; I70-A74 PolarHBondContact O-N 3.23Å; F71-A74 WeakPolarHBondContact O-CB 3.34Å; F71-A74 PolarHBondContact O-N 3.28Å; G72-A74 VanDerWaalsContact C-N 3.31Å; G72-A74 PolarHBondContact O-N 3.19Å; A74-L78 WeakPolarHBondContact O-CB 3.4Å; A74-L78 PolarHBondContact O-N 3.47Å
75	V	98.4	Very high	96.9	Very high	37 Å²	37	23.3 Å²	23.3	22%	0.224	12%	0.118	C	C	.	.	H	α-helix	trans	-67.3	-44.9	173.1	172.1	0	0	0	0	111	I53 F71 G72 L73 L78 L79 W158	I53-V75 HydrophobicContact CD1-CG2 3.98Å; I53-V75 HydrophobicContact CG1-CG2 4.41Å; F71-V75 HydrophobicContact CD1-CG2 4.15Å; F71-V75 HydrophobicContact CE1-CG2 3.74Å; F71-V75 HydrophobicContact CZ-CG2 4.16Å; F71-V75 WeakPolarHBondContact O-CG2 3.46Å; F71-V75 PolarHBondContact O-N 3.14Å; G72-V75 WeakPolarHBondContact O-CB 3.41Å; G72-V75 PolarHBondContact O-N 3.11Å; G72-V75 VanDerWaalsContact O-N 3.14Å; L73-V75 VanDerWaalsContact C-N 3.3Å; L73-V75 PolarHBondContact O-N 3.06Å; V75-L78 PolarHBondContact O-N 2.94Å; V75-L79 HydrophobicContact CG1-CD1 4.11Å; V75-L79 WeakPolarHBondContact O-CG 3.16Å; V75-L79 PolarHBondContact O-N 3.19Å; V75-W158 HydrophobicContact CG1-CZ2 4.23Å
76	A	98.3	Very high	97.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.6	-49.6	176.2	0	0	0	0	0	111.2	G72 L73 L78 L79 V80 W158	G72-A76 PolarHBondContact O-N 3.44Å; L73-A76 PolarHBondContact O-N 3.38Å; A76-L78 VanDerWaalsContact C-N 3.32Å; A76-L78 PolarHBondContact O-N 3.02Å; A76-L79 PolarHBondContact O-N 3.26Å; A76-L79 VanDerWaalsContact O-N 3.1Å; A76-V80 WeakPolarHBondContact O-CG2 3.44Å; A76-V80 PolarHBondContact O-N 2.93Å; A76-W158 HydrophobicContact CB-CH2 4.41Å; A76-W158 HydrophobicContact CB-CZ2 4.05Å
77	D	98.2	Very high	97.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.9	-36.3	178.2	-72.5	-25.4	0	0	0	112.5	T45 L73 L79 V80 A81 S119 S551 N554	T45-D77 WeakPolarHBondContact CG2-O 3.39Å; L73-D77 WeakPolarHBondContact O-CB 3.49Å; L73-D77 PolarHBondContact O-N 3.25Å; D77-L79 VanDerWaalsContact C-N 3.35Å; D77-V80 PolarHBondContact O-N 3.46Å; D77-A81 PolarHBondContact O-N 3.07Å; D77-S119 PolarHBondContact OD1-OG 3.03Å; D77-S551 WeakPolarHBondContact OD1-CA 3Å; D77-S551 WeakPolarHBondContact OD1-CB 3.45Å; D77-S551 PolarHBondContact OD1-OG 3.35Å; D77-N554 PolarHBondContact OD2-ND2 3.49Å
78	L	98.1	Very high	97.5	Very high	31 Å²	31	26.8 Å²	26.8	16%	0.162	14%	0.138	C	C	.	.	H	α-helix	trans	-63	-42.1	172.9	-172.3	78.3	0	0	0	111.3	L46 N49 V50 I53 A74 V75 A76 A81 L82	L46-L78 HydrophobicContact CD2-CD1 3.58Å; L46-L78 HydrophobicContact CD2-CG 4.3Å; N49-L78 HydrophobicContact CB-CB 4.37Å; N49-L78 HydrophobicContact CB-CD1 4.41Å; V50-L78 HydrophobicContact CG2-CD1 3.78Å; I53-L78 HydrophobicContact CD1-CD2 4.02Å; A74-L78 WeakPolarHBondContact O-CB 3.4Å; A74-L78 PolarHBondContact O-N 3.47Å; V75-L78 PolarHBondContact O-N 2.94Å; A76-L78 VanDerWaalsContact C-N 3.32Å; A76-L78 PolarHBondContact O-N 3.02Å; L78-A81 PolarHBondContact O-N 3.11Å; L78-L82 HydrophobicContact CD2-CD1 4.37Å; L78-L82 HydrophobicContact CG-CD1 4.07Å; L78-L82 WeakPolarHBondContact O-CG 3.46Å; L78-L82 PolarHBondContact O-N 2.81Å
79	L	98.4	Very high	97.5	Very high	41 Å²	41	24.6 Å²	24.6	22%	0.215	13%	0.13	C	C	.	.	H	α-helix	trans	-69.3	-36.2	178.9	-71.1	170.5	0	0	0	112.1	V75 A76 D77 A81 L82 M83 W158	V75-L79 HydrophobicContact CG1-CD1 4.11Å; V75-L79 WeakPolarHBondContact O-CG 3.16Å; V75-L79 PolarHBondContact O-N 3.19Å; A76-L79 PolarHBondContact O-N 3.26Å; A76-L79 VanDerWaalsContact O-N 3.1Å; D77-L79 VanDerWaalsContact C-N 3.35Å; L79-A81 VanDerWaalsContact C-N 3.27Å; L79-A81 PolarHBondContact O-N 3.04Å; L79-L82 PolarHBondContact O-N 2.96Å; L79-M83 HydrophobicContact CD2-CE 4Å; L79-M83 HydrophobicContact CD2-SD 4.03Å; L79-M83 WeakPolarHBondContact O-CB 3.25Å; L79-M83 PolarHBondContact O-N 2.92Å; L79-W158 HydrophobicContact CD1-CH2 3.41Å; L79-W158 VanDerWaalsContact CD1-CH2 3.41Å; L79-W158 HydrophobicContact CD1-CZ2 3.76Å; L79-W158 HydrophobicContact CD1-CZ3 4.3Å
80	V	98.2	Very high	97.5	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.012	14%	0.14	C	C	.	.	H	α-helix	trans	-56.2	-45.4	169.4	-178.6	0	0	0	0	110.2	A76 D77 L82 V84 M85 C115 Y548	A76-V80 WeakPolarHBondContact O-CG2 3.44Å; A76-V80 PolarHBondContact O-N 2.93Å; D77-V80 PolarHBondContact O-N 3.46Å; V80-L82 VanDerWaalsContact C-N 3.35Å; V80-L82 PolarHBondContact O-N 3.2Å; V80-V84 HydrophobicContact CG1-CB 4.1Å; V80-V84 HydrophobicContact CG1-CG2 4.45Å; V80-V84 WeakPolarHBondContact O-CA 3.4Å; V80-V84 VanDerWaalsContact O-CB 3.3Å; V80-V84 WeakPolarHBondContact O-CB 3.36Å; V80-V84 PolarHBondContact O-N 3.36Å; V80-M85 HydrophobicContact CB-CE 4.3Å; V80-M85 HydrophobicContact CG1-CE 3.54Å; V80-M85 HydrophobicContact CG1-CG 4.12Å; V80-M85 PolarHBondContact O-N 3.04Å; V80-C115 HydrophobicContact CG2-CB 3.47Å; V80-C115 VanDerWaalsContact CG2-CB 3.47Å; V80-Y548 HydrophobicContact CG1-CD1 4.14Å; V80-Y548 HydrophobicContact CG1-CE1 4.37Å
81	A	98.2	Very high	97.4	Very high	2 Å²	2	28.2 Å²	28.2	2%	0.017	15%	0.147	C	C	.	.	H	α-helix	trans	-69.8	-26.9	-180	0	0	0	0	0	114.6	P42 T45 L46 D77 L78 L79 M85 P86	P42-A81 HydrophobicContact CB-CB 4.26Å; T45-A81 HydrophobicContact CG2-CB 3.64Å; L46-A81 HydrophobicContact CD2-CB 3.8Å; L46-A81 HydrophobicContact CG-CB 3.91Å; D77-A81 PolarHBondContact O-N 3.07Å; L78-A81 PolarHBondContact O-N 3.11Å; L79-A81 VanDerWaalsContact C-N 3.27Å; L79-A81 PolarHBondContact O-N 3.04Å; A81-M85 HydrophobicContact CB-SD 4.18Å; A81-P86 VanDerWaalsContact O-CD 3.29Å; A81-P86 WeakPolarHBondContact O-CD 3.44Å; A81-P86 WeakPolarHBondContact O-CG 3.26Å
82	L	97.7	Very high	97.1	Very high	91 Å²	91	26.5 Å²	26.5	48%	0.476	14%	0.14	S	C	.	.	H	α-helix	trans	-89.6	-36	179.7	-71.2	174	0	0	0	113.4	L46 L78 L79 V80	L46-L82 HydrophobicContact CD1-CD2 4.32Å; L46-L82 HydrophobicContact CD2-CD1 4.42Å; L46-L82 HydrophobicContact CD2-CD2 3.49Å; L46-L82 VanDerWaalsContact CD2-CD2 3.49Å; L46-L82 HydrophobicContact CD2-CG 3.6Å; L78-L82 HydrophobicContact CD2-CD1 4.37Å; L78-L82 HydrophobicContact CG-CD1 4.07Å; L78-L82 WeakPolarHBondContact O-CG 3.46Å; L78-L82 PolarHBondContact O-N 2.81Å; L79-L82 PolarHBondContact O-N 2.96Å; V80-L82 VanDerWaalsContact C-N 3.35Å; V80-L82 PolarHBondContact O-N 3.2Å
83	M	96.7	Very high	96.9	Very high	97 Å²	97	30.1 Å²	30.1	48%	0.478	16%	0.155	S	C	.	.	H	α-helix	trans	-113.9	-17	-167.6	-62.9	-175.2	165.3	0	0	114	L79 F87 A111	L79-M83 HydrophobicContact CD2-CE 4Å; L79-M83 HydrophobicContact CD2-SD 4.03Å; L79-M83 WeakPolarHBondContact O-CB 3.25Å; L79-M83 PolarHBondContact O-N 2.92Å; M83-F87 WeakPolarHBondContact O-CD2 3.35Å; M83-F87 WeakPolarHBondContact O-CE2 3.31Å; M83-A111 HydrophobicContact CB-CB 4.36Å
84	V	98.1	Very high	96.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-61.7	-174.9	-176.4	0	0	0	0	109.8	V80 P86 F87 A88 Y108 A111 D112 Y548	V80-V84 HydrophobicContact CG1-CB 4.1Å; V80-V84 HydrophobicContact CG1-CG2 4.45Å; V80-V84 WeakPolarHBondContact O-CA 3.4Å; V80-V84 VanDerWaalsContact O-CB 3.3Å; V80-V84 WeakPolarHBondContact O-CB 3.36Å; V80-V84 PolarHBondContact O-N 3.36Å; V84-P86 VanDerWaalsContact C-CD 3.41Å; V84-F87 PolarHBondContact O-N 3.33Å; V84-A88 PolarHBondContact O-N 2.94Å; V84-A88 VanDerWaalsContact O-N 3.11Å; V84-Y108 HydrophobicContact CB-CE2 4.36Å; V84-Y108 HydrophobicContact CG1-CD2 4.42Å; V84-Y108 HydrophobicContact CG1-CE2 3.66Å; V84-Y108 WeakPolarHBondContact O-CE2 3.2Å; V84-A111 HydrophobicContact CG2-CB 4.28Å; V84-D112 HydrophobicContact CG1-CB 3.85Å; V84-D112 HydrophobicContact CG2-CB 4.14Å; V84-Y548 HydrophobicContact CG1-CE1 3.93Å; V84-Y548 WeakPolarHBondContact CG1-OH 3.24Å
85	M	97.2	Very high	96.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-56	-37	-174.6	-62.6	-178.1	-168.7	0	0	114.7	I41 P42 T45 V80 A81 F87 A88 V89 Y548	I41-M85 HydrophobicContact CG2-SD 3.9Å; P42-M85 HydrophobicContact CB-CB 3.85Å; P42-M85 HydrophobicContact CB-SD 3.89Å; P42-M85 HydrophobicContact CG-CB 4.17Å; T45-M85 HydrophobicContact CG2-CE 4.37Å; V80-M85 HydrophobicContact CB-CE 4.3Å; V80-M85 HydrophobicContact CG1-CE 3.54Å; V80-M85 HydrophobicContact CG1-CG 4.12Å; V80-M85 PolarHBondContact O-N 3.04Å; A81-M85 HydrophobicContact CB-SD 4.18Å; M85-F87 VanDerWaalsContact C-N 3.31Å; M85-F87 PolarHBondContact O-N 3.43Å; M85-A88 WeakPolarHBondContact O-CB 3.38Å; M85-A88 PolarHBondContact O-N 3.26Å; M85-V89 WeakPolarHBondContact O-CG2 3.36Å; M85-V89 PolarHBondContact O-N 3.15Å; M85-Y548 HydrophobicContact CE-CD1 4.4Å; M85-Y548 HydrophobicContact CE-CG 4.23Å; M85-Y548 WeakPolarHBondContact CE-O 3.36Å; M85-Y548 HydrophobicContact CG-CD2 4.4Å; M85-Y548 HydrophobicContact CG-CG 4.3Å
86	P	96.3	Very high	95.8	Very high	54 Å²	54	38.3 Å²	38.3	35%	0.351	19%	0.19	S	C	.	.	H	α-helix	trans	-62.3	-37.1	177.4	-25.3	37.3	0	0	0	113.1	A81 V84 V89 Y90	A81-P86 VanDerWaalsContact O-CD 3.29Å; A81-P86 WeakPolarHBondContact O-CD 3.44Å; A81-P86 WeakPolarHBondContact O-CG 3.26Å; V84-P86 VanDerWaalsContact C-CD 3.41Å; P86-V89 PolarHBondContact O-N 3.32Å; P86-Y90 WeakPolarHBondContact O-CB 3.49Å; P86-Y90 PolarHBondContact O-N 3.28Å
87	F	97	Very high	95.6	Very high	56 Å²	56	43 Å²	43	25%	0.246	21%	0.208	C	C	.	.	H	α-helix	trans	-73.2	-36.5	175.5	-65.4	-75.4	0	0	0	111.7	M83 V84 M85 V89 Y90 V91 W98 L100 L104 Y108	M83-F87 WeakPolarHBondContact O-CD2 3.35Å; M83-F87 WeakPolarHBondContact O-CE2 3.31Å; V84-F87 PolarHBondContact O-N 3.33Å; M85-F87 VanDerWaalsContact C-N 3.31Å; M85-F87 PolarHBondContact O-N 3.43Å; F87-V89 VanDerWaalsContact C-N 3.34Å; F87-V89 PolarHBondContact O-N 3.25Å; F87-Y90 WeakPolarHBondContact O-CB 3.41Å; F87-Y90 PolarHBondContact O-N 3.13Å; F87-V91 WeakPolarHBondContact O-CG2 3.37Å; F87-V91 PolarHBondContact O-N 3.38Å; F87-W98 HydrophobicContact CB-CH2 4.43Å; F87-W98 HydrophobicContact CB-CZ3 4.18Å; F87-W98 HydrophobicContact CD1-CH2 4Å; F87-W98 HydrophobicContact CD1-CZ3 4.37Å; F87-W98 HydrophobicContact CG-CH2 4.41Å; F87-L100 HydrophobicContact CD1-CD1 3.84Å; F87-L100 HydrophobicContact CE1-CD1 3.96Å; F87-L104 HydrophobicContact CD1-CD2 4.49Å; F87-L104 HydrophobicContact CE1-CD2 3.67Å; F87-L104 HydrophobicContact CE1-CG 4.23Å; F87-L104 HydrophobicContact CZ-CD1 4.34Å; F87-L104 HydrophobicContact CZ-CD2 4.22Å; F87-L104 HydrophobicContact CZ-CG 4.49Å; F87-Y108 HydrophobicContact CB-CD2 3.55Å; F87-Y108 HydrophobicContact CB-CE2 3.72Å; F87-Y108 HydrophobicContact CB-CG 4.3Å; F87-Y108 HydrophobicContact CD2-CD2 4.04Å; F87-Y108 HydrophobicContact CG-CD2 4.07Å
88	A	95.9	Very high	95.5	Very high	11 Å²	11	43.2 Å²	43.2	9%	0.091	21%	0.208	C	C	.	.	H	α-helix	trans	-60	-44	171.8	0	0	0	0	0	111.6	V84 M85 V91 E92 W545 Y548	V84-A88 PolarHBondContact O-N 2.94Å; V84-A88 VanDerWaalsContact O-N 3.11Å; M85-A88 WeakPolarHBondContact O-CB 3.38Å; M85-A88 PolarHBondContact O-N 3.26Å; A88-V91 PolarHBondContact O-N 2.88Å; A88-E92 WeakPolarHBondContact O-CG 3.37Å; A88-E92 PolarHBondContact O-N 3.43Å; A88-W545 HydrophobicContact CB-CH2 4.41Å; A88-W545 HydrophobicContact CB-CZ2 4.25Å; A88-Y548 HydrophobicContact CB-CE2 3.84Å
89	V	96.5	Very high	95.3	Very high	8 Å²	8	47.8 Å²	47.8	5%	0.048	23%	0.229	C	C	.	.	H	α-helix	trans	-63.2	-42.7	173.1	175.2	0	0	0	0	111.5	L38 L39 M85 P86 F87 V91 E92 F93 W545	L38-V89 HydrophobicContact CB-CG2 4.1Å; L39-V89 HydrophobicContact CD2-CB 4.3Å; L39-V89 HydrophobicContact CD2-CG1 3.87Å; L39-V89 HydrophobicContact CD2-CG2 4.12Å; L39-V89 HydrophobicContact CG-CG1 3.97Å; M85-V89 WeakPolarHBondContact O-CG2 3.36Å; M85-V89 PolarHBondContact O-N 3.15Å; P86-V89 PolarHBondContact O-N 3.32Å; F87-V89 VanDerWaalsContact C-N 3.34Å; F87-V89 PolarHBondContact O-N 3.25Å; V89-V91 VanDerWaalsContact C-N 3.32Å; V89-V91 PolarHBondContact O-N 3.01Å; V89-E92 PolarHBondContact O-N 3.2Å; V89-F93 WeakPolarHBondContact O-CB 3.43Å; V89-F93 PolarHBondContact O-N 3.28Å; V89-W545 HydrophobicContact CG2-CH2 3.65Å; V89-W545 HydrophobicContact CG2-CZ2 4.3Å
90	Y	95.8	Very high	95.3	Very high	62 Å²	62	49.1 Å²	49.1	24%	0.243	24%	0.236	C	C	.	.	H	α-helix	trans	-57.4	-45.2	178	164.3	-95.5	0	0	0	111.8	P86 F87 E92 F93 N94 L100	P86-Y90 WeakPolarHBondContact O-CB 3.49Å; P86-Y90 PolarHBondContact O-N 3.28Å; F87-Y90 WeakPolarHBondContact O-CB 3.41Å; F87-Y90 PolarHBondContact O-N 3.13Å; Y90-E92 VanDerWaalsContact C-N 3.35Å; Y90-E92 PolarHBondContact O-N 2.87Å; Y90-F93 PolarHBondContact O-N 2.9Å; Y90-N94 HydrophobicContact CE2-CB 4.33Å; Y90-N94 WeakPolarHBondContact O-CB 3.19Å; Y90-N94 PolarHBondContact O-N 3.25Å; Y90-N94 PolarHBondContact OH-ND2 3.25Å; Y90-L100 HydrophobicContact CD1-CD1 3.75Å; Y90-L100 HydrophobicContact CD1-CG 4.36Å; Y90-L100 HydrophobicContact CE1-CD1 3.53Å; Y90-L100 HydrophobicContact CE1-CD2 4.29Å; Y90-L100 HydrophobicContact CE1-CG 3.63Å; Y90-L100 HydrophobicContact CE2-CD2 4.46Å; Y90-L100 HydrophobicContact CG-CD1 4.37Å
91	V	94.2	Very high	95.1	Very high	31 Å²	31	50.8 Å²	50.8	19%	0.188	25%	0.254	C	S	.	.	H	α-helix	trans	-60.6	-44.7	177.1	171.5	0	0	0	0	110.9	F87 A88 V89 F93 N94 R96 W98	F87-V91 WeakPolarHBondContact O-CG2 3.37Å; F87-V91 PolarHBondContact O-N 3.38Å; A88-V91 PolarHBondContact O-N 2.88Å; V89-V91 VanDerWaalsContact C-N 3.32Å; V89-V91 PolarHBondContact O-N 3.01Å; V91-F93 VanDerWaalsContact C-N 3.33Å; V91-F93 PolarHBondContact O-N 3.49Å; V91-N94 CarbonylContact O-C 3.57Å; V91-N94 PolarHBondContact O-N 2.97Å; V91-R96 WeakPolarHBondContact O-CA 3.46Å; V91-R96 PolarHBondContact O-N 2.94Å; V91-W98 HydrophobicContact CG2-CE3 3.65Å; V91-W98 HydrophobicContact CG2-CZ3 4.14Å
92	E	92.6	Very high	95	Very high	27 Å²	27	54 Å²	54	13%	0.126	27%	0.27	C	S	.	.	H	α-helix	trans	-63.2	-38.7	176.3	-68.1	-59.3	142.9	0	0	112.6	A35 L38 A88 V89 Y90 R96 F541 W545	A35-E92 HydrophobicContact CB-CB 3.85Å; L38-E92 HydrophobicContact CD1-CB 4.21Å; L38-E92 HydrophobicContact CD1-CG 4Å; A88-E92 WeakPolarHBondContact O-CG 3.37Å; A88-E92 PolarHBondContact O-N 3.43Å; V89-E92 PolarHBondContact O-N 3.2Å; Y90-E92 VanDerWaalsContact C-N 3.35Å; Y90-E92 PolarHBondContact O-N 2.87Å; E92-R96 IonicContact OE1-NH1 2.63Å; E92-R96 IonicContact OE2-CZ 2.89Å; E92-R96 IonicContact OE2-NH1 3.87Å; E92-R96 PolarHBondContact OE2-NH1 3.34Å; E92-F541 HydrophobicContact CG-CE2 4.15Å; E92-F541 WeakPolarHBondContact OE1-CD2 3.38Å; E92-F541 WeakPolarHBondContact OE2-CE2 3.36Å; E92-W545 HydrophobicContact CG-CZ2 4.41Å
93	F	93.5	Very high	94.9	Very high	80 Å²	80	54.5 Å²	54.5	35%	0.351	28%	0.277	S	S	.	.	H	α-helix	trans	-69.1	-36.2	176.9	-177.1	-92.8	0	0	0	112.3	R32 A35 L36 V89 Y90 V91 N95	R32-F93 HydrophobicContact CB-CD2 3.96Å; R32-F93 HydrophobicContact CB-CE2 3.79Å; R32-F93 HydrophobicContact CG-CD2 4.03Å; R32-F93 HydrophobicContact CG-CE2 3.93Å; R32-F93 HydrophobicContact CG-CZ 4.33Å; A35-F93 HydrophobicContact CB-CB 4.09Å; L36-F93 HydrophobicContact CD2-CD2 4.32Å; L36-F93 HydrophobicContact CD2-CE2 4.43Å; L36-F93 HydrophobicContact CG-CD2 4.42Å; L36-F93 HydrophobicContact CG-CE2 4.48Å; V89-F93 WeakPolarHBondContact O-CB 3.43Å; V89-F93 PolarHBondContact O-N 3.28Å; Y90-F93 PolarHBondContact O-N 2.9Å; V91-F93 VanDerWaalsContact C-N 3.33Å; V91-F93 PolarHBondContact O-N 3.49Å; F93-N95 VanDerWaalsContact C-N 3.26Å; F93-N95 PolarHBondContact O-N 3.47Å
94	N	92.2	Very high	94.8	Very high	32 Å²	32	52.7 Å²	52.7	17%	0.171	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	42	-177.8	-158.6	43.2	0	0	0	112.8	Y90 V91 R96 R97 E99	Y90-N94 HydrophobicContact CE2-CB 4.33Å; Y90-N94 WeakPolarHBondContact O-CB 3.19Å; Y90-N94 PolarHBondContact O-N 3.25Å; Y90-N94 PolarHBondContact OH-ND2 3.25Å; V91-N94 CarbonylContact O-C 3.57Å; V91-N94 PolarHBondContact O-N 2.97Å; N94-R96 PolarHBondContact O-N 3.4Å; N94-R96 VanDerWaalsContact O-N 3.09Å; N94-R97 PolarHBondContact ND2-O 2.94Å; N94-R97 WeakPolarHBondContact O-CB 3.47Å; N94-R97 PolarHBondContact O-N 3.38Å; N94-E99 PolarHBondContact ND2-OE2 2.9Å
95	N	89.2	Confident	94.8	Very high	85 Å²	85	52.8 Å²	52.8	46%	0.455	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	36.1	178.4	-64.7	-22.4	0	0	0	114	F93 R97	F93-N95 VanDerWaalsContact C-N 3.26Å; F93-N95 PolarHBondContact O-N 3.47Å; N95-R97 VanDerWaalsContact C-N 3.26Å; N95-R97 PolarHBondContact O-N 3.22Å
96	R	89.4	Confident	94.8	Very high	94 Å²	94	53.5 Å²	53.5	36%	0.355	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	21.9	-178.6	-43.6	179.3	-161.2	-63.8	-5.1	114.2	V91 E92 N94 F537	V91-R96 WeakPolarHBondContact O-CA 3.46Å; V91-R96 PolarHBondContact O-N 2.94Å; E92-R96 IonicContact OE1-NH1 2.63Å; E92-R96 IonicContact OE2-CZ 2.89Å; E92-R96 IonicContact OE2-NH1 3.87Å; E92-R96 PolarHBondContact OE2-NH1 3.34Å; N94-R96 PolarHBondContact O-N 3.4Å; N94-R96 VanDerWaalsContact O-N 3.09Å; R96-F537 HydrophobicContact CG-CZ 4.44Å
97	R	93.4	Very high	94.8	Very high	99 Å²	99	55 Å²	55	37%	0.374	28%	0.277	S	S	.	.			trans	-106.7	135.9	-180	-55.9	-69.1	-77.6	179.4	-4.8	111.1	N94 N95 T181	N94-R97 PolarHBondContact ND2-O 2.94Å; N94-R97 WeakPolarHBondContact O-CB 3.47Å; N94-R97 PolarHBondContact O-N 3.38Å; N95-R97 VanDerWaalsContact C-N 3.26Å; N95-R97 PolarHBondContact O-N 3.22Å; R97-T181 PolarHBondContact NH1-OG1 3.29Å; R97-T181 VanDerWaalsContact NH2-CG2 3.26Å; R97-T181 PolarHBondContact NH2-OG1 2.91Å
98	W	96	Very high	94.8	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.015	27%	0.271	C	S	.	.			trans	-94.9	117.4	171.3	-176	-91.1	0	0	0	110.4	F87 V91 L100 G101 L104 C105 Y108 T181 C183	F87-W98 HydrophobicContact CB-CH2 4.43Å; F87-W98 HydrophobicContact CB-CZ3 4.18Å; F87-W98 HydrophobicContact CD1-CH2 4Å; F87-W98 HydrophobicContact CD1-CZ3 4.37Å; F87-W98 HydrophobicContact CG-CH2 4.41Å; V91-W98 HydrophobicContact CG2-CE3 3.65Å; V91-W98 HydrophobicContact CG2-CZ3 4.14Å; W98-L100 HydrophobicContact CH2-CD1 4.13Å; W98-L100 HydrophobicContact CZ2-CB 3.79Å; W98-L100 HydrophobicContact CZ2-CD1 4.23Å; W98-L100 HydrophobicContact CZ2-CG 4.5Å; W98-L100 HydrophobicContact CZ3-CD1 4.48Å; W98-G101 PolarHBondContact NE1-O 2.89Å; W98-L104 HydrophobicContact CH2-CG 4.41Å; W98-L104 HydrophobicContact CZ2-CB 4Å; W98-L104 HydrophobicContact CZ2-CD2 4.37Å; W98-L104 HydrophobicContact CZ2-CG 4.07Å; W98-C105 HydrophobicContact CD2-CB 4.38Å; W98-C105 VanDerWaalsContact CZ2-CA 3.46Å; W98-C105 HydrophobicContact CZ2-CB 3.89Å; W98-C105 VanDerWaalsContact CZ2-N 3.28Å; W98-Y108 HydrophobicContact CH2-CG 4.3Å; W98-Y108 HydrophobicContact CZ3-CD1 4.4Å; W98-Y108 HydrophobicContact CZ3-CG 4.44Å; W98-T181 PolarHBondContact N-O 2.95Å; W98-T181 WeakPolarHBondContact O-CA 3.49Å; W98-C183 HydrophobicContact CB-CB 3.9Å; W98-C183 HydrophobicContact CD2-CB 3.45Å; W98-C183 VanDerWaalsContact CD2-CB 3.45Å; W98-C183 HydrophobicContact CE3-CB 3.47Å; W98-C183 VanDerWaalsContact CE3-CB 3.47Å; W98-C183 HydrophobicContact CG-CB 3.62Å; W98-C183 HydrophobicContact CZ3-CB 4.17Å
99	E	95.8	Very high	94.8	Very high	128 Å²	128	53.2 Å²	53.2	60%	0.598	27%	0.267	S	S	*	.			trans	-124.1	13.5	-178.3	-62.3	177.4	164.8	0	0	112.7	N94	N94-E99 PolarHBondContact ND2-OE2 2.9Å
100	L	96.7	Very high	94.9	Very high	68 Å²	68	53.3 Å²	53.3	36%	0.356	27%	0.269	S	S	.	.	S	Bend	trans	-95.7	10.8	-176.1	-54.9	172.8	0	0	0	113.4	F87 Y90 W98 L104	F87-L100 HydrophobicContact CD1-CD1 3.84Å; F87-L100 HydrophobicContact CE1-CD1 3.96Å; Y90-L100 HydrophobicContact CD1-CD1 3.75Å; Y90-L100 HydrophobicContact CD1-CG 4.36Å; Y90-L100 HydrophobicContact CE1-CD1 3.53Å; Y90-L100 HydrophobicContact CE1-CD2 4.29Å; Y90-L100 HydrophobicContact CE1-CG 3.63Å; Y90-L100 HydrophobicContact CE2-CD2 4.46Å; Y90-L100 HydrophobicContact CG-CD1 4.37Å; W98-L100 HydrophobicContact CH2-CD1 4.13Å; W98-L100 HydrophobicContact CZ2-CB 3.79Å; W98-L100 HydrophobicContact CZ2-CD1 4.23Å; W98-L100 HydrophobicContact CZ2-CG 4.5Å; W98-L100 HydrophobicContact CZ3-CD1 4.48Å; L100-L104 HydrophobicContact CB-CB 4.45Å; L100-L104 HydrophobicContact CB-CD2 3.66Å; L100-L104 HydrophobicContact CD1-CD2 3.85Å; L100-L104 HydrophobicContact CG-CD2 4.3Å
101	G	95.3	Very high	95	Very high	38 Å²	38	51.3 Å²	51.3	39%	0.392	27%	0.265	S	S	.	.			trans	80.1	162	178.8	0	0	0	0	0	114.7	W98 V103 C105	W98-G101 PolarHBondContact NE1-O 2.89Å; G101-V103 PolarHBondContact O-N 2.8Å; G101-C105 PolarHBondContact O-N 2.86Å
102	I	94.7	Very high	95.1	Very high	68 Å²	68	50.4 Å²	50.4	35%	0.349	26%	0.259	S	S	.	.	H	α-helix	trans	-65.7	-36.5	-172.2	60.5	172.1	0	0	0	113.4	L104 C105 D106 R178 E180	I102-L104 PolarHBondContact O-N 3.46Å; I102-C105 WeakPolarHBondContact O-CB 3.39Å; I102-C105 PolarHBondContact O-N 2.84Å; I102-D106 PolarHBondContact O-N 2.9Å; I102-R178 PolarHBondContact O-NH2 3.25Å; I102-E180 HydrophobicContact CG2-CG 4.24Å
103	V	95.5	Very high	95.3	Very high	103 Å²	103	49.7 Å²	49.7	62%	0.624	26%	0.256	S	S	*	.	H	α-helix	trans	-65	-45	-177.3	177.5	0	0	0	0	110.6	G101 C105 D106 L107	G101-V103 PolarHBondContact O-N 2.8Å; V103-C105 VanDerWaalsContact C-N 3.28Å; V103-C105 PolarHBondContact O-N 2.69Å; V103-D106 PolarHBondContact O-N 3.22Å; V103-L107 HydrophobicContact CG1-CD1 4.3Å; V103-L107 WeakPolarHBondContact O-CG 3.35Å; V103-L107 PolarHBondContact O-N 2.86Å
104	L	96.2	Very high	95.6	Very high	59 Å²	59	46.1 Å²	46.1	31%	0.309	24%	0.242	S	C	.	.	H	α-helix	trans	-69.9	-30.3	178.7	-167.5	64.6	0	0	0	111.4	F87 W98 L100 I102 L107 Y108	F87-L104 HydrophobicContact CD1-CD2 4.49Å; F87-L104 HydrophobicContact CE1-CD2 3.67Å; F87-L104 HydrophobicContact CE1-CG 4.23Å; F87-L104 HydrophobicContact CZ-CD1 4.34Å; F87-L104 HydrophobicContact CZ-CD2 4.22Å; F87-L104 HydrophobicContact CZ-CG 4.49Å; W98-L104 HydrophobicContact CH2-CG 4.41Å; W98-L104 HydrophobicContact CZ2-CB 4Å; W98-L104 HydrophobicContact CZ2-CD2 4.37Å; W98-L104 HydrophobicContact CZ2-CG 4.07Å; L100-L104 HydrophobicContact CB-CB 4.45Å; L100-L104 HydrophobicContact CB-CD2 3.66Å; L100-L104 HydrophobicContact CD1-CD2 3.85Å; L100-L104 HydrophobicContact CG-CD2 4.3Å; I102-L104 PolarHBondContact O-N 3.46Å; L104-L107 HydrophobicContact CD1-CD1 4.45Å; L104-L107 PolarHBondContact O-N 3.46Å; L104-Y108 VanDerWaalsContact O-CB 3.25Å; L104-Y108 WeakPolarHBondContact O-CB 3.49Å; L104-Y108 PolarHBondContact O-N 3.18Å
105	C	97.1	Very high	95.8	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.007	24%	0.235	C	C	.	.	H	α-helix	trans	-63	-46.1	172.6	175.3	0	0	0	0	111.1	W98 G101 I102 V103 L107 Y108 C109 C183	W98-C105 HydrophobicContact CD2-CB 4.38Å; W98-C105 VanDerWaalsContact CZ2-CA 3.46Å; W98-C105 HydrophobicContact CZ2-CB 3.89Å; W98-C105 VanDerWaalsContact CZ2-N 3.28Å; G101-C105 PolarHBondContact O-N 2.86Å; I102-C105 WeakPolarHBondContact O-CB 3.39Å; I102-C105 PolarHBondContact O-N 2.84Å; V103-C105 VanDerWaalsContact C-N 3.28Å; V103-C105 PolarHBondContact O-N 2.69Å; C105-L107 VanDerWaalsContact C-N 3.34Å; C105-L107 PolarHBondContact O-N 3.22Å; C105-Y108 WeakPolarHBondContact O-CB 3.44Å; C105-Y108 PolarHBondContact O-N 3.35Å; C105-C109 WeakPolarHBondContact O-CB 3.25Å; C105-C109 PolarHBondContact O-N 3.24Å; C105-C109 PolarHBondContact O-SG 2.9Å; C105-C109 VanDerWaalsContact O-SG 3.35Å; C105-C183 WeakPolarHBondContact CA-SG 3.38Å; C105-C183 HydrophobicContact CB-CB 3.9Å; C105-C183 WeakPolarHBondContact CB-SG 3.13Å; C105-C183 WeakPolarHBondContact SG-CA 3.33Å; C105-C183 WeakPolarHBondContact SG-CB 3.48Å; C105-C183 CovalentContact SG-SG 2.04Å; C105-C183 PolarHBondContact SG-SG 3.27Å
106	D	96.5	Very high	96.1	Very high	15 Å²	15	41.2 Å²	41.2	8%	0.08	22%	0.217	C	C	.	.	H	α-helix	trans	-66.7	-37.2	180	-66.5	-17.1	0	0	0	111.7	I102 V103 A110 R178	I102-D106 PolarHBondContact O-N 2.9Å; V103-D106 PolarHBondContact O-N 3.22Å; D106-A110 WeakPolarHBondContact O-CB 3.04Å; D106-A110 PolarHBondContact O-N 2.91Å; D106-R178 IonicContact OD1-CZ 3.69Å; D106-R178 VanDerWaalsContact OD1-CZ 3.28Å; D106-R178 IonicContact OD1-NH1 3.89Å; D106-R178 PolarHBondContact OD1-NH1 2.91Å; D106-R178 IonicContact OD1-NH2 2.69Å; D106-R178 PolarHBondContact OD1-NH2 3.42Å; D106-R178 IonicContact OD2-CZ 2.59Å; D106-R178 IonicContact OD2-NH1 3.63Å; D106-R178 PolarHBondContact OD2-NH1 2.96Å; D106-R178 IonicContact OD2-NH2 3.86Å
107	L	97.1	Very high	96.5	Very high	86 Å²	86	36.8 Å²	36.8	45%	0.45	20%	0.2	S	C	.	.	H	α-helix	trans	-65.2	-41.4	172	-70.5	174.5	0	0	0	112.5	V103 L104 C105 A110 A111 V169	V103-L107 HydrophobicContact CG1-CD1 4.3Å; V103-L107 WeakPolarHBondContact O-CG 3.35Å; V103-L107 PolarHBondContact O-N 2.86Å; L104-L107 HydrophobicContact CD1-CD1 4.45Å; L104-L107 PolarHBondContact O-N 3.46Å; C105-L107 VanDerWaalsContact C-N 3.34Å; C105-L107 PolarHBondContact O-N 3.22Å; L107-A110 PolarHBondContact O-N 3.04Å; L107-A111 VanDerWaalsContact O-CB 3.29Å; L107-A111 WeakPolarHBondContact O-CB 3.39Å; L107-A111 PolarHBondContact O-N 3.48Å; L107-V169 HydrophobicContact CD2-CG2 4.48Å
108	Y	97.4	Very high	96.7	Very high	28 Å²	28	32 Å²	32	11%	0.11	18%	0.182	C	C	.	.	H	α-helix	trans	-61.5	-51.7	175.4	161.6	-102.7	0	0	0	111.1	V84 F87 W98 L104 C105 A110 A111 D112 Y548	V84-Y108 HydrophobicContact CB-CE2 4.36Å; V84-Y108 HydrophobicContact CG1-CD2 4.42Å; V84-Y108 HydrophobicContact CG1-CE2 3.66Å; V84-Y108 WeakPolarHBondContact O-CE2 3.2Å; F87-Y108 HydrophobicContact CB-CD2 3.55Å; F87-Y108 HydrophobicContact CB-CE2 3.72Å; F87-Y108 HydrophobicContact CB-CG 4.3Å; F87-Y108 HydrophobicContact CD2-CD2 4.04Å; F87-Y108 HydrophobicContact CG-CD2 4.07Å; W98-Y108 HydrophobicContact CH2-CG 4.3Å; W98-Y108 HydrophobicContact CZ3-CD1 4.4Å; W98-Y108 HydrophobicContact CZ3-CG 4.44Å; L104-Y108 VanDerWaalsContact O-CB 3.25Å; L104-Y108 WeakPolarHBondContact O-CB 3.49Å; L104-Y108 PolarHBondContact O-N 3.18Å; C105-Y108 WeakPolarHBondContact O-CB 3.44Å; C105-Y108 PolarHBondContact O-N 3.35Å; Y108-A110 VanDerWaalsContact C-N 3.31Å; Y108-A110 PolarHBondContact O-N 3.47Å; Y108-A111 PolarHBondContact O-N 3.44Å; Y108-D112 PolarHBondContact O-N 3.45Å; Y108-Y548 PolarHBondContact OH-OH 2.99Å
109	C	96.6	Very high	96.8	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.014	18%	0.182	C	C	.	.	H	α-helix	trans	-59.6	-41.9	176.7	-71.2	0	0	0	0	111.6	C105 D112 V113 L168 F185	C105-C109 WeakPolarHBondContact O-CB 3.25Å; C105-C109 PolarHBondContact O-N 3.24Å; C105-C109 PolarHBondContact O-SG 2.9Å; C105-C109 VanDerWaalsContact O-SG 3.35Å; C109-D112 PolarHBondContact O-N 3.34Å; C109-V113 WeakPolarHBondContact O-CG2 3.5Å; C109-V113 PolarHBondContact O-N 2.94Å; C109-L168 HydrophobicContact CB-CD1 4.09Å; C109-F185 HydrophobicContact CB-CE1 3.82Å; C109-F185 HydrophobicContact CB-CZ 4.26Å
110	A	97.6	Very high	96.8	Very high	10 Å²	10	25.8 Å²	25.8	8%	0.083	15%	0.153	C	C	.	.	H	α-helix	trans	-66	-40.8	177.2	0	0	0	0	0	112.3	D106 L107 Y108 A114 A165 L168 V169	D106-A110 WeakPolarHBondContact O-CB 3.04Å; D106-A110 PolarHBondContact O-N 2.91Å; L107-A110 PolarHBondContact O-N 3.04Å; Y108-A110 VanDerWaalsContact C-N 3.31Å; Y108-A110 PolarHBondContact O-N 3.47Å; A110-A114 VanDerWaalsContact O-CB 3.28Å; A110-A114 WeakPolarHBondContact O-CB 3.28Å; A110-A114 PolarHBondContact O-N 3.48Å; A110-A165 HydrophobicContact CB-CB 4.28Å; A110-A165 VanDerWaalsContact O-CB 3.29Å; A110-A165 WeakPolarHBondContact O-CB 3.37Å; A110-L168 HydrophobicContact CB-CB 4.21Å; A110-L168 HydrophobicContact CB-CD1 4.28Å; A110-V169 HydrophobicContact CB-CG2 3.63Å
111	A	98.1	Very high	96.8	Very high	19 Å²	19	23.7 Å²	23.7	16%	0.157	14%	0.144	C	C	.	.	H	α-helix	trans	-64.5	-40.4	175.5	0	0	0	0	0	111.7	M83 V84 L107 Y108 A114 C115	M83-A111 HydrophobicContact CB-CB 4.36Å; V84-A111 HydrophobicContact CG2-CB 4.28Å; L107-A111 VanDerWaalsContact O-CB 3.29Å; L107-A111 WeakPolarHBondContact O-CB 3.39Å; L107-A111 PolarHBondContact O-N 3.48Å; Y108-A111 PolarHBondContact O-N 3.44Å; A111-A114 PolarHBondContact O-N 2.88Å; A111-C115 VanDerWaalsContact O-CB 3.3Å; A111-C115 WeakPolarHBondContact O-CB 3.45Å; A111-C115 PolarHBondContact O-N 2.96Å; A111-C115 PolarHBondContact O-SG 3.11Å
112	D	97.2	Very high	96.9	Very high	12 Å²	12	21.9 Å²	21.9	6%	0.064	13%	0.125	C	C	.	.	H	α-helix	trans	-60.5	-51.7	175.9	-170.8	25.4	0	0	0	111.3	V84 Y108 C109 S116	V84-D112 HydrophobicContact CG1-CB 3.85Å; V84-D112 HydrophobicContact CG2-CB 4.14Å; Y108-D112 PolarHBondContact O-N 3.45Å; C109-D112 PolarHBondContact O-N 3.34Å; D112-S116 VanDerWaalsContact O-CB 3.23Å; D112-S116 WeakPolarHBondContact O-CB 3.28Å; D112-S116 PolarHBondContact O-N 3.44Å; D112-S116 PolarHBondContact O-OG 3.23Å
113	V	97	Very high	97	Very high	12 Å²	12	18.8 Å²	18.8	7%	0.073	11%	0.109	C	C	.	.	H	α-helix	trans	-59.7	-51	176	174.2	0	0	0	0	110.8	C109 C115 S116 T117 T164 A165 L168 F185 F190	C109-V113 WeakPolarHBondContact O-CG2 3.5Å; C109-V113 PolarHBondContact O-N 2.94Å; V113-C115 PolarHBondContact O-N 2.96Å; V113-S116 PolarHBondContact O-OG 2.87Å; V113-S116 VanDerWaalsContact O-OG 3.14Å; V113-T117 VanDerWaalsContact O-CB 3.23Å; V113-T117 WeakPolarHBondContact O-CB 3.49Å; V113-T117 PolarHBondContact O-N 3.43Å; V113-T117 PolarHBondContact O-OG1 3.48Å; V113-T164 HydrophobicContact CG1-CG2 4.12Å; V113-A165 HydrophobicContact CB-CB 4.15Å; V113-A165 HydrophobicContact CG1-CB 4.04Å; V113-L168 HydrophobicContact CB-CD1 4.43Å; V113-L168 HydrophobicContact CG2-CD1 3.94Å; V113-F185 HydrophobicContact CG2-CE1 3.92Å; V113-F185 HydrophobicContact CG2-CZ 3.88Å; V113-F190 HydrophobicContact CG2-CE1 4.47Å; V113-F190 HydrophobicContact CG2-CZ 4.41Å
114	A	98	Very high	97	Very high	5 Å²	5	14.5 Å²	14.5	4%	0.041	9%	0.085	C	C	.	.	H	α-helix	trans	-62.6	-44.4	-176.3	0	0	0	0	0	113	A110 A111 S118 S161 L162 A165	A110-A114 VanDerWaalsContact O-CB 3.28Å; A110-A114 WeakPolarHBondContact O-CB 3.28Å; A110-A114 PolarHBondContact O-N 3.48Å; A111-A114 PolarHBondContact O-N 2.88Å; A114-S118 VanDerWaalsContact O-CB 3.3Å; A114-S118 WeakPolarHBondContact O-CB 3.46Å; A114-S118 PolarHBondContact O-N 3.03Å; A114-S161 VanDerWaalsContact O-CB 3.25Å; A114-S161 WeakPolarHBondContact O-CB 3.41Å; A114-L162 HydrophobicContact CB-CD2 4.12Å; A114-A165 HydrophobicContact CB-CB 3.86Å
115	C	97.8	Very high	97.1	Very high	5 Å²	5	13.1 Å²	13.1	3%	0.034	8%	0.079	C	C	.	.	H	α-helix	trans	-73	-40.5	-177.3	-61.8	0	0	0	0	111.8	V80 A111 V113 S118 S119	V80-C115 HydrophobicContact CG2-CB 3.47Å; V80-C115 VanDerWaalsContact CG2-CB 3.47Å; A111-C115 VanDerWaalsContact O-CB 3.3Å; A111-C115 WeakPolarHBondContact O-CB 3.45Å; A111-C115 PolarHBondContact O-N 2.96Å; A111-C115 PolarHBondContact O-SG 3.11Å; V113-C115 PolarHBondContact O-N 2.96Å; C115-S118 PolarHBondContact O-N 3.44Å; C115-S119 WeakPolarHBondContact O-CB 3.29Å; C115-S119 PolarHBondContact O-N 2.91Å
116	S	95.6	Very high	96.9	Very high	10 Å²	10	13.8 Å²	13.8	7%	0.07	8%	0.082	C	C	.	.	H	α-helix	trans	-67	-45.3	176.6	62.1	0	0	0	0	111.8	D112 V113 S118 S119 I120	D112-S116 VanDerWaalsContact O-CB 3.23Å; D112-S116 WeakPolarHBondContact O-CB 3.28Å; D112-S116 PolarHBondContact O-N 3.44Å; D112-S116 PolarHBondContact O-OG 3.23Å; V113-S116 PolarHBondContact O-OG 2.87Å; V113-S116 VanDerWaalsContact O-OG 3.14Å; S116-S118 VanDerWaalsContact C-N 3.31Å; S116-S118 PolarHBondContact O-N 3.17Å; S116-S119 WeakPolarHBondContact O-CB 3.38Å; S116-S119 PolarHBondContact O-N 2.78Å; S116-I120 VanDerWaalsContact O-CG1 3.23Å; S116-I120 WeakPolarHBondContact O-CG1 3.34Å; S116-I120 PolarHBondContact O-N 2.8Å
117	T	97.2	Very high	96.9	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-58.4	-43.8	174.8	-58.8	0	0	0	0	111.1	V113 S119 I120 C121 S198	V113-T117 VanDerWaalsContact O-CB 3.23Å; V113-T117 WeakPolarHBondContact O-CB 3.49Å; V113-T117 PolarHBondContact O-N 3.43Å; V113-T117 PolarHBondContact O-OG1 3.48Å; T117-S119 PolarHBondContact O-N 3.07Å; T117-I120 PolarHBondContact O-N 3.16Å; T117-C121 VanDerWaalsContact O-CB 3.32Å; T117-C121 WeakPolarHBondContact O-CB 3.44Å; T117-C121 PolarHBondContact O-N 3.48Å; T117-C121 PolarHBondContact O-SG 2.84Å; T117-C121 VanDerWaalsContact O-SG 3.36Å; T117-S198 WeakPolarHBondContact OG1-CB 3.47Å; T117-S198 PolarHBondContact OG1-OG 2.98Å
