A0A077ZNT3_TRITR Loading...

Apoptotic protease-activating factor 1

AlphaFold DB , UniProt , Accession A0A077ZNT3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 221 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.3	Very low	44.3	Very low	218 Å²	218	145 Å²	145	100%	1.074	70%	0.702	S	S	*	*				0	79	0	-159.6	-177.7	-81.2	0	0	108.5	H3	M1-H3 PolarHBondContact O-N 3.02Å
2	I	36.7	Very low	43.6	Very low	154 Å²	154	148.8 Å²	148.8	79%	0.79	71%	0.712	S	S	*	*			trans	-77.5	109.4	-176.8	-61	173.2	0	0	0	107.5	T4	I2-T4 PolarHBondContact O-N 2.79Å
3	H	36.9	Very low	43.1	Very low	146 Å²	146	147.9 Å²	147.9	68%	0.676	72%	0.722	S	S	*	*			trans	-65.6	96.5	173.8	-84.3	53.8	0	0	0	109.2	M1 H5	M1-H3 PolarHBondContact O-N 3.02Å; H3-H5 PolarHBondContact O-N 2.94Å
4	T	41.1	Very low	42.7	Very low	120 Å²	120	143.7 Å²	143.7	74%	0.736	72%	0.715	S	S	*	*			trans	-69.1	85.3	163	26.6	0	0	0	0	107.9	I2 N6	I2-T4 PolarHBondContact O-N 2.79Å; T4-N6 PolarHBondContact O-N 2.7Å
5	H	50.2	Low	42.5	Very low	148 Å²	148	147.7 Å²	147.7	69%	0.685	73%	0.731	S	S	*	*			trans	-56.1	108.7	169.1	-118	-79.5	0	0	0	108.1	H3 L7	H3-H5 PolarHBondContact O-N 2.94Å; H5-L7 VanDerWaalsContact C-N 3.32Å; H5-L7 PolarHBondContact O-N 3.13Å
6	N	50	Low	41.9	Very low	103 Å²	103	150.1 Å²	150.1	55%	0.551	73%	0.73	S	S	*	*			trans	-74.5	89	179.2	-160.4	-21.5	0	0	0	107.6	T4 N8 K9	T4-N6 PolarHBondContact O-N 2.7Å; N6-N8 PolarHBondContact O-N 2.87Å; N6-K9 PolarHBondContact O-N 3.29Å
7	L	55.9	Low	42.1	Very low	46 Å²	46	152.5 Å²	152.5	24%	0.241	74%	0.736	C	S	.	*	G	3₁₀ helix	trans	-57.4	-14.6	-174.2	-70.5	167.4	0	0	0	113.4	H5 K9 L101	H5-L7 VanDerWaalsContact C-N 3.32Å; H5-L7 PolarHBondContact O-N 3.13Å; L7-K9 PolarHBondContact O-N 3.22Å; L7-L101 HydrophobicContact CD1-CD2 4.18Å; L7-L101 HydrophobicContact CD2-CD2 4.37Å
8	N	51.1	Low	42.4	Very low	112 Å²	112	150.9 Å²	150.9	60%	0.599	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-72.2	-6.5	178.4	-66.7	-1	0	0	0	114.2	N6	N6-N8 PolarHBondContact O-N 2.87Å
9	K	48.3	Very low	43	Very low	172 Å²	172	149.3 Å²	149.3	75%	0.748	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-98.3	0.2	-176.3	-75.7	-171.3	176.5	-177.4	0	115.8	N6 L7 R11	N6-K9 PolarHBondContact O-N 3.29Å; L7-K9 PolarHBondContact O-N 3.22Å; K9-R11 PolarHBondContact O-N 2.98Å
10	I	48.5	Very low	44.3	Very low	151 Å²	151	144.3 Å²	144.3	77%	0.774	70%	0.702	S	S	*	*			trans	-74.5	100.1	175.5	-57.8	175.8	0	0	0	108.1
11	R	35.2	Very low	45.6	Very low	225 Å²	225	141.2 Å²	141.2	85%	0.849	69%	0.685	S	S	*	*			trans	-110.8	115.2	-171.7	-146.8	178.5	173.2	-167.4	-3.8	110.9	K9	K9-R11 PolarHBondContact O-N 2.98Å
12	K	35.7	Very low	47.4	Very low	190 Å²	190	132.3 Å²	132.3	83%	0.826	64%	0.642	S	S	*	*			trans	48.2	104.8	155.1	-69.9	-171.3	174.2	-172.8	0	119.9
13	V	38	Very low	49.1	Very low	138 Å²	138	128.6 Å²	128.6	84%	0.836	62%	0.621	S	S	*	*			trans	-142.2	132.6	136.9	-177.8	0	0	0	0	108.2
14	S	37.3	Very low	50.9	Low	89 Å²	89	123.6 Å²	123.6	62%	0.622	61%	0.606	S	S	*	*	S	Bend	trans	73.7	156.6	169.7	92.1	0	0	0	0	118.7	Y16	S14-Y16 PolarHBondContact O-N 3.24Å
15	Q	39.7	Very low	52.6	Low	204 Å²	204	118.2 Å²	118.2	95%	0.953	57%	0.573	S	S	*	*			trans	-69.1	46.1	-158.7	-68.3	162.3	-38.1	0	0	115.6
16	Y	32.5	Very low	53.9	Low	185 Å²	185	113.5 Å²	113.5	73%	0.725	55%	0.553	S	S	*	*			trans	-87.4	130.3	176.7	-84.1	-89	0	0	0	111.5	S14 Y18	S14-Y16 PolarHBondContact O-N 3.24Å; Y16-Y18 PolarHBondContact O-N 3.25Å
17	K	45.3	Very low	55.2	Low	191 Å²	191	111.9 Å²	111.9	83%	0.83	54%	0.544	S	S	*	.	S	Bend	trans	-67.4	11.2	-173.6	-164.6	177.8	171.8	-176	0	114.9
18	Y	47.3	Very low	56.2	Low	125 Å²	125	112.1 Å²	112.1	49%	0.49	55%	0.549	S	S	.	.			trans	-126.4	134.6	-166.3	-52.5	-67.1	0	0	0	112.8	Y16 L27	Y16-Y18 PolarHBondContact O-N 3.25Å; Y18-L27 HydrophobicContact CD1-CD1 3.51Å; Y18-L27 HydrophobicContact CE1-CD1 3.27Å
19	T	53.8	Low	57.7	Low	120 Å²	120	107 Å²	107	74%	0.736	52%	0.522	S	S	*	.	S	Bend	trans	-87	-24.6	-171.6	6.6	0	0	0	0	112.9	E23	T19-E23 WeakPolarHBondContact CA-OE2 3.38Å; T19-E23 WeakPolarHBondContact CB-OE2 3.42Å; T19-E23 PolarHBondContact N-OE2 3.33Å; T19-E23 VanDerWaalsContact OG1-CD 3.31Å; T19-E23 PolarHBondContact OG1-OE1 3.38Å; T19-E23 VanDerWaalsContact OG1-OE1 3.13Å; T19-E23 PolarHBondContact OG1-OE2 3.19Å
20	T	69.3	Low	59.3	Low	49 Å²	49	103 Å²	103	30%	0.301	51%	0.508	S	S	.	.			trans	-149.6	157.5	173.2	62.8	0	0	0	0	113.4	N22 E23 A24	T20-N22 PolarHBondContact O-N 3.24Å; T20-E23 PolarHBondContact N-OE2 3.44Å; T20-E23 WeakPolarHBondContact O-CB 3.5Å; T20-E23 PolarHBondContact O-N 3.41Å; T20-A24 PolarHBondContact O-N 3.27Å
21	F	71.7	Confident	61	Low	79 Å²	79	102.2 Å²	102.2	35%	0.346	51%	0.506	S	S	.	.	H	α-helix	trans	-55.7	-35.1	173.4	173.3	-88.9	0	0	0	112.5	E23 A24 A25 L101 V105	F21-E23 VanDerWaalsContact C-N 3.31Å; F21-E23 PolarHBondContact O-N 3.43Å; F21-A24 PolarHBondContact O-N 2.87Å; F21-A25 HydrophobicContact CD1-CB 4.48Å; F21-A25 HydrophobicContact CE1-CB 4.06Å; F21-A25 HydrophobicContact CZ-CB 4.45Å; F21-A25 WeakPolarHBondContact O-CB 3.4Å; F21-A25 PolarHBondContact O-N 2.9Å; F21-L101 HydrophobicContact CE1-CB 3.57Å; F21-L101 HydrophobicContact CE1-CD1 4.2Å; F21-L101 HydrophobicContact CE1-CG 4.42Å; F21-L101 HydrophobicContact CE2-CD1 3.93Å; F21-L101 HydrophobicContact CZ-CB 3.48Å; F21-L101 VanDerWaalsContact CZ-CB 3.48Å; F21-L101 HydrophobicContact CZ-CD1 3.66Å; F21-L101 HydrophobicContact CZ-CG 4.21Å; F21-V105 HydrophobicContact CD1-CG2 4.35Å; F21-V105 HydrophobicContact CE1-CG2 4.12Å
22	N	72.1	Confident	63.6	Low	32 Å²	32	91.9 Å²	91.9	17%	0.171	47%	0.468	C	S	.	.	H	α-helix	trans	-63.2	-39	-179.6	-64.3	-9.5	0	0	0	111.7	T20 A25 L26 V105	T20-N22 PolarHBondContact O-N 3.24Å; N22-A25 PolarHBondContact O-N 3.16Å; N22-L26 WeakPolarHBondContact O-CB 3.2Å; N22-L26 WeakPolarHBondContact O-CG 3.37Å; N22-L26 PolarHBondContact O-N 2.82Å; N22-V105 HydrophobicContact CB-CG2 4.38Å; N22-V105 WeakPolarHBondContact OD1-CG2 3.32Å
23	E	72.2	Confident	66.3	Low	75 Å²	75	85.6 Å²	85.6	35%	0.35	45%	0.448	S	S	.	.	H	α-helix	trans	-63.7	-46.8	174.7	-70.2	162.4	-163.4	0	0	110.7	T19 T20 F21 A25 L26 L27	T19-E23 WeakPolarHBondContact CA-OE2 3.38Å; T19-E23 WeakPolarHBondContact CB-OE2 3.42Å; T19-E23 PolarHBondContact N-OE2 3.33Å; T19-E23 VanDerWaalsContact OG1-CD 3.31Å; T19-E23 PolarHBondContact OG1-OE1 3.38Å; T19-E23 VanDerWaalsContact OG1-OE1 3.13Å; T19-E23 PolarHBondContact OG1-OE2 3.19Å; T20-E23 PolarHBondContact N-OE2 3.44Å; T20-E23 WeakPolarHBondContact O-CB 3.5Å; T20-E23 PolarHBondContact O-N 3.41Å; F21-E23 VanDerWaalsContact C-N 3.31Å; F21-E23 PolarHBondContact O-N 3.43Å; E23-A25 VanDerWaalsContact C-N 3.32Å; E23-A25 PolarHBondContact O-N 2.95Å; E23-L26 PolarHBondContact O-N 2.95Å; E23-L27 VanDerWaalsContact O-CB 3.32Å; E23-L27 WeakPolarHBondContact O-CB 3.4Å; E23-L27 WeakPolarHBondContact O-CD1 3.48Å; E23-L27 WeakPolarHBondContact O-CG 3.41Å; E23-L27 PolarHBondContact O-N 2.61Å
24	A	74.9	Confident	68.9	Low	42 Å²	42	85.8 Å²	85.8	35%	0.347	44%	0.439	S	S	.	.	H	α-helix	trans	-62.1	-40.1	177.8	0	0	0	0	0	112.3	T20 F21 S28	T20-A24 PolarHBondContact O-N 3.27Å; F21-A24 PolarHBondContact O-N 2.87Å; A24-S28 PolarHBondContact O-N 2.9Å; A24-S28 VanDerWaalsContact O-N 3.16Å
25	A	76.4	Confident	71.6	Confident	6 Å²	6	85.2 Å²	85.2	5%	0.05	44%	0.435	C	S	.	.	H	α-helix	trans	-64.4	-44.1	175.1	0	0	0	0	0	112.2	F21 N22 E23 S28 L102 V105	F21-A25 HydrophobicContact CD1-CB 4.48Å; F21-A25 HydrophobicContact CE1-CB 4.06Å; F21-A25 HydrophobicContact CZ-CB 4.45Å; F21-A25 WeakPolarHBondContact O-CB 3.4Å; F21-A25 PolarHBondContact O-N 2.9Å; N22-A25 PolarHBondContact O-N 3.16Å; E23-A25 VanDerWaalsContact C-N 3.32Å; E23-A25 PolarHBondContact O-N 2.95Å; A25-S28 WeakPolarHBondContact O-CB 3.34Å; A25-S28 PolarHBondContact O-N 3.3Å; A25-S28 PolarHBondContact O-OG 3.03Å; A25-L102 HydrophobicContact CB-CD2 3.64Å; A25-V105 HydrophobicContact CB-CB 4.36Å; A25-V105 HydrophobicContact CB-CG1 4.16Å; A25-V105 HydrophobicContact CB-CG2 3.98Å
26	L	76.9	Confident	74.3	Confident	49 Å²	49	77 Å²	77	26%	0.257	40%	0.398	S	S	.	.	H	α-helix	trans	-68.4	-38	177.2	-75.9	176.8	0	0	0	112.4	N22 E23 S28 L29 D30 F41 V105	N22-L26 WeakPolarHBondContact O-CB 3.2Å; N22-L26 WeakPolarHBondContact O-CG 3.37Å; N22-L26 PolarHBondContact O-N 2.82Å; E23-L26 PolarHBondContact O-N 2.95Å; L26-S28 PolarHBondContact O-N 3.4Å; L26-L29 HydrophobicContact CD2-CD1 4.11Å; L26-L29 WeakPolarHBondContact O-CA 3.39Å; L26-L29 VanDerWaalsContact O-CB 3.24Å; L26-L29 WeakPolarHBondContact O-CB 3.24Å; L26-L29 PolarHBondContact O-N 3.46Å; L26-D30 PolarHBondContact O-N 2.95Å; L26-F41 HydrophobicContact CD2-CE1 4.45Å; L26-F41 HydrophobicContact CD2-CZ 4Å; L26-V105 HydrophobicContact CD2-CG1 3.95Å; L26-V105 HydrophobicContact CG-CG1 3.87Å
27	L	77.5	Confident	77.2	Confident	70 Å²	70	69.8 Å²	69.8	37%	0.366	37%	0.37	S	S	.	.	H	α-helix	trans	-61.6	-31.2	174.7	-76.8	161.7	0	0	0	112	Y18 E23 L29 D30	Y18-L27 HydrophobicContact CD1-CD1 3.51Å; Y18-L27 HydrophobicContact CE1-CD1 3.27Å; E23-L27 VanDerWaalsContact O-CB 3.32Å; E23-L27 WeakPolarHBondContact O-CB 3.4Å; E23-L27 WeakPolarHBondContact O-CD1 3.48Å; E23-L27 WeakPolarHBondContact O-CG 3.41Å; E23-L27 PolarHBondContact O-N 2.61Å; L27-L29 PolarHBondContact O-N 3.12Å; L27-L29 VanDerWaalsContact O-N 3.12Å; L27-D30 WeakPolarHBondContact CD2-OD2 3.41Å; L27-D30 PolarHBondContact O-N 2.93Å
28	S	77.1	Confident	79.6	Confident	51 Å²	51	67 Å²	67	36%	0.357	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-14.9	173.1	78.9	0	0	0	0	113.5	A24 A25 L26 L80	A24-S28 PolarHBondContact O-N 2.9Å; A24-S28 VanDerWaalsContact O-N 3.16Å; A25-S28 WeakPolarHBondContact O-CB 3.34Å; A25-S28 PolarHBondContact O-N 3.3Å; A25-S28 PolarHBondContact O-OG 3.03Å; L26-S28 PolarHBondContact O-N 3.4Å; S28-L80 WeakPolarHBondContact OG-CD2 3.27Å
29	L	82.8	Confident	81.9	Confident	3 Å²	3	62 Å²	62	2%	0.016	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-11.4	175	-52.3	176.7	0	0	0	113	L26 L27 D31 L32 K37 Y40 F41 L80	L26-L29 HydrophobicContact CD2-CD1 4.11Å; L26-L29 WeakPolarHBondContact O-CA 3.39Å; L26-L29 VanDerWaalsContact O-CB 3.24Å; L26-L29 WeakPolarHBondContact O-CB 3.24Å; L26-L29 PolarHBondContact O-N 3.46Å; L27-L29 PolarHBondContact O-N 3.12Å; L27-L29 VanDerWaalsContact O-N 3.12Å; L29-D31 VanDerWaalsContact C-N 3.31Å; L29-D31 PolarHBondContact O-N 3.13Å; L29-L32 HydrophobicContact CB-CD1 4.26Å; L29-L32 HydrophobicContact CD2-CD1 3.87Å; L29-L32 VanDerWaalsContact O-CB 3.29Å; L29-L32 WeakPolarHBondContact O-CB 3.42Å; L29-L32 PolarHBondContact O-N 2.84Å; L29-L32 VanDerWaalsContact O-N 3.14Å; L29-K37 WeakPolarHBondContact O-CE 3.39Å; L29-Y40 HydrophobicContact CD1-CD1 3.92Å; L29-Y40 HydrophobicContact CD1-CE1 4.08Å; L29-Y40 HydrophobicContact CD2-CD1 3.44Å; L29-Y40 VanDerWaalsContact CD2-CD1 3.44Å; L29-Y40 HydrophobicContact CD2-CE1 3.5Å; L29-Y40 HydrophobicContact CD2-CG 4.15Å; L29-Y40 HydrophobicContact CG-CD1 4.35Å; L29-Y40 HydrophobicContact CG-CE1 4.42Å; L29-F41 HydrophobicContact CD1-CE1 4.48Å; L29-F41 HydrophobicContact CD1-CE2 4.18Å; L29-F41 HydrophobicContact CD1-CZ 3.89Å; L29-L80 HydrophobicContact CD2-CD1 3.65Å; L29-L80 HydrophobicContact CD2-CD2 3.55Å; L29-L80 HydrophobicContact CD2-CG 4.23Å
30	D	82.2	Confident	83.9	Confident	88 Å²	88	56.4 Å²	56.4	47%	0.471	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-25.7	-172.1	-79.4	-17.9	0	0	0	113.7	L26 L27 L32 K37	L26-D30 PolarHBondContact O-N 2.95Å; L27-D30 WeakPolarHBondContact CD2-OD2 3.41Å; L27-D30 PolarHBondContact O-N 2.93Å; D30-L32 PolarHBondContact O-N 3.06Å; D30-K37 IonicContact OD1-NZ 2.84Å; D30-K37 PolarHBondContact OD1-NZ 3.12Å
31	D	84.4	Confident	85.1	Confident	136 Å²	136	55.7 Å²	55.7	73%	0.727	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	4.9	174.2	-63.2	-25.9	0	0	0	113.1	L29 R78	L29-D31 VanDerWaalsContact C-N 3.31Å; L29-D31 PolarHBondContact O-N 3.13Å; D31-R78 PolarHBondContact O-NH1 2.67Å
32	L	89.6	Confident	86.3	Confident	8 Å²	8	52.4 Å²	52.4	4%	0.042	28%	0.284	C	S	.	.	S	Bend	trans	-83.1	144.9	171.3	-66.5	175.8	0	0	0	110	L29 D30 L36 K37 F75 L80	L29-L32 HydrophobicContact CB-CD1 4.26Å; L29-L32 HydrophobicContact CD2-CD1 3.87Å; L29-L32 VanDerWaalsContact O-CB 3.29Å; L29-L32 WeakPolarHBondContact O-CB 3.42Å; L29-L32 PolarHBondContact O-N 2.84Å; L29-L32 VanDerWaalsContact O-N 3.14Å; D30-L32 PolarHBondContact O-N 3.06Å; L32-L36 HydrophobicContact CB-CB 4.15Å; L32-L36 HydrophobicContact CD2-CB 4.12Å; L32-L36 HydrophobicContact CD2-CD1 4.16Å; L32-K37 HydrophobicContact CB-CB 4.25Å; L32-F75 HydrophobicContact CD1-CE1 4.32Å; L32-L80 HydrophobicContact CD1-CD1 3.78Å; L32-L80 HydrophobicContact CD2-CD1 4.34Å; L32-L80 HydrophobicContact CG-CD1 4.39Å
33	S	92.3	Very high	87.5	Confident	58 Å²	58	50.9 Å²	50.9	41%	0.406	28%	0.276	S	S	.	.			trans	-58.4	151.2	163.9	64.6	0	0	0	0	110	S35 L36 K37	S33-S35 PolarHBondContact O-N 3.34Å; S33-S35 VanDerWaalsContact O-N 3.1Å; S33-S35 PolarHBondContact OG-OG 3.31Å; S33-L36 PolarHBondContact O-N 2.87Å; S33-L36 WeakPolarHBondContact OG-CG 3.21Å; S33-L36 PolarHBondContact OG-N 3.49Å; S33-K37 WeakPolarHBondContact O-CB 3.41Å; S33-K37 PolarHBondContact O-N 2.96Å
34	E	92.1	Very high	88.5	Confident	141 Å²	141	47.4 Å²	47.4	66%	0.659	26%	0.26	S	S	*	.	H	α-helix	trans	-55.6	-31.7	177.4	-70.7	-57.7	130.4	0	0	112.7	K38	E34-K38 WeakPolarHBondContact O-CB 3.09Å; E34-K38 PolarHBondContact O-N 2.91Å
35	S	94.3	Very high	89.6	Confident	77 Å²	77	45.4 Å²	45.4	54%	0.538	24%	0.244	S	C	.	.	H	α-helix	trans	-63.2	-50.4	172.9	55.5	0	0	0	0	112.6	S33 K38 L39	S33-S35 PolarHBondContact O-N 3.34Å; S33-S35 VanDerWaalsContact O-N 3.1Å; S33-S35 PolarHBondContact OG-OG 3.31Å; S35-K38 PolarHBondContact O-N 3.43Å; S35-L39 WeakPolarHBondContact O-CG 3.47Å; S35-L39 PolarHBondContact O-N 2.75Å; S35-L39 VanDerWaalsContact O-N 3.13Å
36	L	95.5	Very high	90.6	Very high	31 Å²	31	45.1 Å²	45.1	16%	0.162	24%	0.241	C	C	.	.	H	α-helix	trans	-68.1	-38.3	179	-74	176.2	0	0	0	111.6	L32 S33 K38 L39 Y40 I71 E74 F75	L32-L36 HydrophobicContact CB-CB 4.15Å; L32-L36 HydrophobicContact CD2-CB 4.12Å; L32-L36 HydrophobicContact CD2-CD1 4.16Å; S33-L36 PolarHBondContact O-N 2.87Å; S33-L36 WeakPolarHBondContact OG-CG 3.21Å; S33-L36 PolarHBondContact OG-N 3.49Å; L36-K38 VanDerWaalsContact C-N 3.33Å; L36-K38 PolarHBondContact O-N 3.04Å; L36-L39 PolarHBondContact O-N 3.34Å; L36-Y40 WeakPolarHBondContact O-CB 3.29Å; L36-Y40 PolarHBondContact O-N 3.14Å; L36-I71 HydrophobicContact CD2-CB 4.49Å; L36-I71 HydrophobicContact CD2-CG1 4.08Å; L36-I71 HydrophobicContact CD2-CG2 4.01Å; L36-E74 HydrophobicContact CD1-CG 4.12Å; L36-F75 HydrophobicContact CB-CE1 4.22Å; L36-F75 HydrophobicContact CD2-CE1 4.25Å; L36-F75 HydrophobicContact CD2-CZ 4.45Å; L36-F75 WeakPolarHBondContact O-CZ 3.43Å
37	K	94	Very high	91.4	Very high	34 Å²	34	43.8 Å²	43.8	15%	0.148	24%	0.235	C	C	.	.	H	α-helix	trans	-57.8	-47.5	174.8	-176.2	174	-90.9	179.4	0	110.1	L29 D30 L32 S33 L39 Y40 F41	L29-K37 WeakPolarHBondContact O-CE 3.39Å; D30-K37 IonicContact OD1-NZ 2.84Å; D30-K37 PolarHBondContact OD1-NZ 3.12Å; L32-K37 HydrophobicContact CB-CB 4.25Å; S33-K37 WeakPolarHBondContact O-CB 3.41Å; S33-K37 PolarHBondContact O-N 2.96Å; K37-L39 PolarHBondContact O-N 3.1Å; K37-Y40 PolarHBondContact O-N 2.98Å; K37-F41 HydrophobicContact CD-CE2 4.07Å; K37-F41 HydrophobicContact CG-CD2 3.68Å; K37-F41 HydrophobicContact CG-CE2 3.49Å; K37-F41 VanDerWaalsContact CG-CE2 3.49Å; K37-F41 WeakPolarHBondContact O-CD2 3.45Å; K37-F41 PolarHBondContact O-N 2.68Å
38	K	94.5	Very high	92.2	Very high	132 Å²	132	44 Å²	44	57%	0.574	24%	0.236	S	C	*	.	H	α-helix	trans	-57.7	-48.6	175.2	-177.1	-178.8	175.5	-173.8	0	112.5	E34 S35 L36 Y40 F41 D42	E34-K38 WeakPolarHBondContact O-CB 3.09Å; E34-K38 PolarHBondContact O-N 2.91Å; S35-K38 PolarHBondContact O-N 3.43Å; L36-K38 VanDerWaalsContact C-N 3.33Å; L36-K38 PolarHBondContact O-N 3.04Å; K38-Y40 VanDerWaalsContact C-N 3.33Å; K38-Y40 PolarHBondContact O-N 3.31Å; K38-F41 PolarHBondContact O-N 2.76Å; K38-D42 VanDerWaalsContact O-CG 3.25Å; K38-D42 PolarHBondContact O-N 3.33Å
39	L	97	Very high	92.9	Very high	21 Å²	21	44 Å²	44	11%	0.11	24%	0.244	C	C	.	.	H	α-helix	trans	-63.7	-37.6	179.1	-64.4	172.9	0	0	0	112.2	S35 L36 K37 D42 W61 M63 I71 F75	S35-L39 WeakPolarHBondContact O-CG 3.47Å; S35-L39 PolarHBondContact O-N 2.75Å; S35-L39 VanDerWaalsContact O-N 3.13Å; L36-L39 PolarHBondContact O-N 3.34Å; K37-L39 PolarHBondContact O-N 3.1Å; L39-D42 WeakPolarHBondContact O-CB 3.3Å; L39-D42 PolarHBondContact O-N 3Å; L39-W61 HydrophobicContact CB-CH2 4.36Å; L39-W61 HydrophobicContact CB-CZ2 3.97Å; L39-W61 HydrophobicContact CD2-CB 4.2Å; L39-W61 HydrophobicContact CD2-CD2 3.78Å; L39-W61 HydrophobicContact CD2-CE3 4.41Å; L39-W61 HydrophobicContact CD2-CG 3.65Å; L39-W61 VanDerWaalsContact O-CZ2 3.28Å; L39-W61 WeakPolarHBondContact O-CZ2 3.4Å; L39-M63 HydrophobicContact CD1-CE 4.34Å; L39-M63 HydrophobicContact CD1-SD 4.48Å; L39-I71 HydrophobicContact CD1-CD1 3.64Å; L39-I71 HydrophobicContact CD1-CG1 4.32Å; L39-I71 HydrophobicContact CD1-CG2 4.34Å; L39-F75 HydrophobicContact CB-CZ 4.29Å