118	S	98.2	Very high	96.8	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60.4	-46.4	177.3	-176.4	0	0	0	0	111.6	A114 C115 S116 C121 L122 S161	A114-S118 VanDerWaalsContact O-CB 3.3Å; A114-S118 WeakPolarHBondContact O-CB 3.46Å; A114-S118 PolarHBondContact O-N 3.03Å; C115-S118 PolarHBondContact O-N 3.44Å; S116-S118 VanDerWaalsContact C-N 3.31Å; S116-S118 PolarHBondContact O-N 3.17Å; S118-C121 PolarHBondContact O-N 3.2Å; S118-L122 WeakPolarHBondContact O-CB 3.35Å; S118-L122 VanDerWaalsContact O-CG 3.24Å; S118-L122 WeakPolarHBondContact O-CG 3.27Å; S118-L122 PolarHBondContact O-N 3.39Å; S118-S161 VanDerWaalsContact CA-OG 3.26Å; S118-S161 WeakPolarHBondContact CA-OG 3.36Å; S118-S161 PolarHBondContact N-OG 3.05Å; S118-S161 VanDerWaalsContact N-OG 3.12Å
119	S	96.7	Very high	96.6	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.007	7%	0.071	C	C	.	.	H	α-helix	trans	-58.9	-48.6	176.5	-174.1	0	0	0	0	111.8	L73 D77 C115 S116 T117 L122 L123	L73-S119 WeakPolarHBondContact CD1-O 3.33Å; L73-S119 WeakPolarHBondContact CD1-OG 3.18Å; D77-S119 PolarHBondContact OD1-OG 3.03Å; C115-S119 WeakPolarHBondContact O-CB 3.29Å; C115-S119 PolarHBondContact O-N 2.91Å; S116-S119 WeakPolarHBondContact O-CB 3.38Å; S116-S119 PolarHBondContact O-N 2.78Å; T117-S119 PolarHBondContact O-N 3.07Å; S119-L122 PolarHBondContact O-N 3.24Å; S119-L123 WeakPolarHBondContact O-CG 3.49Å; S119-L123 PolarHBondContact O-N 3.27Å
120	I	96.2	Very high	96.3	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.6	-48	179.7	-63.3	164.8	0	0	0	111.6	S116 T117 L122 L123 A124 S198 F199 P202 F508 F516	S116-I120 VanDerWaalsContact O-CG1 3.23Å; S116-I120 WeakPolarHBondContact O-CG1 3.34Å; S116-I120 PolarHBondContact O-N 2.8Å; T117-I120 PolarHBondContact O-N 3.16Å; I120-L122 VanDerWaalsContact C-N 3.31Å; I120-L122 PolarHBondContact O-N 3.22Å; I120-L123 WeakPolarHBondContact O-CB 3.45Å; I120-L123 PolarHBondContact O-N 3.36Å; I120-A124 PolarHBondContact O-N 3.27Å; I120-S198 VanDerWaalsContact CD1-O 3.24Å; I120-S198 WeakPolarHBondContact CD1-O 3.21Å; I120-S198 WeakPolarHBondContact CG2-O 3.19Å; I120-F199 HydrophobicContact CD1-CB 4.45Å; I120-F199 HydrophobicContact CD1-CD2 4.3Å; I120-P202 HydrophobicContact CG2-CB 3.49Å; I120-P202 VanDerWaalsContact CG2-CB 3.49Å; I120-P202 HydrophobicContact CG2-CG 4.13Å; I120-F508 HydrophobicContact CG1-CE2 3.76Å; I120-F508 HydrophobicContact CG1-CZ 4.07Å; I120-F508 HydrophobicContact CG2-CE2 4.34Å; I120-F508 HydrophobicContact CG2-CZ 3.93Å; I120-F516 HydrophobicContact CD1-CE2 3.98Å; I120-F516 HydrophobicContact CD1-CZ 3.96Å
121	C	97	Very high	96.1	Very high	24 Å²	24	16.3 Å²	16.3	16%	0.162	9%	0.085	C	C	.	.	H	α-helix	trans	-62.2	-38.3	178.6	-74.3	0	0	0	0	111.9	T117 S118 A124 V125 V157	T117-C121 VanDerWaalsContact O-CB 3.32Å; T117-C121 WeakPolarHBondContact O-CB 3.44Å; T117-C121 PolarHBondContact O-N 3.48Å; T117-C121 PolarHBondContact O-SG 2.84Å; T117-C121 VanDerWaalsContact O-SG 3.36Å; S118-C121 PolarHBondContact O-N 3.2Å; C121-A124 WeakPolarHBondContact O-CB 3.31Å; C121-A124 PolarHBondContact O-N 2.99Å; C121-V125 WeakPolarHBondContact O-CG2 3.4Å; C121-V125 PolarHBondContact O-N 3.05Å; C121-V157 HydrophobicContact CB-CG1 3.55Å; C121-V157 HydrophobicContact CB-CG2 4.21Å
122	L	97.6	Very high	95.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-67.3	-35.4	176	-73.1	169.8	0	0	0	112.4	L73 S118 S119 I120 A124 V125 I126 N154 V157	L73-L122 HydrophobicContact CB-CB 4.47Å; L73-L122 HydrophobicContact CD1-CB 4.37Å; S118-L122 WeakPolarHBondContact O-CB 3.35Å; S118-L122 VanDerWaalsContact O-CG 3.24Å; S118-L122 WeakPolarHBondContact O-CG 3.27Å; S118-L122 PolarHBondContact O-N 3.39Å; S119-L122 PolarHBondContact O-N 3.24Å; I120-L122 VanDerWaalsContact C-N 3.31Å; I120-L122 PolarHBondContact O-N 3.22Å; L122-A124 VanDerWaalsContact C-N 3.32Å; L122-A124 PolarHBondContact O-N 2.96Å; L122-V125 PolarHBondContact O-N 3.38Å; L122-I126 VanDerWaalsContact O-CG1 3.27Å; L122-I126 WeakPolarHBondContact O-CG1 3.26Å; L122-I126 PolarHBondContact O-N 2.88Å; L122-N154 WeakPolarHBondContact CD2-OD1 3.46Å; L122-V157 HydrophobicContact CD2-CB 4.42Å; L122-V157 HydrophobicContact CD2-CG1 4.44Å; L122-V157 HydrophobicContact CD2-CG2 4.24Å; L122-V157 HydrophobicContact CG-CG1 4.04Å
123	L	95.9	Very high	95.5	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.01	9%	0.093	C	C	.	.	H	α-helix	trans	-63.8	-36.6	170.7	-71	173.8	0	0	0	112.4	L73 S119 I120 I126 S127 M206 V504 F508	L73-L123 HydrophobicContact CD1-CD2 4.42Å; L73-L123 HydrophobicContact CD1-CG 4.11Å; L73-L123 HydrophobicContact CD2-CD2 3.68Å; L73-L123 HydrophobicContact CD2-CG 4.27Å; S119-L123 WeakPolarHBondContact O-CG 3.49Å; S119-L123 PolarHBondContact O-N 3.27Å; I120-L123 WeakPolarHBondContact O-CB 3.45Å; I120-L123 PolarHBondContact O-N 3.36Å; L123-I126 PolarHBondContact O-N 3.36Å; L123-S127 WeakPolarHBondContact O-CB 3.33Å; L123-S127 PolarHBondContact O-N 3.07Å; L123-S127 PolarHBondContact O-OG 3.39Å; L123-M206 HydrophobicContact CB-CE 3.61Å; L123-M206 HydrophobicContact CB-SD 3.81Å; L123-M206 HydrophobicContact CD1-CE 4.32Å; L123-V504 HydrophobicContact CD2-CG1 3.55Å; L123-F508 HydrophobicContact CD1-CB 4.3Å; L123-F508 HydrophobicContact CD1-CD2 3.57Å; L123-F508 HydrophobicContact CD1-CE2 4.22Å; L123-F508 HydrophobicContact CD1-CG 4.05Å
124	A	96.8	Very high	95	Very high	14 Å²	14	17.3 Å²	17.3	12%	0.116	9%	0.091	C	C	.	.	H	α-helix	trans	-64.5	-43.8	172.1	0	0	0	0	0	112.2	I120 C121 L122 I126 S127 F128 M206	I120-A124 PolarHBondContact O-N 3.27Å; C121-A124 WeakPolarHBondContact O-CB 3.31Å; C121-A124 PolarHBondContact O-N 2.99Å; L122-A124 VanDerWaalsContact C-N 3.32Å; L122-A124 PolarHBondContact O-N 2.96Å; A124-I126 PolarHBondContact O-N 3.38Å; A124-S127 WeakPolarHBondContact O-CB 3.25Å; A124-S127 PolarHBondContact O-N 2.87Å; A124-F128 PolarHBondContact O-N 3.02Å; A124-M206 VanDerWaalsContact CA-CG 3.43Å; A124-M206 HydrophobicContact CB-CG 3.71Å; A124-M206 HydrophobicContact CB-SD 4.24Å
125	V	96.8	Very high	94.6	Very high	29 Å²	29	18.7 Å²	18.7	18%	0.176	10%	0.097	C	C	.	.	H	α-helix	trans	-61.2	-44.5	174.7	170.5	0	0	0	0	111.4	Y69 C121 L122 S127 F128 D129 I153 V157	Y69-V125 HydrophobicContact CD1-CG1 3.67Å; Y69-V125 HydrophobicContact CD2-CG1 4.1Å; Y69-V125 HydrophobicContact CE1-CG1 3.59Å; Y69-V125 HydrophobicContact CE2-CG1 4.04Å; Y69-V125 HydrophobicContact CG-CG1 3.95Å; C121-V125 WeakPolarHBondContact O-CG2 3.4Å; C121-V125 PolarHBondContact O-N 3.05Å; L122-V125 PolarHBondContact O-N 3.38Å; V125-S127 VanDerWaalsContact C-N 3.32Å; V125-S127 PolarHBondContact O-N 2.84Å; V125-F128 PolarHBondContact O-N 3.42Å; V125-D129 WeakPolarHBondContact O-CB 3.17Å; V125-D129 PolarHBondContact O-N 3.28Å; V125-I153 HydrophobicContact CG1-CG2 3.95Å; V125-I153 HydrophobicContact CG2-CG2 4.03Å; V125-V157 HydrophobicContact CG2-CG2 4.42Å
126	I	94.7	Very high	93.9	Very high	16 Å²	16	22.8 Å²	22.8	8%	0.082	12%	0.116	C	C	.	.	H	α-helix	trans	-58.9	-45.8	175.5	-72.4	165.5	0	0	0	110.1	I66 Y69 I70 L73 L122 L123 A124 F128 D129 R130 L501	I66-I126 HydrophobicContact CD1-CG1 4.28Å; I66-I126 HydrophobicContact CD1-CG2 4.21Å; Y69-I126 HydrophobicContact CG-CG1 4.49Å; I70-I126 HydrophobicContact CG1-CD1 4.29Å; L73-I126 HydrophobicContact CD2-CD1 4.24Å; L122-I126 VanDerWaalsContact O-CG1 3.27Å; L122-I126 WeakPolarHBondContact O-CG1 3.26Å; L122-I126 PolarHBondContact O-N 2.88Å; L123-I126 PolarHBondContact O-N 3.36Å; A124-I126 PolarHBondContact O-N 3.38Å; I126-F128 PolarHBondContact O-N 2.93Å; I126-D129 PolarHBondContact O-N 3.03Å; I126-R130 VanDerWaalsContact O-CG 3.29Å; I126-R130 WeakPolarHBondContact O-CG 3.26Å; I126-R130 PolarHBondContact O-N 3.34Å; I126-L501 HydrophobicContact CG2-CD1 4.43Å
127	S	95	Very high	93.1	Very high	4 Å²	4	25.1 Å²	25.1	3%	0.028	13%	0.131	C	C	.	.	H	α-helix	trans	-60.9	-43.1	179	-57.7	0	0	0	0	112	L123 A124 V125 R130 Y131	L123-S127 WeakPolarHBondContact O-CB 3.33Å; L123-S127 PolarHBondContact O-N 3.07Å; L123-S127 PolarHBondContact O-OG 3.39Å; A124-S127 WeakPolarHBondContact O-CB 3.25Å; A124-S127 PolarHBondContact O-N 2.87Å; V125-S127 VanDerWaalsContact C-N 3.32Å; V125-S127 PolarHBondContact O-N 2.84Å; S127-R130 PolarHBondContact O-N 2.98Å; S127-Y131 PolarHBondContact O-N 2.95Å; S127-Y131 VanDerWaalsContact O-N 3.09Å
128	F	95.1	Very high	92.1	Very high	81 Å²	81	31.4 Å²	31.4	36%	0.355	16%	0.163	S	C	.	.	H	α-helix	trans	-65.2	-44.5	175	175	-114.6	0	0	0	113	A124 V125 I126 R130 Y131 L132 F209	A124-F128 PolarHBondContact O-N 3.02Å; V125-F128 PolarHBondContact O-N 3.42Å; I126-F128 PolarHBondContact O-N 2.93Å; F128-R130 VanDerWaalsContact C-N 3.28Å; F128-R130 PolarHBondContact O-N 3.14Å; F128-Y131 HydrophobicContact CD2-CD1 4.36Å; F128-Y131 HydrophobicContact CE2-CD1 4.47Å; F128-Y131 WeakPolarHBondContact O-CB 3.38Å; F128-Y131 PolarHBondContact O-N 3.35Å; F128-Y131 VanDerWaalsContact O-N 3.1Å; F128-L132 HydrophobicContact CD1-CD1 4.17Å; F128-L132 HydrophobicContact CE1-CD1 3.54Å; F128-L132 HydrophobicContact CE1-CG 4.11Å; F128-L132 HydrophobicContact CE2-CD1 4.38Å; F128-L132 HydrophobicContact CE2-CD2 4.05Å; F128-L132 HydrophobicContact CE2-CG 4.08Å; F128-L132 HydrophobicContact CZ-CD1 3.68Å; F128-L132 HydrophobicContact CZ-CD2 3.92Å; F128-L132 HydrophobicContact CZ-CG 3.87Å; F128-L132 PolarHBondContact O-N 3.42Å; F128-F209 HydrophobicContact CB-CD2 3.89Å; F128-F209 HydrophobicContact CB-CE2 3.84Å; F128-F209 HydrophobicContact CB-CG 4.41Å; F128-F209 HydrophobicContact CB-CZ 4.36Å; F128-F209 HydrophobicContact CD2-CD1 4.17Å; F128-F209 HydrophobicContact CD2-CD2 4.35Å; F128-F209 AromaticContact CD2-CE1 3.62Å; F128-F209 HydrophobicContact CD2-CE1 3.62Å; F128-F209 AromaticContact CD2-CE2 3.79Å; F128-F209 HydrophobicContact CD2-CE2 3.79Å; F128-F209 AromaticContact CD2-CZ 3.41Å; F128-F209 HydrophobicContact CD2-CZ 3.41Å; F128-F209 VanDerWaalsContact CD2-CZ 3.41Å; F128-F209 HydrophobicContact CE2-CE1 4.22Å; F128-F209 HydrophobicContact CE2-CZ 4.09Å; F128-F209 HydrophobicContact CG-CE2 4.19Å; F128-F209 HydrophobicContact CG-CZ 4.26Å
129	D	93.3	Very high	91	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.011	20%	0.198	C	C	.	.	H	α-helix	trans	-59.1	-41	177.6	179.1	97.5	0	0	0	111.5	I66 Y69 V125 I126 L132 A133 Y140 R145	I66-D129 HydrophobicContact CD1-CB 4.35Å; Y69-D129 HydrophobicContact CD2-CB 4.45Å; Y69-D129 HydrophobicContact CE2-CB 4.08Å; V125-D129 WeakPolarHBondContact O-CB 3.17Å; V125-D129 PolarHBondContact O-N 3.28Å; I126-D129 PolarHBondContact O-N 3.03Å; D129-L132 PolarHBondContact O-N 2.86Å; D129-A133 PolarHBondContact O-N 3.47Å; D129-Y140 PolarHBondContact OD1-OH 3Å; D129-Y140 PolarHBondContact OD2-OH 2.64Å; D129-R145 IonicContact OD1-CZ 3.03Å; D129-R145 IonicContact OD1-NH2 2.69Å; D129-R145 PolarHBondContact OD1-NH2 3.33Å
130	R	91.6	Very high	90	Very high	59 Å²	59	43.2 Å²	43.2	22%	0.223	21%	0.208	C	C	.	.	H	α-helix	trans	-64.3	-39.2	174.3	-66.6	-57	86.1	-176	1.5	112.5	I126 S127 F128 A133 A134 Y140 T213 L501	I126-R130 VanDerWaalsContact O-CG 3.29Å; I126-R130 WeakPolarHBondContact O-CG 3.26Å; I126-R130 PolarHBondContact O-N 3.34Å; S127-R130 PolarHBondContact O-N 2.98Å; F128-R130 VanDerWaalsContact C-N 3.28Å; F128-R130 PolarHBondContact O-N 3.14Å; R130-A133 PolarHBondContact O-N 3.02Å; R130-A134 PolarHBondContact O-N 3.43Å; R130-Y140 PolarHBondContact NH2-OH 3.38Å; R130-T213 HydrophobicContact CB-CG2 4.42Å; R130-L501 HydrophobicContact CB-CD2 3.85Å; R130-L501 HydrophobicContact CG-CD1 4.28Å; R130-L501 HydrophobicContact CG-CD2 4.07Å
131	Y	93.3	Very high	89.1	Confident	47 Å²	47	50 Å²	50	18%	0.184	24%	0.241	C	C	.	.	H	α-helix	trans	-61.3	-43.9	173.8	171.8	-108.1	0	0	0	112.1	S127 F128 A133 A134 N135 F209 A212 T213	S127-Y131 PolarHBondContact O-N 2.95Å; S127-Y131 VanDerWaalsContact O-N 3.09Å; F128-Y131 HydrophobicContact CD2-CD1 4.36Å; F128-Y131 HydrophobicContact CE2-CD1 4.47Å; F128-Y131 WeakPolarHBondContact O-CB 3.38Å; F128-Y131 PolarHBondContact O-N 3.35Å; F128-Y131 VanDerWaalsContact O-N 3.1Å; Y131-A133 VanDerWaalsContact C-N 3.34Å; Y131-A133 PolarHBondContact O-N 2.89Å; Y131-A134 PolarHBondContact O-N 2.99Å; Y131-N135 VanDerWaalsContact CE1-ND2 3.28Å; Y131-N135 WeakPolarHBondContact CE1-ND2 3.44Å; Y131-N135 WeakPolarHBondContact CE2-ND2 3.38Å; Y131-N135 PolarHBondContact O-N 2.69Å; Y131-N135 PolarHBondContact OH-ND2 2.88Å; Y131-F209 AromaticContact CD1-CD1 3.81Å; Y131-F209 HydrophobicContact CD1-CD1 3.81Å; Y131-F209 AromaticContact CD1-CE1 3.97Å; Y131-F209 HydrophobicContact CD1-CE1 3.97Å; Y131-F209 HydrophobicContact CE1-CD1 4.34Å; Y131-F209 HydrophobicContact CE1-CE1 4.24Å; Y131-F209 AromaticContact CG-CD1 3.88Å; Y131-F209 HydrophobicContact CG-CD1 3.88Å; Y131-A212 HydrophobicContact CD2-CB 3.71Å; Y131-A212 HydrophobicContact CE2-CB 3.55Å; Y131-T213 WeakPolarHBondContact CA-OG1 3.5Å; Y131-T213 WeakPolarHBondContact CB-OG1 3.44Å; Y131-T213 PolarHBondContact N-OG1 3.07Å
132	L	92.3	Very high	87.8	Confident	41 Å²	41	53.3 Å²	53.3	22%	0.215	27%	0.265	C	S	.	.	H	α-helix	trans	-61.6	-42	175	-67.7	-179.3	0	0	0	112.2	F128 D129 A134 N135 H136 Y140	F128-L132 HydrophobicContact CD1-CD1 4.17Å; F128-L132 HydrophobicContact CE1-CD1 3.54Å; F128-L132 HydrophobicContact CE1-CG 4.11Å; F128-L132 HydrophobicContact CE2-CD1 4.38Å; F128-L132 HydrophobicContact CE2-CD2 4.05Å; F128-L132 HydrophobicContact CE2-CG 4.08Å; F128-L132 HydrophobicContact CZ-CD1 3.68Å; F128-L132 HydrophobicContact CZ-CD2 3.92Å; F128-L132 HydrophobicContact CZ-CG 3.87Å; F128-L132 PolarHBondContact O-N 3.42Å; D129-L132 PolarHBondContact O-N 2.86Å; L132-A134 VanDerWaalsContact C-N 3.33Å; L132-A134 PolarHBondContact O-N 3.42Å; L132-N135 PolarHBondContact O-N 3.25Å; L132-H136 PolarHBondContact O-N 3.41Å; L132-Y140 HydrophobicContact CB-CD2 4.47Å
133	A	88.7	Confident	86.8	Confident	20 Å²	20	57.3 Å²	57.3	17%	0.165	29%	0.293	C	S	.	.	H	α-helix	trans	-61.7	-40.9	176.6	0	0	0	0	0	112	D129 R130 Y131 P137 Y140	D129-A133 PolarHBondContact O-N 3.47Å; R130-A133 PolarHBondContact O-N 3.02Å; Y131-A133 VanDerWaalsContact C-N 3.34Å; Y131-A133 PolarHBondContact O-N 2.89Å; A133-P137 WeakPolarHBondContact O-CA 3.42Å; A133-Y140 HydrophobicContact CB-CD1 4.29Å; A133-Y140 HydrophobicContact CB-CD2 3.82Å; A133-Y140 HydrophobicContact CB-CE1 4.27Å; A133-Y140 HydrophobicContact CB-CE2 3.73Å; A133-Y140 HydrophobicContact CB-CG 4.11Å
134	A	88.1	Confident	85.9	Confident	3 Å²	3	62.2 Å²	62.2	3%	0.025	33%	0.325	C	S	.	.	H	α-helix	trans	-69.7	-41	178.2	0	0	0	0	0	112.7	R130 Y131 L132 T213 Q216 I217 Q220	R130-A134 PolarHBondContact O-N 3.43Å; Y131-A134 PolarHBondContact O-N 2.99Å; L132-A134 VanDerWaalsContact C-N 3.33Å; L132-A134 PolarHBondContact O-N 3.42Å; A134-T213 HydrophobicContact CB-CG2 4.06Å; A134-Q216 HydrophobicContact CB-CB 4.47Å; A134-I217 HydrophobicContact CB-CD1 4.21Å; A134-I217 HydrophobicContact CB-CG1 3.98Å; A134-Q220 PolarHBondContact O-NE2 3.41Å
135	N	87.9	Confident	85.1	Confident	34 Å²	34	65 Å²	65	18%	0.182	33%	0.332	C	S	.	.	H	α-helix	trans	-74.8	-32.8	-178.5	-86.9	-18.9	0	0	0	114.3	Y131 L132 P137 Q216	Y131-N135 VanDerWaalsContact CE1-ND2 3.28Å; Y131-N135 WeakPolarHBondContact CE1-ND2 3.44Å; Y131-N135 WeakPolarHBondContact CE2-ND2 3.38Å; Y131-N135 PolarHBondContact O-N 2.69Å; Y131-N135 PolarHBondContact OH-ND2 2.88Å; L132-N135 PolarHBondContact O-N 3.25Å; N135-P137 VanDerWaalsContact C-CD 3.47Å; N135-Q216 VanDerWaalsContact OD1-CD 3.23Å; N135-Q216 WeakPolarHBondContact OD1-CG 3.3Å; N135-Q216 PolarHBondContact OD1-NE2 3.45Å
136	H	84.1	Confident	84.7	Confident	92 Å²	92	68.5 Å²	68.5	43%	0.426	35%	0.35	S	S	.	.			trans	-130.8	58.9	-171.9	-58.9	-51.5	0	0	0	111.7	L132 I138 R139 Y140	L132-H136 PolarHBondContact O-N 3.41Å; H136-I138 VanDerWaalsContact C-N 3.3Å; H136-I138 PolarHBondContact O-N 2.91Å; H136-R139 HydrophobicContact CB-CB 4.26Å; H136-R139 PolarHBondContact O-N 3.19Å; H136-Y140 WeakPolarHBondContact O-CB 3.36Å; H136-Y140 PolarHBondContact O-N 2.93Å
137	P	79.2	Confident	84.6	Confident	59 Å²	59	69.4 Å²	69.4	38%	0.383	36%	0.356	S	S	.	.	H	α-helix	trans	-59.8	-39.9	-170.9	23.2	-34.2	0	0	0	112.7	A133 N135 M141	A133-P137 WeakPolarHBondContact O-CA 3.42Å; N135-P137 VanDerWaalsContact C-CD 3.47Å; P137-M141 WeakPolarHBondContact O-CB 3.37Å; P137-M141 PolarHBondContact O-N 2.92Å; P137-M141 VanDerWaalsContact O-N 3.16Å
138	I	74.9	Confident	84.6	Confident	132 Å²	132	78.3 Å²	78.3	68%	0.677	39%	0.39	S	S	*	.	H	α-helix	trans	-69.4	-51.5	179.2	-58	174.7	0	0	0	110.3	H136 Y140 M141 S142	H136-I138 VanDerWaalsContact C-N 3.3Å; H136-I138 PolarHBondContact O-N 2.91Å; I138-Y140 VanDerWaalsContact C-N 3.31Å; I138-Y140 PolarHBondContact O-N 3.46Å; I138-M141 PolarHBondContact O-N 3.38Å; I138-S142 VanDerWaalsContact O-CB 3.26Å; I138-S142 WeakPolarHBondContact O-CB 3.44Å; I138-S142 PolarHBondContact O-N 3.46Å; I138-S142 PolarHBondContact O-OG 3.18Å
139	R	75	Confident	84.6	Confident	192 Å²	192	80.6 Å²	80.6	73%	0.725	40%	0.397	S	S	*	.	H	α-helix	trans	-65	-36.8	-178.4	-66.2	-177.2	177	178.9	-2.3	112.2	H136 M141 S143	H136-R139 HydrophobicContact CB-CB 4.26Å; H136-R139 PolarHBondContact O-N 3.19Å; R139-M141 VanDerWaalsContact C-N 3.31Å; R139-M141 PolarHBondContact O-N 2.9Å; R139-S143 PolarHBondContact O-N 3.3Å
140	Y	77.6	Confident	84.8	Confident	56 Å²	56	80.5 Å²	80.5	22%	0.22	40%	0.396	C	S	.	.	H	α-helix	trans	-64.2	-36.8	176.9	-168.9	-76.7	0	0	0	111.6	D129 R130 L132 A133 H136 I138	D129-Y140 PolarHBondContact OD1-OH 3Å; D129-Y140 PolarHBondContact OD2-OH 2.64Å; R130-Y140 PolarHBondContact NH2-OH 3.38Å; L132-Y140 HydrophobicContact CB-CD2 4.47Å; A133-Y140 HydrophobicContact CB-CD1 4.29Å; A133-Y140 HydrophobicContact CB-CD2 3.82Å; A133-Y140 HydrophobicContact CB-CE1 4.27Å; A133-Y140 HydrophobicContact CB-CE2 3.73Å; A133-Y140 HydrophobicContact CB-CG 4.11Å; H136-Y140 WeakPolarHBondContact O-CB 3.36Å; H136-Y140 PolarHBondContact O-N 2.93Å; I138-Y140 VanDerWaalsContact C-N 3.31Å; I138-Y140 PolarHBondContact O-N 3.46Å
141	M	76.4	Confident	85	Confident	142 Å²	142	80.2 Å²	80.2	70%	0.7	40%	0.401	S	S	*	.	H	α-helix	trans	-81.1	-38.7	177.1	-169.3	63.7	66.6	0	0	112.9	P137 I138 R139	P137-M141 WeakPolarHBondContact O-CB 3.37Å; P137-M141 PolarHBondContact O-N 2.92Å; P137-M141 VanDerWaalsContact O-N 3.16Å; I138-M141 PolarHBondContact O-N 3.38Å; R139-M141 VanDerWaalsContact C-N 3.31Å; R139-M141 PolarHBondContact O-N 2.9Å
142	S	70.6	Confident	85.3	Confident	94 Å²	94	79.6 Å²	79.6	66%	0.657	41%	0.409	S	S	*	.	H	α-helix	trans	-77.3	-21.9	-176.6	-63	0	0	0	0	113.5	I138	I138-S142 VanDerWaalsContact O-CB 3.26Å; I138-S142 WeakPolarHBondContact O-CB 3.44Å; I138-S142 PolarHBondContact O-N 3.46Å; I138-S142 PolarHBondContact O-OG 3.18Å
143	S	76.2	Confident	85.5	Confident	85 Å²	85	79.6 Å²	79.6	59%	0.594	41%	0.408	S	S	*	.	S	Bend	trans	-128	81.2	175.5	-170.8	0	0	0	0	109.2	R139 R145	R139-S143 PolarHBondContact O-N 3.3Å; S143-R145 PolarHBondContact O-N 2.82Å
144	P	75.6	Confident	86	Confident	105 Å²	105	79.4 Å²	79.4	68%	0.682	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-62.3	125.7	176.3	26.2	-32.8	0	0	0	109.1
145	R	81.8	Confident	86.5	Confident	72 Å²	72	81.9 Å²	81.9	27%	0.272	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-64.4	139.6	177.4	-77.1	-169.1	-77.2	-91.5	10	110.7	T65 D129 S143 V147	T65-R145 HydrophobicContact CG2-CB 4.03Å; T65-R145 PolarHBondContact OG1-O 2.89Å; D129-R145 IonicContact OD1-CZ 3.03Å; D129-R145 IonicContact OD1-NH2 2.69Å; D129-R145 PolarHBondContact OD1-NH2 3.33Å; S143-R145 PolarHBondContact O-N 2.82Å; R145-V147 PolarHBondContact O-N 3.04Å
146	N	88.4	Confident	87	Confident	102 Å²	102	84 Å²	84	55%	0.545	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-55.6	132.9	171.7	-171.9	-15.4	0	0	0	109.9	W148 Y149	N146-W148 PolarHBondContact O-N 3.31Å; N146-W148 PolarHBondContact OD1-N 2.87Å; N146-Y149 VanDerWaalsContact O-CB 3.28Å; N146-Y149 WeakPolarHBondContact O-CB 3.5Å; N146-Y149 PolarHBondContact O-N 3.2Å
147	V	92.3	Very high	87.7	Confident	36 Å²	36	80.1 Å²	80.1	22%	0.218	42%	0.422	C	S	.	.	H	α-helix	trans	-55.1	-36.7	174.3	163.7	0	0	0	0	111.7	Y68 R145 Y149 A150 V151	Y68-V147 HydrophobicContact CD1-CG1 3.93Å; Y68-V147 HydrophobicContact CD2-CB 4.45Å; Y68-V147 HydrophobicContact CD2-CG1 3.62Å; Y68-V147 HydrophobicContact CD2-CG2 4.16Å; Y68-V147 HydrophobicContact CE1-CG1 3.58Å; Y68-V147 HydrophobicContact CE2-CB 4.14Å; Y68-V147 HydrophobicContact CE2-CG1 3.23Å; Y68-V147 HydrophobicContact CE2-CG2 3.77Å; Y68-V147 HydrophobicContact CG-CG1 3.94Å; R145-V147 PolarHBondContact O-N 3.04Å; V147-Y149 PolarHBondContact O-N 2.82Å; V147-A150 WeakPolarHBondContact O-CA 3.44Å; V147-A150 WeakPolarHBondContact O-CB 3.46Å; V147-A150 PolarHBondContact O-N 3.43Å; V147-V151 HydrophobicContact CG1-CG2 4.34Å; V147-V151 PolarHBondContact O-N 3.41Å
148	W	94.8	Very high	88.6	Confident	191 Å²	191	79.8 Å²	79.8	72%	0.723	41%	0.413	S	S	*	.	H	α-helix	trans	-60.9	-27.8	178	-74	106.5	0	0	0	113.6	N146 A150 V151 G152	N146-W148 PolarHBondContact O-N 3.31Å; N146-W148 PolarHBondContact OD1-N 2.87Å; W148-A150 VanDerWaalsContact C-N 3.35Å; W148-V151 HydrophobicContact CE3-CB 4.2Å; W148-V151 HydrophobicContact CE3-CG1 4.17Å; W148-V151 HydrophobicContact CE3-CG2 4.43Å; W148-V151 HydrophobicContact CZ3-CG1 4.24Å; W148-V151 PolarHBondContact O-N 3.11Å; W148-G152 PolarHBondContact O-N 3.13Å
149	Y	94.9	Very high	89.7	Confident	128 Å²	128	77.5 Å²	77.5	50%	0.502	41%	0.405	S	S	.	.	H	α-helix	trans	-63.4	-42.8	171.1	176.8	-95.8	0	0	0	111.1	N146 V147 G152 I153	N146-Y149 VanDerWaalsContact O-CB 3.28Å; N146-Y149 WeakPolarHBondContact O-CB 3.5Å; N146-Y149 PolarHBondContact O-N 3.2Å; V147-Y149 PolarHBondContact O-N 2.82Å; Y149-G152 PolarHBondContact O-N 2.59Å; Y149-I153 HydrophobicContact CD1-CG1 4.3Å; Y149-I153 HydrophobicContact CE1-CD1 4.44Å; Y149-I153 HydrophobicContact CE1-CG1 3.89Å; Y149-I153 HydrophobicContact CE2-CD1 4.45Å; Y149-I153 HydrophobicContact CE2-CG1 4.42Å; Y149-I153 WeakPolarHBondContact O-CG1 3.46Å; Y149-I153 PolarHBondContact O-N 3.01Å
150	A	96.1	Very high	90.7	Very high	0 Å²	0	72 Å²	72	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-65.8	-38.7	175.6	0	0	0	0	0	112	T65 Y69 V147 W148 I153 N154	T65-A150 HydrophobicContact CG2-CB 3.76Å; Y69-A150 HydrophobicContact CD1-CB 4.27Å; Y69-A150 HydrophobicContact CE1-CB 3.72Å; V147-A150 WeakPolarHBondContact O-CA 3.44Å; V147-A150 WeakPolarHBondContact O-CB 3.46Å; V147-A150 PolarHBondContact O-N 3.43Å; W148-A150 VanDerWaalsContact C-N 3.35Å; A150-I153 PolarHBondContact O-N 3.35Å; A150-N154 PolarHBondContact O-N 3.04Å; A150-N154 PolarHBondContact O-ND2 3.35Å
151	V	97.4	Very high	91.7	Very high	53 Å²	53	69.4 Å²	69.4	32%	0.321	38%	0.379	S	S	.	.	H	α-helix	trans	-61.1	-45.4	174.1	177.1	0	0	0	0	110.9	Y68 V147 W148 I153 N154 A155	Y68-V151 HydrophobicContact CD1-CG2 3.99Å; Y68-V151 HydrophobicContact CE1-CG2 4.31Å; V147-V151 HydrophobicContact CG1-CG2 4.34Å; V147-V151 PolarHBondContact O-N 3.41Å; W148-V151 HydrophobicContact CE3-CB 4.2Å; W148-V151 HydrophobicContact CE3-CG1 4.17Å; W148-V151 HydrophobicContact CE3-CG2 4.43Å; W148-V151 HydrophobicContact CZ3-CG1 4.24Å; W148-V151 PolarHBondContact O-N 3.11Å; V151-I153 PolarHBondContact O-N 3.33Å; V151-N154 WeakPolarHBondContact O-CB 3.36Å; V151-N154 PolarHBondContact O-N 3.07Å; V151-A155 PolarHBondContact O-N 3Å
152	G	98.1	Very high	92.7	Very high	34 Å²	34	67.5 Å²	67.5	35%	0.351	37%	0.371	S	S	.	.	H	α-helix	trans	-61.4	-42.9	176.3	0	0	0	0	0	113.2	W148 Y149 N154 A155 V156	W148-G152 PolarHBondContact O-N 3.13Å; Y149-G152 PolarHBondContact O-N 2.59Å; G152-N154 VanDerWaalsContact C-N 3.34Å; G152-N154 PolarHBondContact O-N 3.35Å; G152-A155 WeakPolarHBondContact O-CB 3.34Å; G152-A155 PolarHBondContact O-N 3.44Å; G152-V156 WeakPolarHBondContact O-CG2 3.19Å; G152-V156 PolarHBondContact O-N 2.87Å
153	I	98.1	Very high	94	Very high	41 Å²	41	68.1 Å²	68.1	21%	0.21	37%	0.366	C	S	.	.	H	α-helix	trans	-61.8	-41.3	175.3	-67.3	-67.1	0	0	0	111.6	Y69 V125 Y149 A150 V151 A155 V156 V157	Y69-I153 HydrophobicContact CE1-CB 4.04Å; Y69-I153 HydrophobicContact CE1-CG2 3.9Å; V125-I153 HydrophobicContact CG1-CG2 3.95Å; V125-I153 HydrophobicContact CG2-CG2 4.03Å; Y149-I153 HydrophobicContact CD1-CG1 4.3Å; Y149-I153 HydrophobicContact CE1-CD1 4.44Å; Y149-I153 HydrophobicContact CE1-CG1 3.89Å; Y149-I153 HydrophobicContact CE2-CD1 4.45Å; Y149-I153 HydrophobicContact CE2-CG1 4.42Å; Y149-I153 WeakPolarHBondContact O-CG1 3.46Å; Y149-I153 PolarHBondContact O-N 3.01Å; A150-I153 PolarHBondContact O-N 3.35Å; V151-I153 PolarHBondContact O-N 3.33Å; I153-A155 VanDerWaalsContact C-N 3.33Å; I153-A155 PolarHBondContact O-N 2.65Å; I153-V156 PolarHBondContact O-N 2.8Å; I153-V157 WeakPolarHBondContact O-CG2 3.23Å; I153-V157 PolarHBondContact O-N 2.97Å
154	N	98.1	Very high	95	Very high	16 Å²	16	65 Å²	65	9%	0.086	34%	0.343	C	S	.	.	H	α-helix	trans	-59.4	-44.7	173.9	-81.8	-81	0	0	0	111.7	Y68 G72 L122 A150 V151 G152 V156 V157 W158	Y68-N154 PolarHBondContact O-ND2 3.09Å; G72-N154 VanDerWaalsContact CA-OD1 3.28Å; G72-N154 WeakPolarHBondContact CA-OD1 3.06Å; L122-N154 WeakPolarHBondContact CD2-OD1 3.46Å; A150-N154 PolarHBondContact O-N 3.04Å; A150-N154 PolarHBondContact O-ND2 3.35Å; V151-N154 WeakPolarHBondContact O-CB 3.36Å; V151-N154 PolarHBondContact O-N 3.07Å; G152-N154 VanDerWaalsContact C-N 3.34Å; G152-N154 PolarHBondContact O-N 3.35Å; N154-V156 VanDerWaalsContact C-N 3.35Å; N154-V156 PolarHBondContact O-N 3.21Å; N154-V157 PolarHBondContact O-N 2.93Å; N154-W158 VanDerWaalsContact O-CD1 3.27Å; N154-W158 PolarHBondContact O-N 2.88Å
155	A	98.4	Very high	96	Very high	55 Å²	55	60.2 Å²	60.2	46%	0.455	31%	0.313	S	S	.	.	H	α-helix	trans	-61.1	-42.6	176.8	0	0	0	0	0	112	V151 G152 I153 V157 W158 V159	V151-A155 PolarHBondContact O-N 3Å; G152-A155 WeakPolarHBondContact O-CB 3.34Å; G152-A155 PolarHBondContact O-N 3.44Å; I153-A155 VanDerWaalsContact C-N 3.33Å; I153-A155 PolarHBondContact O-N 2.65Å; A155-V157 PolarHBondContact O-N 3.39Å; A155-W158 PolarHBondContact O-N 3.27Å; A155-V159 WeakPolarHBondContact O-CG2 3.36Å; A155-V159 PolarHBondContact O-N 3.38Å
156	V	98.4	Very high	96.7	Very high	80 Å²	80	59.1 Å²	59.1	49%	0.485	32%	0.316	S	S	.	.	H	α-helix	trans	-61.9	-43	175.9	170.8	0	0	0	0	111.6	G152 I153 N154 W158 V159 I160	G152-V156 WeakPolarHBondContact O-CG2 3.19Å; G152-V156 PolarHBondContact O-N 2.87Å; I153-V156 PolarHBondContact O-N 2.8Å; N154-V156 VanDerWaalsContact C-N 3.35Å; N154-V156 PolarHBondContact O-N 3.21Å; V156-W158 VanDerWaalsContact C-N 3.32Å; V156-W158 PolarHBondContact O-N 3.49Å; V156-V159 PolarHBondContact O-N 2.97Å; V156-I160 HydrophobicContact CG1-CD1 3.91Å; V156-I160 HydrophobicContact CG1-CG1 4.48Å; V156-I160 WeakPolarHBondContact O-CG1 3.38Å; V156-I160 PolarHBondContact O-N 3.48Å
157	V	98.3	Very high	97.1	Very high	9 Å²	9	55.5 Å²	55.5	6%	0.055	30%	0.298	C	S	.	.	H	α-helix	trans	-61.1	-42.2	176.8	169.9	0	0	0	0	111.3	C121 L122 V125 I153 N154 A155 I160 S161	C121-V157 HydrophobicContact CB-CG1 3.55Å; C121-V157 HydrophobicContact CB-CG2 4.21Å; L122-V157 HydrophobicContact CD2-CB 4.42Å; L122-V157 HydrophobicContact CD2-CG1 4.44Å; L122-V157 HydrophobicContact CD2-CG2 4.24Å; L122-V157 HydrophobicContact CG-CG1 4.04Å; V125-V157 HydrophobicContact CG2-CG2 4.42Å; I153-V157 WeakPolarHBondContact O-CG2 3.23Å; I153-V157 PolarHBondContact O-N 2.97Å; N154-V157 PolarHBondContact O-N 2.93Å; A155-V157 PolarHBondContact O-N 3.39Å; V157-I160 PolarHBondContact O-N 3.24Å; V157-S161 WeakPolarHBondContact O-CB 3.38Å; V157-S161 PolarHBondContact O-N 3.04Å; V157-S161 PolarHBondContact O-OG 3.11Å
158	W	98.4	Very high	97.3	Very high	53 Å²	53	53.8 Å²	53.8	20%	0.201	29%	0.288	C	S	.	.	H	α-helix	trans	-62.1	-42.9	174.7	-85.4	106.5	0	0	0	112.6	V75 A76 L79 N154 A155 V156 S161 L162	V75-W158 HydrophobicContact CG1-CZ2 4.23Å; A76-W158 HydrophobicContact CB-CH2 4.41Å; A76-W158 HydrophobicContact CB-CZ2 4.05Å; L79-W158 HydrophobicContact CD1-CH2 3.41Å; L79-W158 VanDerWaalsContact CD1-CH2 3.41Å; L79-W158 HydrophobicContact CD1-CZ2 3.76Å; L79-W158 HydrophobicContact CD1-CZ3 4.3Å; N154-W158 VanDerWaalsContact O-CD1 3.27Å; N154-W158 PolarHBondContact O-N 2.88Å; A155-W158 PolarHBondContact O-N 3.27Å; V156-W158 VanDerWaalsContact C-N 3.32Å; V156-W158 PolarHBondContact O-N 3.49Å; W158-S161 PolarHBondContact O-N 2.9Å; W158-L162 WeakPolarHBondContact O-CB 3.36Å; W158-L162 VanDerWaalsContact O-CG 3.31Å; W158-L162 WeakPolarHBondContact O-CG 3.3Å; W158-L162 PolarHBondContact O-N 3.4Å
159	V	98.5	Very high	97.3	Very high	84 Å²	84	48.7 Å²	48.7	51%	0.509	28%	0.278	S	S	.	.	H	α-helix	trans	-59.9	-47.6	175.9	170.6	0	0	0	0	111	A155 V156 S161 L162 I163	A155-V159 WeakPolarHBondContact O-CG2 3.36Å; A155-V159 PolarHBondContact O-N 3.38Å; V156-V159 PolarHBondContact O-N 2.97Å; V159-S161 VanDerWaalsContact C-N 3.31Å; V159-S161 PolarHBondContact O-N 3.01Å; V159-L162 PolarHBondContact O-N 3.3Å; V159-I163 HydrophobicContact CG1-CD1 3.74Å; V159-I163 HydrophobicContact CG1-CG1 4.47Å; V159-I163 WeakPolarHBondContact O-CB 3.35Å; V159-I163 VanDerWaalsContact O-CG1 3.23Å; V159-I163 WeakPolarHBondContact O-CG1 3.36Å; V159-I163 PolarHBondContact O-N 2.76Å
160	I	97	Very high	97.4	Very high	77 Å²	77	49.6 Å²	49.6	40%	0.395	29%	0.29	S	S	.	.	H	α-helix	trans	-58.6	-45.4	176.8	-67.9	167.2	0	0	0	110.6	V156 V157 L162 I163 T164	V156-I160 HydrophobicContact CG1-CD1 3.91Å; V156-I160 HydrophobicContact CG1-CG1 4.48Å; V156-I160 WeakPolarHBondContact O-CG1 3.38Å; V156-I160 PolarHBondContact O-N 3.48Å; V157-I160 PolarHBondContact O-N 3.24Å; I160-L162 PolarHBondContact O-N 2.96Å; I160-I163 PolarHBondContact O-N 3.33Å; I160-T164 PolarHBondContact O-N 2.91Å; I160-T164 PolarHBondContact O-OG1 3.37Å; I160-T164 VanDerWaalsContact O-OG1 3.09Å
161	S	98.2	Very high	97.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-65.6	-41	-177.1	-52.3	0	0	0	0	112.4	A114 S118 V157 W158 V159 T164 A165	A114-S161 VanDerWaalsContact O-CB 3.25Å; A114-S161 WeakPolarHBondContact O-CB 3.41Å; S118-S161 VanDerWaalsContact CA-OG 3.26Å; S118-S161 WeakPolarHBondContact CA-OG 3.36Å; S118-S161 PolarHBondContact N-OG 3.05Å; S118-S161 VanDerWaalsContact N-OG 3.12Å; V157-S161 WeakPolarHBondContact O-CB 3.38Å; V157-S161 PolarHBondContact O-N 3.04Å; V157-S161 PolarHBondContact O-OG 3.11Å; W158-S161 PolarHBondContact O-N 2.9Å; V159-S161 VanDerWaalsContact C-N 3.31Å; V159-S161 PolarHBondContact O-N 3.01Å; S161-T164 PolarHBondContact O-N 3.49Å; S161-A165 PolarHBondContact O-N 3.29Å
162	L	97.8	Very high	97.1	Very high	102 Å²	102	52.2 Å²	52.2	53%	0.534	31%	0.306	S	S	.	.	H	α-helix	trans	-68.2	-37.3	175.3	-70.8	170.3	0	0	0	111.8	A114 W158 V159 I160 T164 A165 S166	A114-L162 HydrophobicContact CB-CD2 4.12Å; W158-L162 WeakPolarHBondContact O-CB 3.36Å; W158-L162 VanDerWaalsContact O-CG 3.31Å; W158-L162 WeakPolarHBondContact O-CG 3.3Å; W158-L162 PolarHBondContact O-N 3.4Å; V159-L162 PolarHBondContact O-N 3.3Å; I160-L162 PolarHBondContact O-N 2.96Å; L162-T164 VanDerWaalsContact C-N 3.34Å; L162-A165 PolarHBondContact O-N 3.48Å; L162-S166 WeakPolarHBondContact O-CB 3.17Å; L162-S166 PolarHBondContact O-N 3.42Å
163	I	97.3	Very high	96.8	Very high	108 Å²	108	50.6 Å²	50.6	55%	0.554	29%	0.289	S	S	*	.	H	α-helix	trans	-61.3	-45.5	172.7	-71.5	166.6	0	0	0	110.1	V159 I160 A165 S166	V159-I163 HydrophobicContact CG1-CD1 3.74Å; V159-I163 HydrophobicContact CG1-CG1 4.47Å; V159-I163 WeakPolarHBondContact O-CB 3.35Å; V159-I163 VanDerWaalsContact O-CG1 3.23Å; V159-I163 WeakPolarHBondContact O-CG1 3.36Å; V159-I163 PolarHBondContact O-N 2.76Å; I160-I163 PolarHBondContact O-N 3.33Å; I163-A165 VanDerWaalsContact C-N 3.31Å; I163-A165 PolarHBondContact O-N 3.12Å; I163-S166 PolarHBondContact O-N 2.94Å; I163-S166 PolarHBondContact O-OG 3.07Å