40	Y	95.6	Very high	93.3	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-65.3	-43.2	174.8	-169.4	-104.6	0	0	0	111.7	L29 L36 K37 K38 D42 L43 F75 L80 V106	L29-Y40 HydrophobicContact CD1-CD1 3.92Å; L29-Y40 HydrophobicContact CD1-CE1 4.08Å; L29-Y40 HydrophobicContact CD2-CD1 3.44Å; L29-Y40 VanDerWaalsContact CD2-CD1 3.44Å; L29-Y40 HydrophobicContact CD2-CE1 3.5Å; L29-Y40 HydrophobicContact CD2-CG 4.15Å; L29-Y40 HydrophobicContact CG-CD1 4.35Å; L29-Y40 HydrophobicContact CG-CE1 4.42Å; L36-Y40 WeakPolarHBondContact O-CB 3.29Å; L36-Y40 PolarHBondContact O-N 3.14Å; K37-Y40 PolarHBondContact O-N 2.98Å; K38-Y40 VanDerWaalsContact C-N 3.33Å; K38-Y40 PolarHBondContact O-N 3.31Å; Y40-D42 VanDerWaalsContact C-N 3.29Å; Y40-D42 PolarHBondContact O-N 2.71Å; Y40-L43 HydrophobicContact CD2-CD1 3.89Å; Y40-L43 HydrophobicContact CE2-CD1 4.08Å; Y40-L43 WeakPolarHBondContact O-CB 3.34Å; Y40-L43 WeakPolarHBondContact O-CG 3.14Å; Y40-L43 PolarHBondContact O-N 3.39Å; Y40-L43 VanDerWaalsContact O-N 3.11Å; Y40-F75 HydrophobicContact CD2-CD1 4.15Å; Y40-F75 AromaticContact CD2-CD2 3.99Å; Y40-F75 HydrophobicContact CD2-CD2 3.99Å; Y40-F75 HydrophobicContact CD2-CE1 4.14Å; Y40-F75 AromaticContact CD2-CE2 3.96Å; Y40-F75 HydrophobicContact CD2-CE2 3.96Å; Y40-F75 HydrophobicContact CD2-CG 4.09Å; Y40-F75 HydrophobicContact CD2-CZ 4.05Å; Y40-F75 HydrophobicContact CG-CE1 4.46Å; Y40-F75 HydrophobicContact CG-CZ 4.36Å; Y40-L80 HydrophobicContact CD2-CB 4.26Å; Y40-L80 HydrophobicContact CD2-CD1 4.43Å; Y40-L80 HydrophobicContact CE2-CB 3.55Å; Y40-L80 HydrophobicContact CE2-CD1 4.41Å; Y40-L80 HydrophobicContact CE2-CG 4.47Å; Y40-L80 PolarHBondContact OH-O 2.79Å; Y40-V106 HydrophobicContact CD1-CG2 3.88Å; Y40-V106 HydrophobicContact CE1-CG2 3.43Å; Y40-V106 VanDerWaalsContact CE1-CG2 3.43Å
41	F	94.7	Very high	93.8	Very high	35 Å²	35	45.2 Å²	45.2	15%	0.154	24%	0.244	C	C	.	.	H	α-helix	trans	-65.6	-30.8	176.8	-85.7	-65.8	0	0	0	112.9	L26 L29 K37 K38 L43 A44 V106 N109 F110	L26-F41 HydrophobicContact CD2-CE1 4.45Å; L26-F41 HydrophobicContact CD2-CZ 4Å; L29-F41 HydrophobicContact CD1-CE1 4.48Å; L29-F41 HydrophobicContact CD1-CE2 4.18Å; L29-F41 HydrophobicContact CD1-CZ 3.89Å; K37-F41 HydrophobicContact CD-CE2 4.07Å; K37-F41 HydrophobicContact CG-CD2 3.68Å; K37-F41 HydrophobicContact CG-CE2 3.49Å; K37-F41 VanDerWaalsContact CG-CE2 3.49Å; K37-F41 WeakPolarHBondContact O-CD2 3.45Å; K37-F41 PolarHBondContact O-N 2.68Å; K38-F41 PolarHBondContact O-N 2.76Å; F41-L43 PolarHBondContact O-N 3.3Å; F41-L43 VanDerWaalsContact O-N 3.15Å; F41-A44 WeakPolarHBondContact O-CB 3.42Å; F41-A44 PolarHBondContact O-N 2.85Å; F41-V106 HydrophobicContact CD1-CG1 3.99Å; F41-V106 HydrophobicContact CD1-CG2 4.45Å; F41-V106 HydrophobicContact CE1-CG2 4.44Å; F41-N109 HydrophobicContact CD1-CB 4.43Å; F41-N109 HydrophobicContact CE1-CB 3.77Å; F41-F110 HydrophobicContact CB-CE2 3.95Å; F41-F110 HydrophobicContact CB-CZ 3.79Å; F41-F110 AromaticContact CD1-CE2 3.84Å; F41-F110 HydrophobicContact CD1-CE2 3.84Å; F41-F110 HydrophobicContact CD1-CZ 4.29Å; F41-F110 HydrophobicContact CG-CE2 4.32Å; F41-F110 HydrophobicContact CG-CZ 4.36Å; F41-F110 WeakPolarHBondContact O-CE2 3.38Å
42	D	96.6	Very high	94.2	Very high	9 Å²	9	38.8 Å²	38.8	5%	0.048	21%	0.21	C	C	.	.	H	α-helix	trans	-57.9	-27.4	173	-71.7	-22.1	0	0	0	112.2	K38 L39 Y40 A44 V45 Y60 R121	K38-D42 VanDerWaalsContact O-CG 3.25Å; K38-D42 PolarHBondContact O-N 3.33Å; L39-D42 WeakPolarHBondContact O-CB 3.3Å; L39-D42 PolarHBondContact O-N 3Å; Y40-D42 VanDerWaalsContact C-N 3.29Å; Y40-D42 PolarHBondContact O-N 2.71Å; D42-A44 PolarHBondContact O-N 3.26Å; D42-V45 WeakPolarHBondContact O-CG1 3.33Å; D42-V45 PolarHBondContact O-N 3.05Å; D42-Y60 HydrophobicContact CB-CE1 3.72Å; D42-Y60 WeakPolarHBondContact O-CE1 3.38Å; D42-R121 IonicContact OD1-CZ 3.78Å; D42-R121 IonicContact OD1-NH1 2.7Å; D42-R121 IonicContact OD1-NH2 2.92Å; D42-R121 PolarHBondContact OD1-NH2 3.33Å; D42-R121 IonicContact OD2-CZ 2.69Å; D42-R121 IonicContact OD2-NH2 3.6Å; D42-R121 PolarHBondContact OD2-NH2 3.33Å
43	L	96.1	Very high	94.3	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-64.4	-9.5	175.6	-52.4	179.9	0	0	0	113.8	Y40 F41 V45 F46 I52 L57 W61 L81 I98 H103	Y40-L43 HydrophobicContact CD2-CD1 3.89Å; Y40-L43 HydrophobicContact CE2-CD1 4.08Å; Y40-L43 WeakPolarHBondContact O-CB 3.34Å; Y40-L43 WeakPolarHBondContact O-CG 3.14Å; Y40-L43 PolarHBondContact O-N 3.39Å; Y40-L43 VanDerWaalsContact O-N 3.11Å; F41-L43 PolarHBondContact O-N 3.3Å; F41-L43 VanDerWaalsContact O-N 3.15Å; L43-V45 PolarHBondContact O-N 3.1Å; L43-V45 VanDerWaalsContact O-N 3.1Å; L43-F46 HydrophobicContact CB-CD2 4.19Å; L43-F46 HydrophobicContact CD2-CD2 4.12Å; L43-F46 HydrophobicContact CD2-CE2 3.76Å; L43-F46 WeakPolarHBondContact O-CD2 3.39Å; L43-F46 PolarHBondContact O-N 3.29Å; L43-I52 HydrophobicContact CD1-CD1 4.4Å; L43-I52 HydrophobicContact CD2-CD1 4.37Å; L43-L57 HydrophobicContact CD2-CD1 4.46Å; L43-L57 HydrophobicContact CD2-CD2 3.77Å; L43-W61 HydrophobicContact CD2-CH2 4.23Å; L43-W61 HydrophobicContact CD2-CZ2 3.66Å; L43-W61 HydrophobicContact CG-CZ2 4.33Å; L43-L81 HydrophobicContact CD1-CD2 4.15Å; L43-I98 HydrophobicContact CB-CD1 3.62Å; L43-I98 HydrophobicContact CD1-CD1 3.94Å; L43-I98 HydrophobicContact CD1-CG1 4.12Å; L43-I98 HydrophobicContact CG-CD1 4.39Å; L43-H103 PolarHBondContact O-NE2 3.5Å
44	A	95	Very high	94.3	Very high	2 Å²	2	36.5 Å²	36.5	2%	0.017	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-56	-22.5	170.4	0	0	0	0	0	113.3	F41 D42 F46 V106 K107 F110 L118	F41-A44 WeakPolarHBondContact O-CB 3.42Å; F41-A44 PolarHBondContact O-N 2.85Å; D42-A44 PolarHBondContact O-N 3.26Å; A44-F46 VanDerWaalsContact C-N 3.35Å; A44-F46 PolarHBondContact O-N 2.89Å; A44-V106 HydrophobicContact CB-CG1 3.74Å; A44-K107 HydrophobicContact CB-CG 4.25Å; A44-K107 PolarHBondContact O-NZ 3.49Å; A44-F110 HydrophobicContact CB-CD2 3.75Å; A44-F110 HydrophobicContact CB-CE2 3.64Å; A44-L118 HydrophobicContact CB-CD1 4.15Å
45	V	96.6	Very high	94.4	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-66.6	-34.9	-178.1	78.4	0	0	0	0	112.4	D42 L43 Y60 L118 H119 F122 Y149	D42-V45 WeakPolarHBondContact O-CG1 3.33Å; D42-V45 PolarHBondContact O-N 3.05Å; L43-V45 PolarHBondContact O-N 3.1Å; L43-V45 VanDerWaalsContact O-N 3.1Å; V45-Y60 HydrophobicContact CB-CE1 4.5Å; V45-Y60 HydrophobicContact CG1-CD1 4.45Å; V45-Y60 HydrophobicContact CG1-CE1 3.72Å; V45-L118 HydrophobicContact CG2-CB 4.48Å; V45-H119 HydrophobicContact CG2-CB 4.29Å; V45-H119 VanDerWaalsContact CG2-ND1 3.32Å; V45-H119 WeakPolarHBondContact CG2-ND1 3.39Å; V45-H119 PolarHBondContact O-CE1 3.39Å; V45-F122 HydrophobicContact CG1-CD2 4.3Å; V45-F122 HydrophobicContact CG2-CB 4.15Å; V45-F122 HydrophobicContact CG2-CG 4.42Å; V45-Y149 WeakPolarHBondContact O-CE1 3.39Å; V45-Y149 PolarHBondContact O-OH 3Å
46	F	96.9	Very high	94.5	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-69.4	142.1	-174.9	-65.1	-73.5	0	0	0	112.7	L43 A44 V50 I52 V56 L57 H103 K107 F122 Y142	L43-F46 HydrophobicContact CB-CD2 4.19Å; L43-F46 HydrophobicContact CD2-CD2 4.12Å; L43-F46 HydrophobicContact CD2-CE2 3.76Å; L43-F46 WeakPolarHBondContact O-CD2 3.39Å; L43-F46 PolarHBondContact O-N 3.29Å; A44-F46 VanDerWaalsContact C-N 3.35Å; A44-F46 PolarHBondContact O-N 2.89Å; F46-V50 HydrophobicContact CB-CG2 3.81Å; F46-V50 HydrophobicContact CD1-CG2 4.38Å; F46-V50 HydrophobicContact CG-CG2 4.45Å; F46-I52 HydrophobicContact CD2-CD1 4.39Å; F46-I52 HydrophobicContact CD2-CG1 4.47Å; F46-I52 HydrophobicContact CG-CG1 4.47Å; F46-V56 HydrophobicContact CE1-CG1 3.78Å; F46-V56 HydrophobicContact CZ-CG1 3.96Å; F46-L57 HydrophobicContact CE2-CD2 3.84Å; F46-L57 HydrophobicContact CZ-CD2 3.84Å; F46-H103 PolarHBondContact O-CE1 2.92Å; F46-H103 PolarHBondContact O-NE2 2.8Å; F46-K107 WeakPolarHBondContact O-CE 3.45Å; F46-K107 PolarHBondContact O-NZ 2.9Å; F46-F122 HydrophobicContact CE1-CE2 4.24Å; F46-F122 HydrophobicContact CZ-CE2 4.25Å; F46-Y142 AromaticContact CD1-CE1 3.94Å; F46-Y142 HydrophobicContact CD1-CE1 3.94Å; F46-Y142 AromaticContact CD1-CE2 3.61Å; F46-Y142 HydrophobicContact CD1-CE2 3.61Å; F46-Y142 AromaticContact CD1-CZ 3.3Å; F46-Y142 WeakPolarHBondContact CD1-OH 3.41Å; F46-Y142 HydrophobicContact CE1-CD1 4.34Å; F46-Y142 AromaticContact CE1-CE1 3.74Å; F46-Y142 HydrophobicContact CE1-CE1 3.74Å; F46-Y142 HydrophobicContact CE1-CE2 4.05Å; F46-Y142 AromaticContact CE1-CZ 3.6Å
47	P	95.5	Very high	94.6	Very high	20 Å²	20	27.6 Å²	27.6	13%	0.13	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-58.6	157	169.4	-14.4	23.6	0	0	0	112	G49 V50 H103 Y142 F146 Y149	P47-G49 PolarHBondContact O-N 3.13Å; P47-V50 HydrophobicContact CB-CG1 3.68Å; P47-V50 HydrophobicContact CG-CG1 3.89Å; P47-V50 VanDerWaalsContact O-CG2 3.26Å; P47-V50 WeakPolarHBondContact O-CG2 3.33Å; P47-H103 PolarHBondContact O-CE1 3.06Å; P47-H103 VanDerWaalsContact O-CE1 3.26Å; P47-Y142 WeakPolarHBondContact CD-OH 3.21Å; P47-F146 HydrophobicContact CG-CD1 3.77Å; P47-F146 HydrophobicContact CG-CE1 3.9Å; P47-F146 HydrophobicContact CG-CG 4.26Å; P47-F146 HydrophobicContact CG-CZ 4.47Å; P47-Y149 HydrophobicContact CB-CE1 4.45Å; P47-Y149 HydrophobicContact CG-CD1 3.74Å; P47-Y149 HydrophobicContact CG-CD2 4.48Å; P47-Y149 HydrophobicContact CG-CE1 3.53Å; P47-Y149 HydrophobicContact CG-CE2 4.31Å; P47-Y149 HydrophobicContact CG-CG 4.22Å