164	T	96.6	Very high	96.5	Very high	19 Å²	19	52.9 Å²	52.9	12%	0.117	30%	0.302	C	S	.	.	H	α-helix	trans	-62.8	-35.6	177.5	-56.5	0	0	0	0	112.6	V113 I160 S161 L162 P167 S198	V113-T164 HydrophobicContact CG1-CG2 4.12Å; I160-T164 PolarHBondContact O-N 2.91Å; I160-T164 PolarHBondContact O-OG1 3.37Å; I160-T164 VanDerWaalsContact O-OG1 3.09Å; S161-T164 PolarHBondContact O-N 3.49Å; L162-T164 VanDerWaalsContact C-N 3.34Å; T164-P167 WeakPolarHBondContact O-CD 3.42Å; T164-S198 WeakPolarHBondContact CG2-OG 3.28Å
165	A	97.4	Very high	96.2	Very high	4 Å²	4	54.2 Å²	54.2	3%	0.033	31%	0.311	C	S	.	.	H	α-helix	trans	-81.1	-23.6	177.7	0	0	0	0	0	114.2	A110 V113 A114 S161 L162 I163 P167 L168	A110-A165 HydrophobicContact CB-CB 4.28Å; A110-A165 VanDerWaalsContact O-CB 3.29Å; A110-A165 WeakPolarHBondContact O-CB 3.37Å; V113-A165 HydrophobicContact CB-CB 4.15Å; V113-A165 HydrophobicContact CG1-CB 4.04Å; A114-A165 HydrophobicContact CB-CB 3.86Å; S161-A165 PolarHBondContact O-N 3.29Å; L162-A165 PolarHBondContact O-N 3.48Å; I163-A165 VanDerWaalsContact C-N 3.31Å; I163-A165 PolarHBondContact O-N 3.12Å; A165-P167 VanDerWaalsContact C-N 3.35Å; A165-L168 WeakPolarHBondContact O-CB 3.13Å; A165-L168 PolarHBondContact O-N 2.92Å; A165-L168 VanDerWaalsContact O-N 3.15Å
166	S	96.8	Very high	95.8	Very high	49 Å²	49	60.3 Å²	60.3	34%	0.343	34%	0.335	S	S	.	.	H	α-helix	trans	-53	-36.2	-174	68.4	0	0	0	0	116.1	L162 I163 L168 V169 L170	L162-S166 WeakPolarHBondContact O-CB 3.17Å; L162-S166 PolarHBondContact O-N 3.42Å; I163-S166 PolarHBondContact O-N 2.94Å; I163-S166 PolarHBondContact O-OG 3.07Å; S166-L168 PolarHBondContact O-N 3.15Å; S166-V169 PolarHBondContact O-N 3.44Å; S166-V169 VanDerWaalsContact O-N 3.15Å; S166-L170 WeakPolarHBondContact O-CG 3.38Å; S166-L170 PolarHBondContact O-N 3.42Å; S166-L170 VanDerWaalsContact O-N 3.15Å
167	P	97.1	Very high	95.3	Very high	27 Å²	27	60.5 Å²	60.5	18%	0.175	34%	0.34	C	S	.	.	H	α-helix	trans	-61.4	-28.7	-179.1	-24.1	36.6	0	0	0	113.8	T164 A165 L170 G171 M172 F190	T164-P167 WeakPolarHBondContact O-CD 3.42Å; A165-P167 VanDerWaalsContact C-N 3.35Å; P167-L170 CarbonylContact O-C 3.59Å; P167-L170 PolarHBondContact O-N 3.09Å; P167-G171 PolarHBondContact O-N 3.48Å; P167-M172 HydrophobicContact CB-CB 3.88Å; P167-M172 HydrophobicContact CB-CE 3.55Å; P167-M172 HydrophobicContact CB-CG 4.29Å; P167-M172 HydrophobicContact CB-SD 3.42Å; P167-M172 WeakPolarHBondContact CB-SD 3.47Å; P167-M172 HydrophobicContact CG-CE 4.31Å; P167-M172 HydrophobicContact CG-SD 4.33Å; P167-M172 WeakPolarHBondContact O-CB 3.49Å; P167-M172 PolarHBondContact O-N 3.16Å; P167-F190 HydrophobicContact CB-CD2 4.09Å; P167-F190 HydrophobicContact CB-CE2 4.09Å; P167-F190 HydrophobicContact CG-CD2 4.4Å; P167-F190 HydrophobicContact CG-CE2 4.15Å
168	L	95.7	Very high	95	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-63.2	-46.2	177.1	-67.1	166.4	0	0	0	111.2	C109 A110 V113 A165 S166 L170 G171 N173 F185 F190	C109-L168 HydrophobicContact CB-CD1 4.09Å; A110-L168 HydrophobicContact CB-CB 4.21Å; A110-L168 HydrophobicContact CB-CD1 4.28Å; V113-L168 HydrophobicContact CB-CD1 4.43Å; V113-L168 HydrophobicContact CG2-CD1 3.94Å; A165-L168 WeakPolarHBondContact O-CB 3.13Å; A165-L168 PolarHBondContact O-N 2.92Å; A165-L168 VanDerWaalsContact O-N 3.15Å; S166-L168 PolarHBondContact O-N 3.15Å; L168-L170 VanDerWaalsContact C-N 3.25Å; L168-L170 PolarHBondContact O-N 2.99Å; L168-G171 PolarHBondContact O-N 2.92Å; L168-G171 VanDerWaalsContact O-N 3.12Å; L168-N173 HydrophobicContact CD2-CB 4.03Å; L168-F185 HydrophobicContact CD1-CE1 3.94Å; L168-F185 HydrophobicContact CD2-CD1 4.06Å; L168-F185 HydrophobicContact CD2-CE1 4.2Å; L168-F190 HydrophobicContact CD1-CE1 3.73Å; L168-F190 HydrophobicContact CD1-CZ 3.55Å; L168-F190 HydrophobicContact CD2-CD1 3.86Å; L168-F190 HydrophobicContact CD2-CE1 3.53Å; L168-F190 HydrophobicContact CD2-CE2 4.48Å; L168-F190 HydrophobicContact CD2-CG 4.48Å; L168-F190 HydrophobicContact CD2-CZ 3.88Å; L168-F190 HydrophobicContact CG-CD1 4.4Å; L168-F190 HydrophobicContact CG-CE1 3.69Å; L168-F190 HydrophobicContact CG-CE2 4.06Å; L168-F190 HydrophobicContact CG-CZ 3.49Å; L168-F190 VanDerWaalsContact CG-CZ 3.49Å
169	V	95.3	Very high	94.7	Very high	84 Å²	84	64 Å²	64	51%	0.509	36%	0.357	S	S	.	.	H	α-helix	trans	-69.8	-26.4	178.9	-174.5	0	0	0	0	111.6	L107 A110 S166 G171	L107-V169 HydrophobicContact CD2-CG2 4.48Å; A110-V169 HydrophobicContact CB-CG2 3.63Å; S166-V169 PolarHBondContact O-N 3.44Å; S166-V169 VanDerWaalsContact O-N 3.15Å; V169-G171 PolarHBondContact O-N 3.39Å
170	L	95.8	Very high	94.4	Very high	147 Å²	147	67 Å²	67	77%	0.77	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	6.5	174.2	-63.5	175.3	0	0	0	113.5	S166 P167 L168	S166-L170 WeakPolarHBondContact O-CG 3.38Å; S166-L170 PolarHBondContact O-N 3.42Å; S166-L170 VanDerWaalsContact O-N 3.15Å; P167-L170 CarbonylContact O-C 3.59Å; P167-L170 PolarHBondContact O-N 3.09Å; L168-L170 VanDerWaalsContact C-N 3.25Å; L168-L170 PolarHBondContact O-N 2.99Å
171	G	93.9	Very high	94.2	Very high	22 Å²	22	65.5 Å²	65.5	23%	0.227	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	15.3	174.6	0	0	0	0	0	115	P167 L168 V169 N173 N174	P167-G171 PolarHBondContact O-N 3.48Å; L168-G171 PolarHBondContact O-N 2.92Å; L168-G171 VanDerWaalsContact O-N 3.12Å; V169-G171 PolarHBondContact O-N 3.39Å; G171-N173 PolarHBondContact O-N 2.87Å; G171-N173 VanDerWaalsContact O-N 3.09Å; G171-N174 WeakPolarHBondContact CA-ND2 2.92Å; G171-N174 WeakPolarHBondContact O-CB 3.42Å; G171-N174 PolarHBondContact O-N 3.35Å
172	M	93.3	Very high	93.9	Very high	86 Å²	86	68.6 Å²	68.6	42%	0.424	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.3	175.1	-170.8	170.9	-76.7	0	0	112.7	P167 N187 F190	P167-M172 HydrophobicContact CB-CB 3.88Å; P167-M172 HydrophobicContact CB-CE 3.55Å; P167-M172 HydrophobicContact CB-CG 4.29Å; P167-M172 HydrophobicContact CB-SD 3.42Å; P167-M172 WeakPolarHBondContact CB-SD 3.47Å; P167-M172 HydrophobicContact CG-CE 4.31Å; P167-M172 HydrophobicContact CG-SD 4.33Å; P167-M172 WeakPolarHBondContact O-CB 3.49Å; P167-M172 PolarHBondContact O-N 3.16Å; M172-N187 VanDerWaalsContact O-CB 3.28Å; M172-N187 WeakPolarHBondContact O-CB 3.5Å; M172-N187 PolarHBondContact O-ND2 3.49Å; M172-F190 HydrophobicContact CG-CB 4.28Å; M172-F190 HydrophobicContact SD-CB 3.84Å; M172-F190 HydrophobicContact SD-CD2 3.7Å; M172-F190 HydrophobicContact SD-CG 4.16Å
173	N	92.8	Very high	93.8	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-3.8	176.7	-153.7	40.7	0	0	0	114.1	L168 G171 V175 R184 Y186	L168-N173 HydrophobicContact CD2-CB 4.03Å; G171-N173 PolarHBondContact O-N 2.87Å; G171-N173 VanDerWaalsContact O-N 3.09Å; N173-V175 PolarHBondContact O-N 3.22Å; N173-R184 PolarHBondContact ND2-O 3.2Å; N173-Y186 PolarHBondContact OD1-N 2.97Å
174	N	92.7	Very high	93.5	Very high	88 Å²	88	65.6 Å²	65.6	47%	0.471	35%	0.353	S	S	.	.			trans	-84.8	85.4	177.6	-68.6	-37.6	0	0	0	110.5	G171 R178	G171-N174 WeakPolarHBondContact CA-ND2 2.92Å; G171-N174 WeakPolarHBondContact O-CB 3.42Å; G171-N174 PolarHBondContact O-N 3.35Å; N174-R178 PolarHBondContact OD1-NH1 3.38Å
175	V	91	Very high	93.3	Very high	45 Å²	45	66.2 Å²	66.2	27%	0.273	35%	0.354	S	S	.	.			trans	-107.6	159.9	173.6	-57.8	0	0	0	0	110.4	N173 S177 R178 Y186	N173-V175 PolarHBondContact O-N 3.22Å; V175-S177 WeakPolarHBondContact CG2-OG 3.32Å; V175-S177 PolarHBondContact O-N 3.48Å; V175-R178 HydrophobicContact CG2-CB 4.4Å; V175-R178 WeakPolarHBondContact O-CB 3.36Å; V175-R178 PolarHBondContact O-N 2.89Å; V175-Y186 VanDerWaalsContact CG2-CB 3.46Å; V175-Y186 HydrophobicContact CG2-CD1 4.42Å; V175-Y186 HydrophobicContact CG2-CG 4.19Å
176	D	89.4	Confident	93.1	Very high	182 Å²	182	67.1 Å²	67.1	97%	0.973	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-26.5	-176.9	-60.8	-34.6	0	0	0	113.7	R178	D176-R178 VanDerWaalsContact C-N 3.27Å; D176-R178 PolarHBondContact O-N 3Å
177	S	88.3	Confident	92.9	Very high	84 Å²	84	66.4 Å²	66.4	59%	0.587	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	8.4	176.3	58.5	0	0	0	0	114.2	V175 E179	V175-S177 WeakPolarHBondContact CG2-OG 3.32Å; V175-S177 PolarHBondContact O-N 3.48Å; S177-E179 PolarHBondContact O-N 2.98Å
178	R	92.3	Very high	92.7	Very high	35 Å²	35	65.8 Å²	65.8	13%	0.132	35%	0.347	C	S	.	.			trans	-70.1	123.7	180	-178.3	173.9	-175.5	159.3	10	110.3	I102 D106 N174 V175 D176 Y186	I102-R178 PolarHBondContact O-NH2 3.25Å; D106-R178 IonicContact OD1-CZ 3.69Å; D106-R178 VanDerWaalsContact OD1-CZ 3.28Å; D106-R178 IonicContact OD1-NH1 3.89Å; D106-R178 PolarHBondContact OD1-NH1 2.91Å; D106-R178 IonicContact OD1-NH2 2.69Å; D106-R178 PolarHBondContact OD1-NH2 3.42Å; D106-R178 IonicContact OD2-CZ 2.59Å; D106-R178 IonicContact OD2-NH1 3.63Å; D106-R178 PolarHBondContact OD2-NH1 2.96Å; D106-R178 IonicContact OD2-NH2 3.86Å; N174-R178 PolarHBondContact OD1-NH1 3.38Å; V175-R178 HydrophobicContact CG2-CB 4.4Å; V175-R178 WeakPolarHBondContact O-CB 3.36Å; V175-R178 PolarHBondContact O-N 2.89Å; D176-R178 VanDerWaalsContact C-N 3.27Å; D176-R178 PolarHBondContact O-N 3Å; R178-Y186 HydrophobicContact CB-CD2 4.34Å; R178-Y186 HydrophobicContact CB-CE2 4.43Å; R178-Y186 HydrophobicContact CB-CG 4.4Å; R178-Y186 HydrophobicContact CG-CD2 3.93Å; R178-Y186 HydrophobicContact CG-CE2 3.77Å; R178-Y186 HydrophobicContact CG-CG 4.48Å
179	E	91.8	Very high	92.6	Very high	102 Å²	102	69 Å²	69	48%	0.477	36%	0.364	S	S	.	.			trans	-93.8	126.8	171.5	-62	-174.5	-167.3	0	0	109.9	S177 T181 E182 Y186	S177-E179 PolarHBondContact O-N 2.98Å; E179-T181 PolarHBondContact O-N 3.27Å; E179-E182 PolarHBondContact O-N 2.73Å; E179-E182 VanDerWaalsContact O-O 3.11Å; E179-Y186 PolarHBondContact N-OH 3.24Å; E179-Y186 PolarHBondContact O-OH 3.48Å
180	E	91.6	Very high	92.6	Very high	146 Å²	146	65.6 Å²	65.6	68%	0.682	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-20.7	-177.5	-63.5	-172	171.7	0	0	113.4	I102	I102-E180 HydrophobicContact CG2-CG 4.24Å
181	T	93.9	Very high	92.6	Very high	45 Å²	45	59.4 Å²	59.4	28%	0.276	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	0.7	-175.9	57.6	0	0	0	0	114.1	R97 W98 E179	R97-T181 PolarHBondContact NH1-OG1 3.29Å; R97-T181 VanDerWaalsContact NH2-CG2 3.26Å; R97-T181 PolarHBondContact NH2-OG1 2.91Å; W98-T181 PolarHBondContact N-O 2.95Å; W98-T181 WeakPolarHBondContact O-CA 3.49Å; E179-T181 PolarHBondContact O-N 3.27Å
182	E	92.2	Very high	92.6	Very high	66 Å²	66	59.6 Å²	59.6	31%	0.308	31%	0.305	S	S	.	.			trans	-125.3	138.9	174.6	-63.2	-167.7	164.9	0	0	109.5	E179 R184 Y186	E179-E182 PolarHBondContact O-N 2.73Å; E179-E182 VanDerWaalsContact O-O 3.11Å; E182-R184 IonicContact OE2-NH1 3.78Å; E182-Y186 WeakPolarHBondContact CB-OH 3.39Å
183	C	94.5	Very high	92.7	Very high	29 Å²	29	62.6 Å²	62.6	20%	0.196	31%	0.313	C	S	.	.			trans	-112.3	103.6	173.6	-172.4	0	0	0	0	110.5	W98 C105	W98-C183 HydrophobicContact CB-CB 3.9Å; W98-C183 HydrophobicContact CD2-CB 3.45Å; W98-C183 VanDerWaalsContact CD2-CB 3.45Å; W98-C183 HydrophobicContact CE3-CB 3.47Å; W98-C183 VanDerWaalsContact CE3-CB 3.47Å; W98-C183 HydrophobicContact CG-CB 3.62Å; W98-C183 HydrophobicContact CZ3-CB 4.17Å; C105-C183 WeakPolarHBondContact CA-SG 3.38Å; C105-C183 HydrophobicContact CB-CB 3.9Å; C105-C183 WeakPolarHBondContact CB-SG 3.13Å; C105-C183 WeakPolarHBondContact SG-CA 3.33Å; C105-C183 WeakPolarHBondContact SG-CB 3.48Å; C105-C183 CovalentContact SG-SG 2.04Å; C105-C183 PolarHBondContact SG-SG 3.27Å
184	R	92.3	Very high	92.8	Very high	118 Å²	118	63 Å²	63	45%	0.445	32%	0.316	S	S	.	.	S	Bend	trans	-151.2	172.1	-177.8	60.2	-177	-75	-179.1	-2.6	111	N173 E182 Y186	N173-R184 PolarHBondContact ND2-O 3.2Å; E182-R184 IonicContact OE2-NH1 3.78Å; R184-Y186 HydrophobicContact CG-CD2 4.01Å; R184-Y186 HydrophobicContact CG-CE1 4.07Å; R184-Y186 HydrophobicContact CG-CE2 3.47Å; R184-Y186 VanDerWaalsContact CG-CE2 3.47Å; R184-Y186 HydrophobicContact CG-CG 4.5Å; R184-Y186 VanDerWaalsContact CG-CZ 3.49Å; R184-Y186 VanDerWaalsContact O-CD2 3.3Å; R184-Y186 WeakPolarHBondContact O-CD2 3.5Å
185	F	92.2	Very high	92.9	Very high	32 Å²	32	59 Å²	59	14%	0.14	30%	0.295	C	S	.	.			trans	-78.5	120.6	168.7	-55	-74.3	0	0	0	109.5	C109 V113 L168 F190 L191	C109-F185 HydrophobicContact CB-CE1 3.82Å; C109-F185 HydrophobicContact CB-CZ 4.26Å; V113-F185 HydrophobicContact CG2-CE1 3.92Å; V113-F185 HydrophobicContact CG2-CZ 3.88Å; L168-F185 HydrophobicContact CD1-CE1 3.94Å; L168-F185 HydrophobicContact CD2-CD1 4.06Å; L168-F185 HydrophobicContact CD2-CE1 4.2Å; F185-F190 HydrophobicContact CD1-CD1 4.28Å; F185-F190 HydrophobicContact CD1-CE1 4.01Å; F185-F190 HydrophobicContact CE1-CE1 4.08Å; F185-L191 HydrophobicContact CB-CD1 4.22Å; F185-L191 HydrophobicContact CB-CD2 4.3Å; F185-L191 HydrophobicContact CD2-CD1 4Å; F185-L191 HydrophobicContact CG-CD1 4.11Å
186	Y	91.7	Very high	93.2	Very high	22 Å²	22	61.4 Å²	61.4	9%	0.086	30%	0.302	C	S	.	.			trans	-102.4	-25.3	177.5	-71	-88	0	0	0	112.7	N173 V175 R178 E179 E182 R184 A188	N173-Y186 PolarHBondContact OD1-N 2.97Å; V175-Y186 VanDerWaalsContact CG2-CB 3.46Å; V175-Y186 HydrophobicContact CG2-CD1 4.42Å; V175-Y186 HydrophobicContact CG2-CG 4.19Å; R178-Y186 HydrophobicContact CB-CD2 4.34Å; R178-Y186 HydrophobicContact CB-CE2 4.43Å; R178-Y186 HydrophobicContact CB-CG 4.4Å; R178-Y186 HydrophobicContact CG-CD2 3.93Å; R178-Y186 HydrophobicContact CG-CE2 3.77Å; R178-Y186 HydrophobicContact CG-CG 4.48Å; E179-Y186 PolarHBondContact N-OH 3.24Å; E179-Y186 PolarHBondContact O-OH 3.48Å; E182-Y186 WeakPolarHBondContact CB-OH 3.39Å; R184-Y186 HydrophobicContact CG-CD2 4.01Å; R184-Y186 HydrophobicContact CG-CE1 4.07Å; R184-Y186 HydrophobicContact CG-CE2 3.47Å; R184-Y186 VanDerWaalsContact CG-CE2 3.47Å; R184-Y186 HydrophobicContact CG-CG 4.5Å; R184-Y186 VanDerWaalsContact CG-CZ 3.49Å; R184-Y186 VanDerWaalsContact O-CD2 3.3Å; R184-Y186 WeakPolarHBondContact O-CD2 3.5Å; Y186-A188 PolarHBondContact O-N 3.43Å
187	N	93.3	Very high	93.3	Very high	35 Å²	35	57.3 Å²	57.3	19%	0.187	28%	0.279	C	S	.	.			trans	-85.1	107.2	179.2	-171.1	-50.6	0	0	0	111.2	M172 D189 F190 L191	M172-N187 VanDerWaalsContact O-CB 3.28Å; M172-N187 WeakPolarHBondContact O-CB 3.5Å; M172-N187 PolarHBondContact O-ND2 3.49Å; N187-D189 VanDerWaalsContact C-N 3.34Å; N187-D189 PolarHBondContact O-N 2.97Å; N187-D189 WeakPolarHBondContact OD1-CB 3.29Å; N187-D189 PolarHBondContact OD1-N 3.14Å; N187-F190 HydrophobicContact CB-CB 3.97Å; N187-F190 PolarHBondContact O-N 3.03Å; N187-F190 PolarHBondContact OD1-N 3.35Å; N187-L191 PolarHBondContact O-N 3.03Å
188	A	93	Very high	93.5	Very high	14 Å²	14	53.5 Å²	53.5	12%	0.116	25%	0.252	C	S	.	.	H	α-helix	trans	-60.4	-40.9	-179.8	0	0	0	0	0	112.9	Y186 L191 I192 L526 K527	Y186-A188 PolarHBondContact O-N 3.43Å; A188-L191 PolarHBondContact O-N 3.03Å; A188-I192 VanDerWaalsContact O-CG1 3.27Å; A188-I192 WeakPolarHBondContact O-CG1 3.48Å; A188-I192 PolarHBondContact O-N 3.31Å; A188-L526 HydrophobicContact CB-CB 4.37Å; A188-L526 HydrophobicContact CB-CD2 4.03Å; A188-L526 HydrophobicContact CB-CG 4.25Å; A188-K527 HydrophobicContact CB-CB 4.24Å
189	D	93.9	Very high	93.7	Very high	68 Å²	68	51.9 Å²	51.9	36%	0.364	25%	0.246	S	C	.	.	H	α-helix	trans	-64.2	-48	-179.1	-72	-25.8	0	0	0	111.1	N187 L191 I192 Y193 K527	N187-D189 VanDerWaalsContact C-N 3.34Å; N187-D189 PolarHBondContact O-N 2.97Å; N187-D189 WeakPolarHBondContact OD1-CB 3.29Å; N187-D189 PolarHBondContact OD1-N 3.14Å; D189-L191 VanDerWaalsContact C-N 3.3Å; D189-L191 PolarHBondContact O-N 3.32Å; D189-I192 PolarHBondContact O-N 2.86Å; D189-Y193 HydrophobicContact CB-CD2 4.26Å; D189-Y193 HydrophobicContact CB-CE2 4.05Å; D189-Y193 WeakPolarHBondContact O-CD2 3.35Å; D189-Y193 PolarHBondContact O-N 3.46Å; D189-K527 WeakPolarHBondContact OD1-CE 3.49Å; D189-K527 IonicContact OD1-NZ 3.28Å; D189-K527 PolarHBondContact OD1-NZ 3.43Å
190	F	95.3	Very high	94	Very high	12 Å²	12	49.9 Å²	49.9	5%	0.053	23%	0.234	C	C	.	.	H	α-helix	trans	-55.2	-48.7	173.9	175.6	-96.9	0	0	0	110.8	V113 P167 L168 M172 F185 N187 I192 Y193 S194	V113-F190 HydrophobicContact CG2-CE1 4.47Å; V113-F190 HydrophobicContact CG2-CZ 4.41Å; P167-F190 HydrophobicContact CB-CD2 4.09Å; P167-F190 HydrophobicContact CB-CE2 4.09Å; P167-F190 HydrophobicContact CG-CD2 4.4Å; P167-F190 HydrophobicContact CG-CE2 4.15Å; L168-F190 HydrophobicContact CD1-CE1 3.73Å; L168-F190 HydrophobicContact CD1-CZ 3.55Å; L168-F190 HydrophobicContact CD2-CD1 3.86Å; L168-F190 HydrophobicContact CD2-CE1 3.53Å; L168-F190 HydrophobicContact CD2-CE2 4.48Å; L168-F190 HydrophobicContact CD2-CG 4.48Å; L168-F190 HydrophobicContact CD2-CZ 3.88Å; L168-F190 HydrophobicContact CG-CD1 4.4Å; L168-F190 HydrophobicContact CG-CE1 3.69Å; L168-F190 HydrophobicContact CG-CE2 4.06Å; L168-F190 HydrophobicContact CG-CZ 3.49Å; L168-F190 VanDerWaalsContact CG-CZ 3.49Å; M172-F190 HydrophobicContact CG-CB 4.28Å; M172-F190 HydrophobicContact SD-CB 3.84Å; M172-F190 HydrophobicContact SD-CD2 3.7Å; M172-F190 HydrophobicContact SD-CG 4.16Å; F185-F190 HydrophobicContact CD1-CD1 4.28Å; F185-F190 HydrophobicContact CD1-CE1 4.01Å; F185-F190 HydrophobicContact CE1-CE1 4.08Å; N187-F190 HydrophobicContact CB-CB 3.97Å; N187-F190 PolarHBondContact O-N 3.03Å; N187-F190 PolarHBondContact OD1-N 3.35Å; F190-I192 PolarHBondContact O-N 2.96Å; F190-Y193 PolarHBondContact O-N 3.47Å; F190-S194 WeakPolarHBondContact O-CB 3.43Å; F190-S194 PolarHBondContact O-N 3.45Å; F190-S194 PolarHBondContact O-OG 3.09Å
191	L	94.5	Very high	94.2	Very high	17 Å²	17	47 Å²	47	9%	0.089	23%	0.227	C	C	.	.	H	α-helix	trans	-63.8	-40.8	-176.5	-172.5	59.2	0	0	0	111.8	F185 N187 A188 D189 S194 S195 N519 A523	F185-L191 HydrophobicContact CB-CD1 4.22Å; F185-L191 HydrophobicContact CB-CD2 4.3Å; F185-L191 HydrophobicContact CD2-CD1 4Å; F185-L191 HydrophobicContact CG-CD1 4.11Å; N187-L191 PolarHBondContact O-N 3.03Å; A188-L191 PolarHBondContact O-N 3.03Å; D189-L191 VanDerWaalsContact C-N 3.3Å; D189-L191 PolarHBondContact O-N 3.32Å; L191-S194 PolarHBondContact O-OG 2.79Å; L191-S195 WeakPolarHBondContact O-CB 3.41Å; L191-S195 PolarHBondContact O-N 2.94Å; L191-S195 VanDerWaalsContact O-N 3.08Å; L191-S195 PolarHBondContact O-OG 3.46Å; L191-N519 HydrophobicContact CD1-CB 4.34Å; L191-N519 HydrophobicContact CD2-CB 4.41Å; L191-A523 HydrophobicContact CB-CB 4.01Å; L191-A523 HydrophobicContact CD2-CB 3.73Å; L191-A523 HydrophobicContact CG-CB 3.91Å
192	I	95.5	Very high	94.3	Very high	26 Å²	26	45.4 Å²	45.4	13%	0.133	22%	0.217	C	C	.	.	H	α-helix	trans	-62.6	-60.3	174.6	-67.7	166.5	0	0	0	109.8	A188 D189 F190 S194 S195 F196 A523 I524 K527	A188-I192 VanDerWaalsContact O-CG1 3.27Å; A188-I192 WeakPolarHBondContact O-CG1 3.48Å; A188-I192 PolarHBondContact O-N 3.31Å; D189-I192 PolarHBondContact O-N 2.86Å; F190-I192 PolarHBondContact O-N 2.96Å; I192-S194 PolarHBondContact O-N 3.1Å; I192-S195 PolarHBondContact O-N 2.81Å; I192-F196 HydrophobicContact CG2-CD2 3.94Å; I192-F196 HydrophobicContact CG2-CE2 3.96Å; I192-F196 VanDerWaalsContact O-CD2 3.28Å; I192-F196 WeakPolarHBondContact O-CD2 3.45Å; I192-F196 PolarHBondContact O-N 3.25Å; I192-A523 HydrophobicContact CD1-CB 4.27Å; I192-A523 HydrophobicContact CG1-CB 3.63Å; I192-I524 HydrophobicContact CD1-CG1 4.29Å; I192-K527 HydrophobicContact CD1-CD 4.12Å
193	Y	95.1	Very high	94.6	Very high	148 Å²	148	43.1 Å²	43.1	58%	0.58	21%	0.206	S	C	*	.	H	α-helix	trans	-62.3	-43.7	-173.2	-66.5	-55.2	0	0	0	112.6	D189 F190 S195 F196 I197	D189-Y193 HydrophobicContact CB-CD2 4.26Å; D189-Y193 HydrophobicContact CB-CE2 4.05Å; D189-Y193 WeakPolarHBondContact O-CD2 3.35Å; D189-Y193 PolarHBondContact O-N 3.46Å; F190-Y193 PolarHBondContact O-N 3.47Å; Y193-S195 PolarHBondContact O-N 3.05Å; Y193-F196 PolarHBondContact O-N 3.4Å; Y193-I197 WeakPolarHBondContact O-CG1 3.28Å; Y193-I197 PolarHBondContact O-N 3.47Å
194	S	94.2	Very high	94.7	Very high	10 Å²	10	45.8 Å²	45.8	7%	0.07	22%	0.224	C	C	.	.	H	α-helix	trans	-65.1	-36.8	177.6	63.2	0	0	0	0	112.2	F190 L191 I192 I197 S198	F190-S194 WeakPolarHBondContact O-CB 3.43Å; F190-S194 PolarHBondContact O-N 3.45Å; F190-S194 PolarHBondContact O-OG 3.09Å; L191-S194 PolarHBondContact O-OG 2.79Å; I192-S194 PolarHBondContact O-N 3.1Å; S194-I197 PolarHBondContact O-N 2.96Å; S194-S198 WeakPolarHBondContact O-CB 3.07Å; S194-S198 PolarHBondContact O-N 3.19Å; S194-S198 PolarHBondContact O-OG 3.04Å
195	S	95.7	Very high	94.9	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.021	22%	0.22	C	C	.	.	H	α-helix	trans	-65	-40.2	175	-64.7	0	0	0	0	111.9	L191 I192 Y193 F199 W200	L191-S195 WeakPolarHBondContact O-CB 3.41Å; L191-S195 PolarHBondContact O-N 2.94Å; L191-S195 VanDerWaalsContact O-N 3.08Å; L191-S195 PolarHBondContact O-OG 3.46Å; I192-S195 PolarHBondContact O-N 2.81Å; Y193-S195 PolarHBondContact O-N 3.05Å; S195-F199 WeakPolarHBondContact O-CA 3.19Å; S195-F199 WeakPolarHBondContact O-CB 3.44Å; S195-F199 PolarHBondContact O-N 3.49Å; S195-W200 PolarHBondContact O-N 3.08Å; S195-W200 VanDerWaalsContact O-N 3.09Å
196	F	95.9	Very high	95.1	Very high	96 Å²	96	41.4 Å²	41.4	42%	0.421	21%	0.214	S	C	.	.	I	π-helix	trans	-65.9	-47	176.8	-86.6	-82.8	0	0	0	112.4	I192 Y193 W200 V201 T520	I192-F196 HydrophobicContact CG2-CD2 3.94Å; I192-F196 HydrophobicContact CG2-CE2 3.96Å; I192-F196 VanDerWaalsContact O-CD2 3.28Å; I192-F196 WeakPolarHBondContact O-CD2 3.45Å; I192-F196 PolarHBondContact O-N 3.25Å; Y193-F196 PolarHBondContact O-N 3.4Å; F196-W200 HydrophobicContact CD1-CB 3.9Å; F196-W200 HydrophobicContact CD1-CG 4.2Å; F196-W200 HydrophobicContact CE1-CB 4.35Å; F196-W200 HydrophobicContact CE1-CG 4.36Å; F196-W200 PolarHBondContact O-N 3.15Å; F196-V201 WeakPolarHBondContact O-CB 3.42Å; F196-V201 WeakPolarHBondContact O-CG2 3.34Å; F196-V201 PolarHBondContact O-N 3.4Å; F196-T520 HydrophobicContact CE2-CG2 4.43Å
197	I	92.9	Very high	95.3	Very high	96 Å²	96	43 Å²	43	49%	0.492	23%	0.226	S	C	.	.	I	π-helix	trans	-68.3	-43.6	-178.8	-68	168.4	0	0	0	111.1	Y193 S194 P202	Y193-I197 WeakPolarHBondContact O-CG1 3.28Å; Y193-I197 PolarHBondContact O-N 3.47Å; S194-I197 PolarHBondContact O-N 2.96Å; I197-P202 WeakPolarHBondContact O-CD 3.45Å; I197-P202 VanDerWaalsContact O-CG 3.26Å; I197-P202 WeakPolarHBondContact O-CG 3.33Å
198	S	92.3	Very high	95.5	Very high	4 Å²	4	48 Å²	48	3%	0.028	24%	0.243	C	C	.	.	I	π-helix	trans	-88.7	-23.9	-170.5	-54.5	0	0	0	0	113.7	T117 I120 T164 S194	T117-S198 WeakPolarHBondContact OG1-CB 3.47Å; T117-S198 PolarHBondContact OG1-OG 2.98Å; I120-S198 VanDerWaalsContact CD1-O 3.24Å; I120-S198 WeakPolarHBondContact CD1-O 3.21Å; I120-S198 WeakPolarHBondContact CG2-O 3.19Å; T164-S198 WeakPolarHBondContact CG2-OG 3.28Å; S194-S198 WeakPolarHBondContact O-CB 3.07Å; S194-S198 PolarHBondContact O-N 3.19Å; S194-S198 PolarHBondContact O-OG 3.04Å
199	F	96.4	Very high	95.7	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.245	C	C	.	.	I	π-helix	trans	-127.5	-60.7	-176.2	177.5	-102.7	0	0	0	113.8	I120 S195 V201 P202 L203 F508 W512 L513 F516	I120-F199 HydrophobicContact CD1-CB 4.45Å; I120-F199 HydrophobicContact CD1-CD2 4.3Å; S195-F199 WeakPolarHBondContact O-CA 3.19Å; S195-F199 WeakPolarHBondContact O-CB 3.44Å; S195-F199 PolarHBondContact O-N 3.49Å; F199-V201 PolarHBondContact O-N 2.95Å; F199-P202 WeakPolarHBondContact O-CD 3.48Å; F199-L203 HydrophobicContact CE1-CD2 3.82Å; F199-L203 HydrophobicContact CE2-CD2 4.49Å; F199-L203 HydrophobicContact CZ-CD2 3.72Å; F199-L203 WeakPolarHBondContact O-CB 3.37Å; F199-L203 PolarHBondContact O-N 3.01Å; F199-F508 AromaticContact CD2-CZ 3.83Å; F199-F508 HydrophobicContact CD2-CZ 3.83Å; F199-F508 HydrophobicContact CE2-CE1 4.01Å; F199-F508 HydrophobicContact CE2-CE2 4.44Å; F199-F508 AromaticContact CE2-CZ 3.63Å; F199-F508 HydrophobicContact CE2-CZ 3.63Å; F199-W512 HydrophobicContact CD2-CB 4.26Å; F199-W512 HydrophobicContact CE2-CB 3.65Å; F199-W512 HydrophobicContact CZ-CB 4.43Å; F199-L513 HydrophobicContact CE1-CD1 3.89Å; F199-L513 HydrophobicContact CZ-CB 4.13Å; F199-L513 HydrophobicContact CZ-CD1 3.93Å; F199-F516 HydrophobicContact CB-CB 4.39Å; F199-F516 HydrophobicContact CB-CD1 3.65Å; F199-F516 HydrophobicContact CB-CD2 3.72Å; F199-F516 HydrophobicContact CB-CE1 3.72Å; F199-F516 HydrophobicContact CB-CE2 3.77Å; F199-F516 HydrophobicContact CB-CG 3.65Å; F199-F516 HydrophobicContact CB-CZ 3.79Å; F199-F516 HydrophobicContact CD1-CB 3.32Å; F199-F516 HydrophobicContact CD1-CD1 4.21Å; F199-F516 AromaticContact CD1-CD2 3.72Å; F199-F516 HydrophobicContact CD1-CD2 3.72Å; F199-F516 AromaticContact CD1-CG 3.5Å; F199-F516 HydrophobicContact CD1-CG 3.5Å; F199-F516 VanDerWaalsContact CD1-CG 3.5Å; F199-F516 HydrophobicContact CD2-CB 4.39Å; F199-F516 AromaticContact CD2-CD2 3.16Å; F199-F516 HydrophobicContact CD2-CD2 3.16Å; F199-F516 AromaticContact CD2-CE2 3.42Å; F199-F516 HydrophobicContact CD2-CE2 3.42Å; F199-F516 VanDerWaalsContact CD2-CE2 3.42Å; F199-F516 AromaticContact CD2-CG 3.84Å; F199-F516 HydrophobicContact CD2-CG 3.84Å; F199-F516 HydrophobicContact CD2-CZ 4.28Å; F199-F516 HydrophobicContact CE1-CB 3.55Å; F199-F516 HydrophobicContact CE1-CD2 4.09Å; F199-F516 HydrophobicContact CE1-CG 4.06Å; F199-F516 AromaticContact CE2-CD2 3.6Å; F199-F516 HydrophobicContact CE2-CD2 3.6Å; F199-F516 HydrophobicContact CE2-CE2 4.14Å; F199-F516 HydrophobicContact CE2-CG 4.36Å; F199-F516 HydrophobicContact CG-CB 3.78Å; F199-F516 AromaticContact CG-CD1 3.92Å; F199-F516 HydrophobicContact CG-CD1 3.92Å; F199-F516 AromaticContact CG-CD2 3.22Å; F199-F516 HydrophobicContact CG-CD2 3.22Å; F199-F516 HydrophobicContact CG-CE1 4.32Å; F199-F516 AromaticContact CG-CE2 3.67Å; F199-F516 HydrophobicContact CG-CE2 3.67Å; F199-F516 AromaticContact CG-CG 3.36Å; F199-F516 HydrophobicContact CG-CG 3.36Å; F199-F516 HydrophobicContact CG-CZ 4.21Å; F199-F516 HydrophobicContact CZ-CB 4.18Å; F199-F516 HydrophobicContact CZ-CD2 4.03Å; F199-F516 HydrophobicContact CZ-CG 4.45Å
200	W	97.5	Very high	95.7	Very high	61 Å²	61	46.2 Å²	46.2	23%	0.231	23%	0.23	C	C	.	.	I	π-helix	trans	-64.2	-45.1	-169.4	-66.1	111.3	0	0	0	113.2	S195 F196 L203 C204 L513 T520	S195-W200 PolarHBondContact O-N 3.08Å; S195-W200 VanDerWaalsContact O-N 3.09Å; F196-W200 HydrophobicContact CD1-CB 3.9Å; F196-W200 HydrophobicContact CD1-CG 4.2Å; F196-W200 HydrophobicContact CE1-CB 4.35Å; F196-W200 HydrophobicContact CE1-CG 4.36Å; F196-W200 PolarHBondContact O-N 3.15Å; W200-L203 HydrophobicContact CE3-CD2 4.18Å; W200-L203 HydrophobicContact CZ3-CD2 4.27Å; W200-C204 PolarHBondContact O-N 3.44Å; W200-C204 VanDerWaalsContact O-N 3.1Å; W200-C204 PolarHBondContact O-SG 3.1Å; W200-C204 VanDerWaalsContact O-SG 3.34Å; W200-L513 HydrophobicContact CH2-CD1 3.62Å; W200-L513 HydrophobicContact CZ3-CD1 3.64Å; W200-T520 PolarHBondContact NE1-OG1 3.06Å
201	V	96.5	Very high	95.7	Very high	86 Å²	86	49 Å²	49	52%	0.521	25%	0.251	S	S	.	.	H	α-helix	trans	-66.3	-52.3	176.9	170.6	0	0	0	0	111	F196 F199 L203 C204 V205	F196-V201 WeakPolarHBondContact O-CB 3.42Å; F196-V201 WeakPolarHBondContact O-CG2 3.34Å; F196-V201 PolarHBondContact O-N 3.4Å; F199-V201 PolarHBondContact O-N 2.95Å; V201-L203 VanDerWaalsContact C-N 3.3Å; V201-L203 PolarHBondContact O-N 2.9Å; V201-C204 PolarHBondContact O-N 3.31Å; V201-V205 WeakPolarHBondContact O-CG2 3.42Å; V201-V205 PolarHBondContact O-N 3.44Å
202	P	96.3	Very high	95.8	Very high	11 Å²	11	49 Å²	49	7%	0.071	25%	0.253	C	S	.	.	H	α-helix	trans	-56.2	-38.9	174.3	-30	37.2	0	0	0	114.4	I120 I197 F199 V205 M206	I120-P202 HydrophobicContact CG2-CB 3.49Å; I120-P202 VanDerWaalsContact CG2-CB 3.49Å; I120-P202 HydrophobicContact CG2-CG 4.13Å; I197-P202 WeakPolarHBondContact O-CD 3.45Å; I197-P202 VanDerWaalsContact O-CG 3.26Å; I197-P202 WeakPolarHBondContact O-CG 3.33Å; F199-P202 WeakPolarHBondContact O-CD 3.48Å; P202-V205 PolarHBondContact O-N 2.91Å; P202-M206 WeakPolarHBondContact O-CB 3.38Å; P202-M206 VanDerWaalsContact O-CG 3.25Å; P202-M206 WeakPolarHBondContact O-CG 3.26Å; P202-M206 PolarHBondContact O-N 3.06Å
203	L	97	Very high	95.7	Very high	17 Å²	17	47.9 Å²	47.9	9%	0.089	25%	0.248	C	C	.	.	H	α-helix	trans	-59.7	-50.6	176.2	171.7	64.7	0	0	0	111	F199 W200 V201 V205 M206 V207 F508 I509 L513	F199-L203 HydrophobicContact CE1-CD2 3.82Å; F199-L203 HydrophobicContact CE2-CD2 4.49Å; F199-L203 HydrophobicContact CZ-CD2 3.72Å; F199-L203 WeakPolarHBondContact O-CB 3.37Å; F199-L203 PolarHBondContact O-N 3.01Å; W200-L203 HydrophobicContact CE3-CD2 4.18Å; W200-L203 HydrophobicContact CZ3-CD2 4.27Å; V201-L203 VanDerWaalsContact C-N 3.3Å; V201-L203 PolarHBondContact O-N 2.9Å; L203-V205 VanDerWaalsContact C-N 3.29Å; L203-V205 PolarHBondContact O-N 3.17Å; L203-M206 PolarHBondContact O-N 3.4Å; L203-V207 HydrophobicContact CD1-CG2 3.98Å; L203-V207 HydrophobicContact CG-CG2 4.5Å; L203-V207 WeakPolarHBondContact O-CB 3.18Å; L203-V207 WeakPolarHBondContact O-CG2 3.4Å; L203-V207 PolarHBondContact O-N 2.8Å; L203-F508 HydrophobicContact CD1-CD1 4.32Å; L203-F508 HydrophobicContact CD1-CE1 3.86Å; L203-I509 HydrophobicContact CD1-CD1 4.04Å; L203-I509 HydrophobicContact CD1-CG1 3.65Å; L203-L513 HydrophobicContact CD2-CD1 4.27Å
204	C	97.5	Very high	95.6	Very high	85 Å²	85	45.3 Å²	45.3	57%	0.574	24%	0.24	S	C	*	.	H	α-helix	trans	-58.3	-43.4	177	-73.2	0	0	0	0	111.6	W200 V201 V207 Y208	W200-C204 PolarHBondContact O-N 3.44Å; W200-C204 VanDerWaalsContact O-N 3.1Å; W200-C204 PolarHBondContact O-SG 3.1Å; W200-C204 VanDerWaalsContact O-SG 3.34Å; V201-C204 PolarHBondContact O-N 3.31Å; C204-V207 PolarHBondContact O-N 2.93Å; C204-Y208 WeakPolarHBondContact O-CB 3.47Å; C204-Y208 PolarHBondContact O-N 3.01Å
205	V	96.7	Very high	95.6	Very high	58 Å²	58	51.3 Å²	51.3	35%	0.352	26%	0.262	S	S	.	.	H	α-helix	trans	-62.5	-45.6	176.8	171.5	0	0	0	0	111.5	V201 P202 L203 Y208 F209	V201-V205 WeakPolarHBondContact O-CG2 3.42Å; V201-V205 PolarHBondContact O-N 3.44Å; P202-V205 PolarHBondContact O-N 2.91Å; L203-V205 VanDerWaalsContact C-N 3.29Å; L203-V205 PolarHBondContact O-N 3.17Å; V205-Y208 PolarHBondContact O-N 3.34Å; V205-F209 HydrophobicContact CG1-CD2 3.58Å; V205-F209 HydrophobicContact CG1-CE2 3.35Å; V205-F209 HydrophobicContact CG1-CZ 4.44Å; V205-F209 VanDerWaalsContact O-CD2 3.26Å; V205-F209 WeakPolarHBondContact O-CD2 3.46Å; V205-F209 PolarHBondContact O-N 3.17Å
206	M	95.5	Very high	95.3	Very high	1 Å²	1	53 Å²	53	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-61.5	-49	177	-77.9	171.4	59.4	0	0	111.9	L123 A124 P202 L203 Y208 F209 C210 L505 F508	L123-M206 HydrophobicContact CB-CE 3.61Å; L123-M206 HydrophobicContact CB-SD 3.81Å; L123-M206 HydrophobicContact CD1-CE 4.32Å; A124-M206 VanDerWaalsContact CA-CG 3.43Å; A124-M206 HydrophobicContact CB-CG 3.71Å; A124-M206 HydrophobicContact CB-SD 4.24Å; P202-M206 WeakPolarHBondContact O-CB 3.38Å; P202-M206 VanDerWaalsContact O-CG 3.25Å; P202-M206 WeakPolarHBondContact O-CG 3.26Å; P202-M206 PolarHBondContact O-N 3.06Å; L203-M206 PolarHBondContact O-N 3.4Å; M206-Y208 VanDerWaalsContact C-N 3.31Å; M206-Y208 PolarHBondContact O-N 3.45Å; M206-F209 PolarHBondContact O-N 3.5Å; M206-C210 VanDerWaalsContact O-CB 3.27Å; M206-C210 WeakPolarHBondContact O-CB 3.28Å; M206-C210 PolarHBondContact O-N 3.46Å; M206-C210 PolarHBondContact O-SG 2.91Å; M206-L505 HydrophobicContact CB-CD1 4.07Å; M206-L505 HydrophobicContact CE-CD1 3.75Å; M206-F508 HydrophobicContact CE-CB 4.4Å; M206-F508 HydrophobicContact CE-CD1 3.44Å; M206-F508 VanDerWaalsContact CE-CD1 3.44Å; M206-F508 HydrophobicContact CE-CE1 3.78Å; M206-F508 HydrophobicContact CE-CG 3.84Å; M206-F508 HydrophobicContact CE-CZ 4.49Å; M206-F508 HydrophobicContact SD-CD1 4.27Å; M206-F508 HydrophobicContact SD-CE1 3.98Å; M206-F508 HydrophobicContact SD-CZ 4.41Å