48	L	93.3	Very high	94.8	Very high	74 Å²	74	27.2 Å²	27.2	39%	0.387	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	136.3	179.6	-65.5	179.6	0	0	0	110.9	V50 H103 R104 K107	L48-V50 VanDerWaalsContact C-N 3.26Å; L48-V50 PolarHBondContact O-N 3.33Å; L48-H103 HydrophobicContact CD2-CB 3.76Å; L48-H103 WeakPolarHBondContact CD2-ND1 3.47Å; L48-R104 HydrophobicContact CD1-CG 4.11Å; L48-R104 HydrophobicContact CD2-CG 4.18Å; L48-K107 HydrophobicContact CD2-CD 3.92Å
49	G	91.2	Very high	94.9	Very high	51 Å²	51	21.2 Å²	21.2	53%	0.526	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	6.9	172.1	0	0	0	0	0	115.2	P47	P47-G49 PolarHBondContact O-N 3.13Å
50	V	92.7	Very high	95	Very high	21 Å²	21	20.6 Å²	20.6	13%	0.127	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-75.6	149	174.4	-55.9	0	0	0	0	110.9	F46 P47 L48 Y142 F146	F46-V50 HydrophobicContact CB-CG2 3.81Å; F46-V50 HydrophobicContact CD1-CG2 4.38Å; F46-V50 HydrophobicContact CG-CG2 4.45Å; P47-V50 HydrophobicContact CB-CG1 3.68Å; P47-V50 HydrophobicContact CG-CG1 3.89Å; P47-V50 VanDerWaalsContact O-CG2 3.26Å; P47-V50 WeakPolarHBondContact O-CG2 3.33Å; L48-V50 VanDerWaalsContact C-N 3.26Å; L48-V50 PolarHBondContact O-N 3.33Å; V50-Y142 HydrophobicContact CB-CE2 4.29Å; V50-Y142 HydrophobicContact CG2-CE2 3.94Å; V50-F146 HydrophobicContact CB-CE2 4.47Å; V50-F146 HydrophobicContact CG1-CE1 4.31Å; V50-F146 HydrophobicContact CG1-CE2 3.89Å; V50-F146 HydrophobicContact CG1-CZ 3.63Å
51	R	91.9	Very high	95.1	Very high	96 Å²	96	21.6 Å²	21.6	36%	0.362	12%	0.119	S	C	.	.	P	Polyproline II helix	trans	-67.6	131.6	165.7	178.5	-178.9	138.2	-175.6	-7.8	109.2	A95 Y97	R51-A95 HydrophobicContact CG-CB 4.01Å; R51-Y97 HydrophobicContact CB-CE1 3.8Å
52	I	92	Very high	95.2	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.01	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-97.6	119.4	173.5	-59.1	173.4	0	0	0	107.1	L43 F46 L57 L81 Y96 I98	L43-I52 HydrophobicContact CD1-CD1 4.4Å; L43-I52 HydrophobicContact CD2-CD1 4.37Å; F46-I52 HydrophobicContact CD2-CD1 4.39Å; F46-I52 HydrophobicContact CD2-CG1 4.47Å; F46-I52 HydrophobicContact CG-CG1 4.47Å; I52-L57 HydrophobicContact CG2-CD1 3.55Å; I52-L57 HydrophobicContact CG2-CD2 4.15Å; I52-L57 HydrophobicContact CG2-CG 3.86Å; I52-L81 HydrophobicContact CD1-CD2 4.42Å; I52-Y96 PolarHBondContact N-O 2.99Å; I52-Y96 PolarHBondContact O-N 3.4Å; I52-I98 HydrophobicContact CD1-CD1 3.48Å; I52-I98 VanDerWaalsContact CD1-CD1 3.48Å; I52-I98 HydrophobicContact CD1-CG1 3.52Å
53	S	91.4	Very high	95.3	Very high	13 Å²	13	29.1 Å²	29.1	9%	0.091	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-95.4	136.8	178.4	134.6	0	0	0	0	109.6	E55 V56 L57	S53-E55 PolarHBondContact O-N 3.05Å; S53-E55 PolarHBondContact OG-N 2.92Å; S53-E55 PolarHBondContact OG-OE2 2.9Å; S53-V56 WeakPolarHBondContact O-CB 3.13Å; S53-V56 PolarHBondContact O-N 2.89Å; S53-V56 VanDerWaalsContact O-N 3.09Å; S53-V56 PolarHBondContact OG-N 3.5Å; S53-L57 PolarHBondContact O-N 3.11Å
54	P	94	Very high	95.3	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.032	17%	0.172	C	C	.	.	H	α-helix	trans	-54.4	-39.3	172.6	-25.3	34	0	0	0	112.2	V56 L57 T58 V68 L72 Y96	P54-V56 VanDerWaalsContact C-N 3.26Å; P54-V56 PolarHBondContact O-N 2.95Å; P54-L57 CarbonylContact O-C 3.59Å; P54-L57 PolarHBondContact O-N 3.41Å; P54-T58 VanDerWaalsContact O-CG2 3.29Å; P54-T58 WeakPolarHBondContact O-CG2 3.45Å; P54-T58 PolarHBondContact O-N 3.29Å; P54-V68 HydrophobicContact CB-CG1 4.13Å; P54-L72 HydrophobicContact CB-CD1 4.1Å; P54-L72 HydrophobicContact CG-CD1 3.82Å; P54-Y96 HydrophobicContact CG-CD2 4.25Å; P54-Y96 HydrophobicContact CG-CE2 4Å
55	E	94.3	Very high	95.3	Very high	61 Å²	61	36.1 Å²	36.1	29%	0.285	19%	0.191	S	C	.	.	H	α-helix	trans	-62.7	-30.9	178.5	-58.1	75.6	-162.3	0	0	112.9	S53 T58 K65 H140	S53-E55 PolarHBondContact O-N 3.05Å; S53-E55 PolarHBondContact OG-N 2.92Å; S53-E55 PolarHBondContact OG-OE2 2.9Å; E55-T58 PolarHBondContact O-OG1 2.87Å; E55-K65 IonicContact OE1-NZ 2.71Å; E55-K65 PolarHBondContact OE1-NZ 3.45Å; E55-K65 VanDerWaalsContact OE1-NZ 3.17Å; E55-H140 PolarHBondContact O-CE1 3.23Å; E55-H140 PolarHBondContact O-ND1 3.38Å
56	V	96.3	Very high	95.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-71.9	-36.8	174.2	176.8	0	0	0	0	111.1	F46 S53 P54 Y60 F122 Y126 H140 Y142	F46-V56 HydrophobicContact CE1-CG1 3.78Å; F46-V56 HydrophobicContact CZ-CG1 3.96Å; S53-V56 WeakPolarHBondContact O-CB 3.13Å; S53-V56 PolarHBondContact O-N 2.89Å; S53-V56 VanDerWaalsContact O-N 3.09Å; S53-V56 PolarHBondContact OG-N 3.5Å; P54-V56 VanDerWaalsContact C-N 3.26Å; P54-V56 PolarHBondContact O-N 2.95Å; V56-Y60 PolarHBondContact O-N 3.24Å; V56-Y60 VanDerWaalsContact O-N 3.1Å; V56-F122 HydrophobicContact CG1-CE2 3.71Å; V56-F122 HydrophobicContact CG1-CZ 3.95Å; V56-Y126 WeakPolarHBondContact CA-OH 3.36Å; V56-Y126 HydrophobicContact CG1-CE2 4.35Å; V56-H140 HydrophobicContact CG2-CB 4.29Å; V56-Y142 HydrophobicContact CG1-CD1 3.83Å; V56-Y142 HydrophobicContact CG1-CE1 4.32Å; V56-Y142 HydrophobicContact CG1-CG 4.4Å; V56-Y142 HydrophobicContact CG2-CD1 4.02Å; V56-Y142 HydrophobicContact CG2-CG 3.93Å
57	L	97.6	Very high	95.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-76.1	-30.5	-179.6	-65.8	177.7	0	0	0	112.6	L43 F46 I52 S53 P54 V59 Y60 W61 V68 L72	L43-L57 HydrophobicContact CD2-CD1 4.46Å; L43-L57 HydrophobicContact CD2-CD2 3.77Å; F46-L57 HydrophobicContact CE2-CD2 3.84Å; F46-L57 HydrophobicContact CZ-CD2 3.84Å; I52-L57 HydrophobicContact CG2-CD1 3.55Å; I52-L57 HydrophobicContact CG2-CD2 4.15Å; I52-L57 HydrophobicContact CG2-CG 3.86Å; S53-L57 PolarHBondContact O-N 3.11Å; P54-L57 CarbonylContact O-C 3.59Å; P54-L57 PolarHBondContact O-N 3.41Å; L57-V59 PolarHBondContact O-N 2.95Å; L57-Y60 HydrophobicContact CD2-CD1 4.46Å; L57-Y60 PolarHBondContact O-N 3.36Å; L57-Y60 VanDerWaalsContact O-N 3.16Å; L57-W61 HydrophobicContact CB-CD2 4.23Å; L57-W61 HydrophobicContact CB-CE3 3.99Å; L57-W61 HydrophobicContact CB-CZ3 4.16Å; L57-W61 HydrophobicContact CD1-CE3 4.45Å; L57-W61 HydrophobicContact CD1-CH2 3.64Å; L57-W61 HydrophobicContact CD1-CZ2 4.18Å; L57-W61 HydrophobicContact CD1-CZ3 3.8Å; L57-W61 HydrophobicContact CD2-CD2 4.3Å; L57-W61 HydrophobicContact CD2-CH2 4.12Å; L57-W61 HydrophobicContact CD2-CZ2 3.79Å; L57-W61 HydrophobicContact CG-CH2 4.33Å; L57-W61 HydrophobicContact CG-CZ2 4.48Å; L57-W61 HydrophobicContact CG-CZ3 4.39Å; L57-W61 WeakPolarHBondContact O-CB 3.4Å; L57-W61 PolarHBondContact O-N 3.15Å; L57-V68 HydrophobicContact CB-CG1 3.65Å; L57-V68 HydrophobicContact CB-CG2 4.41Å; L57-V68 HydrophobicContact CD1-CG1 4.17Å; L57-L72 HydrophobicContact CD1-CD1 4.15Å; L57-L72 HydrophobicContact CD1-CD2 3.71Å; L57-L72 HydrophobicContact CD1-CG 4.18Å
58	T	97.3	Very high	95.4	Very high	27 Å²	27	48.4 Å²	48.4	17%	0.166	24%	0.24	C	C	.	.	H	α-helix	trans	-60.5	-38	173.2	61.6	0	0	0	0	111.1	P54 E55 E62 M63 K65 V68	P54-T58 VanDerWaalsContact O-CG2 3.29Å; P54-T58 WeakPolarHBondContact O-CG2 3.45Å; P54-T58 PolarHBondContact O-N 3.29Å; E55-T58 PolarHBondContact O-OG1 2.87Å; T58-E62 WeakPolarHBondContact O-CA 3.41Å; T58-E62 PolarHBondContact O-N 3.29Å; T58-E62 VanDerWaalsContact O-N 3.16Å; T58-M63 WeakPolarHBondContact CA-O 3.39Å; T58-M63 VanDerWaalsContact CB-O 3.3Å; T58-M63 WeakPolarHBondContact CB-O 3.43Å; T58-M63 PolarHBondContact O-N 2.86Å; T58-K65 HydrophobicContact CG2-CB 4.16Å; T58-V68 HydrophobicContact CG2-CB 4.23Å; T58-V68 HydrophobicContact CG2-CG2 3.83Å
59	V	97.7	Very high	95.5	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.03	23%	0.233	C	C	.	.	H	α-helix	trans	-70	-46.1	173.4	176.1	0	0	0	0	111	L57 G125 Y126 R129	L57-V59 PolarHBondContact O-N 2.95Å; V59-G125 WeakPolarHBondContact CG1-O 3.4Å; V59-Y126 HydrophobicContact CB-CD2 4.42Å; V59-Y126 HydrophobicContact CB-CE1 4.43Å; V59-Y126 HydrophobicContact CB-CE2 4.06Å; V59-Y126 HydrophobicContact CG1-CD1 3.98Å; V59-Y126 HydrophobicContact CG1-CD2 3.56Å; V59-Y126 HydrophobicContact CG1-CE1 4.13Å; V59-Y126 HydrophobicContact CG1-CE2 3.71Å; V59-Y126 HydrophobicContact CG1-CG 3.71Å; V59-Y126 HydrophobicContact CG2-CE1 4.23Å; V59-R129 PolarHBondContact O-NH1 3.31Å; V59-R129 VanDerWaalsContact O-NH1 3.08Å
60	Y	97.9	Very high	95.7	Very high	9 Å²	9	50.3 Å²	50.3	4%	0.035	24%	0.238	C	C	.	.	H	α-helix	trans	-73.2	-39.7	-172.3	-174.3	-153.1	0	0	0	114.1	D42 V45 V56 L57 L118 R121 F122	D42-Y60 HydrophobicContact CB-CE1 3.72Å; D42-Y60 WeakPolarHBondContact O-CE1 3.38Å; V45-Y60 HydrophobicContact CB-CE1 4.5Å; V45-Y60 HydrophobicContact CG1-CD1 4.45Å; V45-Y60 HydrophobicContact CG1-CE1 3.72Å; V56-Y60 PolarHBondContact O-N 3.24Å; V56-Y60 VanDerWaalsContact O-N 3.1Å; L57-Y60 HydrophobicContact CD2-CD1 4.46Å; L57-Y60 PolarHBondContact O-N 3.36Å; L57-Y60 VanDerWaalsContact O-N 3.16Å; Y60-L118 PolarHBondContact OH-O 3.26Å; Y60-R121 VanDerWaalsContact CZ-NH2 3.33Å; Y60-R121 PolarHBondContact OH-NH2 2.95Å; Y60-R121 VanDerWaalsContact OH-NH2 3.1Å; Y60-F122 AromaticContact CD1-CD2 3.97Å; Y60-F122 HydrophobicContact CD1-CD2 3.97Å; Y60-F122 HydrophobicContact CD2-CB 3.89Å; Y60-F122 AromaticContact CD2-CD2 3.71Å; Y60-F122 HydrophobicContact CD2-CD2 3.71Å; Y60-F122 HydrophobicContact CD2-CG 4.28Å; Y60-F122 HydrophobicContact CE1-CD2 4.31Å; Y60-F122 HydrophobicContact CE2-CB 3.59Å; Y60-F122 HydrophobicContact CE2-CD2 4.09Å; Y60-F122 HydrophobicContact CE2-CG 4.36Å; Y60-F122 AromaticContact CG-CD2 3.64Å; Y60-F122 HydrophobicContact CG-CD2 3.64Å; Y60-F122 HydrophobicContact CG-CE2 4.36Å
61	W	98	Very high	96	Very high	22 Å²	22	50.3 Å²	50.3	8%	0.083	24%	0.236	C	C	.	.	H	α-helix	trans	-93.7	-4.5	-179.9	-61.7	-24.4	0	0	0	113	L39 L43 L57 M63 V68 I71 F75	L39-W61 HydrophobicContact CB-CH2 4.36Å; L39-W61 HydrophobicContact CB-CZ2 3.97Å; L39-W61 HydrophobicContact CD2-CB 4.2Å; L39-W61 HydrophobicContact CD2-CD2 3.78Å; L39-W61 HydrophobicContact CD2-CE3 4.41Å; L39-W61 HydrophobicContact CD2-CG 3.65Å; L39-W61 VanDerWaalsContact O-CZ2 3.28Å; L39-W61 WeakPolarHBondContact O-CZ2 3.4Å; L43-W61 HydrophobicContact CD2-CH2 4.23Å; L43-W61 HydrophobicContact CD2-CZ2 3.66Å; L43-W61 HydrophobicContact CG-CZ2 4.33Å; L57-W61 HydrophobicContact CB-CD2 4.23Å; L57-W61 HydrophobicContact CB-CE3 3.99Å; L57-W61 HydrophobicContact CB-CZ3 4.16Å; L57-W61 HydrophobicContact CD1-CE3 4.45Å; L57-W61 HydrophobicContact CD1-CH2 3.64Å; L57-W61 HydrophobicContact CD1-CZ2 4.18Å; L57-W61 HydrophobicContact CD1-CZ3 3.8Å; L57-W61 HydrophobicContact CD2-CD2 4.3Å; L57-W61 HydrophobicContact CD2-CH2 4.12Å; L57-W61 HydrophobicContact CD2-CZ2 3.79Å; L57-W61 HydrophobicContact CG-CH2 4.33Å; L57-W61 HydrophobicContact CG-CZ2 4.48Å; L57-W61 HydrophobicContact CG-CZ3 4.39Å; L57-W61 WeakPolarHBondContact O-CB 3.4Å; L57-W61 PolarHBondContact O-N 3.15Å; W61-M63 HydrophobicContact CB-CB 4.43Å; W61-M63 HydrophobicContact CB-CG 4.22Å; W61-M63 HydrophobicContact CB-SD 3.97Å; W61-M63 PolarHBondContact O-N 3.44Å; W61-V68 HydrophobicContact CE3-CG1 4.46Å; W61-V68 HydrophobicContact CE3-CG2 4.1Å; W61-V68 HydrophobicContact CZ3-CG1 4.3Å; W61-I71 HydrophobicContact CE3-CD1 4.34Å; W61-I71 HydrophobicContact CH2-CG2 3.97Å; W61-I71 HydrophobicContact CZ3-CB 4.24Å; W61-I71 HydrophobicContact CZ3-CD1 4.35Å; W61-I71 HydrophobicContact CZ3-CG2 3.7Å; W61-F75 HydrophobicContact CH2-CE2 4.01Å
62	E	97.4	Very high	96.2	Very high	142 Å²	142	45.7 Å²	45.7	66%	0.664	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	41.6	-178.8	-58.4	175.6	-175.4	0	0	112.5	T58	T58-E62 WeakPolarHBondContact O-CA 3.41Å; T58-E62 PolarHBondContact O-N 3.29Å; T58-E62 VanDerWaalsContact O-N 3.16Å
63	M	97.8	Very high	96.3	Very high	60 Å²	60	48.2 Å²	48.2	30%	0.296	24%	0.237	S	C	.	.			trans	-119.6	155.9	-176.1	-76.7	173.4	164.6	0	0	110.8	L39 T58 W61 E67 V68 I71	L39-M63 HydrophobicContact CD1-CE 4.34Å; L39-M63 HydrophobicContact CD1-SD 4.48Å; T58-M63 WeakPolarHBondContact CA-O 3.39Å; T58-M63 VanDerWaalsContact CB-O 3.3Å; T58-M63 WeakPolarHBondContact CB-O 3.43Å; T58-M63 PolarHBondContact O-N 2.86Å; W61-M63 HydrophobicContact CB-CB 4.43Å; W61-M63 HydrophobicContact CB-CG 4.22Å; W61-M63 HydrophobicContact CB-SD 3.97Å; W61-M63 PolarHBondContact O-N 3.44Å; M63-E67 HydrophobicContact CB-CB 4.14Å; M63-V68 HydrophobicContact CB-CG2 3.8Å; M63-I71 HydrophobicContact CE-CD1 4.27Å; M63-I71 HydrophobicContact SD-CD1 3.54Å; M63-I71 VanDerWaalsContact SD-CD1 3.54Å
64	S	97	Very high	96.4	Very high	52 Å²	52	49.8 Å²	49.8	36%	0.364	24%	0.242	S	C	.	.			trans	-66.1	159.5	171.6	69.4	0	0	0	0	111.3	Y66 E67 V68	S64-Y66 VanDerWaalsContact C-N 3.26Å; S64-Y66 PolarHBondContact O-N 3.46Å; S64-E67 VanDerWaalsContact CB-OE2 3.29Å; S64-E67 WeakPolarHBondContact CB-OE2 3.44Å; S64-E67 PolarHBondContact N-OE2 3.48Å; S64-E67 PolarHBondContact O-N 3.01Å; S64-E67 WeakPolarHBondContact OG-CG 3.32Å; S64-E67 PolarHBondContact OG-N 3.29Å; S64-E67 PolarHBondContact OG-OE2 3.27Å; S64-V68 WeakPolarHBondContact O-CG2 3.26Å; S64-V68 PolarHBondContact O-N 2.82Å; S64-V68 VanDerWaalsContact O-N 3.08Å
65	K	94.6	Very high	96.5	Very high	98 Å²	98	49.5 Å²	49.5	43%	0.426	24%	0.241	S	C	.	.	H	α-helix	trans	-57.2	-41.2	178	-178.2	166.4	176.2	162.1	0	112	E55 T58 V68 E69	E55-K65 IonicContact OE1-NZ 2.71Å; E55-K65 PolarHBondContact OE1-NZ 3.45Å; E55-K65 VanDerWaalsContact OE1-NZ 3.17Å; T58-K65 HydrophobicContact CG2-CB 4.16Å; K65-V68 PolarHBondContact O-N 3.13Å; K65-E69 WeakPolarHBondContact CE-OE1 3.42Å; K65-E69 HydrophobicContact CG-CG 4.35Å; K65-E69 WeakPolarHBondContact CG-OE1 3.38Å; K65-E69 IonicContact NZ-OE1 3.46Å; K65-E69 WeakPolarHBondContact O-CB 3.29Å; K65-E69 WeakPolarHBondContact O-CG 3Å; K65-E69 PolarHBondContact O-N 3.37Å
66	Y	95.6	Very high	96.5	Very high	182 Å²	182	48.6 Å²	48.6	71%	0.714	24%	0.239	S	C	*	.	H	α-helix	trans	-61.3	-48.5	177.7	-63.3	-70	0	0	0	112.5	S64 V68 E69 D70	S64-Y66 VanDerWaalsContact C-N 3.26Å; S64-Y66 PolarHBondContact O-N 3.46Å; Y66-V68 VanDerWaalsContact C-N 3.3Å; Y66-V68 PolarHBondContact O-N 3.37Å; Y66-E69 PolarHBondContact O-N 3.37Å; Y66-D70 PolarHBondContact O-N 3.29Å
67	E	97.8	Very high	96.3	Very high	96 Å²	96	56.7 Å²	56.7	45%	0.449	28%	0.275	S	S	.	.	H	α-helix	trans	-60.5	-42.2	177.7	-70.6	165.8	117.2	0	0	111.6	M63 S64 D70 I71	M63-E67 HydrophobicContact CB-CB 4.14Å; S64-E67 VanDerWaalsContact CB-OE2 3.29Å; S64-E67 WeakPolarHBondContact CB-OE2 3.44Å; S64-E67 PolarHBondContact N-OE2 3.48Å; S64-E67 PolarHBondContact O-N 3.01Å; S64-E67 WeakPolarHBondContact OG-CG 3.32Å; S64-E67 PolarHBondContact OG-N 3.29Å; S64-E67 PolarHBondContact OG-OE2 3.27Å; E67-D70 PolarHBondContact O-N 3.47Å; E67-I71 VanDerWaalsContact O-CD1 3.31Å; E67-I71 WeakPolarHBondContact O-CD1 3.04Å; E67-I71 VanDerWaalsContact O-CG1 3.27Å; E67-I71 WeakPolarHBondContact O-CG1 3.44Å; E67-I71 PolarHBondContact O-N 3.07Å
68	V	97.6	Very high	96	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.4	-44.2	177	171.5	0	0	0	0	111.5	P54 L57 T58 W61 M63 S64 K65 Y66 D70 I71 L72	P54-V68 HydrophobicContact CB-CG1 4.13Å; L57-V68 HydrophobicContact CB-CG1 3.65Å; L57-V68 HydrophobicContact CB-CG2 4.41Å; L57-V68 HydrophobicContact CD1-CG1 4.17Å; T58-V68 HydrophobicContact CG2-CB 4.23Å; T58-V68 HydrophobicContact CG2-CG2 3.83Å; W61-V68 HydrophobicContact CE3-CG1 4.46Å; W61-V68 HydrophobicContact CE3-CG2 4.1Å; W61-V68 HydrophobicContact CZ3-CG1 4.3Å; M63-V68 HydrophobicContact CB-CG2 3.8Å; S64-V68 WeakPolarHBondContact O-CG2 3.26Å; S64-V68 PolarHBondContact O-N 2.82Å; S64-V68 VanDerWaalsContact O-N 3.08Å; K65-V68 PolarHBondContact O-N 3.13Å; Y66-V68 VanDerWaalsContact C-N 3.3Å; Y66-V68 PolarHBondContact O-N 3.37Å; V68-D70 VanDerWaalsContact C-N 3.35Å; V68-I71 PolarHBondContact O-N 3.33Å; V68-L72 HydrophobicContact CG1-CD1 3.87Å; V68-L72 HydrophobicContact CG1-CG 4.28Å; V68-L72 WeakPolarHBondContact O-CB 3.29Å; V68-L72 VanDerWaalsContact O-CG 3.26Å; V68-L72 WeakPolarHBondContact O-CG 3.41Å; V68-L72 PolarHBondContact O-N 2.97Å
69	E	95.1	Very high	95.6	Very high	50 Å²	50	63.3 Å²	63.3	23%	0.234	31%	0.313	C	S	.	.	H	α-helix	trans	-64.6	-37.7	178.4	-75.8	174.5	174.1	0	0	112.2	K65 Y66 L72 S73	K65-E69 WeakPolarHBondContact CE-OE1 3.42Å; K65-E69 HydrophobicContact CG-CG 4.35Å; K65-E69 WeakPolarHBondContact CG-OE1 3.38Å; K65-E69 IonicContact NZ-OE1 3.46Å; K65-E69 WeakPolarHBondContact O-CB 3.29Å; K65-E69 WeakPolarHBondContact O-CG 3Å; K65-E69 PolarHBondContact O-N 3.37Å; Y66-E69 PolarHBondContact O-N 3.37Å; E69-L72 PolarHBondContact O-N 3.07Å; E69-S73 VanDerWaalsContact O-CB 3.29Å; E69-S73 WeakPolarHBondContact O-CB 3.49Å; E69-S73 PolarHBondContact O-N 2.69Å; E69-S73 PolarHBondContact O-OG 3.47Å
70	D	96.3	Very high	95.4	Very high	116 Å²	116	63.1 Å²	63.1	62%	0.62	31%	0.312	S	S	*	.	H	α-helix	trans	-63.2	-44.9	173.5	-75.7	-18.5	0	0	0	111.3	Y66 E67 V68 S73 E74	Y66-D70 PolarHBondContact O-N 3.29Å; E67-D70 PolarHBondContact O-N 3.47Å; V68-D70 VanDerWaalsContact C-N 3.35Å; D70-S73 PolarHBondContact O-N 2.79Å; D70-E74 PolarHBondContact O-N 3.36Å