207	V	97.1	Very high	94.9	Very high	56 Å²	56	49.1 Å²	49.1	34%	0.339	25%	0.253	S	S	.	.	H	α-helix	trans	-60.2	-43.5	178.5	170.6	0	0	0	0	110.5	L203 C204 S211 L505 I509	L203-V207 HydrophobicContact CD1-CG2 3.98Å; L203-V207 HydrophobicContact CG-CG2 4.5Å; L203-V207 WeakPolarHBondContact O-CB 3.18Å; L203-V207 WeakPolarHBondContact O-CG2 3.4Å; L203-V207 PolarHBondContact O-N 2.8Å; C204-V207 PolarHBondContact O-N 2.93Å; V207-S211 VanDerWaalsContact O-CB 3.25Å; V207-S211 WeakPolarHBondContact O-CB 3.33Å; V207-S211 PolarHBondContact O-N 3.22Å; V207-S211 PolarHBondContact O-OG 2.86Å; V207-L505 HydrophobicContact CG2-CD1 4.39Å; V207-L505 HydrophobicContact CG2-CD2 4.34Å; V207-I509 HydrophobicContact CG2-CD1 4.14Å
208	Y	97.3	Very high	94.8	Very high	140 Å²	140	52.2 Å²	52.2	55%	0.549	26%	0.258	S	S	.	.	H	α-helix	trans	-58.7	-54.5	175.1	170.8	-99.5	0	0	0	111.7	C204 V205 M206 C210 S211 A212	C204-Y208 WeakPolarHBondContact O-CB 3.47Å; C204-Y208 PolarHBondContact O-N 3.01Å; V205-Y208 PolarHBondContact O-N 3.34Å; M206-Y208 VanDerWaalsContact C-N 3.31Å; M206-Y208 PolarHBondContact O-N 3.45Å; Y208-C210 PolarHBondContact O-N 3.32Å; Y208-S211 PolarHBondContact O-N 3.46Å; Y208-A212 VanDerWaalsContact O-CB 3.28Å; Y208-A212 WeakPolarHBondContact O-CB 3.37Å; Y208-A212 PolarHBondContact O-N 2.98Å
209	F	96.6	Very high	94.7	Very high	35 Å²	35	55.8 Å²	55.8	15%	0.154	27%	0.274	C	S	.	.	H	α-helix	trans	-66.4	-36.5	-177.1	-73.4	-48.6	0	0	0	113	F128 Y131 V205 M206 T213	F128-F209 HydrophobicContact CB-CD2 3.89Å; F128-F209 HydrophobicContact CB-CE2 3.84Å; F128-F209 HydrophobicContact CB-CG 4.41Å; F128-F209 HydrophobicContact CB-CZ 4.36Å; F128-F209 HydrophobicContact CD2-CD1 4.17Å; F128-F209 HydrophobicContact CD2-CD2 4.35Å; F128-F209 AromaticContact CD2-CE1 3.62Å; F128-F209 HydrophobicContact CD2-CE1 3.62Å; F128-F209 AromaticContact CD2-CE2 3.79Å; F128-F209 HydrophobicContact CD2-CE2 3.79Å; F128-F209 AromaticContact CD2-CZ 3.41Å; F128-F209 HydrophobicContact CD2-CZ 3.41Å; F128-F209 VanDerWaalsContact CD2-CZ 3.41Å; F128-F209 HydrophobicContact CE2-CE1 4.22Å; F128-F209 HydrophobicContact CE2-CZ 4.09Å; F128-F209 HydrophobicContact CG-CE2 4.19Å; F128-F209 HydrophobicContact CG-CZ 4.26Å; Y131-F209 AromaticContact CD1-CD1 3.81Å; Y131-F209 HydrophobicContact CD1-CD1 3.81Å; Y131-F209 AromaticContact CD1-CE1 3.97Å; Y131-F209 HydrophobicContact CD1-CE1 3.97Å; Y131-F209 HydrophobicContact CE1-CD1 4.34Å; Y131-F209 HydrophobicContact CE1-CE1 4.24Å; Y131-F209 AromaticContact CG-CD1 3.88Å; Y131-F209 HydrophobicContact CG-CD1 3.88Å; V205-F209 HydrophobicContact CG1-CD2 3.58Å; V205-F209 HydrophobicContact CG1-CE2 3.35Å; V205-F209 HydrophobicContact CG1-CZ 4.44Å; V205-F209 VanDerWaalsContact O-CD2 3.26Å; V205-F209 WeakPolarHBondContact O-CD2 3.46Å; V205-F209 PolarHBondContact O-N 3.17Å; M206-F209 PolarHBondContact O-N 3.5Å; F209-T213 VanDerWaalsContact O-CB 3.24Å; F209-T213 WeakPolarHBondContact O-CB 3.46Å; F209-T213 PolarHBondContact O-N 3.14Å; F209-T213 PolarHBondContact O-OG1 3.48Å
210	C	94.5	Very high	94.2	Very high	9 Å²	9	58.7 Å²	58.7	6%	0.061	29%	0.287	C	S	.	.	H	α-helix	trans	-64.5	-45.6	174.6	-76.1	0	0	0	0	111.7	M206 Y208 T213 F214 L501 L505	M206-C210 VanDerWaalsContact O-CB 3.27Å; M206-C210 WeakPolarHBondContact O-CB 3.28Å; M206-C210 PolarHBondContact O-N 3.46Å; M206-C210 PolarHBondContact O-SG 2.91Å; Y208-C210 PolarHBondContact O-N 3.32Å; C210-T213 PolarHBondContact O-N 3.25Å; C210-F214 WeakPolarHBondContact O-CB 3.38Å; C210-F214 PolarHBondContact O-N 3.33Å; C210-L501 VanDerWaalsContact SG-CG 3.58Å; C210-L505 HydrophobicContact CB-CD2 3.56Å
211	S	95.5	Very high	93.6	Very high	69 Å²	69	56.7 Å²	56.7	48%	0.483	28%	0.282	S	S	.	.	H	α-helix	trans	-63.2	-44.4	177.1	-58.6	0	0	0	0	111.4	V207 Y208 F214 Y215	V207-S211 VanDerWaalsContact O-CB 3.25Å; V207-S211 WeakPolarHBondContact O-CB 3.33Å; V207-S211 PolarHBondContact O-N 3.22Å; V207-S211 PolarHBondContact O-OG 2.86Å; Y208-S211 PolarHBondContact O-N 3.46Å; S211-F214 PolarHBondContact O-N 3.43Å; S211-Y215 WeakPolarHBondContact O-CB 3.37Å; S211-Y215 PolarHBondContact O-N 3.25Å
212	A	95.8	Very high	93.2	Very high	18 Å²	18	54.7 Å²	54.7	15%	0.149	28%	0.275	C	S	.	.	H	α-helix	trans	-64.6	-42.5	177.4	0	0	0	0	0	111.9	Y131 Y208 Y215 Q216	Y131-A212 HydrophobicContact CD2-CB 3.71Å; Y131-A212 HydrophobicContact CE2-CB 3.55Å; Y208-A212 VanDerWaalsContact O-CB 3.28Å; Y208-A212 WeakPolarHBondContact O-CB 3.37Å; Y208-A212 PolarHBondContact O-N 2.98Å; A212-Y215 PolarHBondContact O-N 3.01Å; A212-Q216 WeakPolarHBondContact O-CB 3.45Å; A212-Q216 WeakPolarHBondContact O-CG 3.41Å; A212-Q216 PolarHBondContact O-N 2.91Å
213	T	93.6	Very high	92.7	Very high	3 Å²	3	59.6 Å²	59.6	2%	0.018	30%	0.295	C	S	.	.	H	α-helix	trans	-57.9	-50.5	174.2	-61.8	0	0	0	0	110.8	R130 Y131 A134 F209 C210 Y215 Q216 I217 L501	R130-T213 HydrophobicContact CB-CG2 4.42Å; Y131-T213 WeakPolarHBondContact CA-OG1 3.5Å; Y131-T213 WeakPolarHBondContact CB-OG1 3.44Å; Y131-T213 PolarHBondContact N-OG1 3.07Å; A134-T213 HydrophobicContact CB-CG2 4.06Å; F209-T213 VanDerWaalsContact O-CB 3.24Å; F209-T213 WeakPolarHBondContact O-CB 3.46Å; F209-T213 PolarHBondContact O-N 3.14Å; F209-T213 PolarHBondContact O-OG1 3.48Å; C210-T213 PolarHBondContact O-N 3.25Å; T213-Y215 PolarHBondContact O-N 3.23Å; T213-Q216 PolarHBondContact O-N 3.39Å; T213-I217 HydrophobicContact CG2-CD1 3.86Å; T213-I217 WeakPolarHBondContact O-CG1 3.14Å; T213-I217 PolarHBondContact O-N 3.38Å; T213-I217 VanDerWaalsContact O-N 3.09Å; T213-L501 HydrophobicContact CG2-CD2 4.22Å
214	F	92.5	Very high	91.8	Very high	93 Å²	93	60.5 Å²	60.5	41%	0.408	31%	0.305	S	S	.	.	H	α-helix	trans	-60.8	-46.1	179.5	179.9	-103.5	0	0	0	112.2	C210 S211 Q216 I217 R218 T498	C210-F214 WeakPolarHBondContact O-CB 3.38Å; C210-F214 PolarHBondContact O-N 3.33Å; S211-F214 PolarHBondContact O-N 3.43Å; F214-Q216 VanDerWaalsContact C-N 3.35Å; F214-Q216 PolarHBondContact O-N 2.9Å; F214-I217 PolarHBondContact O-N 2.85Å; F214-R218 HydrophobicContact CE1-CG 4.33Å; F214-R218 HydrophobicContact CE2-CG 4.49Å; F214-R218 VanDerWaalsContact CZ-CD 3.46Å; F214-R218 HydrophobicContact CZ-CG 4.28Å; F214-R218 WeakPolarHBondContact O-CG 3.19Å; F214-R218 PolarHBondContact O-N 3.23Å; F214-R218 VanDerWaalsContact O-N 3.07Å; F214-T498 HydrophobicContact CD2-CG2 4.25Å
215	Y	93.5	Very high	90.9	Very high	137 Å²	137	63.3 Å²	63.3	54%	0.537	31%	0.307	S	S	.	.	H	α-helix	trans	-57.6	-46.7	176.8	172.6	-96.7	0	0	0	111.7	S211 A212 T213 I217 R218 K219	S211-Y215 WeakPolarHBondContact O-CB 3.37Å; S211-Y215 PolarHBondContact O-N 3.25Å; A212-Y215 PolarHBondContact O-N 3.01Å; T213-Y215 PolarHBondContact O-N 3.23Å; Y215-I217 PolarHBondContact O-N 2.9Å; Y215-R218 PolarHBondContact O-N 3.39Å; Y215-K219 HydrophobicContact CE1-CD 3.91Å; Y215-K219 WeakPolarHBondContact O-CB 3.13Å; Y215-K219 PolarHBondContact O-N 3.32Å
216	Q	90.8	Very high	90.3	Very high	39 Å²	39	69.6 Å²	69.6	18%	0.182	33%	0.325	C	S	.	.	H	α-helix	trans	-66.3	-40.4	-177.3	-67.6	-73.2	36.2	0	0	112.5	A134 N135 A212 T213 F214 R218 K219 Q220	A134-Q216 HydrophobicContact CB-CB 4.47Å; N135-Q216 VanDerWaalsContact OD1-CD 3.23Å; N135-Q216 WeakPolarHBondContact OD1-CG 3.3Å; N135-Q216 PolarHBondContact OD1-NE2 3.45Å; A212-Q216 WeakPolarHBondContact O-CB 3.45Å; A212-Q216 WeakPolarHBondContact O-CG 3.41Å; A212-Q216 PolarHBondContact O-N 2.91Å; T213-Q216 PolarHBondContact O-N 3.39Å; F214-Q216 VanDerWaalsContact C-N 3.35Å; F214-Q216 PolarHBondContact O-N 2.9Å; Q216-R218 PolarHBondContact O-N 2.68Å; Q216-K219 WeakPolarHBondContact O-CB 3.39Å; Q216-K219 PolarHBondContact O-N 2.83Å; Q216-Q220 WeakPolarHBondContact O-CG 3.19Å; Q216-Q220 PolarHBondContact O-N 3.31Å
217	I	87.9	Confident	89.3	Confident	13 Å²	13	78.4 Å²	78.4	7%	0.067	36%	0.358	C	S	.	.	H	α-helix	trans	-64.7	-41.2	177.4	-67.9	174.4	0	0	0	110.8	A134 T213 F214 Y215 Q220 S221 E494 T498	A134-I217 HydrophobicContact CB-CD1 4.21Å; A134-I217 HydrophobicContact CB-CG1 3.98Å; T213-I217 HydrophobicContact CG2-CD1 3.86Å; T213-I217 WeakPolarHBondContact O-CG1 3.14Å; T213-I217 PolarHBondContact O-N 3.38Å; T213-I217 VanDerWaalsContact O-N 3.09Å; F214-I217 PolarHBondContact O-N 2.85Å; Y215-I217 PolarHBondContact O-N 2.9Å; I217-Q220 PolarHBondContact O-N 3.47Å; I217-S221 WeakPolarHBondContact O-CB 3.2Å; I217-S221 PolarHBondContact O-N 3.22Å; I217-S221 PolarHBondContact O-OG 2.95Å; I217-E494 HydrophobicContact CD1-CG 4.1Å; I217-E494 HydrophobicContact CG1-CG 4.46Å; I217-T498 HydrophobicContact CD1-CG2 3.98Å; I217-T498 WeakPolarHBondContact CD1-OG1 3.1Å
218	R	90	Very high	88	Confident	161 Å²	161	80.2 Å²	80.2	61%	0.608	36%	0.364	S	S	*	.	H	α-helix	trans	-64.7	-42	173.7	-72.1	-170.3	74.5	155.8	4.1	112.1	F214 Y215 Q216 Q220 S221 A222	F214-R218 HydrophobicContact CE1-CG 4.33Å; F214-R218 HydrophobicContact CE2-CG 4.49Å; F214-R218 VanDerWaalsContact CZ-CD 3.46Å; F214-R218 HydrophobicContact CZ-CG 4.28Å; F214-R218 WeakPolarHBondContact O-CG 3.19Å; F214-R218 PolarHBondContact O-N 3.23Å; F214-R218 VanDerWaalsContact O-N 3.07Å; Y215-R218 PolarHBondContact O-N 3.39Å; Q216-R218 PolarHBondContact O-N 2.68Å; R218-Q220 PolarHBondContact O-N 2.98Å; R218-S221 PolarHBondContact O-N 2.91Å; R218-A222 WeakPolarHBondContact O-CB 3.42Å; R218-A222 PolarHBondContact O-N 3Å
219	K	90.5	Very high	86.9	Confident	80 Å²	80	79.6 Å²	79.6	35%	0.348	37%	0.366	S	S	.	.	H	α-helix	trans	-61.4	-43	177.1	-176.1	177.7	-176.3	172.3	0	111.7	Y215 Q216 A222 K223	Y215-K219 HydrophobicContact CE1-CD 3.91Å; Y215-K219 WeakPolarHBondContact O-CB 3.13Å; Y215-K219 PolarHBondContact O-N 3.32Å; Q216-K219 WeakPolarHBondContact O-CB 3.39Å; Q216-K219 PolarHBondContact O-N 2.83Å; K219-A222 PolarHBondContact O-N 3.1Å; K219-K223 WeakPolarHBondContact O-CG 3.24Å; K219-K223 PolarHBondContact O-N 3.38Å
220	Q	85.7	Confident	85.7	Confident	61 Å²	61	84.5 Å²	84.5	29%	0.285	39%	0.387	S	S	.	.	H	α-helix	trans	-67.2	-44.2	176.2	-71	-177.5	20.4	0	0	111.9	A134 Q216 I217 R218 A222 K223 A224	A134-Q220 PolarHBondContact O-NE2 3.41Å; Q216-Q220 WeakPolarHBondContact O-CG 3.19Å; Q216-Q220 PolarHBondContact O-N 3.31Å; I217-Q220 PolarHBondContact O-N 3.47Å; R218-Q220 PolarHBondContact O-N 2.98Å; Q220-A222 VanDerWaalsContact C-N 3.32Å; Q220-A222 PolarHBondContact O-N 2.92Å; Q220-K223 PolarHBondContact O-N 3.48Å; Q220-A224 WeakPolarHBondContact O-CB 3.24Å; Q220-A224 PolarHBondContact O-N 3.34Å
221	S	84.6	Confident	84.3	Confident	18 Å²	18	87.6 Å²	87.6	13%	0.126	41%	0.406	C	S	.	.	H	α-helix	trans	-58.4	-43.3	175.2	-57.7	0	0	0	0	111.5	I217 R218 A224 K225	I217-S221 WeakPolarHBondContact O-CB 3.2Å; I217-S221 PolarHBondContact O-N 3.22Å; I217-S221 PolarHBondContact O-OG 2.95Å; R218-S221 PolarHBondContact O-N 2.91Å; S221-A224 PolarHBondContact O-N 3.37Å; S221-K225 WeakPolarHBondContact O-CG 3.5Å; S221-K225 PolarHBondContact O-N 3.39Å
222	A	88.1	Confident	82.6	Confident	45 Å²	45	85.5 Å²	85.5	37%	0.372	40%	0.395	S	S	.	.	H	α-helix	trans	-65	-43.7	176.5	0	0	0	0	0	112.3	R218 K219 Q220 A224 K225 R226	R218-A222 WeakPolarHBondContact O-CB 3.42Å; R218-A222 PolarHBondContact O-N 3Å; K219-A222 PolarHBondContact O-N 3.1Å; Q220-A222 VanDerWaalsContact C-N 3.32Å; Q220-A222 PolarHBondContact O-N 2.92Å; A222-A224 VanDerWaalsContact C-N 3.34Å; A222-A224 PolarHBondContact O-N 3.14Å; A222-K225 PolarHBondContact O-N 3.46Å; A222-R226 WeakPolarHBondContact O-CG 3.33Å; A222-R226 PolarHBondContact O-N 3.29Å
223	K	85.6	Confident	80.7	Confident	114 Å²	114	89.5 Å²	89.5	50%	0.496	41%	0.413	S	S	.	.	H	α-helix	trans	-62.1	-40.3	174	-74.7	178.4	179	-174.5	0	111.7	K219 Q220 R226 R227	K219-K223 WeakPolarHBondContact O-CG 3.24Å; K219-K223 PolarHBondContact O-N 3.38Å; Q220-K223 PolarHBondContact O-N 3.48Å; K223-R226 PolarHBondContact O-N 2.93Å; K223-R227 WeakPolarHBondContact O-CG 3.37Å; K223-R227 PolarHBondContact O-N 3.2Å
224	A	78.3	Confident	78.5	Confident	35 Å²	35	98.1 Å²	98.1	29%	0.289	45%	0.446	S	S	.	.	H	α-helix	trans	-63.8	-46.9	176.6	0	0	0	0	0	111.4	Q220 S221 A222 R226 R227 M228	Q220-A224 WeakPolarHBondContact O-CB 3.24Å; Q220-A224 PolarHBondContact O-N 3.34Å; S221-A224 PolarHBondContact O-N 3.37Å; A222-A224 VanDerWaalsContact C-N 3.34Å; A222-A224 PolarHBondContact O-N 3.14Å; A224-R226 PolarHBondContact O-N 2.97Å; A224-R227 PolarHBondContact O-N 2.96Å; A224-M228 WeakPolarHBondContact O-CG 3.27Å; A224-M228 PolarHBondContact O-N 3.49Å
225	K	79.6	Confident	76.4	Confident	144 Å²	144	99.6 Å²	99.6	63%	0.626	45%	0.449	S	S	*	.	H	α-helix	trans	-57.4	-45.1	173.8	-73.5	-176.2	179.1	-166.7	0	112.2	S221 A222 R227 M228 H229	S221-K225 WeakPolarHBondContact O-CG 3.5Å; S221-K225 PolarHBondContact O-N 3.39Å; A222-K225 PolarHBondContact O-N 3.46Å; K225-R227 PolarHBondContact O-N 2.87Å; K225-M228 PolarHBondContact O-N 3.45Å; K225-H229 PolarHBondContact O-N 3.5Å
226	R	82.5	Confident	74.3	Confident	190 Å²	190	99.1 Å²	99.1	72%	0.717	45%	0.454	S	S	*	.	H	α-helix	trans	-62	-40.3	176.1	-71.6	177.3	-174.8	-171.7	1.9	112.6	A222 K223 A224 H229 K230	A222-R226 WeakPolarHBondContact O-CG 3.33Å; A222-R226 PolarHBondContact O-N 3.29Å; K223-R226 PolarHBondContact O-N 2.93Å; A224-R226 PolarHBondContact O-N 2.97Å; R226-H229 PolarHBondContact O-N 2.94Å; R226-K230 WeakPolarHBondContact O-CB 3.46Å; R226-K230 PolarHBondContact O-N 3.23Å
227	R	76.4	Confident	72.3	Confident	186 Å²	186	101.1 Å²	101.1	70%	0.702	48%	0.477	S	S	*	.	H	α-helix	trans	-64.9	-42.9	174.6	-73.5	176	179.3	-174.8	-1	111.5	K223 A224 K225 K230 T231	K223-R227 WeakPolarHBondContact O-CG 3.37Å; K223-R227 PolarHBondContact O-N 3.2Å; A224-R227 PolarHBondContact O-N 2.96Å; K225-R227 PolarHBondContact O-N 2.87Å; R227-K230 PolarHBondContact O-N 3.05Å; R227-T231 WeakPolarHBondContact O-CB 3.47Å; R227-T231 PolarHBondContact O-N 3.05Å; R227-T231 PolarHBondContact O-OG1 3.29Å
228	M	69.1	Low	70.2	Confident	95 Å²	95	103.6 Å²	103.6	47%	0.468	51%	0.506	S	S	.	.	H	α-helix	trans	-61.5	-44.9	175.2	-69.7	-64	-169.2	0	0	111.5	A224 K225 T231 G232 T484	A224-M228 WeakPolarHBondContact O-CG 3.27Å; A224-M228 PolarHBondContact O-N 3.49Å; K225-M228 PolarHBondContact O-N 3.45Å; M228-T231 PolarHBondContact O-N 3.3Å; M228-G232 PolarHBondContact O-N 3.47Å; M228-T484 HydrophobicContact CE-CG2 4.15Å
229	H	73.8	Confident	67.9	Low	127 Å²	127	102.3 Å²	102.3	59%	0.588	51%	0.51	S	S	*	.	H	α-helix	trans	-61.4	-49.6	176.1	-175.7	-96	0	0	0	111.7	K225 R226 T231 G232 L233	K225-H229 PolarHBondContact O-N 3.5Å; R226-H229 PolarHBondContact O-N 2.94Å; H229-T231 VanDerWaalsContact C-N 3.35Å; H229-T231 PolarHBondContact O-N 3.44Å; H229-G232 PolarHBondContact O-N 2.99Å; H229-L233 WeakPolarHBondContact O-CB 3.4Å; H229-L233 PolarHBondContact O-N 3.24Å
230	K	70.8	Confident	65.1	Low	137 Å²	137	108.6 Å²	108.6	60%	0.596	53%	0.531	S	S	*	.	H	α-helix	trans	-59.9	-42	178.7	-172.5	174.8	-177.8	174.9	0	112.5	R226 R227 R234	R226-K230 WeakPolarHBondContact O-CB 3.46Å; R226-K230 PolarHBondContact O-N 3.23Å; R227-K230 PolarHBondContact O-N 3.05Å; K230-R234 PolarHBondContact O-N 3.45Å
231	T	66.3	Low	62.3	Low	74 Å²	74	114.3 Å²	114.3	45%	0.454	56%	0.558	S	S	.	*	H	α-helix	trans	-72.9	-36.9	177.7	-55.9	0	0	0	0	112	R227 M228 H229 R235	R227-T231 WeakPolarHBondContact O-CB 3.47Å; R227-T231 PolarHBondContact O-N 3.05Å; R227-T231 PolarHBondContact O-OG1 3.29Å; M228-T231 PolarHBondContact O-N 3.3Å; H229-T231 VanDerWaalsContact C-N 3.35Å; H229-T231 PolarHBondContact O-N 3.44Å; T231-R235 PolarHBondContact O-N 2.96Å
232	G	59.4	Low	59.9	Low	25 Å²	25	118.3 Å²	118.3	26%	0.258	58%	0.584	S	S	.	*	H	α-helix	trans	-63.9	-46.6	174.3	0	0	0	0	0	112.5	M228 H229 R234 R235 I236	M228-G232 PolarHBondContact O-N 3.47Å; H229-G232 PolarHBondContact O-N 2.99Å; G232-R234 PolarHBondContact O-N 3.49Å; G232-R235 WeakPolarHBondContact O-CA 3.39Å; G232-R235 WeakPolarHBondContact O-CB 3.38Å; G232-R235 PolarHBondContact O-N 3.28Å; G232-I236 WeakPolarHBondContact O-CG1 3.49Å; G232-I236 PolarHBondContact O-N 3.5Å
233	L	55.4	Low	57.4	Low	103 Å²	103	123.5 Å²	123.5	54%	0.539	60%	0.6	S	S	.	*	H	α-helix	trans	-60.4	-43.9	176.2	-138.8	82.6	0	0	0	111.6	H229 R235 I236 A237	H229-L233 WeakPolarHBondContact O-CB 3.4Å; H229-L233 PolarHBondContact O-N 3.24Å; L233-R235 VanDerWaalsContact C-N 3.26Å; L233-R235 PolarHBondContact O-N 3.32Å; L233-I236 PolarHBondContact O-N 3.45Å; L233-A237 WeakPolarHBondContact O-CB 3.41Å; L233-A237 PolarHBondContact O-N 3.28Å
234	R	47.3	Very low	54.7	Low	184 Å²	184	123.1 Å²	123.1	69%	0.694	62%	0.619	S	S	*	*	H	α-helix	trans	-58.9	-37.7	172.6	-83.3	-175.9	172.1	-170.4	-4.2	112.3	K230 G232 G238	K230-R234 PolarHBondContact O-N 3.45Å; G232-R234 PolarHBondContact O-N 3.49Å; R234-G238 PolarHBondContact O-N 2.96Å
235	R	49.2	Very low	52.5	Low	124 Å²	124	132 Å²	132	47%	0.468	65%	0.645	S	S	.	*	H	α-helix	trans	-73.1	-33	179.4	-145.1	-175.1	-71	149.9	-0.8	112.5	T231 G232 L233	T231-R235 PolarHBondContact O-N 2.96Å; G232-R235 WeakPolarHBondContact O-CA 3.39Å; G232-R235 WeakPolarHBondContact O-CB 3.38Å; G232-R235 PolarHBondContact O-N 3.28Å; L233-R235 VanDerWaalsContact C-N 3.26Å; L233-R235 PolarHBondContact O-N 3.32Å
236	I	49.2	Very low	50.2	Low	127 Å²	127	128.5 Å²	128.5	65%	0.651	64%	0.638	S	S	*	*	H	α-helix	trans	-71.4	-46.3	173	-66.5	168.7	0	0	0	110.3	G232 L233 G238 I239	G232-I236 WeakPolarHBondContact O-CG1 3.49Å; G232-I236 PolarHBondContact O-N 3.5Å; L233-I236 PolarHBondContact O-N 3.45Å; I236-G238 PolarHBondContact O-N 3.46Å; I236-I239 PolarHBondContact O-N 3.34Å
237	A	48.9	Very low	47.9	Very low	80 Å²	80	131.3 Å²	131.3	66%	0.661	65%	0.649	S	S	*	*	H	α-helix	trans	-60.2	-33	176.3	0	0	0	0	0	112.5	L233 I239	L233-A237 WeakPolarHBondContact O-CB 3.41Å; L233-A237 PolarHBondContact O-N 3.28Å; A237-I239 VanDerWaalsContact C-N 3.28Å; A237-I239 PolarHBondContact O-N 3.27Å
238	G	43.8	Very low	46	Very low	66 Å²	66	126.3 Å²	126.3	68%	0.68	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-3.5	175.7	0	0	0	0	0	115.9	R234 I236	R234-G238 PolarHBondContact O-N 2.96Å; I236-G238 PolarHBondContact O-N 3.46Å
239	I	40.4	Very low	44.2	Very low	134 Å²	134	130.2 Å²	130.2	69%	0.687	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.7	50.9	173.8	-48	173.4	0	0	0	108.9	I236 A237	I236-I239 PolarHBondContact O-N 3.34Å; A237-I239 VanDerWaalsContact C-N 3.28Å; A237-I239 PolarHBondContact O-N 3.27Å
240	R	31.9	Very low	42.3	Very low	211 Å²	211	132.4 Å²	132.4	80%	0.796	67%	0.665	S	S	*	*			trans	-159.6	67.8	153.3	-154.9	172.1	-178.3	163.7	-1	111.6
241	E	28.5	Very low	40.4	Very low	181 Å²	181	133.8 Å²	133.8	85%	0.846	67%	0.671	S	S	*	*				-116.7	103.6	129.9	-76.9	-173.3	177.8	0	0	105.8	E243	E241-E243 PolarHBondContact O-N 3.21Å
242	P	33.7	Very low	38.8	Very low	103 Å²	103	136.5 Å²	136.5	67%	0.669	68%	0.681	S	S	*	*			trans	-58.2	108.4	144.7	10.4	2.7	0	0	0	104.1	A244	P242-A244 PolarHBondContact O-N 3.35Å
243	E	34.8	Very low	37.3	Very low	153 Å²	153	143.9 Å²	143.9	72%	0.715	71%	0.711	S	S	*	*			trans	-40.6	120.6	152.2	-74.6	176.2	167.9	0	0	105.2	E241 R245	E241-E243 PolarHBondContact O-N 3.21Å; E243-R245 PolarHBondContact O-N 2.98Å
244	A	29.9	Very low	36.3	Very low	107 Å²	107	146.9 Å²	146.9	88%	0.884	72%	0.722	S	S	*	*			trans	-62.9	73.8	169.6	0	0	0	0	0	107.2	P242 S246	P242-A244 PolarHBondContact O-N 3.35Å; A244-S246 PolarHBondContact O-N 3.44Å; A244-S246 VanDerWaalsContact O-N 3.13Å
245	R	31.1	Very low	35.5	Very low	222 Å²	222	142.7 Å²	142.7	84%	0.838	72%	0.721	S	S	*	*			trans	-81.1	103.2	179	-151.5	174.3	-170.1	-174.1	2.2	105.2	E243	E243-R245 PolarHBondContact O-N 2.98Å
246	S	32.1	Very low	34.5	Very low	70 Å²	70	142 Å²	142	49%	0.49	74%	0.735	S	S	.	*			trans	84.8	85.5	157.3	-153.9	0	0	0	0	116.6	A244	A244-S246 PolarHBondContact O-N 3.44Å; A244-S246 VanDerWaalsContact O-N 3.13Å
247	R	34.1	Very low	33.5	Very low	248 Å²	248	144.3 Å²	144.3	94%	0.936	74%	0.743	S	S	*	*	S	Bend	trans	-109.7	-2.4	134.5	-102.1	-174.5	177.4	-178.3	-0.6	114.4
248	S	35.7	Very low	32.5	Very low	81 Å²	81	146.6 Å²	146.6	57%	0.566	75%	0.749	S	S	*	*	S	Bend	trans	-108	-16.1	-178.7	61.6	0	0	0	0	116
249	K	32.6	Very low	31.5	Very low	177 Å²	177	149.6 Å²	149.6	77%	0.77	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-9.9	177.7	-78.7	-163	176.7	-172.3	0	115.5	K251	K249-K251 VanDerWaalsContact C-N 3.34Å
250	F	32.8	Very low	30.6	Very low	174 Å²	174	148.6 Å²	148.6	76%	0.763	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-5.8	168.9	-156.3	-99.3	0	0	0	113.2
251	K	32	Very low	30.2	Very low	166 Å²	166	142.8 Å²	142.8	72%	0.722	75%	0.751	S	S	*	*	S	Bend	trans	-111.5	-2.1	179.8	-117.1	-177.4	-179.9	-174	0	115.8	K249	K249-K251 VanDerWaalsContact C-N 3.34Å
252	I	31.7	Very low	30	Very low	130 Å²	130	145 Å²	145	67%	0.667	75%	0.754	S	S	*	*	S	Bend	trans	-92.1	-4.9	177.8	-64.6	173.7	0	0	0	112.5
253	M	28.8	Very low	29.4	Very low	180 Å²	180	144.3 Å²	144.3	89%	0.887	76%	0.756	S	S	*	*	S	Bend	trans	-105.4	10.8	175.5	-138.4	157.1	87.8	0	0	114.3
254	Q	34.3	Very low	29.6	Very low	167 Å²	167	142 Å²	142	78%	0.78	75%	0.754	S	S	*	*	S	Bend	trans	-139.7	19.5	-177	-126.2	176.7	4.7	0	0	115.6
255	S	30.4	Very low	29.2	Very low	96 Å²	96	143.4 Å²	143.4	67%	0.671	75%	0.747	S	S	*	*			trans	-137.1	64.1	166.2	66.2	0	0	0	0	109.1
256	S	27	Very low	28.7	Very low	108 Å²	108	139 Å²	139	76%	0.755	75%	0.745	S	S	*	*			trans	-130.3	46.1	166.4	-53.5	0	0	0	0	108.3
257	E	28.2	Very low	28.3	Very low	176 Å²	176	139.7 Å²	139.7	82%	0.822	76%	0.755	S	S	*	*			trans	-139.6	132.9	168	-96.5	169.7	-169.2	0	0	108.3
258	T	28.2	Very low	27.6	Very low	129 Å²	129	132.8 Å²	132.8	79%	0.791	74%	0.744	S	S	*	*			trans	76.9	88.5	167.7	41.7	0	0	0	0	120.2
259	T	23.8	Very low	26.9	Very low	128 Å²	128	134 Å²	134	79%	0.785	75%	0.753	S	S	*	*				47.8	122.8	116.5	42	0	0	0	0	122.1
260	S	22	Very low	26.5	Very low	114 Å²	114	131.1 Å²	131.1	80%	0.797	75%	0.75	S	S	*	*				79	112.3	125.5	-159.4	0	0	0	0	120.3
261	S	22.5	Very low	25.9	Very low	89 Å²	89	129.3 Å²	129.3	62%	0.622	75%	0.748	S	S	*	*				104.3	129.5	130	-133.5	0	0	0	0	121
262	Y	23.5	Very low	25.5	Very low	228 Å²	228	127.6 Å²	127.6	89%	0.894	75%	0.747	S	S	*	*			trans	74.1	134.1	160.3	-69.8	-75.5	0	0	0	121.7
263	A	22	Very low	25	Very low	88 Å²	88	129.2 Å²	129.2	73%	0.727	75%	0.751	S	S	*	*			trans	-82.5	-165.4	174.6	0	0	0	0	0	111.8
264	P	38	Very low	24.7	Very low	103 Å²	103	125.2 Å²	125.2	67%	0.669	74%	0.741	S	S	*	*			cis	-132.7	-168	-20	29	-5	0	0	0	113.1
265	D	22.8	Very low	24.3	Very low	138 Å²	138	125.4 Å²	125.4	74%	0.738	75%	0.748	S	S	*	*			trans	100.9	110.9	145.9	-65.6	-23.6	0	0	0	123.7
266	V	21.2	Very low	24	Very low	130 Å²	130	126.2 Å²	126.2	79%	0.788	75%	0.753	S	S	*	*				73.9	136.7	119.1	-178.5	0	0	0	0	122.4
267	A	22.2	Very low	24.1	Very low	84 Å²	84	127 Å²	127	69%	0.694	76%	0.759	S	S	*	*			trans	74.9	112.8	154.6	0	0	0	0	0	118.2
268	S	19.8	Very low	24.2	Very low	103 Å²	103	121.3 Å²	121.3	72%	0.72	75%	0.747	S	S	*	*				94.1	125.1	60.7	72.5	0	0	0	0	114.8
269	S	20.6	Very low	24.2	Very low	107 Å²	107	123.7 Å²	123.7	75%	0.748	75%	0.751	S	S	*	*			trans	80.4	146.5	142	70	0	0	0	0	123
270	V	24.4	Very low	24.5	Very low	115 Å²	115	125.2 Å²	125.2	70%	0.697	75%	0.754	S	S	*	*			trans	116	99.1	144.7	-171.3	0	0	0	0	118.4
271	N	21.3	Very low	25.3	Very low	137 Å²	137	125.5 Å²	125.5	73%	0.733	75%	0.747	S	S	*	*				54.9	154.4	118.3	-57.3	-12.6	0	0	0	126.2
272	N	22.8	Very low	25.9	Very low	130 Å²	130	125.1 Å²	125.1	70%	0.695	74%	0.741	S	S	*	*			trans	79.3	146.9	147.4	-73.2	4.7	0	0	0	118.3
273	E	22	Very low	26.4	Very low	163 Å²	163	119.1 Å²	119.1	76%	0.762	73%	0.727	S	S	*	*			cis	-167.6	171.2	-7.5	-120.3	174.6	158.3	0	0	107.3
274	S	21.7	Very low	26.9	Very low	96 Å²	96	117.3 Å²	117.3	67%	0.671	72%	0.717	S	S	*	*			trans	-43.4	155	173.6	48.2	0	0	0	0	119.2
275	N	26.6	Very low	26.9	Very low	172 Å²	172	118.8 Å²	118.8	92%	0.92	72%	0.715	S	S	*	*			trans	-149.2	134.8	139.4	-107.9	-22.8	0	0	0	114.5
276	S	24.1	Very low	27.4	Very low	112 Å²	112	117.3 Å²	117.3	78%	0.783	71%	0.706	S	S	*	*			trans	-93.5	134.2	178.9	155.7	0	0	0	0	110.1
277	S	28.6	Very low	27.8	Very low	125 Å²	125	116.7 Å²	116.7	87%	0.874	70%	0.697	S	S	*	*			trans	-173.5	123	154.6	21	0	0	0	0	110.7
278	G	30.3	Very low	28.2	Very low	56 Å²	56	115.7 Å²	115.7	58%	0.577	69%	0.689	S	S	*	*			trans	163.7	-0.5	171.6	0	0	0	0	0	118	L280	G278-L280 PolarHBondContact O-N 3.2Å; G278-L280 VanDerWaalsContact O-N 3.08Å
279	M	27.6	Very low	28.7	Very low	179 Å²	179	115.7 Å²	115.7	88%	0.882	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	10.3	-177.3	-158.9	163.3	73.6	0	0	115
280	L	31.1	Very low	29.2	Very low	160 Å²	160	117.1 Å²	117.1	84%	0.838	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.7	-2.8	178.7	-99.9	148.1	0	0	0	114.5	G278	G278-L280 PolarHBondContact O-N 3.2Å; G278-L280 VanDerWaalsContact O-N 3.08Å
281	N	37.3	Very low	29.4	Very low	121 Å²	121	116.4 Å²	116.4	65%	0.647	69%	0.686	S	S	*	*	S	Bend	trans	-97.9	-3.6	-179.7	-67.3	-2.1	0	0	0	114.2
282	T	36.5	Very low	29.7	Very low	81 Å²	81	116.4 Å²	116.4	50%	0.497	69%	0.686	S	S	.	*	H	α-helix	trans	-79.5	-30.3	-175	-44.9	0	0	0	0	113.1	I286	T282-I286 WeakPolarHBondContact O-CG1 3.44Å
283	V	32.7	Very low	30.2	Very low	101 Å²	101	119.1 Å²	119.1	61%	0.612	69%	0.694	S	S	*	*	H	α-helix	trans	-76.4	-38.2	-178.1	-178.3	0	0	0	0	111.6	Q285 I286 I287	V283-Q285 VanDerWaalsContact C-N 3.28Å; V283-Q285 PolarHBondContact O-N 3.24Å; V283-I286 PolarHBondContact O-N 3.21Å; V283-I287 PolarHBondContact O-N 3.28Å
284	G	32.9	Very low	30.3	Very low	50 Å²	50	119.8 Å²	119.8	52%	0.515	70%	0.695	S	S	.	*	H	α-helix	trans	-63.6	-30.9	176.1	0	0	0	0	0	113.6	A288	G284-A288 PolarHBondContact O-N 2.93Å
285	Q	37.5	Very low	30.6	Very low	135 Å²	135	122.8 Å²	122.8	63%	0.631	70%	0.703	S	S	*	*	H	α-helix	trans	-74.3	-30	177.7	-73.1	-175	-8.3	0	0	113.3	V283 C289	V283-Q285 VanDerWaalsContact C-N 3.28Å; V283-Q285 PolarHBondContact O-N 3.24Å; Q285-C289 PolarHBondContact O-N 3.1Å; Q285-C289 PolarHBondContact O-SG 3.28Å; Q285-C289 VanDerWaalsContact O-SG 3.4Å
286	I	33.4	Very low	30.9	Very low	107 Å²	107	124 Å²	124	55%	0.549	70%	0.703	S	S	.	*	H	α-helix	trans	-72.3	-37.2	179	-65	170.3	0	0	0	110.8	T282 V283 C289	T282-I286 WeakPolarHBondContact O-CG1 3.44Å; V283-I286 PolarHBondContact O-N 3.21Å; I286-C289 PolarHBondContact O-N 3.13Å
287	I	31.4	Very low	31	Very low	116 Å²	116	125.8 Å²	125.8	60%	0.595	70%	0.704	S	S	*	*	H	α-helix	trans	-70	-36	177.3	-61.8	176.1	0	0	0	111.2	V283 C289 I290	V283-I287 PolarHBondContact O-N 3.28Å; I287-C289 VanDerWaalsContact C-N 3.32Å; I287-C289 PolarHBondContact O-N 3.23Å; I287-I290 PolarHBondContact O-N 2.95Å
288	A	30.4	Very low	30.8	Very low	64 Å²	64	127.1 Å²	127.1	53%	0.529	70%	0.702	S	S	.	*	H	α-helix	trans	-67.2	-30.5	175.2	0	0	0	0	0	113.2	G284	G284-A288 PolarHBondContact O-N 2.93Å
289	C	30.3	Very low	30.7	Very low	103 Å²	103	132.9 Å²	132.9	70%	0.696	72%	0.717	S	S	*	*	H	α-helix	trans	-71.2	-26.7	179.6	-81.3	0	0	0	0	114.3	Q285 I286 I287	Q285-C289 PolarHBondContact O-N 3.1Å; Q285-C289 PolarHBondContact O-SG 3.28Å; Q285-C289 VanDerWaalsContact O-SG 3.4Å; I286-C289 PolarHBondContact O-N 3.13Å; I287-C289 VanDerWaalsContact C-N 3.32Å; I287-C289 PolarHBondContact O-N 3.23Å
290	I	30	Very low	30.6	Very low	137 Å²	137	131.6 Å²	131.6	70%	0.703	71%	0.713	S	S	*	*	H	α-helix	trans	-78.7	-25.4	-178.4	-62.9	171.9	0	0	0	111.3	I287	I287-I290 PolarHBondContact O-N 2.95Å
291	S	29.1	Very low	30.3	Very low	99 Å²	99	129 Å²	129	69%	0.692	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-6.2	-170.5	-57.8	0	0	0	0	115.1
292	N	27.8	Very low	29.8	Very low	138 Å²	138	129 Å²	129	74%	0.738	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.3	20.9	-171.2	-122.5	10.8	0	0	0	115.2	K294	N292-K294 PolarHBondContact O-N 3.27Å; N292-K294 VanDerWaalsContact O-N 3.15Å
293	E	32.3	Very low	29.1	Very low	187 Å²	187	130.9 Å²	130.9	87%	0.874	73%	0.731	S	S	*	*			trans	-78.6	15.7	178.9	-145.5	177.2	-168.3	0	0	114.3
294	K	24.8	Very low	28.8	Very low	176 Å²	176	132.7 Å²	132.7	77%	0.765	74%	0.743	S	S	*	*	S	Bend	trans	-129.9	116	173.7	-69.5	-178.4	-179.8	173.4	0	109.2	N292	N292-K294 PolarHBondContact O-N 3.27Å; N292-K294 VanDerWaalsContact O-N 3.15Å
295	N	26.9	Very low	28.3	Very low	159 Å²	159	134.9 Å²	134.9	85%	0.85	76%	0.755	S	S	*	*			trans	101.2	67.9	176.2	-51.7	-20.6	0	0	0	115.7	D297	N295-D297 VanDerWaalsContact C-N 3.29Å; N295-D297 PolarHBondContact O-N 3.21Å
296	E	32.9	Very low	27.4	Very low	198 Å²	198	139.5 Å²	139.5	93%	0.925	77%	0.767	S	S	*	*			trans	-89.5	64.5	152.2	-78	-165.7	152.9	0	0	109.8
297	D	27.7	Very low	26.8	Very low	149 Å²	149	141.5 Å²	141.5	80%	0.797	79%	0.785	S	S	*	*			trans	-144	73.8	164.8	-84	-40	0	0	0	107	N295	N295-D297 VanDerWaalsContact C-N 3.29Å; N295-D297 PolarHBondContact O-N 3.21Å
298	D	24.3	Very low	26.3	Very low	154 Å²	154	140.8 Å²	140.8	82%	0.824	79%	0.79	S	S	*	*			trans	172.1	100.8	152.4	-90	-25	0	0	0	110.2
299	I	27	Very low	26	Very low	177 Å²	177	144.3 Å²	144.3	91%	0.908	81%	0.805	S	S	*	*			trans	-121.6	98.4	158	-63.3	-178.1	0	0	0	108
300	L	26.9	Very low	25.6	Very low	151 Å²	151	145.8 Å²	145.8	79%	0.791	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-63.4	155.9	166.5	-129	85.5	0	0	0	111.4
301	S	23.7	Very low	25.2	Very low	106 Å²	106	146.2 Å²	146.2	74%	0.741	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-70.6	151.3	-173.8	-57.5	0	0	0	0	113.3	S303	S301-S303 PolarHBondContact O-N 3.33Å
302	P	27.2	Very low	24.8	Very low	122 Å²	122	147.6 Å²	147.6	79%	0.792	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-72.8	126.5	176.8	-7.3	23.3	0	0	0	111.2
303	S	22.3	Very low	24.7	Very low	119 Å²	119	148.4 Å²	148.4	83%	0.832	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-57.6	128.1	165.1	45.6	0	0	0	0	110.9	S301	S301-S303 PolarHBondContact O-N 3.33Å
304	V	26.8	Very low	24.2	Very low	140 Å²	140	144.3 Å²	144.3	85%	0.848	80%	0.801	S	S	*	*			trans	-113.9	120.3	162	175.6	0	0	0	0	106.6
305	A	22.2	Very low	24.2	Very low	95 Å²	95	145.6 Å²	145.6	79%	0.785	81%	0.806	S	S	*	*			trans	-64.6	145.2	-177.2	0	0	0	0	0	112.3
306	R	18.7	Very low	24.2	Very low	232 Å²	232	143.4 Å²	143.4	88%	0.875	80%	0.8	S	S	*	*			trans	-50.2	140.1	172	-82.4	168.6	-106.1	168.1	-5.6	113.1
307	T	21	Very low	23.8	Very low	149 Å²	149	142.5 Å²	142.5	91%	0.914	80%	0.801	S	S	*	*				-134.6	129.3	126.1	36.7	0	0	0	0	109.1
308	S	20	Very low	23.3	Very low	102 Å²	102	142.5 Å²	142.5	71%	0.713	80%	0.799	S	S	*	*			trans	-87.9	140.3	-176.4	44.1	0	0	0	0	111.6
309	V	24.6	Very low	23.1	Very low	138 Å²	138	142.2 Å²	142.2	84%	0.836	80%	0.795	S	S	*	*			trans	-149.4	101.7	144.5	-178.3	0	0	0	0	108.4
310	D	20.8	Very low	22.8	Very low	133 Å²	133	144.1 Å²	144.1	71%	0.711	79%	0.791	S	S	*	*			trans	33.4	142.8	139.6	-60.9	-27.6	0	0	0	126.3
311	N	22.1	Very low	22.3	Very low	146 Å²	146	145.6 Å²	145.6	78%	0.781	80%	0.796	S	S	*	*			trans	78.1	133.7	144.9	-76.2	0.4	0	0	0	119.2
312	D	22.1	Very low	22.3	Very low	128 Å²	128	146 Å²	146	68%	0.684	80%	0.799	S	S	*	*			cis	-171.3	163.3	0.5	-154.9	-7.2	0	0	0	109.6
313	Q	24.8	Very low	21.9	Very low	155 Å²	155	149 Å²	149	72%	0.724	80%	0.802	S	S	*	*			trans	74.7	105.5	160.4	-60.6	-179.3	10.8	0	0	120
314	S	22.7	Very low	21.9	Very low	102 Å²	102	149.3 Å²	149.3	71%	0.713	80%	0.804	S	S	*	*				65.2	131.3	79.3	81.3	0	0	0	0	113.7
315	K	23	Very low	21.6	Very low	202 Å²	202	146.7 Å²	146.7	88%	0.878	80%	0.797	S	S	*	*			cis	-168.6	174.8	23.6	-116.9	173.1	-178.2	175.8	0	108.7
316	P	27.1	Very low	21.5	Very low	113 Å²	113	148.4 Å²	148.4	73%	0.734	80%	0.798	S	S	*	*			trans	-98.1	155.4	-163.1	38.1	-33.1	0	0	0	115.2
317	L	25.5	Very low	21.8	Very low	180 Å²	180	146 Å²	146	94%	0.942	80%	0.797	S	S	*	*			trans	-113	125.3	176.9	-88.7	159.8	0	0	0	112.2