71	I	97.5	Very high	95.2	Very high	20 Å²	20	62.9 Å²	62.9	10%	0.103	31%	0.311	C	S	.	.	H	α-helix	trans	-63.1	-45.8	176.5	-69.1	157.4	0	0	0	111	L36 L39 W61 M63 E67 V68 S73 E74 F75	L36-I71 HydrophobicContact CD2-CB 4.49Å; L36-I71 HydrophobicContact CD2-CG1 4.08Å; L36-I71 HydrophobicContact CD2-CG2 4.01Å; L39-I71 HydrophobicContact CD1-CD1 3.64Å; L39-I71 HydrophobicContact CD1-CG1 4.32Å; L39-I71 HydrophobicContact CD1-CG2 4.34Å; W61-I71 HydrophobicContact CE3-CD1 4.34Å; W61-I71 HydrophobicContact CH2-CG2 3.97Å; W61-I71 HydrophobicContact CZ3-CB 4.24Å; W61-I71 HydrophobicContact CZ3-CD1 4.35Å; W61-I71 HydrophobicContact CZ3-CG2 3.7Å; M63-I71 HydrophobicContact CE-CD1 4.27Å; M63-I71 HydrophobicContact SD-CD1 3.54Å; M63-I71 VanDerWaalsContact SD-CD1 3.54Å; E67-I71 VanDerWaalsContact O-CD1 3.31Å; E67-I71 WeakPolarHBondContact O-CD1 3.04Å; E67-I71 VanDerWaalsContact O-CG1 3.27Å; E67-I71 WeakPolarHBondContact O-CG1 3.44Å; E67-I71 PolarHBondContact O-N 3.07Å; V68-I71 PolarHBondContact O-N 3.33Å; I71-S73 VanDerWaalsContact C-N 3.33Å; I71-S73 PolarHBondContact O-N 2.88Å; I71-E74 PolarHBondContact O-N 3.26Å; I71-F75 HydrophobicContact CG2-CD2 4.03Å; I71-F75 HydrophobicContact CG2-CE1 4.37Å; I71-F75 HydrophobicContact CG2-CE2 3.49Å; I71-F75 VanDerWaalsContact CG2-CE2 3.49Å; I71-F75 HydrophobicContact CG2-CZ 3.68Å; I71-F75 WeakPolarHBondContact O-CG 3.32Å; I71-F75 PolarHBondContact O-N 3.29Å
72	L	96.2	Very high	94.9	Very high	0 Å²	0	65 Å²	65	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-62.2	-41.7	178	-74	173.5	0	0	0	111.4	P54 L57 V68 E69 E74 F75 V76 L81 Y96	P54-L72 HydrophobicContact CB-CD1 4.1Å; P54-L72 HydrophobicContact CG-CD1 3.82Å; L57-L72 HydrophobicContact CD1-CD1 4.15Å; L57-L72 HydrophobicContact CD1-CD2 3.71Å; L57-L72 HydrophobicContact CD1-CG 4.18Å; V68-L72 HydrophobicContact CG1-CD1 3.87Å; V68-L72 HydrophobicContact CG1-CG 4.28Å; V68-L72 WeakPolarHBondContact O-CB 3.29Å; V68-L72 VanDerWaalsContact O-CG 3.26Å; V68-L72 WeakPolarHBondContact O-CG 3.41Å; V68-L72 PolarHBondContact O-N 2.97Å; E69-L72 PolarHBondContact O-N 3.07Å; L72-E74 VanDerWaalsContact C-N 3.33Å; L72-E74 PolarHBondContact O-N 3.09Å; L72-F75 PolarHBondContact O-N 2.9Å; L72-V76 VanDerWaalsContact O-CG2 3.32Å; L72-V76 WeakPolarHBondContact O-CG2 3.5Å; L72-V76 PolarHBondContact O-N 3.24Å; L72-L81 HydrophobicContact CD2-CD1 3.34Å; L72-Y96 HydrophobicContact CB-CD1 4.08Å; L72-Y96 HydrophobicContact CB-CE1 3.71Å; L72-Y96 HydrophobicContact CD1-CD1 4.45Å; L72-Y96 HydrophobicContact CD1-CD2 3.88Å; L72-Y96 HydrophobicContact CD1-CE1 4.4Å; L72-Y96 HydrophobicContact CD1-CE2 3.85Å; L72-Y96 HydrophobicContact CD1-CG 4.2Å; L72-Y96 HydrophobicContact CD2-CD1 4.2Å; L72-Y96 HydrophobicContact CD2-CG 4.21Å; L72-Y96 HydrophobicContact CG-CD1 4.49Å; L72-Y96 HydrophobicContact CG-CE1 4.49Å
73	S	94.2	Very high	94.6	Very high	54 Å²	54	63.9 Å²	63.9	38%	0.378	31%	0.313	S	S	.	.	H	α-helix	trans	-60.7	-42	175.6	-66.3	0	0	0	0	111.8	E69 D70 I71 V76 K77	E69-S73 VanDerWaalsContact O-CB 3.29Å; E69-S73 WeakPolarHBondContact O-CB 3.49Å; E69-S73 PolarHBondContact O-N 2.69Å; E69-S73 PolarHBondContact O-OG 3.47Å; D70-S73 PolarHBondContact O-N 2.79Å; I71-S73 VanDerWaalsContact C-N 3.33Å; I71-S73 PolarHBondContact O-N 2.88Å; S73-V76 PolarHBondContact O-N 3Å; S73-K77 WeakPolarHBondContact O-CB 3.39Å; S73-K77 PolarHBondContact O-N 3.27Å
74	E	94.6	Very high	94.1	Very high	46 Å²	46	67.5 Å²	67.5	22%	0.215	32%	0.323	C	S	.	.	H	α-helix	trans	-65.1	-40.4	175.7	-175.7	62.2	-169.3	0	0	111.8	L36 D70 I71 L72 V76 K77 R78	L36-E74 HydrophobicContact CD1-CG 4.12Å; D70-E74 PolarHBondContact O-N 3.36Å; I71-E74 PolarHBondContact O-N 3.26Å; L72-E74 VanDerWaalsContact C-N 3.33Å; L72-E74 PolarHBondContact O-N 3.09Å; E74-V76 PolarHBondContact O-N 3.47Å; E74-K77 PolarHBondContact O-N 3.01Å; E74-R78 WeakPolarHBondContact O-CG 3.28Å; E74-R78 PolarHBondContact O-N 2.87Å; E74-R78 IonicContact OE1-CZ 3.19Å; E74-R78 IonicContact OE1-NE 2.71Å; E74-R78 PolarHBondContact OE1-NE 3.3Å; E74-R78 IonicContact OE1-NH2 2.79Å; E74-R78 PolarHBondContact OE1-NH2 2.74Å
75	F	95.4	Very high	93.2	Very high	0 Å²	0	70 Å²	70	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-64.7	-38.2	173.8	-67	-22.7	0	0	0	112.7	L32 L36 L39 Y40 W61 I71 L72 R78 A79 L80 L81	L32-F75 HydrophobicContact CD1-CE1 4.32Å; L36-F75 HydrophobicContact CB-CE1 4.22Å; L36-F75 HydrophobicContact CD2-CE1 4.25Å; L36-F75 HydrophobicContact CD2-CZ 4.45Å; L36-F75 WeakPolarHBondContact O-CZ 3.43Å; L39-F75 HydrophobicContact CB-CZ 4.29Å; Y40-F75 HydrophobicContact CD2-CD1 4.15Å; Y40-F75 AromaticContact CD2-CD2 3.99Å; Y40-F75 HydrophobicContact CD2-CD2 3.99Å; Y40-F75 HydrophobicContact CD2-CE1 4.14Å; Y40-F75 AromaticContact CD2-CE2 3.96Å; Y40-F75 HydrophobicContact CD2-CE2 3.96Å; Y40-F75 HydrophobicContact CD2-CG 4.09Å; Y40-F75 HydrophobicContact CD2-CZ 4.05Å; Y40-F75 HydrophobicContact CG-CE1 4.46Å; Y40-F75 HydrophobicContact CG-CZ 4.36Å; W61-F75 HydrophobicContact CH2-CE2 4.01Å; I71-F75 HydrophobicContact CG2-CD2 4.03Å; I71-F75 HydrophobicContact CG2-CE1 4.37Å; I71-F75 HydrophobicContact CG2-CE2 3.49Å; I71-F75 VanDerWaalsContact CG2-CE2 3.49Å; I71-F75 HydrophobicContact CG2-CZ 3.68Å; I71-F75 WeakPolarHBondContact O-CG 3.32Å; I71-F75 PolarHBondContact O-N 3.29Å; L72-F75 PolarHBondContact O-N 2.9Å; F75-R78 PolarHBondContact O-N 3.48Å; F75-A79 PolarHBondContact O-N 3.13Å; F75-L80 HydrophobicContact CB-CB 4.23Å; F75-L80 HydrophobicContact CD1-CD1 4.15Å; F75-L80 WeakPolarHBondContact O-CB 3.31Å; F75-L80 PolarHBondContact O-N 2.93Å; F75-L81 HydrophobicContact CB-CB 4.18Å; F75-L81 HydrophobicContact CB-CD1 3.77Å; F75-L81 HydrophobicContact CB-CG 3.79Å; F75-L81 HydrophobicContact CD2-CD1 3.84Å; F75-L81 HydrophobicContact CD2-CG 4.39Å; F75-L81 HydrophobicContact CG-CD1 4.31Å; F75-L81 PolarHBondContact O-N 3.49Å
76	V	93.9	Very high	91.7	Very high	41 Å²	41	68.5 Å²	68.5	25%	0.248	33%	0.329	C	S	.	.	H	α-helix	trans	-66.9	-44.7	176.1	170.2	0	0	0	0	111.3	L72 S73 E74 R78 A79 L81 R83 Y96	L72-V76 VanDerWaalsContact O-CG2 3.32Å; L72-V76 WeakPolarHBondContact O-CG2 3.5Å; L72-V76 PolarHBondContact O-N 3.24Å; S73-V76 PolarHBondContact O-N 3Å; E74-V76 PolarHBondContact O-N 3.47Å; V76-R78 PolarHBondContact O-N 3.47Å; V76-R78 VanDerWaalsContact O-N 3.13Å; V76-A79 PolarHBondContact O-N 3.31Å; V76-L81 HydrophobicContact CG2-CB 3.85Å; V76-R83 HydrophobicContact CG1-CB 4.13Å; V76-R83 HydrophobicContact CG2-CB 3.96Å; V76-Y96 HydrophobicContact CG2-CD1 3.79Å; V76-Y96 HydrophobicContact CG2-CE1 3.74Å
77	K	92.4	Very high	89.8	Confident	171 Å²	171	62.2 Å²	62.2	74%	0.743	32%	0.319	S	S	*	.	H	α-helix	trans	-56.4	-30.5	176.6	-176.9	-178.8	175.5	-172.8	0	112.4	S73 E74	S73-K77 WeakPolarHBondContact O-CB 3.39Å; S73-K77 PolarHBondContact O-N 3.27Å; E74-K77 PolarHBondContact O-N 3.01Å
78	R	90.7	Very high	87.4	Confident	90 Å²	90	65 Å²	65	34%	0.34	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	8.2	177.3	-65.2	177.8	-177.4	-115.6	3.8	114.2	D31 E74 F75 V76 L80	D31-R78 PolarHBondContact O-NH1 2.67Å; E74-R78 WeakPolarHBondContact O-CG 3.28Å; E74-R78 PolarHBondContact O-N 2.87Å; E74-R78 IonicContact OE1-CZ 3.19Å; E74-R78 IonicContact OE1-NE 2.71Å; E74-R78 PolarHBondContact OE1-NE 3.3Å; E74-R78 IonicContact OE1-NH2 2.79Å; E74-R78 PolarHBondContact OE1-NH2 2.74Å; F75-R78 PolarHBondContact O-N 3.48Å; V76-R78 PolarHBondContact O-N 3.47Å; V76-R78 VanDerWaalsContact O-N 3.13Å; R78-L80 HydrophobicContact CB-CD1 4.07Å; R78-L80 HydrophobicContact CB-CG 3.9Å; R78-L80 PolarHBondContact O-N 3.38Å; R78-L80 VanDerWaalsContact O-N 3.12Å
79	A	90.1	Very high	85.1	Confident	76 Å²	76	73.8 Å²	73.8	63%	0.628	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	22.8	-175.7	0	0	0	0	0	114.4	F75 V76	F75-A79 PolarHBondContact O-N 3.13Å; V76-A79 PolarHBondContact O-N 3.31Å
80	L	92.2	Very high	83	Confident	1 Å²	1	76.6 Å²	76.6	1%	0.005	42%	0.416	C	S	.	.	S	Bend	trans	-82.1	-26.1	175.4	-61.9	179	0	0	0	111.8	S28 L29 L32 Y40 F75 R78 L102	S28-L80 WeakPolarHBondContact OG-CD2 3.27Å; L29-L80 HydrophobicContact CD2-CD1 3.65Å; L29-L80 HydrophobicContact CD2-CD2 3.55Å; L29-L80 HydrophobicContact CD2-CG 4.23Å; L32-L80 HydrophobicContact CD1-CD1 3.78Å; L32-L80 HydrophobicContact CD2-CD1 4.34Å; L32-L80 HydrophobicContact CG-CD1 4.39Å; Y40-L80 HydrophobicContact CD2-CB 4.26Å; Y40-L80 HydrophobicContact CD2-CD1 4.43Å; Y40-L80 HydrophobicContact CE2-CB 3.55Å; Y40-L80 HydrophobicContact CE2-CD1 4.41Å; Y40-L80 HydrophobicContact CE2-CG 4.47Å; Y40-L80 PolarHBondContact OH-O 2.79Å; F75-L80 HydrophobicContact CB-CB 4.23Å; F75-L80 HydrophobicContact CD1-CD1 4.15Å; F75-L80 WeakPolarHBondContact O-CB 3.31Å; F75-L80 PolarHBondContact O-N 2.93Å; R78-L80 HydrophobicContact CB-CD1 4.07Å; R78-L80 HydrophobicContact CB-CG 3.9Å; R78-L80 PolarHBondContact O-N 3.38Å; R78-L80 VanDerWaalsContact O-N 3.12Å; L80-L102 HydrophobicContact CD2-CD1 4.36Å