318	I	17.7	Very low	21.9	Very low	148 Å²	148	143.5 Å²	143.5	76%	0.759	78%	0.782	S	S	*	*			trans	-109.3	156.7	176.4	-68.6	174.2	0	0	0	108.5
319	M	19.8	Very low	22	Very low	149 Å²	149	145.7 Å²	145.7	73%	0.734	79%	0.785	S	S	*	*			trans	80.4	148.9	162.1	-107.1	-173.5	178.9	0	0	117
320	R	19.2	Very low	21.8	Very low	217 Å²	217	143.8 Å²	143.8	82%	0.819	78%	0.777	S	S	*	*			cis	-165.6	163.7	16.5	-153.4	167.7	-171.4	170.3	1.2	109.8
321	M	17.6	Very low	21.9	Very low	182 Å²	182	143.1 Å²	143.1	90%	0.897	78%	0.783	S	S	*	*			trans	-94.3	148.7	179.9	-63.4	165.6	63.9	0	0	113.4
322	S	22.8	Very low	22.1	Very low	114 Å²	114	141.5 Å²	141.5	80%	0.797	79%	0.79	S	S	*	*			trans	-161.6	117.4	164.3	57.1	0	0	0	0	109
323	Q	19.6	Very low	22.2	Very low	186 Å²	186	140.2 Å²	140.2	87%	0.869	80%	0.797	S	S	*	*				74.4	119.2	77.2	-80.5	-167.1	1.1	0	0	117.8
324	S	22.5	Very low	22.5	Very low	124 Å²	124	135.4 Å²	135.4	87%	0.867	79%	0.79	S	S	*	*			trans	72.2	149.9	154.6	84.8	0	0	0	0	118
325	A	20.9	Very low	22.9	Very low	85 Å²	85	137.5 Å²	137.5	70%	0.702	80%	0.798	S	S	*	*			cis	-160.1	134.9	5.7	0	0	0	0	0	107.6
326	V	19.7	Very low	23.2	Very low	132 Å²	132	133.9 Å²	133.9	80%	0.8	79%	0.787	S	S	*	*				61.8	114.8	100.1	-176.5	0	0	0	0	116.9
327	E	23.9	Very low	23.4	Very low	182 Å²	182	133 Å²	133	85%	0.85	78%	0.783	S	S	*	*			trans	163.9	162.1	134.5	-87.9	-125.8	155.4	0	0	115.2
328	P	22.8	Very low	24.1	Very low	95 Å²	95	133.9 Å²	133.9	62%	0.617	78%	0.78	S	S	*	*			trans	-119.6	175.1	-140.2	36.3	-20.8	0	0	0	118.6
329	I	22.2	Very low	24.7	Very low	149 Å²	149	132 Å²	132	76%	0.764	77%	0.771	S	S	*	*			trans	146.5	132.1	131	-73.6	158.3	0	0	0	118.1
330	S	22	Very low	25.3	Very low	97 Å²	97	133.7 Å²	133.7	68%	0.678	77%	0.77	S	S	*	*			trans	48.4	119.4	153.2	73.3	0	0	0	0	122
331	S	22.5	Very low	25.7	Very low	120 Å²	120	132.5 Å²	132.5	84%	0.839	77%	0.765	S	S	*	*				79.2	100.1	63.8	83	0	0	0	0	116.4
332	A	26.3	Very low	26.4	Very low	111 Å²	111	126.7 Å²	126.7	92%	0.917	74%	0.742	S	S	*	*			trans	-151.2	110.1	152.4	0	0	0	0	0	109.9
333	A	24.3	Very low	26.9	Very low	101 Å²	101	125.6 Å²	125.6	84%	0.835	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-102.9	127	-178.9	0	0	0	0	0	110.3
334	G	30.5	Very low	27.5	Very low	55 Å²	55	119.8 Å²	119.8	57%	0.567	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-103.4	130	171.5	0	0	0	0	0	112.6	R425	G334-R425 PolarHBondContact O-NH1 2.97Å
335	T	30.3	Very low	28.2	Very low	145 Å²	145	119.8 Å²	119.8	89%	0.89	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-77.9	144.8	-178.6	-52.8	0	0	0	0	111.7
336	I	29.5	Very low	28.8	Very low	127 Å²	127	119.7 Å²	119.7	65%	0.651	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-97.9	128.8	-176.4	-69.5	175.1	0	0	0	109.6
337	S	31	Very low	29.5	Very low	94 Å²	94	118.9 Å²	118.9	66%	0.657	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-76.3	155.3	176	-175.4	0	0	0	0	112.6
338	K	41	Very low	30	Very low	198 Å²	198	114.4 Å²	114.4	86%	0.861	66%	0.663	S	S	*	*	S	Bend	trans	-94.7	-2.1	-164.7	-96	-176.3	176.8	177.2	0	116.7
339	D	30.8	Very low	30.3	Very low	109 Å²	109	117.4 Å²	117.4	58%	0.583	67%	0.669	S	S	*	*			trans	-110.1	84.2	-174.2	-60.2	-34.5	0	0	0	112.5	W341 S342	D339-W341 VanDerWaalsContact C-N 3.3Å; D339-W341 PolarHBondContact O-N 3.21Å; D339-S342 WeakPolarHBondContact CB-OG 3.19Å; D339-S342 PolarHBondContact O-OG 2.93Å
340	W	32.5	Very low	30.6	Very low	185 Å²	185	120.1 Å²	120.1	70%	0.701	67%	0.669	S	S	*	*	H	α-helix	trans	-68.5	-21.4	-172.9	-177	66	0	0	0	114.7
341	W	27.8	Very low	31.1	Very low	192 Å²	192	120.8 Å²	120.8	73%	0.727	67%	0.665	S	S	*	*	H	α-helix	trans	-78.7	-36.6	-177.8	-168.4	-105.1	0	0	0	112.6	D339 C344	D339-W341 VanDerWaalsContact C-N 3.3Å; D339-W341 PolarHBondContact O-N 3.21Å; W341-C344 PolarHBondContact O-N 3.33Å
342	S	31.6	Very low	31.3	Very low	59 Å²	59	122.5 Å²	122.5	41%	0.413	67%	0.665	S	S	.	*	H	α-helix	trans	-67.4	-42.3	179.8	-7.1	0	0	0	0	111.6	D339 C344 Q345 T346	D339-S342 WeakPolarHBondContact CB-OG 3.19Å; D339-S342 PolarHBondContact O-OG 2.93Å; S342-C344 PolarHBondContact O-N 2.92Å; S342-Q345 PolarHBondContact O-N 3.42Å; S342-Q345 VanDerWaalsContact O-N 3.09Å; S342-T346 PolarHBondContact O-N 2.94Å; S342-T346 PolarHBondContact O-OG1 2.94Å
343	D	32.8	Very low	31.3	Very low	91 Å²	91	121.4 Å²	121.4	49%	0.487	66%	0.656	S	S	.	*	H	α-helix	trans	-61.1	-32.2	179.4	-75.6	-14.9	0	0	0	112.4	Q345 I347	D343-Q345 PolarHBondContact O-N 2.9Å; D343-I347 WeakPolarHBondContact O-CG1 3.47Å; D343-I347 PolarHBondContact O-N 3.48Å
344	C	33.3	Very low	31.4	Very low	64 Å²	64	119.5 Å²	119.5	43%	0.432	65%	0.646	S	S	.	*	H	α-helix	trans	-67.1	-33.3	177	-75.7	0	0	0	0	112.9	W341 S342	W341-C344 PolarHBondContact O-N 3.33Å; S342-C344 PolarHBondContact O-N 2.92Å
345	Q	36	Very low	31	Very low	124 Å²	124	128.5 Å²	128.5	58%	0.579	67%	0.665	S	S	*	*	H	α-helix	trans	-75.9	-38.4	177.6	-72	-172.4	-13.8	0	0	111.9	S342 D343 I347 S348 Q349	S342-Q345 PolarHBondContact O-N 3.42Å; S342-Q345 VanDerWaalsContact O-N 3.09Å; D343-Q345 PolarHBondContact O-N 2.9Å; Q345-I347 VanDerWaalsContact C-N 3.34Å; Q345-I347 PolarHBondContact O-N 3Å; Q345-S348 PolarHBondContact O-N 3.41Å; Q345-Q349 PolarHBondContact O-N 3.43Å
346	T	33.4	Very low	30.6	Very low	83 Å²	83	130 Å²	130	51%	0.509	67%	0.665	S	S	.	*	H	α-helix	trans	-68.3	-33.1	-179.7	-43.3	0	0	0	0	112.5	S342 S348 Q349 R350	S342-T346 PolarHBondContact O-N 2.94Å; S342-T346 PolarHBondContact O-OG1 2.94Å; T346-S348 VanDerWaalsContact C-N 3.35Å; T346-Q349 PolarHBondContact O-N 3.21Å; T346-R350 PolarHBondContact O-N 3.38Å
347	I	34.5	Very low	30.3	Very low	116 Å²	116	127.2 Å²	127.2	60%	0.595	67%	0.669	S	S	*	*	H	α-helix	trans	-70.8	-32.6	175.7	-65.1	168	0	0	0	111.2	D343 Q345 Q349	D343-I347 WeakPolarHBondContact O-CG1 3.47Å; D343-I347 PolarHBondContact O-N 3.48Å; Q345-I347 VanDerWaalsContact C-N 3.34Å; Q345-I347 PolarHBondContact O-N 3Å; I347-Q349 VanDerWaalsContact C-N 3.32Å; I347-Q349 PolarHBondContact O-N 3.18Å
348	S	35	Very low	29.9	Very low	88 Å²	88	134.3 Å²	134.3	62%	0.615	68%	0.681	S	S	*	*	H	α-helix	trans	-70.2	-26.1	177.8	-171	0	0	0	0	113.4	Q345 T346	Q345-S348 PolarHBondContact O-N 3.41Å; T346-S348 VanDerWaalsContact C-N 3.35Å
349	Q	28.8	Very low	29.1	Very low	158 Å²	158	132.2 Å²	132.2	74%	0.738	68%	0.679	S	S	*	*	H	α-helix	trans	-88.8	-16.6	-179.2	-71.1	-173.3	-9.4	0	0	113.7	Q345 T346 I347	Q345-Q349 PolarHBondContact O-N 3.43Å; T346-Q349 PolarHBondContact O-N 3.21Å; I347-Q349 VanDerWaalsContact C-N 3.32Å; I347-Q349 PolarHBondContact O-N 3.18Å
350	R	29.4	Very low	28.7	Very low	205 Å²	205	131.5 Å²	131.5	77%	0.774	68%	0.683	S	S	*	*	H	α-helix	trans	-81	-22.1	-176.8	-121.9	178.3	-173.5	162.4	2.9	114.4	T346	T346-R350 PolarHBondContact O-N 3.38Å
351	D	31	Very low	28.4	Very low	112 Å²	112	130.1 Å²	130.1	60%	0.599	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-5	-176.6	-82.6	-0.4	0	0	0	113.7	R60	R60-D351 IonicContact NH1-OD2 3.58Å
352	D	27.5	Very low	28.1	Very low	155 Å²	155	129.4 Å²	129.4	83%	0.829	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	-0.3	179.6	-83	-24.3	0	0	0	115
353	A	26.2	Very low	27.7	Very low	88 Å²	88	134.6 Å²	134.6	73%	0.727	72%	0.716	S	S	*	*	S	Bend	trans	-126.4	89.3	-178.3	0	0	0	0	0	112.2
354	G	25.8	Very low	27.1	Very low	62 Å²	62	136 Å²	136	64%	0.639	73%	0.727	S	S	*	*			trans	165.8	59.1	165.3	0	0	0	0	0	117.4
355	Y	23.1	Very low	26.6	Very low	244 Å²	244	139.2 Å²	139.2	96%	0.957	75%	0.745	S	S	*	*			trans	-154.7	70	155.4	-94.2	-73.5	0	0	0	110.6
356	I	22	Very low	25.9	Very low	175 Å²	175	139.5 Å²	139.5	90%	0.897	75%	0.751	S	S	*	*			trans	-136	122.8	162.8	-61.8	-178.2	0	0	0	108.5
357	G	22.5	Very low	25.6	Very low	70 Å²	70	141.9 Å²	141.9	72%	0.722	76%	0.758	S	S	*	*			trans	79.2	108.1	145.4	0	0	0	0	0	119.3
358	R	24	Very low	25.1	Very low	242 Å²	242	143.4 Å²	143.4	91%	0.913	77%	0.767	S	S	*	*			trans	-172.7	101.5	139.2	-106.1	-179.9	-165.2	169.2	4.9	107.3
359	D	22.3	Very low	25	Very low	154 Å²	154	144.2 Å²	144.2	82%	0.824	77%	0.771	S	S	*	*				75.6	127.2	77.1	-84.5	-22.7	0	0	0	115.8
360	S	23.4	Very low	25	Very low	95 Å²	95	142.6 Å²	142.6	66%	0.664	77%	0.774	S	S	*	*			trans	62.8	124.8	146.2	47.8	0	0	0	0	122.9
361	N	26	Very low	24.5	Very low	155 Å²	155	140.3 Å²	140.3	83%	0.829	78%	0.776	S	S	*	*			trans	176.5	91	131.6	-84.5	-13.3	0	0	0	107.4
362	E	21.3	Very low	24.3	Very low	177 Å²	177	141.6 Å²	141.6	83%	0.827	79%	0.788	S	S	*	*				54.1	107.5	88	-77.4	-167.6	160.5	0	0	116.1
363	L	24.1	Very low	24	Very low	168 Å²	168	140.3 Å²	140.3	88%	0.88	79%	0.785	S	S	*	*			trans	-172.4	91.8	148	-138.6	80.7	0	0	0	106.8
364	V	19.4	Very low	23.8	Very low	120 Å²	120	144.3 Å²	144.3	73%	0.727	79%	0.789	S	S	*	*				67.3	137.4	84.4	-175.8	0	0	0	0	114.9
365	T	23.4	Very low	23.8	Very low	132 Å²	132	146.3 Å²	146.3	81%	0.81	79%	0.791	S	S	*	*			trans	94.9	127.2	176.5	71.1	0	0	0	0	115.1
366	D	21.4	Very low	23.8	Very low	130 Å²	130	139.4 Å²	139.4	70%	0.695	78%	0.778	S	S	*	*			cis	-171.3	159.2	-3.8	-157.5	0.9	0	0	0	109.6
367	M	26	Very low	23.6	Very low	134 Å²	134	137.5 Å²	137.5	66%	0.66	77%	0.774	S	S	*	*			trans	60.8	99.4	157.6	-60.8	-56	166	0	0	123.6
368	N	25.1	Very low	23.4	Very low	147 Å²	147	139.5 Å²	139.5	79%	0.786	78%	0.776	S	S	*	*				80.5	153	116.2	-77.1	-18	0	0	0	124.6
369	P	33.3	Very low	23.2	Very low	106 Å²	106	139.5 Å²	139.5	69%	0.688	78%	0.776	S	S	*	*			trans	-115.6	-174.6	-140.7	48.2	-37.2	0	0	0	113.7
370	P	27.6	Very low	23	Very low	123 Å²	123	141.9 Å²	141.9	80%	0.799	78%	0.779	S	S	*	*				-144.5	169.8	71.1	32.9	-10.1	0	0	0	117.3
371	L	19.8	Very low	22.8	Very low	157 Å²	157	149.4 Å²	149.4	82%	0.822	79%	0.793	S	S	*	*			trans	-43.1	148	169.7	-80.2	70.5	0	0	0	115.6
372	V	25.7	Very low	22.4	Very low	139 Å²	139	151.1 Å²	151.1	84%	0.842	79%	0.793	S	S	*	*				-172.2	149.5	115.6	163.9	0	0	0	0	109.7
373	T	21.6	Very low	22.3	Very low	128 Å²	128	151.7 Å²	151.7	79%	0.785	79%	0.793	S	S	*	*			trans	-69.6	153.3	-163.6	45.1	0	0	0	0	118.6
374	Q	21.4	Very low	22.2	Very low	173 Å²	173	153.9 Å²	153.9	81%	0.808	80%	0.796	S	S	*	*			trans	-34.1	172.9	156.2	-72.4	-90.7	-8.4	0	0	116.9
375	P	26.7	Very low	22.5	Very low	103 Å²	103	151.8 Å²	151.8	67%	0.669	80%	0.799	S	S	*	*			cis	-138.6	-177.4	-2.2	29.7	-5.9	0	0	0	116.4
376	S	21.9	Very low	22.5	Very low	100 Å²	100	149.4 Å²	149.4	70%	0.699	79%	0.793	S	S	*	*			trans	93.8	110.5	141.1	74.8	0	0	0	0	122.1
377	V	19.5	Very low	22.7	Very low	134 Å²	134	150.1 Å²	150.1	81%	0.812	80%	0.796	S	S	*	*				67.7	116.6	126.1	-176.6	0	0	0	0	120.4
378	C	17.5	Very low	22.7	Very low	112 Å²	112	152 Å²	152	76%	0.757	81%	0.808	S	S	*	*			trans	53.9	108.5	149.6	-83.2	0	0	0	0	120.7
379	R	19.7	Very low	22.8	Very low	243 Å²	243	149.3 Å²	149.3	92%	0.917	80%	0.801	S	S	*	*				-176.2	143.3	110	-109.9	173.7	-88.8	-156.7	-4.7	113.4
380	K	18.3	Very low	22.6	Very low	204 Å²	204	151.9 Å²	151.9	89%	0.887	81%	0.808	S	S	*	*			trans	-39.4	129.3	166.9	-72.3	171.4	172.5	173.3	0	112.8
381	W	19	Very low	22.6	Very low	252 Å²	252	156 Å²	156	96%	0.955	81%	0.813	S	S	*	*			trans	-137.2	144.4	158.8	-107.5	68	0	0	0	112.9
382	K	18	Very low	22.9	Very low	192 Å²	192	155.7 Å²	155.7	84%	0.835	81%	0.812	S	S	*	*			trans	-77.9	146.8	-176	-73.9	172.9	171	176.2	0	111.9
383	F	19.2	Very low	23	Very low	189 Å²	189	159.9 Å²	159.9	83%	0.829	81%	0.812	S	S	*	*			trans	39.1	104.9	135.6	-140.1	-94.6	0	0	0	119.7
384	K	21	Very low	23.3	Very low	213 Å²	213	161.4 Å²	161.4	93%	0.926	81%	0.809	S	S	*	*			trans	-163.9	124.8	134.6	-117.5	176	-178.6	178.5	0	109.9
385	G	25.9	Very low	23.4	Very low	77 Å²	77	162.6 Å²	162.6	79%	0.794	81%	0.811	S	S	*	*			trans	139.9	60.6	173	0	0	0	0	0	113.5
386	A	24.6	Very low	23.4	Very low	82 Å²	82	164.8 Å²	164.8	68%	0.678	82%	0.816	S	S	*	*			trans	-60.1	143.3	167	0	0	0	0	0	111
387	L	25.2	Very low	23.7	Very low	145 Å²	145	166.2 Å²	166.2	76%	0.759	82%	0.821	S	S	*	*			trans	45.9	98.2	152.9	-94.5	71.5	0	0	0	117.5
388	N	25.5	Very low	24	Very low	174 Å²	174	169.9 Å²	169.9	93%	0.93	83%	0.826	S	S	*	*			trans	-138.3	66.4	132	-87.2	-33.5	0	0	0	108.8
389	S	27.9	Very low	24.4	Very low	90 Å²	90	168.4 Å²	168.4	63%	0.629	82%	0.822	S	S	*	*			trans	-69.4	140.5	158.7	63.4	0	0	0	0	109
390	L	28.4	Very low	24.6	Very low	159 Å²	159	167 Å²	167	83%	0.832	82%	0.823	S	S	*	*			trans	89.8	59.1	176.4	-71.4	83.7	0	0	0	117.3
391	K	28	Very low	24.9	Very low	209 Å²	209	162.2 Å²	162.2	91%	0.909	82%	0.815	S	S	*	*			trans	-127.6	6.3	146.8	-112	178.6	-177	177.9	0	115.7	R393	K391-R393 VanDerWaalsContact C-N 3.32Å; K391-R393 PolarHBondContact O-N 3.47Å
392	L	26.1	Very low	25.3	Very low	151 Å²	151	157 Å²	157	79%	0.791	81%	0.81	S	S	*	*			trans	-92.6	55.2	175.1	-146.1	78.3	0	0	0	112	F394	L392-F394 VanDerWaalsContact C-N 3.26Å; L392-F394 HydrophobicContact CD1-CD2 4.45Å; L392-F394 HydrophobicContact CD1-CE2 4.34Å; L392-F394 HydrophobicContact CD2-CD2 4.14Å; L392-F394 HydrophobicContact CD2-CE2 4.17Å; L392-F394 HydrophobicContact CG-CD2 3.92Å; L392-F394 HydrophobicContact CG-CE2 4.18Å; L392-F394 PolarHBondContact O-N 2.86Å
393	R	27.5	Very low	25.6	Very low	227 Å²	227	159.3 Å²	159.3	86%	0.857	81%	0.814	S	S	*	*			trans	-81.7	85.2	158.7	-82.2	-169.9	179	-143.2	1.5	107.4	K391 K395	K391-R393 VanDerWaalsContact C-N 3.32Å; K391-R393 PolarHBondContact O-N 3.47Å; R393-K395 PolarHBondContact O-N 3.17Å
394	F	28.1	Very low	26	Very low	161 Å²	161	159.1 Å²	159.1	71%	0.706	82%	0.816	S	S	*	*			trans	-48.8	122.4	164.3	-109.4	-92.3	0	0	0	109.3	L392 L396	L392-F394 VanDerWaalsContact C-N 3.26Å; L392-F394 HydrophobicContact CD1-CD2 4.45Å; L392-F394 HydrophobicContact CD1-CE2 4.34Å; L392-F394 HydrophobicContact CD2-CD2 4.14Å; L392-F394 HydrophobicContact CD2-CE2 4.17Å; L392-F394 HydrophobicContact CG-CD2 3.92Å; L392-F394 HydrophobicContact CG-CE2 4.18Å; L392-F394 PolarHBondContact O-N 2.86Å; F394-L396 PolarHBondContact O-N 3.43Å
395	K	24.2	Very low	26.2	Very low	198 Å²	198	156.4 Å²	156.4	86%	0.861	81%	0.81	S	S	*	*			trans	-52	99.8	165.3	-72.9	171.7	172.3	174.6	0	108.8	R393	R393-K395 PolarHBondContact O-N 3.17Å
396	L	26.6	Very low	26.4	Very low	148 Å²	148	158.6 Å²	158.6	78%	0.775	81%	0.813	S	S	*	*			trans	-111.6	44.6	171.2	-127.5	149.2	0	0	0	109.9	F394	F394-L396 PolarHBondContact O-N 3.43Å
397	T	28.2	Very low	26.6	Very low	131 Å²	131	165.3 Å²	165.3	80%	0.804	82%	0.821	S	S	*	*			trans	-107.7	24.5	179.8	-28	0	0	0	0	113.3
398	K	26.1	Very low	26.6	Very low	211 Å²	211	167 Å²	167	92%	0.917	83%	0.825	S	S	*	*	S	Bend	trans	-133.7	34.1	175.5	-94.1	-167.7	177.8	-175.8	0	115.4
399	A	24.1	Very low	26.8	Very low	81 Å²	81	164.8 Å²	164.8	67%	0.669	82%	0.82	S	S	*	*			trans	-142.7	32.4	171.9	0	0	0	0	0	114.3
400	F	24.6	Very low	26.8	Very low	213 Å²	213	164.8 Å²	164.8	93%	0.934	82%	0.82	S	S	*	*			trans	-107.9	60.8	167.4	-98.7	-76.9	0	0	0	110.3
401	S	25	Very low	27.1	Very low	104 Å²	104	164 Å²	164	73%	0.727	82%	0.815	S	S	*	*			trans	-164.4	68.6	166.9	61.5	0	0	0	0	112.3
402	V	27.7	Very low	27.3	Very low	141 Å²	141	157.5 Å²	157.5	86%	0.855	80%	0.801	S	S	*	*			trans	-138.5	90.9	147.5	-175.9	0	0	0	0	108.2
403	R	24.1	Very low	27.4	Very low	242 Å²	242	152.9 Å²	152.9	91%	0.913	79%	0.79	S	S	*	*			trans	-66.2	128.8	147.5	-106	173.9	172.6	167.5	-3	106.3
404	Q	27.8	Very low	27.4	Very low	185 Å²	185	148 Å²	148	86%	0.864	78%	0.778	S	S	*	*			trans	-160.4	131.7	130.6	-113.7	178.1	-15.3	0	0	112.8
405	I	25.6	Very low	27.6	Very low	155 Å²	155	144.2 Å²	144.2	80%	0.795	77%	0.772	S	S	*	*			trans	-54.6	136.8	171.8	-67.8	148.3	0	0	0	110	R407	I405-R407 HydrophobicContact CG2-CG 4.41Å
406	S	29.5	Very low	27.9	Very low	124 Å²	124	141.4 Å²	141.4	87%	0.867	77%	0.766	S	S	*	*			trans	-130	114.7	153.1	-151.9	0	0	0	0	107.8
407	R	27.6	Very low	28.1	Very low	222 Å²	222	143 Å²	143	84%	0.838	77%	0.77	S	S	*	*			trans	-57.7	138.3	-177	-78.2	172.5	167.1	168.4	-5.3	110.2	I405	I405-R407 HydrophobicContact CG2-CG 4.41Å
408	E	27.1	Very low	28.3	Very low	182 Å²	182	144.5 Å²	144.5	85%	0.85	77%	0.765	S	S	*	*			trans	-54.8	127.1	157.7	-72.1	175.9	155.7	0	0	108.3	S410	E408-S410 PolarHBondContact O-N 3.32Å; E408-S410 VanDerWaalsContact O-N 3.14Å
409	P	28.3	Very low	28.7	Very low	126 Å²	126	143 Å²	143	82%	0.818	76%	0.762	S	S	*	*			trans	-69.9	114.6	172.1	27.7	-28.6	0	0	0	107.3
410	S	28.8	Very low	29.2	Very low	90 Å²	90	147.5 Å²	147.5	63%	0.629	77%	0.769	S	S	*	*			trans	-65.7	138.3	171.7	54.3	0	0	0	0	109.5	E408 A412 G413	E408-S410 PolarHBondContact O-N 3.32Å; E408-S410 VanDerWaalsContact O-N 3.14Å; S410-A412 PolarHBondContact O-N 3.43Å; S410-G413 PolarHBondContact O-N 2.88Å; S410-G413 VanDerWaalsContact O-N 3.13Å
411	L	35	Very low	29.6	Very low	142 Å²	142	145.4 Å²	145.4	74%	0.743	77%	0.767	S	S	*	*	G	3₁₀ helix	trans	-53.5	-14.5	-179.3	-159.7	71.1	0	0	0	114	G413 M414	L411-G413 VanDerWaalsContact C-N 3.31Å; L411-G413 PolarHBondContact O-N 2.81Å; L411-M414 HydrophobicContact CD1-CE 3.7Å; L411-M414 HydrophobicContact CD1-SD 4.39Å; L411-M414 HydrophobicContact CG-CE 4.36Å; L411-M414 WeakPolarHBondContact O-CB 3.21Å; L411-M414 PolarHBondContact O-N 2.96Å
412	A	30.9	Very low	30.3	Very low	74 Å²	74	141.9 Å²	141.9	61%	0.612	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-71.3	-19.1	178.3	0	0	0	0	0	114	S410 M414 S415	S410-A412 PolarHBondContact O-N 3.43Å; A412-M414 PolarHBondContact O-N 3.33Å; A412-S415 PolarHBondContact O-OG 3.3Å
413	G	28.4	Very low	31.2	Very low	54 Å²	54	138.7 Å²	138.7	56%	0.557	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-72.4	-13.4	171.9	0	0	0	0	0	113.7	S410 L411	S410-G413 PolarHBondContact O-N 2.88Å; S410-G413 VanDerWaalsContact O-N 3.13Å; L411-G413 VanDerWaalsContact C-N 3.31Å; L411-G413 PolarHBondContact O-N 2.81Å
414	M	28.8	Very low	31.9	Very low	124 Å²	124	129.7 Å²	129.7	61%	0.611	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-86.8	-15.7	-171.5	-152.5	166.7	67.3	0	0	113.5	L411 A412	L411-M414 HydrophobicContact CD1-CE 3.7Å; L411-M414 HydrophobicContact CD1-SD 4.39Å; L411-M414 HydrophobicContact CG-CE 4.36Å; L411-M414 WeakPolarHBondContact O-CB 3.21Å; L411-M414 PolarHBondContact O-N 2.96Å; A412-M414 PolarHBondContact O-N 3.33Å
415	S	30.9	Very low	32.4	Very low	82 Å²	82	127.7 Å²	127.7	57%	0.573	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-25.2	-177.3	63.2	0	0	0	0	113.9	A412	A412-S415 PolarHBondContact O-OG 3.3Å
416	N	31.3	Very low	33.3	Very low	139 Å²	139	124.7 Å²	124.7	74%	0.743	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	-14.6	-169.9	-70.1	4	0	0	0	114.5
417	E	29.8	Very low	33.9	Very low	181 Å²	181	125.5 Å²	125.5	85%	0.846	66%	0.655	S	S	*	*	S	Bend	trans	-96.3	3.7	171.2	-83.5	-174.6	150.8	0	0	113.4	Q419	E417-Q419 PolarHBondContact O-N 3.43Å
418	F	33.9	Very low	34.6	Very low	162 Å²	162	117.4 Å²	117.4	71%	0.711	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-5.8	-175.8	-145.3	-99	0	0	0	114.1
419	Q	33.8	Very low	35.8	Very low	179 Å²	179	114.7 Å²	114.7	84%	0.836	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.3	7.1	-163.5	-134.5	178.8	-7.7	0	0	117.1	E417	E417-Q419 PolarHBondContact O-N 3.43Å
420	Q	33.4	Very low	36.8	Very low	176 Å²	176	113.8 Å²	113.8	82%	0.822	60%	0.598	S	S	*	*	S	Bend	trans	-132.7	100.7	179.3	-71.4	-174.6	-3.4	0	0	114.1	G422	Q420-G422 PolarHBondContact O-N 2.74Å
421	N	34.4	Very low	37.9	Very low	169 Å²	169	114.1 Å²	114.1	90%	0.904	59%	0.593	S	S	*	*			trans	41.9	36.3	146.8	-69.1	-10.9	0	0	0	121.2	S423	N421-S423 PolarHBondContact O-N 2.85Å; N421-S423 VanDerWaalsContact O-N 3.17Å
422	G	40.1	Very low	38.4	Very low	30 Å²	30	115 Å²	115	31%	0.309	59%	0.586	S	S	.	*			trans	-67.4	110.4	168.5	0	0	0	0	0	112.4	Q420	Q420-G422 PolarHBondContact O-N 2.74Å
423	S	45.8	Very low	39.6	Very low	75 Å²	75	115.6 Å²	115.6	52%	0.524	58%	0.576	S	S	.	*			trans	-52.8	146.1	175.9	99	0	0	0	0	111.1	N421 R425 L426 R427	N421-S423 PolarHBondContact O-N 2.85Å; N421-S423 VanDerWaalsContact O-N 3.17Å; S423-R425 PolarHBondContact O-N 2.81Å; S423-L426 WeakPolarHBondContact O-CA 3.26Å; S423-L426 VanDerWaalsContact O-CB 3.29Å; S423-L426 WeakPolarHBondContact O-CB 3.35Å; S423-L426 PolarHBondContact O-N 3.02Å; S423-R427 PolarHBondContact O-N 3.46Å
424	L	39.5	Very low	40.7	Very low	53 Å²	53	120.1 Å²	120.1	28%	0.277	58%	0.578	S	S	.	*	H	α-helix	trans	-48	-36.5	-178.5	-169.6	87.6	0	0	0	113.5	L426 R427 L428 Y578	L424-L426 VanDerWaalsContact C-N 3.32Å; L424-L426 PolarHBondContact O-N 3.2Å; L424-R427 PolarHBondContact O-N 3.49Å; L424-L428 HydrophobicContact CD2-CD1 4.13Å; L424-L428 HydrophobicContact CG-CD1 4.06Å; L424-L428 WeakPolarHBondContact O-CB 3.19Å; L424-L428 PolarHBondContact O-N 2.87Å; L424-Y578 HydrophobicContact CD1-CD1 3.59Å; L424-Y578 HydrophobicContact CD1-CE1 4.39Å; L424-Y578 HydrophobicContact CD1-CG 4.09Å
425	R	36.7	Very low	41.5	Very low	143 Å²	143	117.7 Å²	117.7	54%	0.54	57%	0.57	S	S	.	*	H	α-helix	trans	-61.2	-40.4	175.8	-85.6	-173.4	174.6	-178.6	0.1	111.8	G334 S423 K429	G334-R425 PolarHBondContact O-NH1 2.97Å; S423-R425 PolarHBondContact O-N 2.81Å; R425-K429 WeakPolarHBondContact O-CB 3.41Å; R425-K429 PolarHBondContact O-N 3.17Å
426	L	45.1	Very low	42.3	Very low	91 Å²	91	115.9 Å²	115.9	48%	0.476	55%	0.554	S	S	.	*	H	α-helix	trans	-67.7	-43.6	178.6	-143.4	98.9	0	0	0	110.6	S423 L424 K429 Q430	S423-L426 WeakPolarHBondContact O-CA 3.26Å; S423-L426 VanDerWaalsContact O-CB 3.29Å; S423-L426 WeakPolarHBondContact O-CB 3.35Å; S423-L426 PolarHBondContact O-N 3.02Å; L424-L426 VanDerWaalsContact C-N 3.32Å; L424-L426 PolarHBondContact O-N 3.2Å; L426-K429 PolarHBondContact O-N 3.47Å; L426-Q430 WeakPolarHBondContact O-CB 3.48Å; L426-Q430 VanDerWaalsContact O-CG 3.25Å; L426-Q430 WeakPolarHBondContact O-CG 3.48Å; L426-Q430 PolarHBondContact O-N 3.04Å
427	R	42.2	Very low	43.1	Very low	141 Å²	141	115.9 Å²	115.9	53%	0.532	55%	0.547	S	S	.	.	H	α-helix	trans	-62.5	-44.9	176.6	-69.4	-176.3	178.8	-177.1	-1.5	112.1	S423 L424 Q430 L431	S423-R427 PolarHBondContact O-N 3.46Å; L424-R427 PolarHBondContact O-N 3.49Å; R427-Q430 PolarHBondContact O-N 3.2Å; R427-L431 WeakPolarHBondContact O-CB 3.41Å; R427-L431 PolarHBondContact O-N 3.24Å
428	L	42	Very low	44.1	Very low	52 Å²	52	110.2 Å²	110.2	27%	0.272	52%	0.52	S	S	.	.	H	α-helix	trans	-66.7	-40.3	176.7	-78.7	165.1	0	0	0	112.1	L424 L431 W432 I575	L424-L428 HydrophobicContact CD2-CD1 4.13Å; L424-L428 HydrophobicContact CG-CD1 4.06Å; L424-L428 WeakPolarHBondContact O-CB 3.19Å; L424-L428 PolarHBondContact O-N 2.87Å; L428-L431 PolarHBondContact O-N 2.81Å; L428-W432 VanDerWaalsContact O-CB 3.24Å; L428-W432 WeakPolarHBondContact O-CB 3.23Å; L428-W432 PolarHBondContact O-N 3.34Å; L428-I575 HydrophobicContact CD2-CG1 4.21Å
429	K	52	Low	44.6	Very low	125 Å²	125	105.5 Å²	105.5	54%	0.543	50%	0.5	S	S	.	.	H	α-helix	trans	-64.1	-44.8	175.3	-175.8	175.5	173.3	-179.6	0	111	R425 L426 L431 W432 E433	R425-K429 WeakPolarHBondContact O-CB 3.41Å; R425-K429 PolarHBondContact O-N 3.17Å; L426-K429 PolarHBondContact O-N 3.47Å; K429-L431 PolarHBondContact O-N 3.42Å; K429-W432 PolarHBondContact O-N 2.97Å; K429-E433 WeakPolarHBondContact CE-OE1 3.43Å; K429-E433 HydrophobicContact CG-CG 4.38Å; K429-E433 WeakPolarHBondContact CG-OE1 3.29Å; K429-E433 IonicContact NZ-OE1 3.99Å; K429-E433 VanDerWaalsContact O-CB 3.28Å; K429-E433 WeakPolarHBondContact O-CB 3.5Å; K429-E433 VanDerWaalsContact O-CG 3.26Å; K429-E433 WeakPolarHBondContact O-CG 3.29Å; K429-E433 PolarHBondContact O-N 2.91Å
430	Q	50.9	Low	45.2	Very low	108 Å²	108	103 Å²	103	51%	0.505	49%	0.489	S	S	.	.	H	α-helix	trans	-64.3	-38.4	175.5	-76.4	173.5	-19.8	0	0	112.5	L426 R427 Y434	L426-Q430 WeakPolarHBondContact O-CB 3.48Å; L426-Q430 VanDerWaalsContact O-CG 3.25Å; L426-Q430 WeakPolarHBondContact O-CG 3.48Å; L426-Q430 PolarHBondContact O-N 3.04Å; R427-Q430 PolarHBondContact O-N 3.2Å; Q430-Y434 WeakPolarHBondContact O-CB 3.3Å; Q430-Y434 PolarHBondContact O-N 2.71Å
431	L	50.3	Low	45.9	Very low	97 Å²	97	100.6 Å²	100.6	51%	0.508	48%	0.476	S	S	.	.	H	α-helix	trans	-69.3	-39.1	176.6	-138.4	147.5	0	0	0	110.8	R427 L428 K429 Y434 V435	R427-L431 WeakPolarHBondContact O-CB 3.41Å; R427-L431 PolarHBondContact O-N 3.24Å; L428-L431 PolarHBondContact O-N 2.81Å; K429-L431 PolarHBondContact O-N 3.42Å; L431-Y434 PolarHBondContact O-N 3.06Å; L431-V435 HydrophobicContact CD2-CG2 4.43Å; L431-V435 WeakPolarHBondContact O-CB 3.49Å; L431-V435 VanDerWaalsContact O-CG2 3.22Å; L431-V435 WeakPolarHBondContact O-CG2 3.45Å; L431-V435 PolarHBondContact O-N 3.26Å
432	W	46.4	Very low	46.3	Very low	160 Å²	160	98 Å²	98	61%	0.606	46%	0.461	S	S	*	.	H	α-helix	trans	-66.1	-43.9	173.5	-171.6	78.9	0	0	0	111.8	L428 K429 V435 N436	L428-W432 VanDerWaalsContact O-CB 3.24Å; L428-W432 WeakPolarHBondContact O-CB 3.23Å; L428-W432 PolarHBondContact O-N 3.34Å; K429-W432 PolarHBondContact O-N 2.97Å; W432-V435 PolarHBondContact O-N 2.94Å; W432-N436 VanDerWaalsContact CD2-ND2 3.3Å; W432-N436 WeakPolarHBondContact CH2-ND2 3.4Å; W432-N436 WeakPolarHBondContact CZ2-ND2 3.45Å; W432-N436 WeakPolarHBondContact CZ3-ND2 3.47Å; W432-N436 WeakPolarHBondContact O-CB 3.4Å; W432-N436 PolarHBondContact O-N 2.92Å; W432-N436 PolarHBondContact O-ND2 3.4Å
433	E	55.7	Low	46.2	Very low	87 Å²	87	103.1 Å²	103.1	41%	0.407	48%	0.477	S	S	.	.	H	α-helix	trans	-65.3	-39	173.3	-76.3	173.5	-179.2	0	0	111.7	K429 N436 K437	K429-E433 WeakPolarHBondContact CE-OE1 3.43Å; K429-E433 HydrophobicContact CG-CG 4.38Å; K429-E433 WeakPolarHBondContact CG-OE1 3.29Å; K429-E433 IonicContact NZ-OE1 3.99Å; K429-E433 VanDerWaalsContact O-CB 3.28Å; K429-E433 WeakPolarHBondContact O-CB 3.5Å; K429-E433 VanDerWaalsContact O-CG 3.26Å; K429-E433 WeakPolarHBondContact O-CG 3.29Å; K429-E433 PolarHBondContact O-N 2.91Å; E433-N436 CarbonylContact O-C 3.44Å; E433-N436 PolarHBondContact O-N 3.41Å; E433-K437 WeakPolarHBondContact O-CA 3.39Å; E433-K437 WeakPolarHBondContact O-CB 3.27Å; E433-K437 PolarHBondContact O-N 3.12Å
434	Y	51.9	Low	45.7	Very low	149 Å²	149	102.4 Å²	102.4	58%	0.584	48%	0.482	S	S	*	.	H	α-helix	trans	-63.9	-45.8	174.7	175.2	-94	0	0	0	111	Q430 L431 N436 K437 E438	Q430-Y434 WeakPolarHBondContact O-CB 3.3Å; Q430-Y434 PolarHBondContact O-N 2.71Å; L431-Y434 PolarHBondContact O-N 3.06Å; Y434-N436 VanDerWaalsContact C-N 3.35Å; Y434-K437 PolarHBondContact O-N 3.36Å; Y434-E438 HydrophobicContact CD1-CG 4.32Å; Y434-E438 HydrophobicContact CD2-CG 4.44Å; Y434-E438 HydrophobicContact CE1-CG 3.88Å; Y434-E438 HydrophobicContact CE2-CG 4.02Å; Y434-E438 VanDerWaalsContact O-CB 3.32Å; Y434-E438 WeakPolarHBondContact O-CB 3.25Å; Y434-E438 WeakPolarHBondContact O-CG 3.38Å; Y434-E438 PolarHBondContact O-N 2.94Å
435	V	46.2	Very low	45.8	Very low	73 Å²	73	103.9 Å²	103.9	44%	0.442	50%	0.496	S	S	.	.	H	α-helix	trans	-60.4	-46.4	175.3	169.4	0	0	0	0	110.3	L431 W432 E439	L431-V435 HydrophobicContact CD2-CG2 4.43Å; L431-V435 WeakPolarHBondContact O-CB 3.49Å; L431-V435 VanDerWaalsContact O-CG2 3.22Å; L431-V435 WeakPolarHBondContact O-CG2 3.45Å; L431-V435 PolarHBondContact O-N 3.26Å; W432-V435 PolarHBondContact O-N 2.94Å; V435-E439 WeakPolarHBondContact O-CB 3.34Å; V435-E439 PolarHBondContact O-N 3.49Å
436	N	47	Very low	45.8	Very low	44 Å²	44	106.1 Å²	106.1	24%	0.235	51%	0.51	C	S	.	.	H	α-helix	trans	-68.5	-34	178.1	-70.8	-11.7	0	0	0	112.9	W432 E433 Y434 E439 E440	W432-N436 VanDerWaalsContact CD2-ND2 3.3Å; W432-N436 WeakPolarHBondContact CH2-ND2 3.4Å; W432-N436 WeakPolarHBondContact CZ2-ND2 3.45Å; W432-N436 WeakPolarHBondContact CZ3-ND2 3.47Å; W432-N436 WeakPolarHBondContact O-CB 3.4Å; W432-N436 PolarHBondContact O-N 2.92Å; W432-N436 PolarHBondContact O-ND2 3.4Å; E433-N436 CarbonylContact O-C 3.44Å; E433-N436 PolarHBondContact O-N 3.41Å; Y434-N436 VanDerWaalsContact C-N 3.35Å; N436-E439 CarbonylContact O-C 3.6Å; N436-E439 WeakPolarHBondContact O-CA 3.44Å; N436-E439 WeakPolarHBondContact O-CB 3.3Å; N436-E439 PolarHBondContact O-N 3.39Å; N436-E440 WeakPolarHBondContact O-CG 3.39Å; N436-E440 PolarHBondContact O-N 2.91Å
437	K	48	Very low	45.7	Very low	138 Å²	138	109.1 Å²	109.1	60%	0.6	52%	0.522	S	S	*	.	H	α-helix	trans	-79.5	-32.2	-179.2	-161.4	175.4	-168.4	175.8	0	111.6	E433 Y434 E439 E440 K441	E433-K437 WeakPolarHBondContact O-CA 3.39Å; E433-K437 WeakPolarHBondContact O-CB 3.27Å; E433-K437 PolarHBondContact O-N 3.12Å; Y434-K437 PolarHBondContact O-N 3.36Å; K437-E439 VanDerWaalsContact C-N 3.3Å; K437-E440 PolarHBondContact O-N 3.26Å; K437-K441 WeakPolarHBondContact O-CG 3.26Å; K437-K441 PolarHBondContact O-N 3.32Å
438	E	50.1	Low	45.9	Very low	63 Å²	63	105.6 Å²	105.6	29%	0.294	51%	0.512	S	S	.	.	H	α-helix	trans	-65.4	-36.6	163.8	-76.7	-65.6	121.4	0	0	110.7	Y434 K441 L442	Y434-E438 HydrophobicContact CD1-CG 4.32Å; Y434-E438 HydrophobicContact CD2-CG 4.44Å; Y434-E438 HydrophobicContact CE1-CG 3.88Å; Y434-E438 HydrophobicContact CE2-CG 4.02Å; Y434-E438 VanDerWaalsContact O-CB 3.32Å; Y434-E438 WeakPolarHBondContact O-CB 3.25Å; Y434-E438 WeakPolarHBondContact O-CG 3.38Å; Y434-E438 PolarHBondContact O-N 2.94Å; E438-K441 PolarHBondContact O-N 3.13Å; E438-K441 IonicContact OE1-NZ 2.81Å; E438-K441 PolarHBondContact OE1-NZ 3.14Å; E438-L442 VanDerWaalsContact O-CD1 3.22Å; E438-L442 WeakPolarHBondContact O-CD1 3.37Å; E438-L442 PolarHBondContact O-N 2.69Å
439	E	45.4	Very low	46.1	Very low	62 Å²	62	105.5 Å²	105.5	29%	0.29	52%	0.516	S	S	.	.	H	α-helix	trans	-66.6	-41.5	172.8	-157	164.4	-159.3	0	0	111.3	N61 V435 N436 K437 L442 Q443	N61-E439 PolarHBondContact ND2-OE1 3.09Å; V435-E439 WeakPolarHBondContact O-CB 3.34Å; V435-E439 PolarHBondContact O-N 3.49Å; N436-E439 CarbonylContact O-C 3.6Å; N436-E439 WeakPolarHBondContact O-CA 3.44Å; N436-E439 WeakPolarHBondContact O-CB 3.3Å; N436-E439 PolarHBondContact O-N 3.39Å; K437-E439 VanDerWaalsContact C-N 3.3Å; E439-L442 CarbonylContact O-C 3.58Å; E439-L442 WeakPolarHBondContact O-CA 3.46Å; E439-L442 WeakPolarHBondContact O-CB 3.47Å; E439-L442 PolarHBondContact O-N 3.2Å; E439-L442 VanDerWaalsContact O-N 3.08Å; E439-Q443 WeakPolarHBondContact O-CB 3.48Å; E439-Q443 PolarHBondContact O-N 2.93Å
440	E	46.5	Very low	45.7	Very low	128 Å²	128	105.5 Å²	105.5	60%	0.598	52%	0.522	S	S	*	.	H	α-helix	trans	-68.7	-28.5	171.5	-77	-179.5	175.4	0	0	113	N436 K437 L442 G444	N436-E440 WeakPolarHBondContact O-CG 3.39Å; N436-E440 PolarHBondContact O-N 2.91Å; K437-E440 PolarHBondContact O-N 3.26Å; E440-L442 VanDerWaalsContact C-N 3.29Å; E440-G444 WeakPolarHBondContact O-CA 3.25Å; E440-G444 PolarHBondContact O-N 3.37Å
441	K	48.2	Very low	45.4	Very low	124 Å²	124	103.4 Å²	103.4	54%	0.539	52%	0.523	S	S	.	.	H	α-helix	trans	-69.3	-32.7	168.4	-76.9	177.8	-167.7	166.5	0	111.3	K437 E438 S445	K437-K441 WeakPolarHBondContact O-CG 3.26Å; K437-K441 PolarHBondContact O-N 3.32Å; E438-K441 PolarHBondContact O-N 3.13Å; E438-K441 IonicContact OE1-NZ 2.81Å; E438-K441 PolarHBondContact OE1-NZ 3.14Å; K441-S445 WeakPolarHBondContact O-CB 3.28Å; K441-S445 PolarHBondContact O-N 3.2Å; K441-S445 PolarHBondContact O-OG 2.97Å
442	L	41.5	Very low	45.1	Very low	116 Å²	116	102.8 Å²	102.8	61%	0.607	52%	0.521	S	S	*	.	H	α-helix	trans	-74.1	-34.7	172.9	-97	98.8	0	0	0	113.1	E438 E439 E440	E438-L442 VanDerWaalsContact O-CD1 3.22Å; E438-L442 WeakPolarHBondContact O-CD1 3.37Å; E438-L442 PolarHBondContact O-N 2.69Å; E439-L442 CarbonylContact O-C 3.58Å; E439-L442 WeakPolarHBondContact O-CA 3.46Å; E439-L442 WeakPolarHBondContact O-CB 3.47Å; E439-L442 PolarHBondContact O-N 3.2Å; E439-L442 VanDerWaalsContact O-N 3.08Å; E440-L442 VanDerWaalsContact C-N 3.29Å
443	Q	39.9	Very low	45.2	Very low	137 Å²	137	96.2 Å²	96.2	64%	0.64	50%	0.497	S	S	*	.	H	α-helix	trans	-91.4	-37.1	-178.9	-108.9	163	-31.9	0	0	113.6	E439	E439-Q443 WeakPolarHBondContact O-CB 3.48Å; E439-Q443 PolarHBondContact O-N 2.93Å
444	G	33.9	Very low	44.7	Very low	60 Å²	60	96.4 Å²	96.4	62%	0.619	50%	0.5	S	S	*	.	H	α-helix	trans	-86.4	-10.1	-179.8	0	0	0	0	0	113.9	E440 K446	E440-G444 WeakPolarHBondContact O-CA 3.25Å; E440-G444 PolarHBondContact O-N 3.37Å; G444-K446 PolarHBondContact O-N 3.05Å
445	S	41.8	Very low	44.5	Very low	83 Å²	83	91 Å²	91	58%	0.58	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	90.7	143.4	-81.9	0	0	0	0	105.8	K441 E447	K441-S445 WeakPolarHBondContact O-CB 3.28Å; K441-S445 PolarHBondContact O-N 3.2Å; K441-S445 PolarHBondContact O-OG 2.97Å; S445-E447 VanDerWaalsContact C-N 3.3Å; S445-E447 PolarHBondContact O-N 3.22Å
446	K	36.8	Very low	44.6	Very low	191 Å²	191	89.9 Å²	89.9	83%	0.83	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-33.2	101.8	173.4	-86.7	-177.8	175.4	178.3	0	107.1	G444 I448	G444-K446 PolarHBondContact O-N 3.05Å; K446-I448 PolarHBondContact O-N 3.17Å
447	E	43	Very low	44.5	Very low	154 Å²	154	92.1 Å²	92.1	72%	0.72	49%	0.489	S	S	*	.			trans	-62.8	99.7	177	-118.4	-176	166.8	0	0	102.4	S445 S449	S445-E447 VanDerWaalsContact C-N 3.3Å; S445-E447 PolarHBondContact O-N 3.22Å; E447-S449 VanDerWaalsContact C-N 3.29Å; E447-S449 PolarHBondContact O-N 3.29Å
448	I	46.1	Very low	44.4	Very low	66 Å²	66	91.3 Å²	91.3	34%	0.338	49%	0.488	S	S	.	.			trans	-48	108.5	168.3	-65.2	174.9	0	0	0	103.3	K446 D452 L453	K446-I448 PolarHBondContact O-N 3.17Å; I448-D452 HydrophobicContact CB-CB 4.42Å; I448-D452 HydrophobicContact CG2-CB 3.47Å; I448-D452 VanDerWaalsContact CG2-CB 3.47Å; I448-L453 HydrophobicContact CG2-CB 3.96Å; I448-L453 HydrophobicContact CG2-CD1 3.82Å
449	S	45.8	Very low	44.2	Very low	50 Å²	50	95.5 Å²	95.5	35%	0.35	51%	0.507	S	S	.	.			trans	-58.6	154.2	-174.9	70.2	0	0	0	0	107.1	E447 A451 D452 L453	E447-S449 VanDerWaalsContact C-N 3.29Å; E447-S449 PolarHBondContact O-N 3.29Å; S449-A451 CarbonylContact O-C 3.47Å; S449-A451 PolarHBondContact O-N 3.18Å; S449-A451 WeakPolarHBondContact OG-CB 3.28Å; S449-A451 PolarHBondContact OG-N 2.97Å; S449-D452 WeakPolarHBondContact CB-OD2 3.26Å; S449-D452 PolarHBondContact N-OD2 2.98Å; S449-D452 PolarHBondContact O-N 3.43Å; S449-D452 PolarHBondContact OG-N 3.33Å; S449-D452 PolarHBondContact OG-OD2 3.37Å; S449-L453 PolarHBondContact O-N 3.36Å
450	N	45.2	Very low	44.2	Very low	126 Å²	126	94.4 Å²	94.4	67%	0.674	51%	0.505	S	S	*	.	H	α-helix	trans	-52.1	-28.5	174.3	-72	-37.9	0	0	0	111	I454	N450-I454 VanDerWaalsContact O-CD1 3.31Å; N450-I454 WeakPolarHBondContact O-CD1 3.35Å; N450-I454 WeakPolarHBondContact O-CG1 3.42Å; N450-I454 PolarHBondContact O-N 3.47Å; N450-I454 VanDerWaalsContact O-N 3.09Å
451	A	43.3	Very low	43.8	Very low	64 Å²	64	95.7 Å²	95.7	53%	0.529	51%	0.513	S	S	.	.	H	α-helix	trans	-69	-46.8	171.4	0	0	0	0	0	113.4	S449 L453 I454 A455	S449-A451 CarbonylContact O-C 3.47Å; S449-A451 PolarHBondContact O-N 3.18Å; S449-A451 WeakPolarHBondContact OG-CB 3.28Å; S449-A451 PolarHBondContact OG-N 2.97Å; A451-L453 PolarHBondContact O-N 3.4Å; A451-I454 PolarHBondContact O-N 2.94Å; A451-A455 WeakPolarHBondContact O-CB 3.3Å; A451-A455 PolarHBondContact O-N 3.31Å
452	D	45.3	Very low	43.6	Very low	84 Å²	84	95.5 Å²	95.5	45%	0.449	52%	0.522	S	S	.	.	H	α-helix	trans	-63.6	-32.4	175.2	-61.5	-50.2	0	0	0	111.7	I448 S449 A455 V456	I448-D452 HydrophobicContact CB-CB 4.42Å; I448-D452 HydrophobicContact CG2-CB 3.47Å; I448-D452 VanDerWaalsContact CG2-CB 3.47Å; S449-D452 WeakPolarHBondContact CB-OD2 3.26Å; S449-D452 PolarHBondContact N-OD2 2.98Å; S449-D452 PolarHBondContact O-N 3.43Å; S449-D452 PolarHBondContact OG-N 3.33Å; S449-D452 PolarHBondContact OG-OD2 3.37Å; D452-A455 PolarHBondContact O-N 2.91Å; D452-V456 WeakPolarHBondContact O-CB 3.32Å; D452-V456 WeakPolarHBondContact O-CG2 3.31Å; D452-V456 PolarHBondContact O-N 3.39Å
453	L	48.3	Very low	43.6	Very low	22 Å²	22	92.3 Å²	92.3	12%	0.115	51%	0.509	C	S	.	.	H	α-helix	trans	-67.6	-42.8	176.2	-157.3	70.5	0	0	0	111	I448 S449 A451 M457 V483	I448-L453 HydrophobicContact CG2-CB 3.96Å; I448-L453 HydrophobicContact CG2-CD1 3.82Å; S449-L453 PolarHBondContact O-N 3.36Å; A451-L453 PolarHBondContact O-N 3.4Å; L453-M457 WeakPolarHBondContact O-CG 3.25Å; L453-M457 PolarHBondContact O-N 2.95Å; L453-M457 VanDerWaalsContact O-N 3.07Å; L453-V483 HydrophobicContact CD1-CB 4.38Å; L453-V483 HydrophobicContact CD1-CG2 3.37Å; L453-V483 HydrophobicContact CD2-CB 4.42Å; L453-V483 HydrophobicContact CD2-CG1 3.9Å; L453-V483 HydrophobicContact CD2-CG2 4.13Å; L453-V483 HydrophobicContact CG-CG1 4.34Å; L453-V483 HydrophobicContact CG-CG2 3.79Å
454	I	45.3	Very low	44.2	Very low	91 Å²	91	92.4 Å²	92.4	47%	0.467	51%	0.514	S	S	.	.	H	α-helix	trans	-63.9	-45.9	172.3	-69.9	163.4	0	0	0	109.9	N450 A451 V456 M457 E458	N450-I454 VanDerWaalsContact O-CD1 3.31Å; N450-I454 WeakPolarHBondContact O-CD1 3.35Å; N450-I454 WeakPolarHBondContact O-CG1 3.42Å; N450-I454 PolarHBondContact O-N 3.47Å; N450-I454 VanDerWaalsContact O-N 3.09Å; A451-I454 PolarHBondContact O-N 2.94Å; I454-V456 PolarHBondContact O-N 3.05Å; I454-M457 CarbonylContact O-C 3.58Å; I454-M457 WeakPolarHBondContact O-CA 3.45Å; I454-M457 WeakPolarHBondContact O-CB 3.48Å; I454-M457 PolarHBondContact O-N 2.93Å; I454-M457 VanDerWaalsContact O-N 3.1Å; I454-E458 HydrophobicContact CG2-CG 4.38Å; I454-E458 WeakPolarHBondContact O-CG 3.23Å; I454-E458 PolarHBondContact O-N 3.49Å
455	A	46.2	Very low	45.2	Very low	35 Å²	35	91.9 Å²	91.9	29%	0.289	50%	0.501	S	S	.	.	H	α-helix	trans	-63.4	-38.9	179.2	0	0	0	0	0	112.4	A451 D452 E458 Q459	A451-A455 WeakPolarHBondContact O-CB 3.3Å; A451-A455 PolarHBondContact O-N 3.31Å; D452-A455 PolarHBondContact O-N 2.91Å; A455-E458 PolarHBondContact O-N 2.91Å; A455-Q459 WeakPolarHBondContact O-CB 3.29Å; A455-Q459 WeakPolarHBondContact O-CG 3.3Å; A455-Q459 PolarHBondContact O-N 3.24Å
456	V	49.3	Very low	45.7	Very low	50 Å²	50	91.3 Å²	91.3	30%	0.303	50%	0.501	S	S	.	.	H	α-helix	trans	-64.7	-40.9	173.3	168.9	0	0	0	0	110.6	D452 I454 Q459 T460 V479	D452-V456 WeakPolarHBondContact O-CB 3.32Å; D452-V456 WeakPolarHBondContact O-CG2 3.31Å; D452-V456 PolarHBondContact O-N 3.39Å; I454-V456 PolarHBondContact O-N 3.05Å; V456-Q459 PolarHBondContact O-N 3.11Å; V456-T460 PolarHBondContact O-N 2.99Å; V456-T460 VanDerWaalsContact O-N 3.13Å; V456-T460 PolarHBondContact O-OG1 3.38Å; V456-V479 HydrophobicContact CG1-CG1 3.61Å
457	M	44.9	Very low	46.6	Very low	90 Å²	90	87.4 Å²	87.4	44%	0.443	49%	0.493	S	S	.	.	H	α-helix	trans	-63.9	-38.8	173.8	-76.3	179.6	57.6	0	0	112.7	L453 I454 T460	L453-M457 WeakPolarHBondContact O-CG 3.25Å; L453-M457 PolarHBondContact O-N 2.95Å; L453-M457 VanDerWaalsContact O-N 3.07Å; I454-M457 CarbonylContact O-C 3.58Å; I454-M457 WeakPolarHBondContact O-CA 3.45Å; I454-M457 WeakPolarHBondContact O-CB 3.48Å; I454-M457 PolarHBondContact O-N 2.93Å; I454-M457 VanDerWaalsContact O-N 3.1Å; M457-T460 PolarHBondContact O-OG1 2.78Å; M457-T460 VanDerWaalsContact O-OG1 3.08Å
458	E	45.2	Very low	46.9	Very low	121 Å²	121	83.4 Å²	83.4	57%	0.565	48%	0.477	S	S	*	.	H	α-helix	trans	-69.9	-41.7	177.3	-73	174.9	171.6	0	0	111.4	I454 A455 T460 M461	I454-E458 HydrophobicContact CG2-CG 4.38Å; I454-E458 WeakPolarHBondContact O-CG 3.23Å; I454-E458 PolarHBondContact O-N 3.49Å; A455-E458 PolarHBondContact O-N 2.91Å; E458-T460 VanDerWaalsContact C-N 3.34Å; E458-T460 PolarHBondContact O-N 3.14Å; E458-M461 PolarHBondContact O-N 3.33Å; E458-M461 VanDerWaalsContact O-N 3.14Å
459	Q	46.1	Very low	47	Very low	151 Å²	151	85.4 Å²	85.4	71%	0.706	48%	0.484	S	S	*	.	H	α-helix	trans	-65	-34	177.7	-81	-178.5	-1.6	0	0	113.1	A455 V456 M461	A455-Q459 WeakPolarHBondContact O-CB 3.29Å; A455-Q459 WeakPolarHBondContact O-CG 3.3Å; A455-Q459 PolarHBondContact O-N 3.24Å; V456-Q459 PolarHBondContact O-N 3.11Å; Q459-M461 PolarHBondContact O-N 2.67Å
460	T	45.5	Very low	47.4	Very low	40 Å²	40	87.3 Å²	87.3	25%	0.245	49%	0.493	C	S	.	.	H	α-helix	trans	-64.8	-20.6	175.4	18.3	0	0	0	0	113.1	V456 M457 E458 D476	V456-T460 PolarHBondContact O-N 2.99Å; V456-T460 VanDerWaalsContact O-N 3.13Å; V456-T460 PolarHBondContact O-OG1 3.38Å; M457-T460 PolarHBondContact O-OG1 2.78Å; M457-T460 VanDerWaalsContact O-OG1 3.08Å; E458-T460 VanDerWaalsContact C-N 3.34Å; E458-T460 PolarHBondContact O-N 3.14Å; T460-D476 HydrophobicContact CG2-CB 4.32Å
461	M	38.9	Very low	47.1	Very low	155 Å²	155	88.4 Å²	88.4	76%	0.764	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-9.9	-176.5	-65.9	-171.3	-179.9	0	0	115.4	E458 Q459	E458-M461 PolarHBondContact O-N 3.33Å; E458-M461 VanDerWaalsContact O-N 3.14Å; Q459-M461 PolarHBondContact O-N 2.67Å
462	V	43.1	Very low	47.2	Very low	119 Å²	119	87.6 Å²	87.6	72%	0.721	48%	0.475	S	S	*	.	S	Bend	trans	-111.1	-5.9	-161.5	-178.4	0	0	0	0	117
463	S	42.4	Very low	47.4	Very low	49 Å²	49	92 Å²	92	34%	0.343	49%	0.485	S	S	.	.			trans	-115.8	150	-178.6	150.1	0	0	0	0	114.1	R472	S463-R472 VanDerWaalsContact C-CZ 3.45Å; S463-R472 VanDerWaalsContact C-NH1 3.26Å; S463-R472 PolarHBondContact O-NH1 2.86Å; S463-R472 PolarHBondContact O-NH2 2.91Å; S463-R472 PolarHBondContact OG-NH1 2.89Å; S463-R472 PolarHBondContact OG-NH2 3.43Å
464	N	51	Low	47.5	Very low	140 Å²	140	96.5 Å²	96.5	75%	0.749	51%	0.509	S	S	*	.			trans	-122.9	2.8	-163.3	-85	-15.9	0	0	0	117.8	K469	N464-K469 WeakPolarHBondContact O-CE 3.46Å
465	S	54.9	Low	47.6	Very low	48 Å²	48	96.8 Å²	96.8	34%	0.336	51%	0.51	S	S	.	.			trans	-69.4	147.7	179.2	137.6	0	0	0	0	113.7	T467 D468 K469 R472	S465-T467 PolarHBondContact OG-OG1 3.04Å; S465-D468 WeakPolarHBondContact CB-OD2 3.31Å; S465-D468 CarbonylContact O-C 3.44Å; S465-D468 WeakPolarHBondContact O-CB 3.15Å; S465-D468 PolarHBondContact O-N 3.1Å; S465-D468 WeakPolarHBondContact OG-CB 3.39Å; S465-D468 VanDerWaalsContact OG-CG 3.25Å; S465-D468 PolarHBondContact OG-N 3.24Å; S465-D468 PolarHBondContact OG-OD2 3.49Å; S465-K469 WeakPolarHBondContact O-CG 3.36Å; S465-K469 PolarHBondContact O-N 3.4Å; S465-R472 PolarHBondContact O-NH2 2.88Å
466	A	54	Low	48.2	Very low	72 Å²	72	98.4 Å²	98.4	60%	0.595	51%	0.514	S	S	*	.	H	α-helix	trans	-74	-40.3	-172	0	0	0	0	0	115	D468 K469 V470	A466-D468 VanDerWaalsContact C-N 3.27Å; A466-K469 WeakPolarHBondContact O-CB 3.41Å; A466-K469 PolarHBondContact O-N 2.92Å; A466-K469 VanDerWaalsContact O-N 3.13Å; A466-V470 PolarHBondContact O-N 3.45Å
467	T	54.2	Low	48.7	Very low	108 Å²	108	102.5 Å²	102.5	66%	0.663	53%	0.528	S	S	*	.	H	α-helix	trans	-67.2	-34.4	169.5	39.6	0	0	0	0	110.8	S465 K469 V470 K471	S465-T467 PolarHBondContact OG-OG1 3.04Å; T467-K469 VanDerWaalsContact C-N 3.28Å; T467-K469 PolarHBondContact O-N 3.39Å; T467-V470 PolarHBondContact O-N 3.3Å; T467-K471 PolarHBondContact O-N 3.03Å
468	D	49.3	Very low	49.4	Very low	71 Å²	71	100.5 Å²	100.5	38%	0.38	52%	0.523	S	S	.	.	H	α-helix	trans	-69	-23.8	171	-64.8	-29.3	0	0	0	112.3	S465 A466 R472	S465-D468 WeakPolarHBondContact CB-OD2 3.31Å; S465-D468 CarbonylContact O-C 3.44Å; S465-D468 WeakPolarHBondContact O-CB 3.15Å; S465-D468 PolarHBondContact O-N 3.1Å; S465-D468 WeakPolarHBondContact OG-CB 3.39Å; S465-D468 VanDerWaalsContact OG-CG 3.25Å; S465-D468 PolarHBondContact OG-N 3.24Å; S465-D468 PolarHBondContact OG-OD2 3.49Å; A466-D468 VanDerWaalsContact C-N 3.27Å; D468-R472 WeakPolarHBondContact O-CA 3.3Å; D468-R472 WeakPolarHBondContact O-CB 3.29Å; D468-R472 VanDerWaalsContact O-CG 3.3Å; D468-R472 WeakPolarHBondContact O-CG 3.29Å; D468-R472 PolarHBondContact O-N 2.84Å; D468-R472 PolarHBondContact O-NE 2.95Å
469	K	48.5	Very low	50.1	Low	108 Å²	108	95.9 Å²	95.9	47%	0.47	50%	0.503	S	S	.	.	H	α-helix	trans	-68.1	-43.5	174.9	-76.1	171.7	-169.1	-178.5	0	111.8	N464 S465 A466 T467 R473	N464-K469 WeakPolarHBondContact O-CE 3.46Å; S465-K469 WeakPolarHBondContact O-CG 3.36Å; S465-K469 PolarHBondContact O-N 3.4Å; A466-K469 WeakPolarHBondContact O-CB 3.41Å; A466-K469 PolarHBondContact O-N 2.92Å; A466-K469 VanDerWaalsContact O-N 3.13Å; T467-K469 VanDerWaalsContact C-N 3.28Å; T467-K469 PolarHBondContact O-N 3.39Å; K469-R473 WeakPolarHBondContact O-CG 3.12Å; K469-R473 PolarHBondContact O-N 3.22Å
470	V	54.6	Low	50.8	Low	90 Å²	90	90.7 Å²	90.7	55%	0.545	48%	0.479	S	S	.	.	H	α-helix	trans	-72.5	-46.3	179.4	-179.3	0	0	0	0	111.1	A466 T467 R472 R473 L474	A466-V470 PolarHBondContact O-N 3.45Å; T467-V470 PolarHBondContact O-N 3.3Å; V470-R472 VanDerWaalsContact C-N 3.33Å; V470-R472 PolarHBondContact O-N 2.86Å; V470-R473 PolarHBondContact O-N 3.48Å; V470-L474 PolarHBondContact O-N 2.87Å; V470-L474 VanDerWaalsContact O-N 3.15Å
471	K	39.8	Very low	51.4	Low	149 Å²	149	96.8 Å²	96.8	65%	0.648	50%	0.498	S	S	*	.	H	α-helix	trans	-60.7	-39.3	172.4	-79.6	-176.6	179	177	0	111.7	T467 L474 I475	T467-K471 PolarHBondContact O-N 3.03Å; K471-L474 PolarHBondContact O-N 2.85Å; K471-I475 HydrophobicContact CB-CD1 4.46Å; K471-I475 VanDerWaalsContact O-CB 3.31Å; K471-I475 WeakPolarHBondContact O-CB 3.34Å; K471-I475 VanDerWaalsContact O-CG1 3.24Å; K471-I475 WeakPolarHBondContact O-CG1 3.48Å; K471-I475 PolarHBondContact O-N 3.41Å
472	R	44	Very low	52.5	Low	47 Å²	47	96.2 Å²	96.2	18%	0.177	49%	0.487	C	S	.	.	H	α-helix	trans	-58.1	-52.6	169	-96	-176.6	-81.6	-97.9	-5.3	111.5	S463 S465 D468 V470 L474 I475 D476	S463-R472 VanDerWaalsContact C-CZ 3.45Å; S463-R472 VanDerWaalsContact C-NH1 3.26Å; S463-R472 PolarHBondContact O-NH1 2.86Å; S463-R472 PolarHBondContact O-NH2 2.91Å; S463-R472 PolarHBondContact OG-NH1 2.89Å; S463-R472 PolarHBondContact OG-NH2 3.43Å; S465-R472 PolarHBondContact O-NH2 2.88Å; D468-R472 WeakPolarHBondContact O-CA 3.3Å; D468-R472 WeakPolarHBondContact O-CB 3.29Å; D468-R472 VanDerWaalsContact O-CG 3.3Å; D468-R472 WeakPolarHBondContact O-CG 3.29Å; D468-R472 PolarHBondContact O-N 2.84Å; D468-R472 PolarHBondContact O-NE 2.95Å; V470-R472 VanDerWaalsContact C-N 3.33Å; V470-R472 PolarHBondContact O-N 2.86Å; R472-L474 PolarHBondContact O-N 3.31Å; R472-L474 VanDerWaalsContact O-N 3.13Å; R472-I475 PolarHBondContact O-N 3.41Å; R472-D476 WeakPolarHBondContact O-CA 3.32Å; R472-D476 WeakPolarHBondContact O-CB 3.49Å; R472-D476 PolarHBondContact O-N 3.26Å
473	R	49.4	Very low	53.1	Low	176 Å²	176	91 Å²	91	66%	0.664	46%	0.456	S	S	*	.	H	α-helix	trans	-55.2	-36.8	-177.5	-77.7	177.5	-172.8	-175.2	2.7	112.3	K469 V470 K477	K469-R473 WeakPolarHBondContact O-CG 3.12Å; K469-R473 PolarHBondContact O-N 3.22Å; V470-R473 PolarHBondContact O-N 3.48Å; R473-K477 WeakPolarHBondContact O-CB 3.33Å; R473-K477 WeakPolarHBondContact O-CD 3.45Å; R473-K477 WeakPolarHBondContact O-CG 3.45Å; R473-K477 PolarHBondContact O-N 2.84Å
474	L	51	Low	53.9	Low	117 Å²	117	90.9 Å²	90.9	61%	0.613	45%	0.453	S	S	*	.	H	α-helix	trans	-78	-48.3	177.3	-72.1	166.3	0	0	0	112.9	V470 K471 R472 K477 S478	V470-L474 PolarHBondContact O-N 2.87Å; V470-L474 VanDerWaalsContact O-N 3.15Å; K471-L474 PolarHBondContact O-N 2.85Å; R472-L474 PolarHBondContact O-N 3.31Å; R472-L474 VanDerWaalsContact O-N 3.13Å; L474-K477 PolarHBondContact O-N 3.32Å; L474-S478 PolarHBondContact O-N 3.01Å
475	I	47.7	Very low	54.7	Low	97 Å²	97	89.2 Å²	89.2	50%	0.497	44%	0.442	S	S	.	.	H	α-helix	trans	-63.7	-46.3	178.8	-68.2	169.4	0	0	0	110.2	K471 R472 K477 S478 V479	K471-I475 HydrophobicContact CB-CD1 4.46Å; K471-I475 VanDerWaalsContact O-CB 3.31Å; K471-I475 WeakPolarHBondContact O-CB 3.34Å; K471-I475 VanDerWaalsContact O-CG1 3.24Å; K471-I475 WeakPolarHBondContact O-CG1 3.48Å; K471-I475 PolarHBondContact O-N 3.41Å; R472-I475 PolarHBondContact O-N 3.41Å; I475-K477 PolarHBondContact O-N 3.34Å; I475-S478 PolarHBondContact O-N 2.74Å; I475-S478 VanDerWaalsContact O-N 3.11Å; I475-S478 PolarHBondContact O-OG 3.26Å; I475-V479 HydrophobicContact CG2-CG2 4.05Å; I475-V479 WeakPolarHBondContact O-CB 3.5Å; I475-V479 VanDerWaalsContact O-CG2 3.27Å; I475-V479 WeakPolarHBondContact O-CG2 3.37Å; I475-V479 PolarHBondContact O-N 2.94Å
476	D	59	Low	54.8	Low	68 Å²	68	91.3 Å²	91.3	36%	0.364	45%	0.445	S	S	.	.	H	α-helix	trans	-59.7	-45.3	176.4	-170.8	17.9	0	0	0	110.8	T460 R472 S478 V479 L480	T460-D476 HydrophobicContact CG2-CB 4.32Å; R472-D476 WeakPolarHBondContact O-CA 3.32Å; R472-D476 WeakPolarHBondContact O-CB 3.49Å; R472-D476 PolarHBondContact O-N 3.26Å; D476-S478 VanDerWaalsContact C-N 3.34Å; D476-S478 PolarHBondContact O-N 3.49Å; D476-V479 PolarHBondContact O-N 3.17Å; D476-L480 WeakPolarHBondContact O-CA 3.44Å; D476-L480 WeakPolarHBondContact O-CB 3.17Å; D476-L480 PolarHBondContact O-N 3.45Å
477	K	58.4	Low	55.2	Low	136 Å²	136	91.6 Å²	91.6	59%	0.591	44%	0.436	S	S	*	.	H	α-helix	trans	-58.6	-42.6	172.5	-81.7	177.7	-176	-174.9	0	112.5	R473 L474 I475 R481	R473-K477 WeakPolarHBondContact O-CB 3.33Å; R473-K477 WeakPolarHBondContact O-CD 3.45Å; R473-K477 WeakPolarHBondContact O-CG 3.45Å; R473-K477 PolarHBondContact O-N 2.84Å; L474-K477 PolarHBondContact O-N 3.32Å; I475-K477 PolarHBondContact O-N 3.34Å; K477-R481 WeakPolarHBondContact O-CB 3.23Å; K477-R481 PolarHBondContact O-N 3.39Å
478	S	61.4	Low	55.8	Low	49 Å²	49	88.3 Å²	88.3	34%	0.343	42%	0.417	S	S	.	.	H	α-helix	trans	-70.3	-40.6	-179.7	79.2	0	0	0	0	112.9	L474 I475 D476 R482	L474-S478 PolarHBondContact O-N 3.01Å; I475-S478 PolarHBondContact O-N 2.74Å; I475-S478 VanDerWaalsContact O-N 3.11Å; I475-S478 PolarHBondContact O-OG 3.26Å; D476-S478 VanDerWaalsContact C-N 3.34Å; D476-S478 PolarHBondContact O-N 3.49Å; S478-R482 WeakPolarHBondContact O-CG 3.11Å; S478-R482 PolarHBondContact O-N 3.44Å
479	V	59	Low	56.9	Low	24 Å²	24	90.4 Å²	90.4	15%	0.145	42%	0.423	C	S	.	.	H	α-helix	trans	-69.2	-49.9	178	168.1	0	0	0	0	109.2	V456 I475 D476 R481 R482 V483	V456-V479 HydrophobicContact CG1-CG1 3.61Å; I475-V479 HydrophobicContact CG2-CG2 4.05Å; I475-V479 WeakPolarHBondContact O-CB 3.5Å; I475-V479 VanDerWaalsContact O-CG2 3.27Å; I475-V479 WeakPolarHBondContact O-CG2 3.37Å; I475-V479 PolarHBondContact O-N 2.94Å; D476-V479 PolarHBondContact O-N 3.17Å; V479-R481 VanDerWaalsContact C-N 3.32Å; V479-R481 PolarHBondContact O-N 3.23Å; V479-R482 CarbonylContact O-C 3.58Å; V479-R482 WeakPolarHBondContact O-CA 3.24Å; V479-R482 WeakPolarHBondContact O-CB 3.2Å; V479-R482 PolarHBondContact O-N 3.07Å; V479-R482 VanDerWaalsContact O-N 3.07Å; V479-V483 HydrophobicContact CG1-CG2 4.26Å; V479-V483 WeakPolarHBondContact O-CG2 3.29Å; V479-V483 PolarHBondContact O-N 2.87Å
480	L	60.3	Low	57.6	Low	41 Å²	41	88 Å²	88	22%	0.215	42%	0.423	C	S	.	.	H	α-helix	trans	-57.2	-44.3	174.2	179.4	78.3	0	0	0	111.5	D476 R482 V483 T484	D476-L480 WeakPolarHBondContact O-CA 3.44Å; D476-L480 WeakPolarHBondContact O-CB 3.17Å; D476-L480 PolarHBondContact O-N 3.45Å; L480-R482 VanDerWaalsContact C-N 3.3Å; L480-R482 PolarHBondContact O-N 2.9Å; L480-V483 WeakPolarHBondContact O-CB 3.23Å; L480-V483 PolarHBondContact O-N 3.08Å; L480-T484 HydrophobicContact CD1-CG2 4.29Å; L480-T484 HydrophobicContact CG-CG2 4.27Å; L480-T484 WeakPolarHBondContact O-CG2 3.29Å; L480-T484 PolarHBondContact O-N 3.28Å; L480-T484 PolarHBondContact O-OG1 3.09Å; L480-T484 VanDerWaalsContact O-OG1 3.11Å
481	R	59.7	Low	58.2	Low	169 Å²	169	85.7 Å²	85.7	64%	0.638	41%	0.407	S	S	*	.	H	α-helix	trans	-59.1	-42.7	175.6	-177.9	-174.3	-81.5	-164.2	-3.4	111	K477 V479 T484 M485	K477-R481 WeakPolarHBondContact O-CB 3.23Å; K477-R481 PolarHBondContact O-N 3.39Å; V479-R481 VanDerWaalsContact C-N 3.32Å; V479-R481 PolarHBondContact O-N 3.23Å; R481-T484 WeakPolarHBondContact CA-OG1 3.18Å; R481-T484 PolarHBondContact O-OG1 3.38Å; R481-M485 HydrophobicContact CG-CE 3.53Å; R481-M485 HydrophobicContact CG-SD 4.07Å; R481-M485 VanDerWaalsContact O-CB 3.31Å; R481-M485 WeakPolarHBondContact O-CB 3.48Å; R481-M485 WeakPolarHBondContact O-CG 3.13Å; R481-M485 PolarHBondContact O-N 3.11Å
482	R	60.1	Low	59.8	Low	142 Å²	142	85.3 Å²	85.3	54%	0.536	40%	0.401	S	S	.	.	H	α-helix	trans	-63.3	-42.7	174.3	-77.6	-176.4	-76.7	173	-4.9	112	S478 V479 L480 M485 K486	S478-R482 WeakPolarHBondContact O-CG 3.11Å; S478-R482 PolarHBondContact O-N 3.44Å; V479-R482 CarbonylContact O-C 3.58Å; V479-R482 WeakPolarHBondContact O-CA 3.24Å; V479-R482 WeakPolarHBondContact O-CB 3.2Å; V479-R482 PolarHBondContact O-N 3.07Å; V479-R482 VanDerWaalsContact O-N 3.07Å; L480-R482 VanDerWaalsContact C-N 3.3Å; L480-R482 PolarHBondContact O-N 2.9Å; R482-M485 PolarHBondContact O-N 2.9Å; R482-K486 WeakPolarHBondContact O-CG 3.26Å; R482-K486 PolarHBondContact O-N 3.42Å
483	V	55.8	Low	61.3	Low	10 Å²	10	86.9 Å²	86.9	6%	0.061	41%	0.413	C	S	.	.	H	α-helix	trans	-59.9	-51.2	175.9	172.5	0	0	0	0	110.7	L453 V479 L480 M485 K486 I487	L453-V483 HydrophobicContact CD1-CB 4.38Å; L453-V483 HydrophobicContact CD1-CG2 3.37Å; L453-V483 HydrophobicContact CD2-CB 4.42Å; L453-V483 HydrophobicContact CD2-CG1 3.9Å; L453-V483 HydrophobicContact CD2-CG2 4.13Å; L453-V483 HydrophobicContact CG-CG1 4.34Å; L453-V483 HydrophobicContact CG-CG2 3.79Å; V479-V483 HydrophobicContact CG1-CG2 4.26Å; V479-V483 WeakPolarHBondContact O-CG2 3.29Å; V479-V483 PolarHBondContact O-N 2.87Å; L480-V483 WeakPolarHBondContact O-CB 3.23Å; L480-V483 PolarHBondContact O-N 3.08Å; V483-M485 PolarHBondContact O-N 3.31Å; V483-K486 PolarHBondContact O-N 2.89Å; V483-I487 HydrophobicContact CG1-CD1 3.78Å; V483-I487 WeakPolarHBondContact O-CG1 3.43Å; V483-I487 PolarHBondContact O-N 3.22Å
484	T	60.7	Low	62.5	Low	47 Å²	47	81.4 Å²	81.4	29%	0.288	40%	0.395	S	S	.	.	H	α-helix	trans	-66.6	-37.1	-178.7	57.4	0	0	0	0	111.9	M228 L480 R481 S488	M228-T484 HydrophobicContact CE-CG2 4.15Å; L480-T484 HydrophobicContact CD1-CG2 4.29Å; L480-T484 HydrophobicContact CG-CG2 4.27Å; L480-T484 WeakPolarHBondContact O-CG2 3.29Å; L480-T484 PolarHBondContact O-N 3.28Å; L480-T484 PolarHBondContact O-OG1 3.09Å; L480-T484 VanDerWaalsContact O-OG1 3.11Å; R481-T484 WeakPolarHBondContact CA-OG1 3.18Å; R481-T484 PolarHBondContact O-OG1 3.38Å; T484-S488 WeakPolarHBondContact O-CB 3.35Å; T484-S488 PolarHBondContact O-N 3.43Å; T484-S488 PolarHBondContact O-OG 3.43Å
485	M	66.5	Low	63.8	Low	104 Å²	104	80.4 Å²	80.4	51%	0.512	39%	0.385	S	S	.	.	H	α-helix	trans	-63.1	-41.1	171.8	-75.5	174	178.6	0	0	112.2	R481 R482 V483 S488 K489	R481-M485 HydrophobicContact CG-CE 3.53Å; R481-M485 HydrophobicContact CG-SD 4.07Å; R481-M485 VanDerWaalsContact O-CB 3.31Å; R481-M485 WeakPolarHBondContact O-CB 3.48Å; R481-M485 WeakPolarHBondContact O-CG 3.13Å; R481-M485 PolarHBondContact O-N 3.11Å; R482-M485 PolarHBondContact O-N 2.9Å; V483-M485 PolarHBondContact O-N 3.31Å; M485-S488 WeakPolarHBondContact CA-OG 3.23Å; M485-S488 PolarHBondContact O-OG 3.2Å; M485-K489 VanDerWaalsContact O-CB 3.31Å; M485-K489 WeakPolarHBondContact O-CB 3.09Å; M485-K489 PolarHBondContact O-N 3.42Å
486	K	57.8	Low	65.4	Low	93 Å²	93	81.1 Å²	81.1	40%	0.404	39%	0.385	S	S	.	.	H	α-helix	trans	-65.6	-46.7	175.7	-77.5	-174	175.6	-168.6	0	111.9	R482 V483 S488 K489 A490	R482-K486 WeakPolarHBondContact O-CG 3.26Å; R482-K486 PolarHBondContact O-N 3.42Å; V483-K486 PolarHBondContact O-N 2.89Å; K486-S488 PolarHBondContact O-N 2.98Å; K486-K489 PolarHBondContact O-N 3.48Å; K486-A490 PolarHBondContact O-N 3.45Å
487	I	62.2	Low	66.2	Low	78 Å²	78	79.9 Å²	79.9	40%	0.4	38%	0.384	S	S	.	.	H	α-helix	trans	-59.8	-46.8	176.6	-67.4	169.6	0	0	0	110.5	V483 K489 A490 E491	V483-I487 HydrophobicContact CG1-CD1 3.78Å; V483-I487 WeakPolarHBondContact O-CG1 3.43Å; V483-I487 PolarHBondContact O-N 3.22Å; I487-K489 VanDerWaalsContact C-N 3.35Å; I487-K489 PolarHBondContact O-N 3.35Å; I487-A490 PolarHBondContact O-N 3.09Å; I487-E491 WeakPolarHBondContact O-CB 3.39Å; I487-E491 PolarHBondContact O-N 2.98Å
488	S	67.4	Low	67.4	Low	39 Å²	39	74 Å²	74	27%	0.273	36%	0.36	S	S	.	.	H	α-helix	trans	-66.5	-33.4	177.6	61.4	0	0	0	0	113	T484 M485 K486 R492	T484-S488 WeakPolarHBondContact O-CB 3.35Å; T484-S488 PolarHBondContact O-N 3.43Å; T484-S488 PolarHBondContact O-OG 3.43Å; M485-S488 WeakPolarHBondContact CA-OG 3.23Å; M485-S488 PolarHBondContact O-OG 3.2Å; K486-S488 PolarHBondContact O-N 2.98Å; S488-R492 WeakPolarHBondContact O-CB 3.49Å; S488-R492 VanDerWaalsContact O-CG 3.29Å; S488-R492 WeakPolarHBondContact O-CG 3.42Å; S488-R492 PolarHBondContact O-N 2.95Å; S488-R492 PolarHBondContact O-NE 2.86Å
489	K	71	Confident	68.6	Low	114 Å²	114	77.7 Å²	77.7	50%	0.496	37%	0.369	S	S	.	.	H	α-helix	trans	-64.7	-45	171.5	-174.4	-179.5	178.7	-176.6	0	111.2	M485 K486 I487 R492 N493	M485-K489 VanDerWaalsContact O-CB 3.31Å; M485-K489 WeakPolarHBondContact O-CB 3.09Å; M485-K489 PolarHBondContact O-N 3.42Å; K486-K489 PolarHBondContact O-N 3.48Å; I487-K489 VanDerWaalsContact C-N 3.35Å; I487-K489 PolarHBondContact O-N 3.35Å; K489-R492 PolarHBondContact O-N 3.06Å; K489-N493 WeakPolarHBondContact O-CB 3.38Å; K489-N493 VanDerWaalsContact O-CG 3.25Å; K489-N493 PolarHBondContact O-N 3.25Å
490	A	63.8	Low	70	Confident	57 Å²	57	77.5 Å²	77.5	47%	0.471	37%	0.368	S	S	.	.	H	α-helix	trans	-61.1	-47.2	175.7	0	0	0	0	0	111.5	K486 I487 R492 N493 E494	K486-A490 PolarHBondContact O-N 3.45Å; I487-A490 PolarHBondContact O-N 3.09Å; A490-R492 VanDerWaalsContact C-N 3.33Å; A490-R492 PolarHBondContact O-N 3.2Å; A490-N493 PolarHBondContact O-N 3.49Å; A490-N493 VanDerWaalsContact O-N 3.14Å; A490-E494 WeakPolarHBondContact O-CB 3.39Å; A490-E494 PolarHBondContact O-N 2.87Å
491	E	68.2	Low	71.2	Confident	43 Å²	43	76 Å²	76	20%	0.201	36%	0.361	C	S	.	.	H	α-helix	trans	-59.9	-41	176	-171.6	-173	160.5	0	0	111.9	I487 E494 K495	I487-E491 WeakPolarHBondContact O-CB 3.39Å; I487-E491 PolarHBondContact O-N 2.98Å; E491-E494 PolarHBondContact O-N 3.22Å; E491-K495 WeakPolarHBondContact O-CB 3.17Å; E491-K495 WeakPolarHBondContact O-CG 3.44Å; E491-K495 PolarHBondContact O-N 3.34Å; E491-K495 VanDerWaalsContact OE1-CE 3.31Å; E491-K495 WeakPolarHBondContact OE1-CE 3.44Å; E491-K495 IonicContact OE1-NZ 2.78Å; E491-K495 PolarHBondContact OE1-NZ 3.27Å
492	R	72.8	Confident	72.7	Confident	141 Å²	141	71.6 Å²	71.6	53%	0.532	35%	0.352	S	S	.	.	H	α-helix	trans	-65	-41.5	174.3	-78.4	-177.2	-65.6	-138	-2.4	112.3	S488 K489 A490 E494 K496	S488-R492 WeakPolarHBondContact O-CB 3.49Å; S488-R492 VanDerWaalsContact O-CG 3.29Å; S488-R492 WeakPolarHBondContact O-CG 3.42Å; S488-R492 PolarHBondContact O-N 2.95Å; S488-R492 PolarHBondContact O-NE 2.86Å; K489-R492 PolarHBondContact O-N 3.06Å; A490-R492 VanDerWaalsContact C-N 3.33Å; A490-R492 PolarHBondContact O-N 3.2Å; R492-E494 VanDerWaalsContact C-N 3.34Å; R492-K496 VanDerWaalsContact O-CG 3.27Å; R492-K496 WeakPolarHBondContact O-CG 3.24Å; R492-K496 PolarHBondContact O-N 3.46Å
493	N	75.5	Confident	74.3	Confident	80 Å²	80	67 Å²	67	43%	0.428	34%	0.338	S	S	.	.	H	α-helix	trans	-66.2	-39.5	177.8	-72.8	-8.6	0	0	0	111.4	K489 A490 K496 A497	K489-N493 WeakPolarHBondContact O-CB 3.38Å; K489-N493 VanDerWaalsContact O-CG 3.25Å; K489-N493 PolarHBondContact O-N 3.25Å; A490-N493 PolarHBondContact O-N 3.49Å; A490-N493 VanDerWaalsContact O-N 3.14Å; N493-K496 PolarHBondContact O-N 3.49Å; N493-A497 PolarHBondContact O-N 3.35Å
494	E	75.3	Confident	76	Confident	61 Å²	61	67 Å²	67	29%	0.285	34%	0.339	S	S	.	.	H	α-helix	trans	-64.2	-47.8	175.5	-171.1	174.7	-173.2	0	0	111.3	I217 A490 E491 R492 K496 A497 T498	I217-E494 HydrophobicContact CD1-CG 4.1Å; I217-E494 HydrophobicContact CG1-CG 4.46Å; A490-E494 WeakPolarHBondContact O-CB 3.39Å; A490-E494 PolarHBondContact O-N 2.87Å; E491-E494 PolarHBondContact O-N 3.22Å; R492-E494 VanDerWaalsContact C-N 3.34Å; E494-K496 VanDerWaalsContact C-N 3.29Å; E494-K496 PolarHBondContact O-N 2.98Å; E494-A497 WeakPolarHBondContact O-CB 3.37Å; E494-A497 PolarHBondContact O-N 2.64Å; E494-T498 PolarHBondContact O-N 2.95Å; E494-T498 PolarHBondContact O-OG1 3.31Å
495	K	77.6	Confident	77.6	Confident	95 Å²	95	65.8 Å²	65.8	41%	0.413	33%	0.33	S	S	.	.	H	α-helix	trans	-56.9	-39.8	173.6	-74.5	174.1	-174.5	167.3	0	112.8	E491 T498 K499	E491-K495 WeakPolarHBondContact O-CB 3.17Å; E491-K495 WeakPolarHBondContact O-CG 3.44Å; E491-K495 PolarHBondContact O-N 3.34Å; E491-K495 VanDerWaalsContact OE1-CE 3.31Å; E491-K495 WeakPolarHBondContact OE1-CE 3.44Å; E491-K495 IonicContact OE1-NZ 2.78Å; E491-K495 PolarHBondContact OE1-NZ 3.27Å; K495-T498 PolarHBondContact O-N 3.45Å; K495-K499 WeakPolarHBondContact O-CB 3.48Å; K495-K499 PolarHBondContact O-N 3.02Å
496	K	80.6	Confident	79	Confident	112 Å²	112	62.7 Å²	62.7	49%	0.487	33%	0.325	S	S	.	.	H	α-helix	trans	-64.2	-41.2	174.9	-73.7	172.8	-177.9	-176.9	0	111.8	R492 N493 E494 K499 T500	R492-K496 VanDerWaalsContact O-CG 3.27Å; R492-K496 WeakPolarHBondContact O-CG 3.24Å; R492-K496 PolarHBondContact O-N 3.46Å; N493-K496 PolarHBondContact O-N 3.49Å; E494-K496 VanDerWaalsContact C-N 3.29Å; E494-K496 PolarHBondContact O-N 2.98Å; K496-K499 PolarHBondContact O-N 3.31Å; K496-T500 PolarHBondContact O-N 2.89Å; K496-T500 VanDerWaalsContact O-N 3.11Å; K496-T500 PolarHBondContact O-OG1 3.4Å
497	A	77.1	Confident	80.8	Confident	42 Å²	42	60 Å²	60	35%	0.347	32%	0.316	S	S	.	.	H	α-helix	trans	-64.6	-44.6	176.5	0	0	0	0	0	111.7	N493 E494 K499 T500 L501	N493-A497 PolarHBondContact O-N 3.35Å; E494-A497 WeakPolarHBondContact O-CB 3.37Å; E494-A497 PolarHBondContact O-N 2.64Å; A497-K499 VanDerWaalsContact C-N 3.33Å; A497-K499 PolarHBondContact O-N 3.2Å; A497-T500 WeakPolarHBondContact O-CB 3.04Å; A497-T500 PolarHBondContact O-N 3.5Å; A497-T500 VanDerWaalsContact O-N 3.17Å; A497-L501 PolarHBondContact O-N 3.32Å; A497-L501 VanDerWaalsContact O-N 3.15Å
498	T	82.4	Confident	82.4	Confident	13 Å²	13	56.3 Å²	56.3	8%	0.08	30%	0.297	C	S	.	.	H	α-helix	trans	-61.1	-41.7	174.9	-41.5	0	0	0	0	112	F214 I217 E494 K495 T500 L501 T502	F214-T498 HydrophobicContact CD2-CG2 4.25Å; I217-T498 HydrophobicContact CD1-CG2 3.98Å; I217-T498 WeakPolarHBondContact CD1-OG1 3.1Å; E494-T498 PolarHBondContact O-N 2.95Å; E494-T498 PolarHBondContact O-OG1 3.31Å; K495-T498 PolarHBondContact O-N 3.45Å; T498-T500 PolarHBondContact O-N 2.92Å; T498-L501 WeakPolarHBondContact O-CB 3.32Å; T498-L501 PolarHBondContact O-N 3.15Å; T498-L501 VanDerWaalsContact O-N 3.14Å; T498-T502 PolarHBondContact O-N 3.17Å; T498-T502 PolarHBondContact O-OG1 3.06Å
499	K	86.4	Confident	83.8	Confident	126 Å²	126	56.9 Å²	56.9	55%	0.548	30%	0.296	S	S	.	.	H	α-helix	trans	-57.4	-41.6	175.7	-177.9	175.7	-179.7	175.4	0	111.3	K495 K496 A497 T502 I503	K495-K499 WeakPolarHBondContact O-CB 3.48Å; K495-K499 PolarHBondContact O-N 3.02Å; K496-K499 PolarHBondContact O-N 3.31Å; A497-K499 VanDerWaalsContact C-N 3.33Å; A497-K499 PolarHBondContact O-N 3.2Å; K499-T502 PolarHBondContact O-N 3.08Å; K499-I503 HydrophobicContact CG-CD1 3.93Å; K499-I503 VanDerWaalsContact O-CG1 3.26Å; K499-I503 WeakPolarHBondContact O-CG1 3.48Å; K499-I503 PolarHBondContact O-N 3.48Å
500	T	88.4	Confident	85	Confident	20 Å²	20	54.3 Å²	54.3	12%	0.123	30%	0.296	C	S	.	.	H	α-helix	trans	-61.1	-46.3	176.5	-51	0	0	0	0	110.8	K496 A497 T498 T502 I503 V504 I557 F561	K496-T500 PolarHBondContact O-N 2.89Å; K496-T500 VanDerWaalsContact O-N 3.11Å; K496-T500 PolarHBondContact O-OG1 3.4Å; A497-T500 WeakPolarHBondContact O-CB 3.04Å; A497-T500 PolarHBondContact O-N 3.5Å; A497-T500 VanDerWaalsContact O-N 3.17Å; T498-T500 PolarHBondContact O-N 2.92Å; T500-T502 PolarHBondContact O-N 3.04Å; T500-I503 PolarHBondContact O-N 3.15Å; T500-V504 HydrophobicContact CG2-CG2 4.43Å; T500-V504 WeakPolarHBondContact O-CG2 3.42Å; T500-V504 PolarHBondContact O-N 3.12Å; T500-I557 HydrophobicContact CG2-CG2 4.11Å; T500-F561 HydrophobicContact CG2-CB 4Å; T500-F561 WeakPolarHBondContact OG1-CB 3.28Å
501	L	86.8	Confident	86.6	Confident	11 Å²	11	51.9 Å²	51.9	6%	0.058	28%	0.276	C	S	.	.	H	α-helix	trans	-59.8	-45	177.8	-179.3	67.3	0	0	0	112.4	I126 R130 C210 T213 A497 T498 I503 V504 L505	I126-L501 HydrophobicContact CG2-CD1 4.43Å; R130-L501 HydrophobicContact CB-CD2 3.85Å; R130-L501 HydrophobicContact CG-CD1 4.28Å; R130-L501 HydrophobicContact CG-CD2 4.07Å; C210-L501 VanDerWaalsContact SG-CG 3.58Å; T213-L501 HydrophobicContact CG2-CD2 4.22Å; A497-L501 PolarHBondContact O-N 3.32Å; A497-L501 VanDerWaalsContact O-N 3.15Å; T498-L501 WeakPolarHBondContact O-CB 3.32Å; T498-L501 PolarHBondContact O-N 3.15Å; T498-L501 VanDerWaalsContact O-N 3.14Å; L501-I503 VanDerWaalsContact C-N 3.29Å; L501-I503 PolarHBondContact O-N 2.87Å; L501-V504 PolarHBondContact O-N 3.35Å; L501-L505 PolarHBondContact O-N 2.93Å