81	L	94.5	Very high	81	Confident	4 Å²	4	73 Å²	73	2%	0.021	41%	0.406	C	S	.	.	S	Bend	trans	-125.7	154.5	168.7	-68.9	-178.1	0	0	0	110.3	L43 I52 L72 F75 V76 Y96 Y97 I98	L43-L81 HydrophobicContact CD1-CD2 4.15Å; I52-L81 HydrophobicContact CD1-CD2 4.42Å; L72-L81 HydrophobicContact CD2-CD1 3.34Å; F75-L81 HydrophobicContact CB-CB 4.18Å; F75-L81 HydrophobicContact CB-CD1 3.77Å; F75-L81 HydrophobicContact CB-CG 3.79Å; F75-L81 HydrophobicContact CD2-CD1 3.84Å; F75-L81 HydrophobicContact CD2-CG 4.39Å; F75-L81 HydrophobicContact CG-CD1 4.31Å; F75-L81 PolarHBondContact O-N 3.49Å; V76-L81 HydrophobicContact CG2-CB 3.85Å; L81-Y96 HydrophobicContact CD1-CD1 4.41Å; L81-Y97 CarbonylContact C-O 3.57Å; L81-Y97 WeakPolarHBondContact CA-O 3.36Å; L81-I98 HydrophobicContact CD2-CB 4.08Å; L81-I98 HydrophobicContact CD2-CG1 3.3Å
82	I	92.4	Very high	79.1	Confident	67 Å²	67	78.2 Å²	78.2	34%	0.344	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	120.1	171.4	-58.8	167.1	0	0	0	106.5	R84 Y96 Y97 H99	I82-R84 HydrophobicContact CG2-CG 4.19Å; I82-Y96 CarbonylContact O-C 3.6Å; I82-Y96 WeakPolarHBondContact O-CA 3.21Å; I82-Y97 PolarHBondContact N-O 3.21Å; I82-Y97 PolarHBondContact O-N 3.41Å; I82-H99 HydrophobicContact CD1-CB 4.48Å
83	R	91.5	Very high	77.7	Confident	118 Å²	118	81.6 Å²	81.6	45%	0.445	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	134.7	167.1	-168.6	174.4	68.2	-176.8	-2.6	109.3	V76 E94 A95 Y96	V76-R83 HydrophobicContact CG1-CB 4.13Å; V76-R83 HydrophobicContact CG2-CB 3.96Å; R83-E94 IonicContact CZ-OE1 3.59Å; R83-E94 IonicContact NH1-OE1 3.87Å; R83-E94 PolarHBondContact NH1-OE1 3.29Å; R83-A95 CarbonylContact C-O 3.56Å; R83-A95 WeakPolarHBondContact CA-O 3.38Å; R83-Y96 HydrophobicContact CB-CD1 4.34Å; R83-Y96 HydrophobicContact CB-CE1 4.15Å; R83-Y96 HydrophobicContact CG-CD1 4.42Å; R83-Y96 HydrophobicContact CG-CE1 3.97Å
84	R	86.8	Confident	76.7	Confident	135 Å²	135	81.8 Å²	81.8	51%	0.509	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	139.7	169	-63.5	-173.2	-179.1	179.9	-0.9	108.4	I82 D86 A95 Y97	I82-R84 HydrophobicContact CG2-CG 4.19Å; R84-D86 PolarHBondContact O-N 2.97Å; R84-A95 HydrophobicContact CB-CB 4.47Å; R84-A95 PolarHBondContact N-O 3.07Å; R84-A95 PolarHBondContact O-N 3.02Å; R84-Y97 HydrophobicContact CB-CE2 4.22Å; R84-Y97 HydrophobicContact CG-CD2 4.19Å; R84-Y97 HydrophobicContact CG-CE2 4.2Å
85	D	77.1	Confident	76.3	Confident	104 Å²	104	79.6 Å²	79.6	56%	0.556	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	96.8	170.1	-59	-28.2	0	0	0	106.1	I92	D85-I92 HydrophobicContact CB-CG2 4.08Å
86	D	62.7	Low	76.2	Confident	68 Å²	68	79.6 Å²	79.6	36%	0.364	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	102.1	171.1	-75.8	-12.6	0	0	0	106.5	R84 V93 A95 Y97	R84-D86 PolarHBondContact O-N 2.97Å; D86-V93 PolarHBondContact N-O 3.1Å; D86-V93 WeakPolarHBondContact O-CB 3.38Å; D86-V93 PolarHBondContact O-N 2.88Å; D86-V93 VanDerWaalsContact O-O 3.09Å; D86-A95 HydrophobicContact CB-CB 4.15Å; D86-A95 WeakPolarHBondContact OD2-CB 3.4Å; D86-Y97 PolarHBondContact OD2-OH 3.31Å
87	G	56.3	Low	76.2	Confident	49 Å²	49	79.8 Å²	79.8	51%	0.505	44%	0.435	S	S	.	.			trans	-157.2	133.9	176	0	0	0	0	0	111.2
88	D	46.6	Very low	76.2	Confident	156 Å²	156	72.1 Å²	72.1	83%	0.834	40%	0.402	S	S	*	.			trans	-85.9	175.6	151.5	-83.8	-21.5	0	0	0	108.4	A90 G91	D88-A90 PolarHBondContact O-N 3.05Å; D88-G91 PolarHBondContact O-N 3.16Å; D88-G91 VanDerWaalsContact O-N 3.16Å
89	D	49.5	Very low	76.1	Confident	184 Å²	184	71.9 Å²	71.9	98%	0.984	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.4	-7.9	-176.3	-75.1	-30.6	0	0	0	116.7
90	A	52.8	Low	76	Confident	109 Å²	109	71.2 Å²	71.2	90%	0.901	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-6.6	178.1	0	0	0	0	0	115.4	D88	D88-A90 PolarHBondContact O-N 3.05Å
91	G	54.2	Low	75.8	Confident	40 Å²	40	73.8 Å²	73.8	41%	0.412	41%	0.406	S	S	.	.			trans	140.3	147	173.1	0	0	0	0	0	113.7	D88 V93	D88-G91 PolarHBondContact O-N 3.16Å; D88-G91 VanDerWaalsContact O-N 3.16Å; G91-V93 PolarHBondContact O-N 3.18Å
92	I	56.7	Low	75.5	Confident	130 Å²	130	74.7 Å²	74.7	67%	0.667	41%	0.411	S	S	*	.			trans	-73.4	111.3	179	-58.6	171.1	0	0	0	108.3	D85	D85-I92 HydrophobicContact CB-CG2 4.08Å
93	V	66.1	Low	75.5	Confident	70 Å²	70	71.7 Å²	71.7	42%	0.424	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	106	169.2	-176.6	0	0	0	0	107.4	D86 G91 A95	D86-V93 PolarHBondContact N-O 3.1Å; D86-V93 WeakPolarHBondContact O-CB 3.38Å; D86-V93 PolarHBondContact O-N 2.88Å; D86-V93 VanDerWaalsContact O-O 3.09Å; G91-V93 PolarHBondContact O-N 3.18Å; V93-A95 PolarHBondContact O-N 3.15Å
94	E	74.5	Confident	75.5	Confident	58 Å²	58	70.2 Å²	70.2	27%	0.271	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	124.2	177.3	-65.1	-164.7	140.1	0	0	110.5	R83 Y96	R83-E94 IonicContact CZ-OE1 3.59Å; R83-E94 IonicContact NH1-OE1 3.87Å; R83-E94 PolarHBondContact NH1-OE1 3.29Å; E94-Y96 HydrophobicContact CB-CE2 3.74Å; E94-Y96 PolarHBondContact OE2-OH 2.97Å
95	A	84.9	Confident	75.5	Confident	0 Å²	0	64 Å²	64	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125.1	179.4	0	0	0	0	0	110.1	R51 R83 R84 D86 V93 Y97	R51-A95 HydrophobicContact CG-CB 4.01Å; R83-A95 CarbonylContact C-O 3.56Å; R83-A95 WeakPolarHBondContact CA-O 3.38Å; R84-A95 HydrophobicContact CB-CB 4.47Å; R84-A95 PolarHBondContact N-O 3.07Å; R84-A95 PolarHBondContact O-N 3.02Å; D86-A95 HydrophobicContact CB-CB 4.15Å; D86-A95 WeakPolarHBondContact OD2-CB 3.4Å; V93-A95 PolarHBondContact O-N 3.15Å; A95-Y97 HydrophobicContact CB-CE2 3.64Å
96	Y	94.2	Very high	76.1	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	137.9	179.9	-63.5	-94	0	0	0	110.7	I52 P54 L72 V76 L81 I82 R83 E94	I52-Y96 PolarHBondContact N-O 2.99Å; I52-Y96 PolarHBondContact O-N 3.4Å; P54-Y96 HydrophobicContact CG-CD2 4.25Å; P54-Y96 HydrophobicContact CG-CE2 4Å; L72-Y96 HydrophobicContact CB-CD1 4.08Å; L72-Y96 HydrophobicContact CB-CE1 3.71Å; L72-Y96 HydrophobicContact CD1-CD1 4.45Å; L72-Y96 HydrophobicContact CD1-CD2 3.88Å; L72-Y96 HydrophobicContact CD1-CE1 4.4Å; L72-Y96 HydrophobicContact CD1-CE2 3.85Å; L72-Y96 HydrophobicContact CD1-CG 4.2Å; L72-Y96 HydrophobicContact CD2-CD1 4.2Å; L72-Y96 HydrophobicContact CD2-CG 4.21Å; L72-Y96 HydrophobicContact CG-CD1 4.49Å; L72-Y96 HydrophobicContact CG-CE1 4.49Å; V76-Y96 HydrophobicContact CG2-CD1 3.79Å; V76-Y96 HydrophobicContact CG2-CE1 3.74Å; L81-Y96 HydrophobicContact CD1-CD1 4.41Å; I82-Y96 CarbonylContact O-C 3.6Å; I82-Y96 WeakPolarHBondContact O-CA 3.21Å; R83-Y96 HydrophobicContact CB-CD1 4.34Å; R83-Y96 HydrophobicContact CB-CE1 4.15Å; R83-Y96 HydrophobicContact CG-CD1 4.42Å; R83-Y96 HydrophobicContact CG-CE1 3.97Å; E94-Y96 HydrophobicContact CB-CE2 3.74Å; E94-Y96 PolarHBondContact OE2-OH 2.97Å
97	Y	94.2	Very high	77.4	Confident	45 Å²	45	57.2 Å²	57.2	18%	0.176	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	138	-179.8	-62.1	-90.7	0	0	0	110.9	R51 L81 I82 R84 D86 A95	R51-Y97 HydrophobicContact CB-CE1 3.8Å; L81-Y97 CarbonylContact C-O 3.57Å; L81-Y97 WeakPolarHBondContact CA-O 3.36Å; I82-Y97 PolarHBondContact N-O 3.21Å; I82-Y97 PolarHBondContact O-N 3.41Å; R84-Y97 HydrophobicContact CB-CE2 4.22Å; R84-Y97 HydrophobicContact CG-CD2 4.19Å; R84-Y97 HydrophobicContact CG-CE2 4.2Å; D86-Y97 PolarHBondContact OD2-OH 3.31Å; A95-Y97 HydrophobicContact CB-CE2 3.64Å
98	I	92.9	Very high	78.9	Confident	10 Å²	10	61 Å²	61	5%	0.051	34%	0.336	C	S	.	.			trans	-85.2	133.4	167.8	-52.5	156.8	0	0	0	108	L43 I52 L81 T100 L102 H103	L43-I98 HydrophobicContact CB-CD1 3.62Å; L43-I98 HydrophobicContact CD1-CD1 3.94Å; L43-I98 HydrophobicContact CD1-CG1 4.12Å; L43-I98 HydrophobicContact CG-CD1 4.39Å; I52-I98 HydrophobicContact CD1-CD1 3.48Å; I52-I98 VanDerWaalsContact CD1-CD1 3.48Å; I52-I98 HydrophobicContact CD1-CG1 3.52Å; L81-I98 HydrophobicContact CD2-CB 4.08Å; L81-I98 HydrophobicContact CD2-CG1 3.3Å; I98-T100 PolarHBondContact O-N 3.11Å; I98-L102 HydrophobicContact CG2-CB 4.1Å; I98-H103 HydrophobicContact CB-CB 4.01Å; I98-H103 HydrophobicContact CD1-CB 4.5Å; I98-H103 HydrophobicContact CG2-CB 3.62Å
99	H	88.4	Confident	80.9	Confident	86 Å²	86	57 Å²	57	40%	0.398	31%	0.314	S	S	.	.			trans	-56.9	130.5	171	-173.6	-97.1	0	0	0	110.2	I82 L101 L102 H103	I82-H99 HydrophobicContact CD1-CB 4.48Å; H99-L101 PolarHBondContact ND1-N 2.96Å; H99-L101 PolarHBondContact O-N 3.32Å; H99-L102 HydrophobicContact CB-CB 4.44Å; H99-L102 HydrophobicContact CB-CD1 4.22Å; H99-L102 HydrophobicContact CB-CG 4.32Å; H99-L102 PolarHBondContact O-N 3.33Å; H99-H103 PolarHBondContact O-N 2.7Å
100	T	87.7	Confident	82.7	Confident	62 Å²	62	50 Å²	50	38%	0.38	28%	0.275	S	S	.	.	H	α-helix	trans	-55.5	-35.7	-170.2	-52.7	0	0	0	0	113.2	I98 R104	I98-T100 PolarHBondContact O-N 3.11Å; T100-R104 VanDerWaalsContact O-CG 3.3Å; T100-R104 WeakPolarHBondContact O-CG 3.43Å; T100-R104 PolarHBondContact O-N 2.87Å