502	T	89.8	Confident	87.9	Confident	75 Å²	75	50.1 Å²	50.1	46%	0.46	27%	0.268	S	S	.	.	H	α-helix	trans	-62.2	-38.2	177.6	-58	0	0	0	0	111.9	T498 K499 T500 G506	T498-T502 PolarHBondContact O-N 3.17Å; T498-T502 PolarHBondContact O-OG1 3.06Å; K499-T502 PolarHBondContact O-N 3.08Å; T500-T502 PolarHBondContact O-N 3.04Å; T502-G506 PolarHBondContact O-N 2.85Å
503	I	93.4	Very high	89.1	Confident	45 Å²	45	46 Å²	46	23%	0.231	26%	0.256	C	S	.	.	H	α-helix	trans	-69.2	-45.1	177	-67.3	169.5	0	0	0	110.8	K499 T500 L501 L505 G506 V507 I557 F561	K499-I503 HydrophobicContact CG-CD1 3.93Å; K499-I503 VanDerWaalsContact O-CG1 3.26Å; K499-I503 WeakPolarHBondContact O-CG1 3.48Å; K499-I503 PolarHBondContact O-N 3.48Å; T500-I503 PolarHBondContact O-N 3.15Å; L501-I503 VanDerWaalsContact C-N 3.29Å; L501-I503 PolarHBondContact O-N 2.87Å; I503-L505 VanDerWaalsContact C-N 3.32Å; I503-L505 PolarHBondContact O-N 3.27Å; I503-G506 PolarHBondContact O-N 2.91Å; I503-V507 HydrophobicContact CG2-CG2 4.41Å; I503-V507 WeakPolarHBondContact O-CG2 3.41Å; I503-V507 PolarHBondContact O-N 3.38Å; I503-I557 HydrophobicContact CG2-CD1 4.4Å; I503-I557 HydrophobicContact CG2-CG1 4.25Å; I503-I557 HydrophobicContact CG2-CG2 4.2Å; I503-F561 HydrophobicContact CD1-CD1 3.95Å; I503-F561 HydrophobicContact CD1-CD2 4.01Å; I503-F561 HydrophobicContact CD1-CE1 3.55Å; I503-F561 HydrophobicContact CD1-CE2 3.62Å; I503-F561 HydrophobicContact CD1-CG 4.18Å; I503-F561 HydrophobicContact CD1-CZ 3.38Å; I503-F561 HydrophobicContact CG2-CD2 4.44Å; I503-F561 HydrophobicContact CG2-CE2 4Å
504	V	92.7	Very high	90.2	Very high	12 Å²	12	44.4 Å²	44.4	7%	0.073	25%	0.25	C	C	.	.	H	α-helix	trans	-56.5	-47.5	175.3	172.6	0	0	0	0	110.7	L123 T500 L501 V507 F508 I557	L123-V504 HydrophobicContact CD2-CG1 3.55Å; T500-V504 HydrophobicContact CG2-CG2 4.43Å; T500-V504 WeakPolarHBondContact O-CG2 3.42Å; T500-V504 PolarHBondContact O-N 3.12Å; L501-V504 PolarHBondContact O-N 3.35Å; V504-V507 PolarHBondContact O-N 3.29Å; V504-F508 VanDerWaalsContact O-CB 3.29Å; V504-F508 WeakPolarHBondContact O-CB 3.44Å; V504-F508 PolarHBondContact O-N 3.15Å; V504-I557 HydrophobicContact CG2-CD1 4.29Å; V504-I557 HydrophobicContact CG2-CG2 3.66Å
505	L	93.5	Very high	91.1	Very high	21 Å²	21	42.5 Å²	42.5	11%	0.11	24%	0.241	C	C	.	.	H	α-helix	trans	-63.1	-43.5	177.1	178.5	63.8	0	0	0	112	M206 V207 C210 L501 I503 F508 I509	M206-L505 HydrophobicContact CB-CD1 4.07Å; M206-L505 HydrophobicContact CE-CD1 3.75Å; V207-L505 HydrophobicContact CG2-CD1 4.39Å; V207-L505 HydrophobicContact CG2-CD2 4.34Å; C210-L505 HydrophobicContact CB-CD2 3.56Å; L501-L505 PolarHBondContact O-N 2.93Å; I503-L505 VanDerWaalsContact C-N 3.32Å; I503-L505 PolarHBondContact O-N 3.27Å; L505-F508 HydrophobicContact CD1-CD1 4.28Å; L505-F508 WeakPolarHBondContact O-CB 3.41Å; L505-F508 PolarHBondContact O-N 3.41Å; L505-I509 HydrophobicContact CD1-CD1 3.85Å; L505-I509 HydrophobicContact CD1-CG1 4.1Å; L505-I509 HydrophobicContact CD2-CD1 4.47Å; L505-I509 HydrophobicContact CG-CD1 3.87Å; L505-I509 HydrophobicContact CG-CG1 4.45Å; L505-I509 WeakPolarHBondContact O-CG1 3.38Å; L505-I509 PolarHBondContact O-N 2.82Å
506	G	95.4	Very high	92	Very high	39 Å²	39	38.7 Å²	38.7	40%	0.402	22%	0.224	S	C	.	.	H	α-helix	trans	-61.4	-45.2	179.1	0	0	0	0	0	112.5	T502 I503 I509 A510	T502-G506 PolarHBondContact O-N 2.85Å; I503-G506 PolarHBondContact O-N 2.91Å; G506-I509 PolarHBondContact O-N 2.96Å; G506-A510 VanDerWaalsContact O-CB 3.31Å; G506-A510 WeakPolarHBondContact O-CB 3.47Å; G506-A510 PolarHBondContact O-N 3.42Å
507	V	96.6	Very high	92.7	Very high	37 Å²	37	35.5 Å²	35.5	22%	0.224	22%	0.216	C	C	.	.	H	α-helix	trans	-66.7	-39.8	175.9	173.9	0	0	0	0	111.1	I503 V504 A510 C511 M553 I557	I503-V507 HydrophobicContact CG2-CG2 4.41Å; I503-V507 WeakPolarHBondContact O-CG2 3.41Å; I503-V507 PolarHBondContact O-N 3.38Å; V504-V507 PolarHBondContact O-N 3.29Å; V507-A510 PolarHBondContact O-N 3.16Å; V507-C511 VanDerWaalsContact O-CB 3.3Å; V507-C511 WeakPolarHBondContact O-CB 3.25Å; V507-C511 PolarHBondContact O-N 3.06Å; V507-C511 PolarHBondContact O-SG 2.83Å; V507-C511 VanDerWaalsContact O-SG 3.33Å; V507-M553 HydrophobicContact CG1-CB 3.76Å; V507-M553 HydrophobicContact CG1-CG 4.06Å; V507-I557 HydrophobicContact CB-CD1 4.05Å; V507-I557 HydrophobicContact CG1-CD1 4.23Å; V507-I557 HydrophobicContact CG2-CD1 3.97Å
508	F	95.3	Very high	93.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-55.3	-53.2	173.3	171.8	-104.3	0	0	0	112.6	I120 L123 F199 L203 M206 V504 L505 C511 W512 N550	I120-F508 HydrophobicContact CG1-CE2 3.76Å; I120-F508 HydrophobicContact CG1-CZ 4.07Å; I120-F508 HydrophobicContact CG2-CE2 4.34Å; I120-F508 HydrophobicContact CG2-CZ 3.93Å; L123-F508 HydrophobicContact CD1-CB 4.3Å; L123-F508 HydrophobicContact CD1-CD2 3.57Å; L123-F508 HydrophobicContact CD1-CE2 4.22Å; L123-F508 HydrophobicContact CD1-CG 4.05Å; F199-F508 AromaticContact CD2-CZ 3.83Å; F199-F508 HydrophobicContact CD2-CZ 3.83Å; F199-F508 HydrophobicContact CE2-CE1 4.01Å; F199-F508 HydrophobicContact CE2-CE2 4.44Å; F199-F508 AromaticContact CE2-CZ 3.63Å; F199-F508 HydrophobicContact CE2-CZ 3.63Å; L203-F508 HydrophobicContact CD1-CD1 4.32Å; L203-F508 HydrophobicContact CD1-CE1 3.86Å; M206-F508 HydrophobicContact CE-CB 4.4Å; M206-F508 HydrophobicContact CE-CD1 3.44Å; M206-F508 VanDerWaalsContact CE-CD1 3.44Å; M206-F508 HydrophobicContact CE-CE1 3.78Å; M206-F508 HydrophobicContact CE-CG 3.84Å; M206-F508 HydrophobicContact CE-CZ 4.49Å; M206-F508 HydrophobicContact SD-CD1 4.27Å; M206-F508 HydrophobicContact SD-CE1 3.98Å; M206-F508 HydrophobicContact SD-CZ 4.41Å; V504-F508 VanDerWaalsContact O-CB 3.29Å; V504-F508 WeakPolarHBondContact O-CB 3.44Å; V504-F508 PolarHBondContact O-N 3.15Å; L505-F508 HydrophobicContact CD1-CD1 4.28Å; L505-F508 WeakPolarHBondContact O-CB 3.41Å; L505-F508 PolarHBondContact O-N 3.41Å; F508-C511 PolarHBondContact O-N 3.23Å; F508-W512 AromaticContact CD2-CD1 3.47Å; F508-W512 VanDerWaalsContact CD2-CD1 3.47Å; F508-W512 HydrophobicContact CD2-CG 4.32Å; F508-W512 HydrophobicContact CE2-CB 4.11Å; F508-W512 AromaticContact CE2-CD1 3.41Å; F508-W512 VanDerWaalsContact CE2-CD1 3.41Å; F508-W512 AromaticContact CE2-CG 3.93Å; F508-W512 HydrophobicContact CE2-CG 3.93Å; F508-W512 HydrophobicContact CZ-CB 4.48Å; F508-W512 WeakPolarHBondContact O-CB 2.99Å; F508-W512 PolarHBondContact O-N 3.44Å; F508-N550 WeakPolarHBondContact CA-ND2 3.28Å
509	I	96.9	Very high	94.1	Very high	50 Å²	50	35.2 Å²	35.2	26%	0.256	21%	0.208	S	C	.	.	H	α-helix	trans	-62.3	-46.8	179.5	-66.8	172.1	0	0	0	110.3	L203 V207 L505 G506 C511 L513	L203-I509 HydrophobicContact CD1-CD1 4.04Å; L203-I509 HydrophobicContact CD1-CG1 3.65Å; V207-I509 HydrophobicContact CG2-CD1 4.14Å; L505-I509 HydrophobicContact CD1-CD1 3.85Å; L505-I509 HydrophobicContact CD1-CG1 4.1Å; L505-I509 HydrophobicContact CD2-CD1 4.47Å; L505-I509 HydrophobicContact CG-CD1 3.87Å; L505-I509 HydrophobicContact CG-CG1 4.45Å; L505-I509 WeakPolarHBondContact O-CG1 3.38Å; L505-I509 PolarHBondContact O-N 2.82Å; G506-I509 PolarHBondContact O-N 2.96Å; I509-C511 VanDerWaalsContact C-N 3.3Å; I509-C511 PolarHBondContact O-N 3.29Å; I509-L513 HydrophobicContact CG2-CB 4.12Å; I509-L513 HydrophobicContact CG2-CD2 3.89Å; I509-L513 WeakPolarHBondContact O-CB 3.33Å; I509-L513 PolarHBondContact O-N 3.49Å
510	A	97.1	Very high	94.4	Very high	60 Å²	60	29.8 Å²	29.8	50%	0.496	19%	0.185	S	C	.	.	H	α-helix	trans	-62	-36.9	-179.1	0	0	0	0	0	112.8	G506 V507 L546	G506-A510 VanDerWaalsContact O-CB 3.31Å; G506-A510 WeakPolarHBondContact O-CB 3.47Å; G506-A510 PolarHBondContact O-N 3.42Å; V507-A510 PolarHBondContact O-N 3.16Å; A510-L546 WeakPolarHBondContact O-CD2 3.24Å
511	C	96.7	Very high	94.7	Very high	7 Å²	7	32.5 Å²	32.5	5%	0.047	20%	0.198	C	C	.	.	H	α-helix	trans	-76.2	-47.1	179.8	-74.5	0	0	0	0	112.9	V507 F508 I509 L546 G547 N550	V507-C511 VanDerWaalsContact O-CB 3.3Å; V507-C511 WeakPolarHBondContact O-CB 3.25Å; V507-C511 PolarHBondContact O-N 3.06Å; V507-C511 PolarHBondContact O-SG 2.83Å; V507-C511 VanDerWaalsContact O-SG 3.33Å; F508-C511 PolarHBondContact O-N 3.23Å; I509-C511 VanDerWaalsContact C-N 3.3Å; I509-C511 PolarHBondContact O-N 3.29Å; C511-L546 WeakPolarHBondContact CB-O 3.35Å; C511-L546 CarbonylContact O-C 3.57Å; C511-L546 PolarHBondContact SG-O 3.42Å; C511-G547 WeakPolarHBondContact O-CA 3.38Å; C511-G547 PolarHBondContact O-N 2.92Å; C511-N550 HydrophobicContact CB-CB 3.83Å
512	W	96.7	Very high	94.9	Very high	6 Å²	6	33 Å²	33	2%	0.023	20%	0.203	C	C	.	.	H	α-helix	trans	-98.9	-31.1	-166.6	-76.6	110.6	0	0	0	114.7	F199 F508 F515 F516 N550	F199-W512 HydrophobicContact CD2-CB 4.26Å; F199-W512 HydrophobicContact CE2-CB 3.65Å; F199-W512 HydrophobicContact CZ-CB 4.43Å; F508-W512 AromaticContact CD2-CD1 3.47Å; F508-W512 VanDerWaalsContact CD2-CD1 3.47Å; F508-W512 HydrophobicContact CD2-CG 4.32Å; F508-W512 HydrophobicContact CE2-CB 4.11Å; F508-W512 AromaticContact CE2-CD1 3.41Å; F508-W512 VanDerWaalsContact CE2-CD1 3.41Å; F508-W512 AromaticContact CE2-CG 3.93Å; F508-W512 HydrophobicContact CE2-CG 3.93Å; F508-W512 HydrophobicContact CZ-CB 4.48Å; F508-W512 WeakPolarHBondContact O-CB 2.99Å; F508-W512 PolarHBondContact O-N 3.44Å; W512-F515 HydrophobicContact CE3-CD1 4.09Å; W512-F515 HydrophobicContact CZ3-CD1 4.04Å; W512-F515 HydrophobicContact CZ3-CE1 4.3Å; W512-F515 PolarHBondContact O-N 3.21Å; W512-F516 HydrophobicContact CB-CD2 4Å; W512-F516 HydrophobicContact CB-CE2 4.09Å; W512-F516 AromaticContact CD2-CE2 3.87Å; W512-F516 HydrophobicContact CD2-CE2 3.87Å; W512-F516 AromaticContact CE3-CD2 3.93Å; W512-F516 HydrophobicContact CE3-CD2 3.93Å; W512-F516 AromaticContact CE3-CE2 3.29Å; W512-F516 HydrophobicContact CE3-CE2 3.29Å; W512-F516 HydrophobicContact CE3-CZ 4.08Å; W512-F516 HydrophobicContact CG-CE2 4.24Å; W512-F516 AromaticContact CZ3-CE2 3.95Å; W512-F516 HydrophobicContact CZ3-CE2 3.95Å; W512-F516 HydrophobicContact CZ3-CZ 4.3Å; W512-F516 WeakPolarHBondContact O-CD2 3.18Å; W512-F516 PolarHBondContact O-N 3.46Å; W512-N550 VanDerWaalsContact NE1-CB 3.3Å; W512-N550 VanDerWaalsContact NE1-CG 3.33Å
513	L	97.3	Very high	95	Very high	54 Å²	54	29.5 Å²	29.5	28%	0.283	18%	0.182	S	C	.	.	H	α-helix	trans	-56.8	-45.2	-177	-177.3	65.2	0	0	0	112.9	F199 W200 L203 I509 F515 F516 S517	F199-L513 HydrophobicContact CE1-CD1 3.89Å; F199-L513 HydrophobicContact CZ-CB 4.13Å; F199-L513 HydrophobicContact CZ-CD1 3.93Å; W200-L513 HydrophobicContact CH2-CD1 3.62Å; W200-L513 HydrophobicContact CZ3-CD1 3.64Å; L203-L513 HydrophobicContact CD2-CD1 4.27Å; I509-L513 HydrophobicContact CG2-CB 4.12Å; I509-L513 HydrophobicContact CG2-CD2 3.89Å; I509-L513 WeakPolarHBondContact O-CB 3.33Å; I509-L513 PolarHBondContact O-N 3.49Å; L513-F515 PolarHBondContact O-N 2.69Å; L513-F516 PolarHBondContact O-N 3.42Å; L513-S517 VanDerWaalsContact O-CB 3.24Å; L513-S517 WeakPolarHBondContact O-CB 3.38Å; L513-S517 PolarHBondContact O-N 3.41Å; L513-S517 PolarHBondContact O-OG 3.22Å; L513-S517 VanDerWaalsContact O-OG 3.07Å
514	P	97.4	Very high	95	Very high	46 Å²	46	30.7 Å²	30.7	30%	0.299	19%	0.188	S	C	.	.	H	α-helix	trans	-59	-44.8	179	-26.1	37.5	0	0	0	113	L518 T543 L546	P514-L518 WeakPolarHBondContact O-CG 3.46Å; P514-L518 PolarHBondContact O-N 2.85Å; P514-T543 HydrophobicContact CB-CG2 3.5Å; P514-T543 VanDerWaalsContact CB-CG2 3.5Å; P514-L546 HydrophobicContact CG-CD2 4.1Å
515	F	95.3	Very high	95	Very high	22 Å²	22	30.7 Å²	30.7	10%	0.096	19%	0.188	C	C	.	.	H	α-helix	trans	-64.7	-50.1	-179.9	174.8	-101.1	0	0	0	111.9	W512 L513 S517 L518 N519 T544	W512-F515 HydrophobicContact CE3-CD1 4.09Å; W512-F515 HydrophobicContact CZ3-CD1 4.04Å; W512-F515 HydrophobicContact CZ3-CE1 4.3Å; W512-F515 PolarHBondContact O-N 3.21Å; L513-F515 PolarHBondContact O-N 2.69Å; F515-S517 VanDerWaalsContact C-N 3.33Å; F515-S517 PolarHBondContact O-N 3.39Å; F515-L518 PolarHBondContact O-N 2.65Å; F515-N519 WeakPolarHBondContact CD1-ND2 3.4Å; F515-N519 WeakPolarHBondContact CD2-ND2 3.41Å; F515-N519 WeakPolarHBondContact CE1-ND2 3.43Å; F515-N519 WeakPolarHBondContact CE2-ND2 3.17Å; F515-N519 WeakPolarHBondContact CG-ND2 3.45Å; F515-N519 WeakPolarHBondContact CZ-ND2 3.33Å; F515-N519 WeakPolarHBondContact O-CB 3.36Å; F515-N519 PolarHBondContact O-N 3.18Å; F515-N519 PolarHBondContact O-ND2 3.47Å; F515-T544 WeakPolarHBondContact CD2-OG1 2.99Å; F515-T544 HydrophobicContact CE2-CG2 4.25Å; F515-T544 VanDerWaalsContact CE2-OG1 3.28Å; F515-T544 WeakPolarHBondContact CE2-OG1 3.19Å
516	F	96	Very high	94.7	Very high	14 Å²	14	34 Å²	34	6%	0.061	21%	0.205	C	C	.	.	H	α-helix	trans	-68.7	-32.6	-178.9	-77.5	-72.5	0	0	0	112.6	I120 F199 W512 L513 T520	I120-F516 HydrophobicContact CD1-CE2 3.98Å; I120-F516 HydrophobicContact CD1-CZ 3.96Å; F199-F516 HydrophobicContact CB-CB 4.39Å; F199-F516 HydrophobicContact CB-CD1 3.65Å; F199-F516 HydrophobicContact CB-CD2 3.72Å; F199-F516 HydrophobicContact CB-CE1 3.72Å; F199-F516 HydrophobicContact CB-CE2 3.77Å; F199-F516 HydrophobicContact CB-CG 3.65Å; F199-F516 HydrophobicContact CB-CZ 3.79Å; F199-F516 HydrophobicContact CD1-CB 3.32Å; F199-F516 HydrophobicContact CD1-CD1 4.21Å; F199-F516 AromaticContact CD1-CD2 3.72Å; F199-F516 HydrophobicContact CD1-CD2 3.72Å; F199-F516 AromaticContact CD1-CG 3.5Å; F199-F516 HydrophobicContact CD1-CG 3.5Å; F199-F516 VanDerWaalsContact CD1-CG 3.5Å; F199-F516 HydrophobicContact CD2-CB 4.39Å; F199-F516 AromaticContact CD2-CD2 3.16Å; F199-F516 HydrophobicContact CD2-CD2 3.16Å; F199-F516 AromaticContact CD2-CE2 3.42Å; F199-F516 HydrophobicContact CD2-CE2 3.42Å; F199-F516 VanDerWaalsContact CD2-CE2 3.42Å; F199-F516 AromaticContact CD2-CG 3.84Å; F199-F516 HydrophobicContact CD2-CG 3.84Å; F199-F516 HydrophobicContact CD2-CZ 4.28Å; F199-F516 HydrophobicContact CE1-CB 3.55Å; F199-F516 HydrophobicContact CE1-CD2 4.09Å; F199-F516 HydrophobicContact CE1-CG 4.06Å; F199-F516 AromaticContact CE2-CD2 3.6Å; F199-F516 HydrophobicContact CE2-CD2 3.6Å; F199-F516 HydrophobicContact CE2-CE2 4.14Å; F199-F516 HydrophobicContact CE2-CG 4.36Å; F199-F516 HydrophobicContact CG-CB 3.78Å; F199-F516 AromaticContact CG-CD1 3.92Å; F199-F516 HydrophobicContact CG-CD1 3.92Å; F199-F516 AromaticContact CG-CD2 3.22Å; F199-F516 HydrophobicContact CG-CD2 3.22Å; F199-F516 HydrophobicContact CG-CE1 4.32Å; F199-F516 AromaticContact CG-CE2 3.67Å; F199-F516 HydrophobicContact CG-CE2 3.67Å; F199-F516 AromaticContact CG-CG 3.36Å; F199-F516 HydrophobicContact CG-CG 3.36Å; F199-F516 HydrophobicContact CG-CZ 4.21Å; F199-F516 HydrophobicContact CZ-CB 4.18Å; F199-F516 HydrophobicContact CZ-CD2 4.03Å; F199-F516 HydrophobicContact CZ-CG 4.45Å; W512-F516 HydrophobicContact CB-CD2 4Å; W512-F516 HydrophobicContact CB-CE2 4.09Å; W512-F516 AromaticContact CD2-CE2 3.87Å; W512-F516 HydrophobicContact CD2-CE2 3.87Å; W512-F516 AromaticContact CE3-CD2 3.93Å; W512-F516 HydrophobicContact CE3-CD2 3.93Å; W512-F516 AromaticContact CE3-CE2 3.29Å; W512-F516 HydrophobicContact CE3-CE2 3.29Å; W512-F516 HydrophobicContact CE3-CZ 4.08Å; W512-F516 HydrophobicContact CG-CE2 4.24Å; W512-F516 AromaticContact CZ3-CE2 3.95Å; W512-F516 HydrophobicContact CZ3-CE2 3.95Å; W512-F516 HydrophobicContact CZ3-CZ 4.3Å; W512-F516 WeakPolarHBondContact O-CD2 3.18Å; W512-F516 PolarHBondContact O-N 3.46Å; L513-F516 PolarHBondContact O-N 3.42Å; F516-T520 VanDerWaalsContact O-CB 3.24Å; F516-T520 WeakPolarHBondContact O-CB 3.44Å; F516-T520 PolarHBondContact O-N 3.26Å; F516-T520 PolarHBondContact O-OG1 3.5Å
517	S	96	Very high	94.5	Very high	45 Å²	45	37.6 Å²	37.6	32%	0.315	21%	0.21	S	C	.	.	H	α-helix	trans	-60.4	-50.3	170.7	-74.7	0	0	0	0	111.8	L513 F515 T520 L521	L513-S517 VanDerWaalsContact O-CB 3.24Å; L513-S517 WeakPolarHBondContact O-CB 3.38Å; L513-S517 PolarHBondContact O-N 3.41Å; L513-S517 PolarHBondContact O-OG 3.22Å; L513-S517 VanDerWaalsContact O-OG 3.07Å; F515-S517 VanDerWaalsContact C-N 3.33Å; F515-S517 PolarHBondContact O-N 3.39Å; S517-T520 PolarHBondContact O-N 3.46Å; S517-L521 VanDerWaalsContact O-CB 3.29Å; S517-L521 WeakPolarHBondContact O-CB 3.42Å; S517-L521 PolarHBondContact O-N 3.22Å
518	L	94.4	Very high	94.2	Very high	36 Å²	36	41.3 Å²	41.3	19%	0.188	23%	0.228	C	C	.	.	H	α-helix	trans	-66.8	-41.6	-179.9	-67.5	-176.6	0	0	0	112.5	P514 F515 L521 S522 V535 P539 F540 T543	P514-L518 WeakPolarHBondContact O-CG 3.46Å; P514-L518 PolarHBondContact O-N 2.85Å; F515-L518 PolarHBondContact O-N 2.65Å; L518-L521 PolarHBondContact O-N 2.93Å; L518-S522 VanDerWaalsContact O-CB 3.31Å; L518-S522 WeakPolarHBondContact O-CB 3.02Å; L518-S522 PolarHBondContact O-N 3.46Å; L518-V535 HydrophobicContact CD1-CG1 4.37Å; L518-V535 HydrophobicContact CD2-CG1 4.19Å; L518-V535 HydrophobicContact CD2-CG2 4.22Å; L518-P539 HydrophobicContact CD1-CB 3.68Å; L518-F540 HydrophobicContact CB-CE1 4.01Å; L518-F540 HydrophobicContact CB-CZ 4.22Å; L518-T543 HydrophobicContact CD1-CG2 3.69Å
519	N	93.1	Very high	93.7	Very high	14 Å²	14	48.3 Å²	48.3	8%	0.075	27%	0.265	C	S	.	.	H	α-helix	trans	-63.4	-45.1	175.9	-81	-67.3	0	0	0	112.3	L191 F515 L521 S522 A523	L191-N519 HydrophobicContact CD1-CB 4.34Å; L191-N519 HydrophobicContact CD2-CB 4.41Å; F515-N519 WeakPolarHBondContact CD1-ND2 3.4Å; F515-N519 WeakPolarHBondContact CD2-ND2 3.41Å; F515-N519 WeakPolarHBondContact CE1-ND2 3.43Å; F515-N519 WeakPolarHBondContact CE2-ND2 3.17Å; F515-N519 WeakPolarHBondContact CG-ND2 3.45Å; F515-N519 WeakPolarHBondContact CZ-ND2 3.33Å; F515-N519 WeakPolarHBondContact O-CB 3.36Å; F515-N519 PolarHBondContact O-N 3.18Å; F515-N519 PolarHBondContact O-ND2 3.47Å; N519-L521 VanDerWaalsContact C-N 3.34Å; N519-L521 PolarHBondContact O-N 3.3Å; N519-S522 PolarHBondContact O-N 2.91Å; N519-A523 WeakPolarHBondContact O-CB 3.36Å; N519-A523 PolarHBondContact O-N 2.86Å
520	T	94.4	Very high	93.1	Very high	11 Å²	11	51 Å²	51	7%	0.067	28%	0.277	C	S	.	.	H	α-helix	trans	-63.7	-43.4	178.6	-54.8	0	0	0	0	110.4	F196 W200 F516 S517 A523 I524	F196-T520 HydrophobicContact CE2-CG2 4.43Å; W200-T520 PolarHBondContact NE1-OG1 3.06Å; F516-T520 VanDerWaalsContact O-CB 3.24Å; F516-T520 WeakPolarHBondContact O-CB 3.44Å; F516-T520 PolarHBondContact O-N 3.26Å; F516-T520 PolarHBondContact O-OG1 3.5Å; S517-T520 PolarHBondContact O-N 3.46Å; T520-A523 PolarHBondContact O-N 2.75Å; T520-I524 HydrophobicContact CG2-CD1 4.02Å; T520-I524 VanDerWaalsContact O-CG1 3.3Å; T520-I524 WeakPolarHBondContact O-CG1 3.04Å; T520-I524 PolarHBondContact O-N 2.96Å
521	L	93.5	Very high	92.1	Very high	77 Å²	77	52.5 Å²	52.5	40%	0.403	28%	0.281	S	S	.	.	H	α-helix	trans	-61	-49.2	176.1	179.9	63	0	0	0	111.3	S517 L518 N519 A523 I524 C525 V535	S517-L521 VanDerWaalsContact O-CB 3.29Å; S517-L521 WeakPolarHBondContact O-CB 3.42Å; S517-L521 PolarHBondContact O-N 3.22Å; L518-L521 PolarHBondContact O-N 2.93Å; N519-L521 VanDerWaalsContact C-N 3.34Å; N519-L521 PolarHBondContact O-N 3.3Å; L521-A523 VanDerWaalsContact C-N 3.28Å; L521-A523 PolarHBondContact O-N 3.06Å; L521-I524 PolarHBondContact O-N 3.44Å; L521-C525 WeakPolarHBondContact O-CB 3.41Å; L521-C525 PolarHBondContact O-N 2.92Å; L521-C525 PolarHBondContact O-SG 2.69Å; L521-V535 HydrophobicContact CD2-CG2 4.31Å
522	S	91.4	Very high	91.2	Very high	22 Å²	22	61 Å²	61	15%	0.154	32%	0.323	C	S	.	.	H	α-helix	trans	-61.5	-36.3	178.3	-174.3	0	0	0	0	112.3	L518 N519 C525 L526	L518-S522 VanDerWaalsContact O-CB 3.31Å; L518-S522 WeakPolarHBondContact O-CB 3.02Å; L518-S522 PolarHBondContact O-N 3.46Å; N519-S522 PolarHBondContact O-N 2.91Å; S522-C525 PolarHBondContact O-N 2.89Å; S522-L526 WeakPolarHBondContact O-CB 3.48Å; S522-L526 PolarHBondContact O-N 3.39Å
523	A	92.7	Very high	90.6	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.008	33%	0.332	C	S	.	.	H	α-helix	trans	-67	-43.9	176.3	0	0	0	0	0	112	L191 I192 N519 T520 L521 C525 L526 K527	L191-A523 HydrophobicContact CB-CB 4.01Å; L191-A523 HydrophobicContact CD2-CB 3.73Å; L191-A523 HydrophobicContact CG-CB 3.91Å; I192-A523 HydrophobicContact CD1-CB 4.27Å; I192-A523 HydrophobicContact CG1-CB 3.63Å; N519-A523 WeakPolarHBondContact O-CB 3.36Å; N519-A523 PolarHBondContact O-N 2.86Å; T520-A523 PolarHBondContact O-N 2.75Å; L521-A523 VanDerWaalsContact C-N 3.28Å; L521-A523 PolarHBondContact O-N 3.06Å; A523-C525 VanDerWaalsContact C-N 3.29Å; A523-C525 PolarHBondContact O-N 2.81Å; A523-L526 PolarHBondContact O-N 3.06Å; A523-K527 WeakPolarHBondContact O-CB 3.42Å; A523-K527 PolarHBondContact O-N 2.93Å
524	I	93	Very high	89.8	Confident	70 Å²	70	67 Å²	67	36%	0.359	35%	0.353	S	S	.	.	H	α-helix	trans	-61.1	-42.6	175.4	-70.2	166.5	0	0	0	110	I192 T520 L521 K527 L528	I192-I524 HydrophobicContact CD1-CG1 4.29Å; T520-I524 HydrophobicContact CG2-CD1 4.02Å; T520-I524 VanDerWaalsContact O-CG1 3.3Å; T520-I524 WeakPolarHBondContact O-CG1 3.04Å; T520-I524 PolarHBondContact O-N 2.96Å; L521-I524 PolarHBondContact O-N 3.44Å; I524-K527 PolarHBondContact O-N 3.48Å; I524-K527 VanDerWaalsContact O-N 3.13Å; I524-L528 HydrophobicContact CG2-CD1 3.78Å; I524-L528 HydrophobicContact CG2-CG 4.31Å; I524-L528 WeakPolarHBondContact O-CG 3.34Å; I524-L528 PolarHBondContact O-N 3.07Å
525	C	91.9	Very high	89.2	Confident	12 Å²	12	66.6 Å²	66.6	8%	0.081	35%	0.35	C	S	.	.	H	α-helix	trans	-72.6	-33.4	-177.6	-65.5	0	0	0	0	113.1	L521 S522 A523 K527 L528 D529 E530 C533	L521-C525 WeakPolarHBondContact O-CB 3.41Å; L521-C525 PolarHBondContact O-N 2.92Å; L521-C525 PolarHBondContact O-SG 2.69Å; S522-C525 PolarHBondContact O-N 2.89Å; A523-C525 VanDerWaalsContact C-N 3.29Å; A523-C525 PolarHBondContact O-N 2.81Å; C525-K527 VanDerWaalsContact C-N 3.29Å; C525-K527 PolarHBondContact O-N 2.84Å; C525-L528 PolarHBondContact O-N 3Å; C525-D529 PolarHBondContact O-N 2.04Å; C525-E530 PolarHBondContact O-N 2.66Å; C525-C533 HydrophobicContact CB-CB 3.45Å; C525-C533 VanDerWaalsContact CB-CB 3.45Å; C525-C533 WeakPolarHBondContact CB-SG 3.2Å; C525-C533 WeakPolarHBondContact SG-CB 3.48Å; C525-C533 CovalentContact SG-SG 2Å; C525-C533 PolarHBondContact SG-SG 3.46Å
526	L	88.1	Confident	88.8	Confident	91 Å²	91	67.7 Å²	67.7	48%	0.476	37%	0.367	S	S	.	.	H	α-helix	trans	-62.1	-38.1	167.2	-177.8	61.3	0	0	0	111.7	A188 S522 A523	A188-L526 HydrophobicContact CB-CB 4.37Å; A188-L526 HydrophobicContact CB-CD2 4.03Å; A188-L526 HydrophobicContact CB-CG 4.25Å; S522-L526 WeakPolarHBondContact O-CB 3.48Å; S522-L526 PolarHBondContact O-N 3.39Å; A523-L526 PolarHBondContact O-N 3.06Å
527	K	89.8	Confident	88.3	Confident	115 Å²	115	71.3 Å²	71.3	50%	0.5	38%	0.383	S	S	.	.	H	α-helix	trans	-75.2	-28.5	179.9	-171.5	162.2	-176.3	168.1	0	113.9	A188 D189 I192 A523 I524 C525	A188-K527 HydrophobicContact CB-CB 4.24Å; D189-K527 WeakPolarHBondContact OD1-CE 3.49Å; D189-K527 IonicContact OD1-NZ 3.28Å; D189-K527 PolarHBondContact OD1-NZ 3.43Å; I192-K527 HydrophobicContact CD1-CD 4.12Å; A523-K527 WeakPolarHBondContact O-CB 3.42Å; A523-K527 PolarHBondContact O-N 2.93Å; I524-K527 PolarHBondContact O-N 3.48Å; I524-K527 VanDerWaalsContact O-N 3.13Å; C525-K527 VanDerWaalsContact C-N 3.29Å; C525-K527 PolarHBondContact O-N 2.84Å
528	L	90.8	Very high	88	Confident	114 Å²	114	73.2 Å²	73.2	60%	0.597	39%	0.393	S	S	*	.	H	α-helix	trans	-89.3	-4.9	177.7	-67.2	177.2	0	0	0	113.6	I524 C525 E530	I524-L528 HydrophobicContact CG2-CD1 3.78Å; I524-L528 HydrophobicContact CG2-CG 4.31Å; I524-L528 WeakPolarHBondContact O-CG 3.34Å; I524-L528 PolarHBondContact O-N 3.07Å; C525-L528 PolarHBondContact O-N 3Å; L528-E530 HydrophobicContact CB-CB 4.42Å; L528-E530 HydrophobicContact CB-CG 3.99Å; L528-E530 PolarHBondContact O-N 3.39Å
529	D	84.4	Confident	88	Confident	147 Å²	147	74.2 Å²	74.2	79%	0.786	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	36.2	-175	-157.5	28.3	0	0	0	113.3	C525 P531	C525-D529 PolarHBondContact O-N 2.04Å; D529-P531 WeakPolarHBondContact O-CD 3.32Å
530	E	85.7	Confident	88	Confident	107 Å²	107	75.4 Å²	75.4	50%	0.5	41%	0.406	S	S	.	.			trans	-100.6	104.5	-175.9	-78.4	-66.4	164.5	0	0	111.2	C525 L528 M532 C533	C525-E530 PolarHBondContact O-N 2.66Å; L528-E530 HydrophobicContact CB-CB 4.42Å; L528-E530 HydrophobicContact CB-CG 3.99Å; L528-E530 PolarHBondContact O-N 3.39Å; E530-M532 VanDerWaalsContact C-N 3.35Å; E530-M532 PolarHBondContact O-N 2.92Å; E530-C533 PolarHBondContact O-N 3.43Å
531	P	75	Confident	87.9	Confident	91 Å²	91	77 Å²	77	59%	0.591	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-70	-28.8	-171.9	26.4	-34.3	0	0	0	113.2	D529 C533 Q534	D529-P531 WeakPolarHBondContact O-CD 3.32Å; P531-C533 PolarHBondContact O-N 3.34Å; P531-C533 VanDerWaalsContact O-N 3.15Å; P531-Q534 PolarHBondContact O-N 2.78Å
532	M	78.1	Confident	88	Confident	185 Å²	185	79.6 Å²	79.6	91%	0.911	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-70.2	-10.6	-177.2	-66.2	-143.1	-62.2	0	0	114.2	E530	E530-M532 VanDerWaalsContact C-N 3.35Å; E530-M532 PolarHBondContact O-N 2.92Å
533	C	84.6	Confident	88.2	Confident	34 Å²	34	79.3 Å²	79.3	23%	0.23	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-96.2	-2.1	-179.5	177.7	0	0	0	0	113.3	C525 E530 P531 V535	C525-C533 HydrophobicContact CB-CB 3.45Å; C525-C533 VanDerWaalsContact CB-CB 3.45Å; C525-C533 WeakPolarHBondContact CB-SG 3.2Å; C525-C533 WeakPolarHBondContact SG-CB 3.48Å; C525-C533 CovalentContact SG-SG 2Å; C525-C533 PolarHBondContact SG-SG 3.46Å; E530-C533 PolarHBondContact O-N 3.43Å; P531-C533 PolarHBondContact O-N 3.34Å; P531-C533 VanDerWaalsContact O-N 3.15Å; C533-V535 PolarHBondContact O-N 2.68Å; C533-V535 VanDerWaalsContact O-N 3.15Å
534	Q	79.3	Confident	88.3	Confident	152 Å²	152	80.9 Å²	80.9	71%	0.71	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-66.8	118.6	-178	-67.1	-169.5	-4.4	0	0	111.6	P531	P531-Q534 PolarHBondContact O-N 2.78Å
535	V	85.4	Confident	88.4	Confident	39 Å²	39	78.4 Å²	78.4	24%	0.236	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-83.4	127.3	177.5	-178.7	0	0	0	0	108.6	L518 L521 C533 P539 F540	L518-V535 HydrophobicContact CD1-CG1 4.37Å; L518-V535 HydrophobicContact CD2-CG1 4.19Å; L518-V535 HydrophobicContact CD2-CG2 4.22Å; L521-V535 HydrophobicContact CD2-CG2 4.31Å; C533-V535 PolarHBondContact O-N 2.68Å; C533-V535 VanDerWaalsContact O-N 3.15Å; V535-P539 HydrophobicContact CG1-CB 3.7Å; V535-P539 HydrophobicContact CG1-CG 3.84Å; V535-F540 HydrophobicContact CB-CD2 4.35Å; V535-F540 HydrophobicContact CB-CE2 3.78Å; V535-F540 HydrophobicContact CG1-CD2 4.16Å; V535-F540 HydrophobicContact CG1-CE2 4.04Å
536	G	86.4	Confident	88.7	Confident	45 Å²	45	81.1 Å²	81.1	46%	0.464	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-64.9	170.9	178.7	0	0	0	0	0	113.8	T538 P539 F540	G536-T538 PolarHBondContact O-N 2.89Å; G536-P539 WeakPolarHBondContact O-CD 3.2Å; G536-F540 WeakPolarHBondContact O-CD2 3.45Å
537	F	86.9	Confident	89.1	Confident	90 Å²	90	76.8 Å²	76.8	40%	0.395	40%	0.404	S	S	.	.	H	α-helix	trans	-59.6	-42.9	-178.5	172.3	-95	0	0	0	113.7	R96 F540 F541	R96-F537 HydrophobicContact CG-CZ 4.44Å; F537-F540 WeakPolarHBondContact O-CA 3.44Å; F537-F540 WeakPolarHBondContact O-CB 3.5Å; F537-F540 PolarHBondContact O-N 3.03Å; F537-F541 HydrophobicContact CD1-CB 4.29Å; F537-F541 HydrophobicContact CE1-CB 3.62Å; F537-F541 HydrophobicContact CE1-CD2 4.14Å; F537-F541 HydrophobicContact CE1-CG 4.05Å; F537-F541 HydrophobicContact CE2-CB 4.38Å; F537-F541 HydrophobicContact CZ-CB 3.67Å; F537-F541 AromaticContact CZ-CD2 3.82Å; F537-F541 HydrophobicContact CZ-CD2 3.82Å; F537-F541 HydrophobicContact CZ-CG 4.09Å; F537-F541 PolarHBondContact O-N 3.43Å
538	T	90.1	Very high	89.4	Confident	85 Å²	85	71.5 Å²	71.5	52%	0.521	38%	0.381	S	S	.	.	H	α-helix	trans	-56.5	-48.9	-171.6	-56.3	0	0	0	0	113.2	G536 F540 F541 F542	G536-T538 PolarHBondContact O-N 2.89Å; T538-F540 PolarHBondContact O-N 2.99Å; T538-F541 PolarHBondContact O-N 2.92Å; T538-F542 HydrophobicContact CG2-CD2 3.84Å; T538-F542 HydrophobicContact CG2-CE2 3.55Å; T538-F542 WeakPolarHBondContact O-CD2 3.15Å; T538-F542 PolarHBondContact O-N 2.92Å
539	P	93.3	Very high	89.6	Confident	56 Å²	56	67.7 Å²	67.7	36%	0.364	36%	0.361	S	S	.	.	H	α-helix	trans	-56.7	-43.1	170.7	-26.9	32.5	0	0	0	114.3	L518 V535 G536 F542 T543	L518-P539 HydrophobicContact CD1-CB 3.68Å; V535-P539 HydrophobicContact CG1-CB 3.7Å; V535-P539 HydrophobicContact CG1-CG 3.84Å; G536-P539 WeakPolarHBondContact O-CD 3.2Å; P539-F542 PolarHBondContact O-N 2.75Å; P539-T543 WeakPolarHBondContact O-CB 3.28Å; P539-T543 VanDerWaalsContact O-CG2 3.29Å; P539-T543 WeakPolarHBondContact O-CG2 3.48Å; P539-T543 PolarHBondContact O-N 3.49Å; P539-T543 PolarHBondContact O-OG1 2.88Å
540	F	92.5	Very high	90.1	Very high	40 Å²	40	60.7 Å²	60.7	18%	0.175	32%	0.323	C	S	.	.	H	α-helix	trans	-63.4	-43.5	178.6	-86.1	-69.3	0	0	0	112.1	L518 V535 G536 F537 T538 T543 T544	L518-F540 HydrophobicContact CB-CE1 4.01Å; L518-F540 HydrophobicContact CB-CZ 4.22Å; V535-F540 HydrophobicContact CB-CD2 4.35Å; V535-F540 HydrophobicContact CB-CE2 3.78Å; V535-F540 HydrophobicContact CG1-CD2 4.16Å; V535-F540 HydrophobicContact CG1-CE2 4.04Å; G536-F540 WeakPolarHBondContact O-CD2 3.45Å; F537-F540 WeakPolarHBondContact O-CA 3.44Å; F537-F540 WeakPolarHBondContact O-CB 3.5Å; F537-F540 PolarHBondContact O-N 3.03Å; T538-F540 PolarHBondContact O-N 2.99Å; F540-T543 PolarHBondContact O-N 3.09Å; F540-T543 PolarHBondContact O-OG1 3.27Å; F540-T544 WeakPolarHBondContact O-CB 3.29Å; F540-T544 PolarHBondContact O-N 3.07Å; F540-T544 PolarHBondContact O-OG1 3.4Å
541	F	93	Very high	90.6	Very high	43 Å²	43	55.7 Å²	55.7	19%	0.189	30%	0.3	C	S	.	.	H	α-helix	trans	-54.7	-56.8	175.1	172.9	-97.2	0	0	0	111.3	L38 E92 F537 T538 T543 T544 W545	L38-F541 HydrophobicContact CD1-CE2 4.28Å; L38-F541 HydrophobicContact CD1-CZ 4.37Å; E92-F541 HydrophobicContact CG-CE2 4.15Å; E92-F541 WeakPolarHBondContact OE1-CD2 3.38Å; E92-F541 WeakPolarHBondContact OE2-CE2 3.36Å; F537-F541 HydrophobicContact CD1-CB 4.29Å; F537-F541 HydrophobicContact CE1-CB 3.62Å; F537-F541 HydrophobicContact CE1-CD2 4.14Å; F537-F541 HydrophobicContact CE1-CG 4.05Å; F537-F541 HydrophobicContact CE2-CB 4.38Å; F537-F541 HydrophobicContact CZ-CB 3.67Å; F537-F541 AromaticContact CZ-CD2 3.82Å; F537-F541 HydrophobicContact CZ-CD2 3.82Å; F537-F541 HydrophobicContact CZ-CG 4.09Å; F537-F541 PolarHBondContact O-N 3.43Å; T538-F541 PolarHBondContact O-N 2.92Å; F541-T543 PolarHBondContact O-N 3.45Å; F541-T544 PolarHBondContact O-N 2.94Å; F541-W545 AromaticContact CD2-CD1 3.61Å; F541-W545 AromaticContact CD2-NE1 3.7Å; F541-W545 AromaticContact CE2-CD1 3.43Å; F541-W545 VanDerWaalsContact CE2-CD1 3.43Å; F541-W545 AromaticContact CE2-NE1 3.32Å; F541-W545 VanDerWaalsContact CE2-NE1 3.32Å; F541-W545 AromaticContact CZ-CD1 3.79Å; F541-W545 AromaticContact CZ-NE1 3.98Å; F541-W545 VanDerWaalsContact O-CD1 3.23Å; F541-W545 PolarHBondContact O-N 3.39Å; F541-W545 VanDerWaalsContact O-N 3.09Å
542	F	95.2	Very high	91.5	Very high	133 Å²	133	52.7 Å²	52.7	58%	0.583	28%	0.277	S	S	*	.	H	α-helix	trans	-64.6	-40.6	-176.8	-75.1	-64.7	0	0	0	112.6	T538 P539 L546	T538-F542 HydrophobicContact CG2-CD2 3.84Å; T538-F542 HydrophobicContact CG2-CE2 3.55Å; T538-F542 WeakPolarHBondContact O-CD2 3.15Å; T538-F542 PolarHBondContact O-N 2.92Å; P539-F542 PolarHBondContact O-N 2.75Å; F542-L546 WeakPolarHBondContact O-CB 3.48Å; F542-L546 PolarHBondContact O-N 3.1Å
543	T	96.3	Very high	92.3	Very high	16 Å²	16	46.7 Å²	46.7	10%	0.098	25%	0.248	C	C	.	.	H	α-helix	trans	-72.5	-35.3	-179.2	55.7	0	0	0	0	113	P514 L518 P539 F540 F541 L546 G547	P514-T543 HydrophobicContact CB-CG2 3.5Å; P514-T543 VanDerWaalsContact CB-CG2 3.5Å; L518-T543 HydrophobicContact CD1-CG2 3.69Å; P539-T543 WeakPolarHBondContact O-CB 3.28Å; P539-T543 VanDerWaalsContact O-CG2 3.29Å; P539-T543 WeakPolarHBondContact O-CG2 3.48Å; P539-T543 PolarHBondContact O-N 3.49Å; P539-T543 PolarHBondContact O-OG1 2.88Å; F540-T543 PolarHBondContact O-N 3.09Å; F540-T543 PolarHBondContact O-OG1 3.27Å; F541-T543 PolarHBondContact O-N 3.45Å; T543-L546 PolarHBondContact O-N 2.7Å; T543-G547 PolarHBondContact O-N 2.82Å
544	T	94.9	Very high	92.7	Very high	33 Å²	33	45.1 Å²	45.1	20%	0.202	24%	0.237	C	C	.	.	H	α-helix	trans	-63.2	-51.5	174.4	-57.5	0	0	0	0	110.6	F515 F540 F541 L546 G547 Y548	F515-T544 WeakPolarHBondContact CD2-OG1 2.99Å; F515-T544 HydrophobicContact CE2-CG2 4.25Å; F515-T544 VanDerWaalsContact CE2-OG1 3.28Å; F515-T544 WeakPolarHBondContact CE2-OG1 3.19Å; F540-T544 WeakPolarHBondContact O-CB 3.29Å; F540-T544 PolarHBondContact O-N 3.07Å; F540-T544 PolarHBondContact O-OG1 3.4Å; F541-T544 PolarHBondContact O-N 2.94Å; T544-L546 VanDerWaalsContact C-N 3.32Å; T544-L546 PolarHBondContact O-N 2.88Å; T544-G547 WeakPolarHBondContact O-CA 3.03Å; T544-G547 PolarHBondContact O-N 3.09Å; T544-G547 VanDerWaalsContact O-N 3.11Å; T544-Y548 HydrophobicContact CG2-CD2 4.2Å; T544-Y548 HydrophobicContact CG2-CE2 3.59Å; T544-Y548 PolarHBondContact O-N 3.45Å
545	W	95.9	Very high	93.5	Very high	18 Å²	18	38.1 Å²	38.1	7%	0.068	21%	0.205	C	C	.	.	H	α-helix	trans	-63	-39.9	177	-77.5	106.4	0	0	0	111.6	L38 I41 A88 V89 E92 F541 G547 Y548 M549	L38-W545 HydrophobicContact CB-CH2 3.64Å; L38-W545 HydrophobicContact CB-CZ2 3.88Å; L38-W545 HydrophobicContact CB-CZ3 4.08Å; L38-W545 HydrophobicContact CD1-CH2 4.2Å; L38-W545 HydrophobicContact CD1-CZ2 3.53Å; L38-W545 HydrophobicContact CD2-CD2 4Å; L38-W545 HydrophobicContact CD2-CE3 4.21Å; L38-W545 HydrophobicContact CD2-CH2 4.42Å; L38-W545 HydrophobicContact CD2-CZ2 4.24Å; L38-W545 HydrophobicContact CD2-CZ3 4.4Å; L38-W545 HydrophobicContact CG-CH2 4.29Å; L38-W545 HydrophobicContact CG-CZ2 4.08Å; I41-W545 HydrophobicContact CB-CZ3 4.29Å; I41-W545 HydrophobicContact CD1-CE3 3.57Å; I41-W545 HydrophobicContact CD1-CZ3 3.69Å; I41-W545 HydrophobicContact CG2-CZ3 4.28Å; A88-W545 HydrophobicContact CB-CH2 4.41Å; A88-W545 HydrophobicContact CB-CZ2 4.25Å; V89-W545 HydrophobicContact CG2-CH2 3.65Å; V89-W545 HydrophobicContact CG2-CZ2 4.3Å; E92-W545 HydrophobicContact CG-CZ2 4.41Å; F541-W545 AromaticContact CD2-CD1 3.61Å; F541-W545 AromaticContact CD2-NE1 3.7Å; F541-W545 AromaticContact CE2-CD1 3.43Å; F541-W545 VanDerWaalsContact CE2-CD1 3.43Å; F541-W545 AromaticContact CE2-NE1 3.32Å; F541-W545 VanDerWaalsContact CE2-NE1 3.32Å; F541-W545 AromaticContact CZ-CD1 3.79Å; F541-W545 AromaticContact CZ-NE1 3.98Å; F541-W545 VanDerWaalsContact O-CD1 3.23Å; F541-W545 PolarHBondContact O-N 3.39Å; F541-W545 VanDerWaalsContact O-N 3.09Å; W545-G547 VanDerWaalsContact C-N 3.29Å; W545-G547 PolarHBondContact O-N 3.38Å; W545-Y548 HydrophobicContact CD2-CD2 4.31Å; W545-Y548 AromaticContact CE3-CD2 3.95Å; W545-Y548 HydrophobicContact CE3-CD2 3.95Å; W545-Y548 HydrophobicContact CZ3-CD2 4.2Å; W545-Y548 PolarHBondContact O-N 3.41Å; W545-M549 VanDerWaalsContact O-CE 3.29Å; W545-M549 WeakPolarHBondContact O-CE 3.3Å; W545-M549 VanDerWaalsContact O-CG 3.29Å; W545-M549 WeakPolarHBondContact O-CG 3.02Å; W545-M549 PolarHBondContact O-N 3.38Å
546	L	96.6	Very high	93.9	Very high	69 Å²	69	39.6 Å²	39.6	36%	0.361	21%	0.211	S	C	.	.	H	α-helix	trans	-59	-38.6	173.2	-179.9	59.8	0	0	0	112.6	A510 C511 P514 F542 T543 T544 M549	A510-L546 WeakPolarHBondContact O-CD2 3.24Å; C511-L546 WeakPolarHBondContact CB-O 3.35Å; C511-L546 CarbonylContact O-C 3.57Å; C511-L546 PolarHBondContact SG-O 3.42Å; P514-L546 HydrophobicContact CG-CD2 4.1Å; F542-L546 WeakPolarHBondContact O-CB 3.48Å; F542-L546 PolarHBondContact O-N 3.1Å; T543-L546 PolarHBondContact O-N 2.7Å; T544-L546 VanDerWaalsContact C-N 3.32Å; T544-L546 PolarHBondContact O-N 2.88Å; L546-M549 WeakPolarHBondContact O-CB 3.38Å; L546-M549 PolarHBondContact O-N 3.38Å
547	G	96.1	Very high	94.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.2	-50.3	171.6	0	0	0	0	0	112	C511 T543 T544 W545 M549 N550	C511-G547 WeakPolarHBondContact O-CA 3.38Å; C511-G547 PolarHBondContact O-N 2.92Å; T543-G547 PolarHBondContact O-N 2.82Å; T544-G547 WeakPolarHBondContact O-CA 3.03Å; T544-G547 PolarHBondContact O-N 3.09Å; T544-G547 VanDerWaalsContact O-N 3.11Å; W545-G547 VanDerWaalsContact C-N 3.29Å; W545-G547 PolarHBondContact O-N 3.38Å; G547-M549 PolarHBondContact O-N 2.85Å; G547-M549 VanDerWaalsContact O-N 3.17Å; G547-N550 WeakPolarHBondContact O-CB 3.16Å; G547-N550 PolarHBondContact O-N 3.49Å
548	Y	96.6	Very high	94.4	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.016	17%	0.174	C	C	.	.	H	α-helix	trans	-59.4	-26	175.1	-66.8	-26	0	0	0	113.6	V80 V84 M85 A88 Y108 T544 W545 N550 S551	V80-Y548 HydrophobicContact CG1-CD1 4.14Å; V80-Y548 HydrophobicContact CG1-CE1 4.37Å; V84-Y548 HydrophobicContact CG1-CE1 3.93Å; V84-Y548 WeakPolarHBondContact CG1-OH 3.24Å; M85-Y548 HydrophobicContact CE-CD1 4.4Å; M85-Y548 HydrophobicContact CE-CG 4.23Å; M85-Y548 WeakPolarHBondContact CE-O 3.36Å; M85-Y548 HydrophobicContact CG-CD2 4.4Å; M85-Y548 HydrophobicContact CG-CG 4.3Å; A88-Y548 HydrophobicContact CB-CE2 3.84Å; Y108-Y548 PolarHBondContact OH-OH 2.99Å; T544-Y548 HydrophobicContact CG2-CD2 4.2Å; T544-Y548 HydrophobicContact CG2-CE2 3.59Å; T544-Y548 PolarHBondContact O-N 3.45Å; W545-Y548 HydrophobicContact CD2-CD2 4.31Å; W545-Y548 AromaticContact CE3-CD2 3.95Å; W545-Y548 HydrophobicContact CE3-CD2 3.95Å; W545-Y548 HydrophobicContact CZ3-CD2 4.2Å; W545-Y548 PolarHBondContact O-N 3.41Å; Y548-N550 PolarHBondContact O-N 3.43Å; Y548-S551 PolarHBondContact O-N 2.95Å
549	M	95.3	Very high	94.4	Very high	35 Å²	35	31.8 Å²	31.8	17%	0.172	16%	0.16	C	C	.	.	H	α-helix	trans	-61.4	-28	174.8	-54.1	-62	71.3	0	0	112	I41 W545 L546 G547 S551 F552 M553	I41-M549 HydrophobicContact CB-CE 3.91Å; I41-M549 HydrophobicContact CD1-CE 3.51Å; I41-M549 HydrophobicContact CD1-SD 4.27Å; I41-M549 HydrophobicContact CG1-CE 3.43Å; I41-M549 VanDerWaalsContact CG1-CE 3.43Å; I41-M549 HydrophobicContact CG1-SD 4.2Å; I41-M549 HydrophobicContact CG2-CE 3.21Å; W545-M549 VanDerWaalsContact O-CE 3.29Å; W545-M549 WeakPolarHBondContact O-CE 3.3Å; W545-M549 VanDerWaalsContact O-CG 3.29Å; W545-M549 WeakPolarHBondContact O-CG 3.02Å; W545-M549 PolarHBondContact O-N 3.38Å; L546-M549 WeakPolarHBondContact O-CB 3.38Å; L546-M549 PolarHBondContact O-N 3.38Å; G547-M549 PolarHBondContact O-N 2.85Å; G547-M549 VanDerWaalsContact O-N 3.17Å; M549-S551 PolarHBondContact O-N 3Å; M549-F552 VanDerWaalsContact CA-CE1 3.48Å; M549-F552 HydrophobicContact CB-CD1 4.3Å; M549-F552 HydrophobicContact CB-CE1 3.6Å; M549-F552 HydrophobicContact CB-CZ 4.23Å; M549-F552 HydrophobicContact CE-CD1 4.3Å; M549-F552 HydrophobicContact CE-CE1 3.71Å; M549-F552 HydrophobicContact CG-CE1 4.04Å; M549-F552 WeakPolarHBondContact O-CD1 3.38Å; M549-F552 WeakPolarHBondContact O-CE1 3.18Å; M549-F552 PolarHBondContact O-N 2.89Å; M549-F552 HydrophobicContact SD-CE1 3.48Å; M549-F552 WeakPolarHBondContact SD-CE1 3.17Å; M549-F552 HydrophobicContact SD-CZ 4.05Å; M549-M553 VanDerWaalsContact O-CG 3.23Å; M549-M553 WeakPolarHBondContact O-CG 3.42Å; M549-M553 PolarHBondContact O-N 3.27Å; M549-M553 VanDerWaalsContact O-N 3.13Å
550	N	95.4	Very high	94.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-52.6	-43.8	179.9	-170.7	-85.6	0	0	0	112.1	F508 C511 W512 G547 Y548 F552 M553 N554	F508-N550 WeakPolarHBondContact CA-ND2 3.28Å; C511-N550 HydrophobicContact CB-CB 3.83Å; W512-N550 VanDerWaalsContact NE1-CB 3.3Å; W512-N550 VanDerWaalsContact NE1-CG 3.33Å; G547-N550 WeakPolarHBondContact O-CB 3.16Å; G547-N550 PolarHBondContact O-N 3.49Å; Y548-N550 PolarHBondContact O-N 3.43Å; N550-F552 VanDerWaalsContact C-N 3.31Å; N550-F552 PolarHBondContact O-N 3.23Å; N550-M553 PolarHBondContact O-N 2.8Å; N550-M553 VanDerWaalsContact O-N 3.1Å; N550-N554 PolarHBondContact O-N 3.19Å; N550-N554 PolarHBondContact OD1-ND2 3.37Å
551	S	95.8	Very high	94	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.007	17%	0.173	C	C	.	.	H	α-helix	trans	-65.4	-27	-173.2	-65.6	0	0	0	0	114.1	N49 D77 Y548 M549	N49-S551 PolarHBondContact ND2-O 2.73Å; D77-S551 WeakPolarHBondContact OD1-CA 3Å; D77-S551 WeakPolarHBondContact OD1-CB 3.45Å; D77-S551 PolarHBondContact OD1-OG 3.35Å; Y548-S551 PolarHBondContact O-N 2.95Å; M549-S551 PolarHBondContact O-N 3Å
552	F	93.5	Very high	93.7	Very high	28 Å²	28	35.2 Å²	35.2	12%	0.123	18%	0.175	C	C	.	.	H	α-helix	trans	-95	-20.4	171.4	80.7	-96.2	0	0	0	113.7	I41 T45 M549 N550 N554 P555 I556	I41-F552 HydrophobicContact CG2-CD1 4.48Å; T45-F552 WeakPolarHBondContact OG1-CB 3.4Å; M549-F552 VanDerWaalsContact CA-CE1 3.48Å; M549-F552 HydrophobicContact CB-CD1 4.3Å; M549-F552 HydrophobicContact CB-CE1 3.6Å; M549-F552 HydrophobicContact CB-CZ 4.23Å; M549-F552 HydrophobicContact CE-CD1 4.3Å; M549-F552 HydrophobicContact CE-CE1 3.71Å; M549-F552 HydrophobicContact CG-CE1 4.04Å; M549-F552 WeakPolarHBondContact O-CD1 3.38Å; M549-F552 WeakPolarHBondContact O-CE1 3.18Å; M549-F552 PolarHBondContact O-N 2.89Å; M549-F552 HydrophobicContact SD-CE1 3.48Å; M549-F552 WeakPolarHBondContact SD-CE1 3.17Å; M549-F552 HydrophobicContact SD-CZ 4.05Å; N550-F552 VanDerWaalsContact C-N 3.31Å; N550-F552 PolarHBondContact O-N 3.23Å; F552-N554 VanDerWaalsContact C-N 3.28Å; F552-N554 PolarHBondContact O-N 3.22Å; F552-P555 WeakPolarHBondContact O-CD 3.15Å; F552-I556 HydrophobicContact CD2-CD1 3.65Å; F552-I556 HydrophobicContact CE2-CD1 3.73Å
553	M	95.7	Very high	93.4	Very high	59 Å²	59	32.4 Å²	32.4	29%	0.291	17%	0.166	S	C	.	.	H	α-helix	trans	-66.6	-32.1	177.8	-71.4	-63.8	174.6	0	0	111.9	V507 M549 N550 I556 I557	V507-M553 HydrophobicContact CG1-CB 3.76Å; V507-M553 HydrophobicContact CG1-CG 4.06Å; M549-M553 VanDerWaalsContact O-CG 3.23Å; M549-M553 WeakPolarHBondContact O-CG 3.42Å; M549-M553 PolarHBondContact O-N 3.27Å; M549-M553 VanDerWaalsContact O-N 3.13Å; N550-M553 PolarHBondContact O-N 2.8Å; N550-M553 VanDerWaalsContact O-N 3.1Å; M553-I556 WeakPolarHBondContact O-CB 3.33Å; M553-I556 PolarHBondContact O-N 3.37Å; M553-I556 VanDerWaalsContact O-N 3.1Å; M553-I556 HydrophobicContact SD-CD1 4.14Å; M553-I557 VanDerWaalsContact O-CG1 3.28Å; M553-I557 WeakPolarHBondContact O-CG1 3.47Å; M553-I557 PolarHBondContact O-N 2.85Å
554	N	93	Very high	93	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-54.9	-55.4	179.5	-70.4	-30	0	0	0	112.6	D77 N550 F552 I556 I557 Y558	D77-N554 PolarHBondContact OD2-ND2 3.49Å; N550-N554 PolarHBondContact O-N 3.19Å; N550-N554 PolarHBondContact OD1-ND2 3.37Å; F552-N554 VanDerWaalsContact C-N 3.28Å; F552-N554 PolarHBondContact O-N 3.22Å; N554-I556 VanDerWaalsContact C-N 3.31Å; N554-I556 PolarHBondContact O-N 3.36Å; N554-I557 PolarHBondContact O-N 2.76Å; N554-I557 VanDerWaalsContact O-N 3.17Å; N554-Y558 HydrophobicContact CB-CE2 4.11Å; N554-Y558 WeakPolarHBondContact O-CD2 3.29Å; N554-Y558 PolarHBondContact O-N 2.81Å
555	P	94.7	Very high	92.9	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.032	16%	0.163	C	C	.	.	H	α-helix	trans	-52	-42.3	170.8	-29.2	32.6	0	0	0	114.8	G48 N49 V52 F552 I557 Y558 T559	G48-P555 VanDerWaalsContact C-CG 3.45Å; N49-P555 WeakPolarHBondContact OD1-CG 3.47Å; V52-P555 HydrophobicContact CG2-CB 4.15Å; V52-P555 HydrophobicContact CG2-CG 4.03Å; F552-P555 WeakPolarHBondContact O-CD 3.15Å; P555-I557 PolarHBondContact O-N 3.06Å; P555-Y558 PolarHBondContact O-N 3.43Å; P555-T559 WeakPolarHBondContact O-CG2 3.34Å; P555-T559 PolarHBondContact O-N 2.63Å; P555-T559 PolarHBondContact O-OG1 2.91Å
556	I	94.6	Very high	92.8	Very high	71 Å²	71	36.5 Å²	36.5	36%	0.364	18%	0.178	S	C	.	.	H	α-helix	trans	-60.9	-47	178.3	-65.8	175.2	0	0	0	110.1	F552 M553 N554 Y558 T559 L560	F552-I556 HydrophobicContact CD2-CD1 3.65Å; F552-I556 HydrophobicContact CE2-CD1 3.73Å; M553-I556 WeakPolarHBondContact O-CB 3.33Å; M553-I556 PolarHBondContact O-N 3.37Å; M553-I556 VanDerWaalsContact O-N 3.1Å; M553-I556 HydrophobicContact SD-CD1 4.14Å; N554-I556 VanDerWaalsContact C-N 3.31Å; N554-I556 PolarHBondContact O-N 3.36Å; I556-Y558 VanDerWaalsContact C-N 3.31Å; I556-Y558 PolarHBondContact O-N 3Å; I556-T559 PolarHBondContact O-N 3.03Å; I556-T559 PolarHBondContact O-OG1 3.15Å; I556-L560 HydrophobicContact CG2-CD1 3.72Å; I556-L560 HydrophobicContact CG2-CG 4.24Å; I556-L560 WeakPolarHBondContact O-CB 3.27Å; I556-L560 WeakPolarHBondContact O-CG 3.14Å; I556-L560 PolarHBondContact O-N 3.03Å
557	I	93.7	Very high	92.6	Very high	8 Å²	8	39 Å²	39	4%	0.041	19%	0.186	C	C	.	.	H	α-helix	trans	-60.5	-42.4	178.4	-63.8	164.3	0	0	0	110.7	T500 I503 V504 V507 M553 N554 P555 L560 F561	T500-I557 HydrophobicContact CG2-CG2 4.11Å; I503-I557 HydrophobicContact CG2-CD1 4.4Å; I503-I557 HydrophobicContact CG2-CG1 4.25Å; I503-I557 HydrophobicContact CG2-CG2 4.2Å; V504-I557 HydrophobicContact CG2-CD1 4.29Å; V504-I557 HydrophobicContact CG2-CG2 3.66Å; V507-I557 HydrophobicContact CB-CD1 4.05Å; V507-I557 HydrophobicContact CG1-CD1 4.23Å; V507-I557 HydrophobicContact CG2-CD1 3.97Å; M553-I557 VanDerWaalsContact O-CG1 3.28Å; M553-I557 WeakPolarHBondContact O-CG1 3.47Å; M553-I557 PolarHBondContact O-N 2.85Å; N554-I557 PolarHBondContact O-N 2.76Å; N554-I557 VanDerWaalsContact O-N 3.17Å; P555-I557 PolarHBondContact O-N 3.06Å; I557-L560 PolarHBondContact O-N 3.02Å; I557-F561 HydrophobicContact CG2-CD2 3.88Å; I557-F561 WeakPolarHBondContact O-CD2 3.5Å; I557-F561 PolarHBondContact O-N 3.08Å
558	Y	89.9	Confident	92.5	Very high	11 Å²	11	39.2 Å²	39.2	4%	0.043	19%	0.187	C	C	.	.	H	α-helix	trans	-64.4	-42.1	177.6	-58	-40.5	0	0	0	112.6	V52 I70 L73 N554 P555 I556 L560 N562	V52-Y558 HydrophobicContact CG2-CD2 4.09Å; I70-Y558 HydrophobicContact CD1-CE1 4.11Å; I70-Y558 HydrophobicContact CG1-CE1 4.39Å; I70-Y558 HydrophobicContact CG2-CD2 4.09Å; I70-Y558 HydrophobicContact CG2-CE1 4.44Å; I70-Y558 HydrophobicContact CG2-CE2 3.52Å; L73-Y558 VanDerWaalsContact CD2-OH 3.3Å; L73-Y558 WeakPolarHBondContact CD2-OH 3.3Å; N554-Y558 HydrophobicContact CB-CE2 4.11Å; N554-Y558 WeakPolarHBondContact O-CD2 3.29Å; N554-Y558 PolarHBondContact O-N 2.81Å; P555-Y558 PolarHBondContact O-N 3.43Å; I556-Y558 VanDerWaalsContact C-N 3.31Å; I556-Y558 PolarHBondContact O-N 3Å; Y558-L560 PolarHBondContact O-N 2.93Å; Y558-N562 WeakPolarHBondContact O-CA 3.43Å; Y558-N562 VanDerWaalsContact O-CB 3.23Å; Y558-N562 WeakPolarHBondContact O-CB 3.31Å; Y558-N562 PolarHBondContact O-N 2.75Å
559	T	89.5	Confident	92.3	Very high	37 Å²	37	39.6 Å²	39.6	23%	0.227	19%	0.189	C	C	.	.	H	α-helix	trans	-66.3	-37.2	177	59.5	0	0	0	0	112.9	P555 I556 R566 F569	P555-T559 WeakPolarHBondContact O-CG2 3.34Å; P555-T559 PolarHBondContact O-N 2.63Å; P555-T559 PolarHBondContact O-OG1 2.91Å; I556-T559 PolarHBondContact O-N 3.03Å; I556-T559 PolarHBondContact O-OG1 3.15Å; T559-R566 WeakPolarHBondContact O-CB 3.49Å; T559-R566 WeakPolarHBondContact O-CG 3.24Å; T559-R566 PolarHBondContact O-NE 3.49Å; T559-F569 HydrophobicContact CG2-CB 4.4Å; T559-F569 HydrophobicContact CG2-CD2 3.08Å; T559-F569 HydrophobicContact CG2-CE2 3.29Å; T559-F569 HydrophobicContact CG2-CG 3.84Å; T559-F569 HydrophobicContact CG2-CZ 4.2Å
560	L	89.4	Confident	92.2	Very high	94 Å²	94	44.3 Å²	44.3	49%	0.492	21%	0.208	S	C	.	.	H	α-helix	trans	-78	-37	-178.3	-69.1	179.9	0	0	0	113.1	I556 I557 Y558 R566	I556-L560 HydrophobicContact CG2-CD1 3.72Å; I556-L560 HydrophobicContact CG2-CG 4.24Å; I556-L560 WeakPolarHBondContact O-CB 3.27Å; I556-L560 WeakPolarHBondContact O-CG 3.14Å; I556-L560 PolarHBondContact O-N 3.03Å; I557-L560 PolarHBondContact O-N 3.02Å; Y558-L560 PolarHBondContact O-N 2.93Å; L560-R566 PolarHBondContact O-NH2 3.46Å
561	F	88.6	Confident	92	Very high	72 Å²	72	45.7 Å²	45.7	32%	0.316	22%	0.22	S	C	.	.	H	α-helix	trans	-114.1	-17.4	-171.2	-58.4	-72.9	0	0	0	114.6	T500 I503 I557	T500-F561 HydrophobicContact CG2-CB 4Å; T500-F561 WeakPolarHBondContact OG1-CB 3.28Å; I503-F561 HydrophobicContact CD1-CD1 3.95Å; I503-F561 HydrophobicContact CD1-CD2 4.01Å; I503-F561 HydrophobicContact CD1-CE1 3.55Å; I503-F561 HydrophobicContact CD1-CE2 3.62Å; I503-F561 HydrophobicContact CD1-CG 4.18Å; I503-F561 HydrophobicContact CD1-CZ 3.38Å; I503-F561 HydrophobicContact CG2-CD2 4.44Å; I503-F561 HydrophobicContact CG2-CE2 4Å; I557-F561 HydrophobicContact CG2-CD2 3.88Å; I557-F561 WeakPolarHBondContact O-CD2 3.5Å; I557-F561 PolarHBondContact O-N 3.08Å
562	N	87.3	Confident	91.9	Very high	44 Å²	44	46.4 Å²	46.4	24%	0.235	22%	0.224	C	C	.	.			trans	-106.7	108.3	177	-167.8	-34.7	0	0	0	111.8	Y558 E564 F565 R566	Y558-N562 WeakPolarHBondContact O-CA 3.43Å; Y558-N562 VanDerWaalsContact O-CB 3.23Å; Y558-N562 WeakPolarHBondContact O-CB 3.31Å; Y558-N562 PolarHBondContact O-N 2.75Å; N562-E564 PolarHBondContact O-N 3.45Å; N562-E564 WeakPolarHBondContact OD1-CB 3.44Å; N562-E564 PolarHBondContact OD1-N 2Å; N562-F565 HydrophobicContact CB-CB 4.24Å; N562-F565 HydrophobicContact CB-CD2 4.06Å; N562-F565 WeakPolarHBondContact ND2-CD2 3.43Å; N562-F565 PolarHBondContact O-N 3.34Å; N562-F565 PolarHBondContact OD1-N 3.39Å; N562-R566 WeakPolarHBondContact O-CB 3.28Å; N562-R566 PolarHBondContact O-N 3.13Å
563	I	87.8	Confident	91.7	Very high	75 Å²	75	48.2 Å²	48.2	39%	0.385	23%	0.234	S	C	.	.	H	α-helix	trans	-59.9	-35.9	-177.6	-63.6	170.5	0	0	0	111.7	R566 K567	I563-R566 PolarHBondContact O-N 3.02Å; I563-K567 HydrophobicContact CG2-CD 4.38Å; I563-K567 WeakPolarHBondContact O-CG 3.35Å; I563-K567 PolarHBondContact O-N 2.92Å
564	E	89.3	Confident	91.5	Very high	50 Å²	50	48.9 Å²	48.9	23%	0.234	24%	0.239	C	C	.	.	H	α-helix	trans	-71	-45	-177.5	-58.8	-54.6	122.9	0	0	111	N61 L62 N562 R566 K567 A568	N61-E564 PolarHBondContact ND2-OE2 3.23Å; L62-E564 HydrophobicContact CD2-CB 3.7Å; N562-E564 PolarHBondContact O-N 3.45Å; N562-E564 WeakPolarHBondContact OD1-CB 3.44Å; N562-E564 PolarHBondContact OD1-N 2Å; E564-R566 VanDerWaalsContact C-N 3.34Å; E564-R566 PolarHBondContact O-N 3.21Å; E564-K567 PolarHBondContact O-N 2.92Å; E564-K567 IonicContact OE1-NZ 3.44Å; E564-K567 PolarHBondContact OE1-NZ 2.99Å; E564-A568 PolarHBondContact O-N 3.18Å
565	F	91.7	Very high	91.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.2	-39.9	171.9	-84.2	-74.3	0	0	0	112	V52 V56 L62 I70 N562 K567 A568 F569	V52-F565 HydrophobicContact CG1-CE1 4.11Å; V56-F565 HydrophobicContact CG2-CE1 3.95Å; V56-F565 HydrophobicContact CG2-CZ 3.95Å; L62-F565 HydrophobicContact CD1-CD1 4.1Å; L62-F565 HydrophobicContact CD1-CE1 4.15Å; L62-F565 HydrophobicContact CD2-CD2 4.37Å; L62-F565 HydrophobicContact CD2-CE2 4.33Å; L62-F565 HydrophobicContact CD2-CZ 4.48Å; I70-F565 HydrophobicContact CD1-CE2 3.84Å; I70-F565 HydrophobicContact CD1-CZ 4.26Å; I70-F565 HydrophobicContact CG2-CE2 4.38Å; I70-F565 HydrophobicContact CG2-CZ 3.89Å; N562-F565 HydrophobicContact CB-CB 4.24Å; N562-F565 HydrophobicContact CB-CD2 4.06Å; N562-F565 WeakPolarHBondContact ND2-CD2 3.43Å; N562-F565 PolarHBondContact O-N 3.34Å; N562-F565 PolarHBondContact OD1-N 3.39Å; F565-K567 VanDerWaalsContact C-N 3.34Å; F565-K567 PolarHBondContact O-N 3.44Å; F565-A568 PolarHBondContact O-N 2.84Å; F565-F569 HydrophobicContact CD1-CD1 4.49Å; F565-F569 AromaticContact CD1-CE1 3.89Å; F565-F569 HydrophobicContact CD1-CE1 3.89Å; F565-F569 WeakPolarHBondContact O-CB 3.35Å; F565-F569 WeakPolarHBondContact O-CD1 3.45Å; F565-F569 PolarHBondContact O-N 3.36Å
566	R	93.4	Very high	90.8	Very high	102 Å²	102	58.8 Å²	58.8	39%	0.385	28%	0.284	S	S	.	.	H	α-helix	trans	-59.3	-43.7	177	-166.9	-170	-60.5	172.9	0.1	112.2	T559 L560 N562 I563 E564 K570	T559-R566 WeakPolarHBondContact O-CB 3.49Å; T559-R566 WeakPolarHBondContact O-CG 3.24Å; T559-R566 PolarHBondContact O-NE 3.49Å; L560-R566 PolarHBondContact O-NH2 3.46Å; N562-R566 WeakPolarHBondContact O-CB 3.28Å; N562-R566 PolarHBondContact O-N 3.13Å; I563-R566 PolarHBondContact O-N 3.02Å; E564-R566 VanDerWaalsContact C-N 3.34Å; E564-R566 PolarHBondContact O-N 3.21Å; R566-K570 WeakPolarHBondContact O-CB 3.09Å; R566-K570 WeakPolarHBondContact O-CG 2.93Å; R566-K570 PolarHBondContact O-N 3.38Å
567	K	93.2	Very high	90.3	Very high	123 Å²	123	61 Å²	61	54%	0.535	30%	0.295	S	S	.	.	H	α-helix	trans	-63.9	-46	176	-72.9	172	-178.1	170.7	0	111	I563 E564 F565 F569 K570 A571	I563-K567 HydrophobicContact CG2-CD 4.38Å; I563-K567 WeakPolarHBondContact O-CG 3.35Å; I563-K567 PolarHBondContact O-N 2.92Å; E564-K567 PolarHBondContact O-N 2.92Å; E564-K567 IonicContact OE1-NZ 3.44Å; E564-K567 PolarHBondContact OE1-NZ 2.99Å; F565-K567 VanDerWaalsContact C-N 3.34Å; F565-K567 PolarHBondContact O-N 3.44Å; K567-F569 PolarHBondContact O-N 3.45Å; K567-K570 PolarHBondContact O-N 2.9Å; K567-A571 WeakPolarHBondContact O-CB 3.43Å; K567-A571 PolarHBondContact O-N 3.39Å
568	A	93.2	Very high	89.5	Confident	3 Å²	3	65.1 Å²	65.1	3%	0.025	31%	0.311	C	S	.	.	H	α-helix	trans	-59.1	-46.6	177.9	0	0	0	0	0	111.9	F59 L62 E564 F565 A571 L572	F59-A568 HydrophobicContact CD2-CB 3.51Å; F59-A568 HydrophobicContact CE2-CB 3.55Å; F59-A568 HydrophobicContact CG-CB 4.12Å; F59-A568 HydrophobicContact CZ-CB 4.18Å; L62-A568 HydrophobicContact CD1-CB 3.63Å; E564-A568 PolarHBondContact O-N 3.18Å; F565-A568 PolarHBondContact O-N 2.84Å; A568-A571 PolarHBondContact O-N 2.76Å; A568-L572 WeakPolarHBondContact O-CG 3.39Å; A568-L572 PolarHBondContact O-N 3.3Å
569	F	93.6	Very high	88.9	Confident	13 Å²	13	67.5 Å²	67.5	6%	0.057	33%	0.329	C	S	.	.	H	α-helix	trans	-63.6	-45.8	179.4	-82	39	0	0	0	111.3	L51 V52 S55 T559 F565 K567 A571 L572 L573	L51-F569 HydrophobicContact CB-CD1 4.4Å; L51-F569 HydrophobicContact CB-CD2 4.08Å; L51-F569 HydrophobicContact CB-CE1 4.02Å; L51-F569 HydrophobicContact CB-CE2 3.7Å; L51-F569 HydrophobicContact CB-CG 4.45Å; L51-F569 HydrophobicContact CB-CZ 3.66Å; L51-F569 HydrophobicContact CD1-CD2 3.93Å; L51-F569 HydrophobicContact CD1-CE2 4.08Å; V52-F569 HydrophobicContact CB-CZ 4.42Å; V52-F569 HydrophobicContact CG2-CE1 4.35Å; V52-F569 HydrophobicContact CG2-CZ 3.67Å; S55-F569 WeakPolarHBondContact OG-CD1 3.3Å; S55-F569 VanDerWaalsContact OG-CE1 3.26Å; S55-F569 WeakPolarHBondContact OG-CE1 3.39Å; T559-F569 HydrophobicContact CG2-CB 4.4Å; T559-F569 HydrophobicContact CG2-CD2 3.08Å; T559-F569 HydrophobicContact CG2-CE2 3.29Å; T559-F569 HydrophobicContact CG2-CG 3.84Å; T559-F569 HydrophobicContact CG2-CZ 4.2Å; F565-F569 HydrophobicContact CD1-CD1 4.49Å; F565-F569 AromaticContact CD1-CE1 3.89Å; F565-F569 HydrophobicContact CD1-CE1 3.89Å; F565-F569 WeakPolarHBondContact O-CB 3.35Å; F565-F569 WeakPolarHBondContact O-CD1 3.45Å; F565-F569 PolarHBondContact O-N 3.36Å; K567-F569 PolarHBondContact O-N 3.45Å; F569-A571 VanDerWaalsContact C-N 3.31Å; F569-A571 PolarHBondContact O-N 2.8Å; F569-L572 PolarHBondContact O-N 3.15Å; F569-L573 WeakPolarHBondContact O-CB 3.36Å; F569-L573 VanDerWaalsContact O-CG 3.28Å; F569-L573 WeakPolarHBondContact O-CG 3.18Å; F569-L573 PolarHBondContact O-N 3.44Å
570	K	93	Very high	87.7	Confident	133 Å²	133	67.7 Å²	67.7	58%	0.578	34%	0.338	S	S	*	.	H	α-helix	trans	-57.2	-45.9	174.3	-75.8	-178.3	177.8	-167.4	0	111.4	R566 K567 L573 L574	R566-K570 WeakPolarHBondContact O-CB 3.09Å; R566-K570 WeakPolarHBondContact O-CG 2.93Å; R566-K570 PolarHBondContact O-N 3.38Å; K567-K570 PolarHBondContact O-N 2.9Å; K570-L573 PolarHBondContact O-N 2.86Å; K570-L574 WeakPolarHBondContact O-CB 3.34Å; K570-L574 WeakPolarHBondContact O-CG 3.2Å; K570-L574 PolarHBondContact O-N 3.32Å
571	A	91.9	Very high	86.1	Confident	30 Å²	30	71.5 Å²	71.5	25%	0.248	35%	0.346	C	S	.	.	H	α-helix	trans	-62.8	-42.5	177.8	0	0	0	0	0	112.1	F59 K567 A568 F569 I575	F59-A571 HydrophobicContact CE1-CB 4.17Å; F59-A571 HydrophobicContact CZ-CB 3.69Å; K567-A571 WeakPolarHBondContact O-CB 3.43Å; K567-A571 PolarHBondContact O-N 3.39Å; A568-A571 PolarHBondContact O-N 2.76Å; F569-A571 VanDerWaalsContact C-N 3.31Å; F569-A571 PolarHBondContact O-N 2.8Å; A571-I575 WeakPolarHBondContact O-CB 3.27Å; A571-I575 WeakPolarHBondContact O-CD1 3.26Å; A571-I575 WeakPolarHBondContact O-CG1 3.38Å; A571-I575 PolarHBondContact O-N 3.18Å
572	L	92.2	Very high	84.4	Confident	16 Å²	16	70.7 Å²	70.7	8%	0.084	35%	0.349	C	S	.	.	H	α-helix	trans	-64.2	-45.8	176.5	-70.9	176.5	0	0	0	112.6	L51 V54 S55 K58 F59 A568 F569 I575 F576	L51-L572 HydrophobicContact CD2-CB 4.12Å; L51-L572 HydrophobicContact CD2-CD1 4.11Å; V54-L572 HydrophobicContact CB-CD1 4.11Å; V54-L572 HydrophobicContact CG1-CD1 3.78Å; V54-L572 HydrophobicContact CG1-CD2 3.68Å; V54-L572 HydrophobicContact CG1-CG 4.41Å; S55-L572 VanDerWaalsContact OG-CD1 3.26Å; S55-L572 WeakPolarHBondContact OG-CD1 3.46Å; K58-L572 HydrophobicContact CD-CD2 3.62Å; F59-L572 HydrophobicContact CE2-CD1 4.43Å; F59-L572 HydrophobicContact CE2-CD2 4.21Å; F59-L572 HydrophobicContact CE2-CG 4.01Å; A568-L572 WeakPolarHBondContact O-CG 3.39Å; A568-L572 PolarHBondContact O-N 3.3Å; F569-L572 PolarHBondContact O-N 3.15Å; L572-I575 PolarHBondContact O-N 3.46Å; L572-F576 PolarHBondContact O-N 2.94Å
573	L	90.9	Very high	82.7	Confident	66 Å²	66	76.5 Å²	76.5	35%	0.346	37%	0.373	S	S	.	.	H	α-helix	trans	-63.8	-42.6	178.2	-68	172.8	0	0	0	111.5	F47 L51 F569 K570 I575 F576 L577	F47-L573 HydrophobicContact CE2-CD2 4.33Å; F47-L573 HydrophobicContact CZ-CD2 3.76Å; L51-L573 HydrophobicContact CD1-CD2 4.35Å; F569-L573 WeakPolarHBondContact O-CB 3.36Å; F569-L573 VanDerWaalsContact O-CG 3.28Å; F569-L573 WeakPolarHBondContact O-CG 3.18Å; F569-L573 PolarHBondContact O-N 3.44Å; K570-L573 PolarHBondContact O-N 2.86Å; L573-I575 PolarHBondContact O-N 3.07Å; L573-F576 PolarHBondContact O-N 3.37Å; L573-L577 WeakPolarHBondContact O-CB 3.25Å; L573-L577 VanDerWaalsContact O-CG 3.25Å; L573-L577 WeakPolarHBondContact O-CG 3.17Å; L573-L577 PolarHBondContact O-N 3.5Å
574	L	90.8	Very high	81.1	Confident	73 Å²	73	77 Å²	77	38%	0.382	38%	0.382	S	S	.	.	H	α-helix	trans	-60.9	-45.4	174	-70.9	172	0	0	0	110.9	K570 F576 L577 Y578	K570-L574 WeakPolarHBondContact O-CB 3.34Å; K570-L574 WeakPolarHBondContact O-CG 3.2Å; K570-L574 PolarHBondContact O-N 3.32Å; L574-F576 VanDerWaalsContact C-N 3.29Å; L574-F576 PolarHBondContact O-N 3.28Å; L574-L577 PolarHBondContact O-N 3.27Å; L574-Y578 HydrophobicContact CB-CD2 4.2Å; L574-Y578 HydrophobicContact CB-CE2 4.29Å; L574-Y578 HydrophobicContact CD2-CE2 4.02Å; L574-Y578 WeakPolarHBondContact O-CB 3.47Å; L574-Y578 WeakPolarHBondContact O-CD2 3.43Å; L574-Y578 PolarHBondContact O-N 2.79Å
575	I	88	Confident	79.3	Confident	53 Å²	53	80 Å²	80	27%	0.272	40%	0.404	S	S	.	.	H	α-helix	trans	-59.4	-42	176.7	-70.4	165.4	0	0	0	111	L428 A571 L572 L573 S579	L428-I575 HydrophobicContact CD2-CG1 4.21Å; A571-I575 WeakPolarHBondContact O-CB 3.27Å; A571-I575 WeakPolarHBondContact O-CD1 3.26Å; A571-I575 WeakPolarHBondContact O-CG1 3.38Å; A571-I575 PolarHBondContact O-N 3.18Å; L572-I575 PolarHBondContact O-N 3.46Å; L573-I575 PolarHBondContact O-N 3.07Å; I575-S579 WeakPolarHBondContact O-CB 3.33Å; I575-S579 PolarHBondContact O-N 3.43Å; I575-S579 PolarHBondContact O-OG 3.41Å
576	F	84.4	Confident	77.2	Confident	161 Å²	161	90.8 Å²	90.8	71%	0.706	45%	0.445	S	S	*	.	H	α-helix	trans	-63.6	-49.8	177.5	-177.1	-97.3	0	0	0	111.8	L572 L573 L574 Y578 S579 G580	L572-F576 PolarHBondContact O-N 2.94Å; L573-F576 PolarHBondContact O-N 3.37Å; L574-F576 VanDerWaalsContact C-N 3.29Å; L574-F576 PolarHBondContact O-N 3.28Å; F576-Y578 PolarHBondContact O-N 2.94Å; F576-S579 PolarHBondContact O-N 2.91Å; F576-G580 PolarHBondContact O-N 3.06Å; F576-G580 VanDerWaalsContact O-N 3.13Å
577	L	83.7	Confident	74.8	Confident	116 Å²	116	97.4 Å²	97.4	61%	0.607	48%	0.476	S	S	*	.	H	α-helix	trans	-61.1	-42.6	178.5	-68.1	171.9	0	0	0	112.1	L573 L574 R581	L573-L577 WeakPolarHBondContact O-CB 3.25Å; L573-L577 VanDerWaalsContact O-CG 3.25Å; L573-L577 WeakPolarHBondContact O-CG 3.17Å; L573-L577 PolarHBondContact O-N 3.5Å; L574-L577 PolarHBondContact O-N 3.27Å; L577-R581 PolarHBondContact O-N 3.48Å
578	Y	78.6	Confident	73.8	Confident	96 Å²	96	96.1 Å²	96.1	38%	0.376	47%	0.473	S	S	.	.	H	α-helix	trans	-74.6	-34.4	179.8	-78.5	-62.4	0	0	0	113.4	L424 L574 F576 G580 R581 S582	L424-Y578 HydrophobicContact CD1-CD1 3.59Å; L424-Y578 HydrophobicContact CD1-CE1 4.39Å; L424-Y578 HydrophobicContact CD1-CG 4.09Å; L574-Y578 HydrophobicContact CB-CD2 4.2Å; L574-Y578 HydrophobicContact CB-CE2 4.29Å; L574-Y578 HydrophobicContact CD2-CE2 4.02Å; L574-Y578 WeakPolarHBondContact O-CB 3.47Å; L574-Y578 WeakPolarHBondContact O-CD2 3.43Å; L574-Y578 PolarHBondContact O-N 2.79Å; F576-Y578 PolarHBondContact O-N 2.94Å; Y578-G580 VanDerWaalsContact C-N 3.28Å; Y578-G580 PolarHBondContact O-N 3.37Å; Y578-R581 PolarHBondContact O-N 3.45Å; Y578-S582 PolarHBondContact O-N 2.9Å; Y578-S582 VanDerWaalsContact O-N 3.11Å
579	S	77.1	Confident	72.8	Confident	60 Å²	60	101 Å²	101	42%	0.42	50%	0.497	S	S	.	.	H	α-helix	trans	-65.4	-33.9	174.8	-61.2	0	0	0	0	111.7	I575 F576	I575-S579 WeakPolarHBondContact O-CB 3.33Å; I575-S579 PolarHBondContact O-N 3.43Å; I575-S579 PolarHBondContact O-OG 3.41Å; F576-S579 PolarHBondContact O-N 2.91Å
580	G	62.6	Low	71.7	Confident	41 Å²	41	105.9 Å²	105.9	42%	0.423	52%	0.521	S	S	.	.	H	α-helix	trans	-64.1	-44.1	171	0	0	0	0	0	112.8	F576 Y578 S582 K583 S584	F576-G580 PolarHBondContact O-N 3.06Å; F576-G580 VanDerWaalsContact O-N 3.13Å; Y578-G580 VanDerWaalsContact C-N 3.28Å; Y578-G580 PolarHBondContact O-N 3.37Å; G580-S582 PolarHBondContact O-N 3.4Å; G580-K583 PolarHBondContact O-N 3.4Å; G580-S584 PolarHBondContact O-N 3.23Å
581	R	55.9	Low	70.4	Confident	175 Å²	175	104.3 Å²	104.3	66%	0.66	52%	0.518	S	S	*	.	H	α-helix	trans	-66.8	-34.3	-179.2	-158.7	171.7	-174.1	165.6	1.7	113.2	L577 Y578 K583 S584 V585	L577-R581 PolarHBondContact O-N 3.48Å; Y578-R581 PolarHBondContact O-N 3.45Å; R581-K583 VanDerWaalsContact C-N 3.28Å; R581-K583 PolarHBondContact O-N 3.46Å; R581-S584 PolarHBondContact O-N 3.34Å; R581-V585 WeakPolarHBondContact O-CG2 3.43Å; R581-V585 PolarHBondContact O-N 3.36Å; R581-V585 VanDerWaalsContact O-N 3.14Å
582	S	54.3	Low	69.1	Low	54 Å²	54	108.9 Å²	108.9	38%	0.378	54%	0.535	S	S	.	.	H	α-helix	trans	-61.8	-35	174.2	-161.8	0	0	0	0	112.8	Y578 G580	Y578-S582 PolarHBondContact O-N 2.9Å; Y578-S582 VanDerWaalsContact O-N 3.11Å; G580-S582 PolarHBondContact O-N 3.4Å
583	K	51.7	Low	67.5	Low	167 Å²	167	115.1 Å²	115.1	73%	0.726	57%	0.565	S	S	*	*	H	α-helix	trans	-73.9	-33.2	175.7	-69.2	-174.1	179.6	-179.1	0	112.2	G580 R581 R586	G580-K583 PolarHBondContact O-N 3.4Å; R581-K583 VanDerWaalsContact C-N 3.28Å; R581-K583 PolarHBondContact O-N 3.46Å; K583-R586 PolarHBondContact O-N 2.99Å
584	S	53	Low	65.9	Low	84 Å²	84	118.6 Å²	118.6	59%	0.587	58%	0.581	S	S	*	*	H	α-helix	trans	-75	-21.1	178.3	-174	0	0	0	0	114.4	G580 R581	G580-S584 PolarHBondContact O-N 3.23Å; R581-S584 PolarHBondContact O-N 3.34Å
585	V	53	Low	63.9	Low	114 Å²	114	122.2 Å²	122.2	69%	0.691	60%	0.596	S	S	*	*	S	Bend	trans	-89	-11	175.5	178	0	0	0	0	111.7	R581	R581-V585 WeakPolarHBondContact O-CG2 3.43Å; R581-V585 PolarHBondContact O-N 3.36Å; R581-V585 VanDerWaalsContact O-N 3.14Å
586	R	47	Very low	61.9	Low	227 Å²	227	127.9 Å²	127.9	86%	0.857	62%	0.623	S	S	*	*			trans	-94.5	-11.1	174.7	-88.7	-171.1	-174.6	179.2	-0.2	114.3	K583	K583-R586 PolarHBondContact O-N 2.99Å
587	K	41.9	Very low	59.9	Low	240 Å²	240	124.9 Å²	124.9	100%	1.043	62%	0.615	S	S	*	*			trans	-93.2	0	163	-73.5	-171.3	174.7	-171.7	0	107.1

Retrieved 587 of 587 residues in 326.6 ms (Link to these results)

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