101	L	87.1	Confident	84.5	Confident	54 Å²	54	51.3 Å²	51.3	28%	0.283	26%	0.263	S	S	.	.	H	α-helix	trans	-68.6	-43.9	177.1	-62.4	-180	0	0	0	112.3	L7 F21 H99 H103 R104 V105	L7-L101 HydrophobicContact CD1-CD2 4.18Å; L7-L101 HydrophobicContact CD2-CD2 4.37Å; F21-L101 HydrophobicContact CE1-CB 3.57Å; F21-L101 HydrophobicContact CE1-CD1 4.2Å; F21-L101 HydrophobicContact CE1-CG 4.42Å; F21-L101 HydrophobicContact CE2-CD1 3.93Å; F21-L101 HydrophobicContact CZ-CB 3.48Å; F21-L101 VanDerWaalsContact CZ-CB 3.48Å; F21-L101 HydrophobicContact CZ-CD1 3.66Å; F21-L101 HydrophobicContact CZ-CG 4.21Å; H99-L101 PolarHBondContact ND1-N 2.96Å; H99-L101 PolarHBondContact O-N 3.32Å; L101-H103 VanDerWaalsContact C-N 3.33Å; L101-H103 PolarHBondContact O-N 3.47Å; L101-R104 PolarHBondContact O-N 2.94Å; L101-V105 WeakPolarHBondContact O-CG2 3.35Å; L101-V105 PolarHBondContact O-N 2.81Å
102	L	89.2	Confident	86.3	Confident	23 Å²	23	52.7 Å²	52.7	12%	0.12	27%	0.27	C	S	.	.	H	α-helix	trans	-63.4	-42.4	175.9	-68.7	178.7	0	0	0	110.5	A25 L80 I98 H99 R104 V105 V106	A25-L102 HydrophobicContact CB-CD2 3.64Å; L80-L102 HydrophobicContact CD2-CD1 4.36Å; I98-L102 HydrophobicContact CG2-CB 4.1Å; H99-L102 HydrophobicContact CB-CB 4.44Å; H99-L102 HydrophobicContact CB-CD1 4.22Å; H99-L102 HydrophobicContact CB-CG 4.32Å; H99-L102 PolarHBondContact O-N 3.33Å; L102-R104 VanDerWaalsContact C-N 3.28Å; L102-R104 PolarHBondContact O-N 3.1Å; L102-V105 PolarHBondContact O-N 2.62Å; L102-V105 VanDerWaalsContact O-N 3.13Å; L102-V106 WeakPolarHBondContact O-CG2 3.45Å; L102-V106 PolarHBondContact O-N 2.92Å
103	H	92.5	Very high	88	Confident	4 Å²	4	51.7 Å²	51.7	2%	0.019	26%	0.262	C	S	.	.	H	α-helix	trans	-63	-36.8	179	-160.1	-173.8	0	0	0	112.3	L43 F46 P47 L48 I98 H99 L101 K107	L43-H103 PolarHBondContact O-NE2 3.5Å; F46-H103 PolarHBondContact O-CE1 2.92Å; F46-H103 PolarHBondContact O-NE2 2.8Å; P47-H103 PolarHBondContact O-CE1 3.06Å; P47-H103 VanDerWaalsContact O-CE1 3.26Å; L48-H103 HydrophobicContact CD2-CB 3.76Å; L48-H103 WeakPolarHBondContact CD2-ND1 3.47Å; I98-H103 HydrophobicContact CB-CB 4.01Å; I98-H103 HydrophobicContact CD1-CB 4.5Å; I98-H103 HydrophobicContact CG2-CB 3.62Å; H99-H103 PolarHBondContact O-N 2.7Å; L101-H103 VanDerWaalsContact C-N 3.33Å; L101-H103 PolarHBondContact O-N 3.47Å; H103-K107 WeakPolarHBondContact O-CB 3.16Å; H103-K107 WeakPolarHBondContact O-CG 3.26Å; H103-K107 PolarHBondContact O-N 2.75Å
104	R	90	Very high	89.4	Confident	87 Å²	87	52.5 Å²	52.5	33%	0.328	26%	0.262	S	S	.	.	H	α-helix	trans	-64	-46.8	172.7	-76.2	176.9	-174.7	-143.4	3.6	111.5	L48 T100 L101 L102 K107 M108	L48-R104 HydrophobicContact CD1-CG 4.11Å; L48-R104 HydrophobicContact CD2-CG 4.18Å; T100-R104 VanDerWaalsContact O-CG 3.3Å; T100-R104 WeakPolarHBondContact O-CG 3.43Å; T100-R104 PolarHBondContact O-N 2.87Å; L101-R104 PolarHBondContact O-N 2.94Å; L102-R104 VanDerWaalsContact C-N 3.28Å; L102-R104 PolarHBondContact O-N 3.1Å; R104-K107 PolarHBondContact O-N 3.18Å; R104-M108 WeakPolarHBondContact O-CB 3.26Å; R104-M108 WeakPolarHBondContact O-CG 3.34Å; R104-M108 PolarHBondContact O-N 3.24Å
105	V	87.8	Confident	90.4	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.03	26%	0.26	C	S	.	.	H	α-helix	trans	-57.6	-52.3	176.8	172.8	0	0	0	0	110	F21 N22 A25 L26 L101 L102 K107 M108 N109	F21-V105 HydrophobicContact CD1-CG2 4.35Å; F21-V105 HydrophobicContact CE1-CG2 4.12Å; N22-V105 HydrophobicContact CB-CG2 4.38Å; N22-V105 WeakPolarHBondContact OD1-CG2 3.32Å; A25-V105 HydrophobicContact CB-CB 4.36Å; A25-V105 HydrophobicContact CB-CG1 4.16Å; A25-V105 HydrophobicContact CB-CG2 3.98Å; L26-V105 HydrophobicContact CD2-CG1 3.95Å; L26-V105 HydrophobicContact CG-CG1 3.87Å; L101-V105 WeakPolarHBondContact O-CG2 3.35Å; L101-V105 PolarHBondContact O-N 2.81Å; L102-V105 PolarHBondContact O-N 2.62Å; L102-V105 VanDerWaalsContact O-N 3.13Å; V105-K107 VanDerWaalsContact C-N 3.34Å; V105-K107 PolarHBondContact O-N 3.43Å; V105-M108 PolarHBondContact O-N 2.95Å; V105-N109 PolarHBondContact O-N 2.84Å; V105-N109 VanDerWaalsContact O-N 3.1Å; V105-N109 PolarHBondContact O-ND2 3.41Å
106	V	89.3	Confident	91	Very high	3 Å²	3	56.3 Å²	56.3	2%	0.018	28%	0.277	C	S	.	.	H	α-helix	trans	-55.8	-45.8	178	166.6	0	0	0	0	111.7	Y40 F41 A44 L102 M108 N109 F110	Y40-V106 HydrophobicContact CD1-CG2 3.88Å; Y40-V106 HydrophobicContact CE1-CG2 3.43Å; Y40-V106 VanDerWaalsContact CE1-CG2 3.43Å; F41-V106 HydrophobicContact CD1-CG1 3.99Å; F41-V106 HydrophobicContact CD1-CG2 4.45Å; F41-V106 HydrophobicContact CE1-CG2 4.44Å; A44-V106 HydrophobicContact CB-CG1 3.74Å; L102-V106 WeakPolarHBondContact O-CG2 3.45Å; L102-V106 PolarHBondContact O-N 2.92Å; V106-M108 VanDerWaalsContact C-N 3.34Å; V106-M108 PolarHBondContact O-N 3.43Å; V106-N109 PolarHBondContact O-N 2.98Å; V106-F110 WeakPolarHBondContact O-CD2 3.1Å
107	K	91.2	Very high	91.1	Very high	27 Å²	27	61.8 Å²	61.8	12%	0.117	30%	0.3	C	S	.	.	H	α-helix	trans	-64	-36	175.9	-78.1	176.2	177.4	-73.1	0	113.4	A44 F46 L48 H103 R104 V105 N109 R115	A44-K107 HydrophobicContact CB-CG 4.25Å; A44-K107 PolarHBondContact O-NZ 3.49Å; F46-K107 WeakPolarHBondContact O-CE 3.45Å; F46-K107 PolarHBondContact O-NZ 2.9Å; L48-K107 HydrophobicContact CD2-CD 3.92Å; H103-K107 WeakPolarHBondContact O-CB 3.16Å; H103-K107 WeakPolarHBondContact O-CG 3.26Å; H103-K107 PolarHBondContact O-N 2.75Å; R104-K107 PolarHBondContact O-N 3.18Å; V105-K107 VanDerWaalsContact C-N 3.34Å; V105-K107 PolarHBondContact O-N 3.43Å; K107-N109 VanDerWaalsContact C-N 3.3Å; K107-R115 PolarHBondContact O-NH1 3.29Å
108	M	88.1	Confident	91.3	Very high	128 Å²	128	60.3 Å²	60.3	63%	0.631	30%	0.295	S	S	*	.	H	α-helix	trans	-73.6	-20.1	-179.7	-73.7	173.5	66.9	0	0	113.2	R104 V105 V106 F110	R104-M108 WeakPolarHBondContact O-CB 3.26Å; R104-M108 WeakPolarHBondContact O-CG 3.34Å; R104-M108 PolarHBondContact O-N 3.24Å; V105-M108 PolarHBondContact O-N 2.95Å; V106-M108 VanDerWaalsContact C-N 3.34Å; V106-M108 PolarHBondContact O-N 3.43Å; M108-F110 PolarHBondContact O-N 3.38Å
109	N	87.3	Confident	91.5	Very high	72 Å²	72	59.9 Å²	59.9	39%	0.385	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-9.3	176.6	-83.8	-86	0	0	0	114	F41 V105 V106 K107	F41-N109 HydrophobicContact CD1-CB 4.43Å; F41-N109 HydrophobicContact CE1-CB 3.77Å; V105-N109 PolarHBondContact O-N 2.84Å; V105-N109 VanDerWaalsContact O-N 3.1Å; V105-N109 PolarHBondContact O-ND2 3.41Å; V106-N109 PolarHBondContact O-N 2.98Å; K107-N109 VanDerWaalsContact C-N 3.3Å
110	F	87.9	Confident	92	Very high	37 Å²	37	60 Å²	60	16%	0.162	29%	0.294	C	S	.	.	S	Bend	trans	-107.2	140.1	177.8	-69.8	-80.1	0	0	0	111.4	F41 A44 V106 M108 Q114 R115 L118	F41-F110 HydrophobicContact CB-CE2 3.95Å; F41-F110 HydrophobicContact CB-CZ 3.79Å; F41-F110 AromaticContact CD1-CE2 3.84Å; F41-F110 HydrophobicContact CD1-CE2 3.84Å; F41-F110 HydrophobicContact CD1-CZ 4.29Å; F41-F110 HydrophobicContact CG-CE2 4.32Å; F41-F110 HydrophobicContact CG-CZ 4.36Å; F41-F110 WeakPolarHBondContact O-CE2 3.38Å; A44-F110 HydrophobicContact CB-CD2 3.75Å; A44-F110 HydrophobicContact CB-CE2 3.64Å; V106-F110 WeakPolarHBondContact O-CD2 3.1Å; M108-F110 PolarHBondContact O-N 3.38Å; F110-Q114 HydrophobicContact CB-CB 4.29Å; F110-Q114 HydrophobicContact CD1-CB 3.75Å; F110-R115 HydrophobicContact CB-CG 3.31Å; F110-R115 HydrophobicContact CG-CG 4.08Å; F110-R115 PolarHBondContact O-NH1 2.99Å; F110-L118 HydrophobicContact CD1-CD1 4.26Å; F110-L118 HydrophobicContact CD2-CD1 4.27Å; F110-L118 HydrophobicContact CE1-CD1 3.9Å; F110-L118 HydrophobicContact CE2-CD1 3.93Å; F110-L118 HydrophobicContact CG-CD1 4.4Å; F110-L118 HydrophobicContact CZ-CD1 3.7Å
111	E	90.7	Very high	92.5	Very high	137 Å²	137	61.6 Å²	61.6	64%	0.64	29%	0.293	S	S	*	.			trans	-69	165.1	163.1	-63.2	-173	164.2	0	0	110.8	E113 Q114 R115	E111-E113 VanDerWaalsContact C-N 3.31Å; E111-E113 PolarHBondContact O-N 2.88Å; E111-Q114 HydrophobicContact CB-CG 4.36Å; E111-Q114 PolarHBondContact O-N 2.84Å; E111-R115 PolarHBondContact O-N 2.8Å; E111-R115 VanDerWaalsContact O-N 3.07Å
112	A	90.6	Very high	93	Very high	68 Å²	68	59 Å²	59	56%	0.562	28%	0.28	S	S	*	.	H	α-helix	trans	-57.9	-44.3	-178.7	0	0	0	0	0	112.2	R115 Q116	A112-R115 PolarHBondContact O-N 3.16Å; A112-Q116 PolarHBondContact O-N 3.47Å
113	E	94.3	Very high	93.5	Very high	109 Å²	109	58.4 Å²	58.4	51%	0.509	28%	0.277	S	S	.	.	H	α-helix	trans	-66.1	-41.1	-179.5	-166.7	-167.9	145.9	0	0	112.2	E111 R115 Q116 K117	E111-E113 VanDerWaalsContact C-N 3.31Å; E111-E113 PolarHBondContact O-N 2.88Å; E113-R115 VanDerWaalsContact C-N 3.35Å; E113-R115 PolarHBondContact O-N 3.08Å; E113-Q116 WeakPolarHBondContact O-CB 3.33Å; E113-Q116 PolarHBondContact O-N 3.39Å; E113-K117 PolarHBondContact O-N 3.28Å; E113-K117 WeakPolarHBondContact OE1-CE 3.46Å; E113-K117 IonicContact OE1-NZ 2.67Å; E113-K117 PolarHBondContact OE1-NZ 3.41Å
114	Q	94.9	Very high	93.7	Very high	88 Å²	88	60.6 Å²	60.6	41%	0.411	30%	0.295	S	S	.	.	H	α-helix	trans	-63.9	-42.3	177.7	-63.4	171.5	-33.9	0	0	111	F110 E111 Q116 K117 L118	F110-Q114 HydrophobicContact CB-CB 4.29Å; F110-Q114 HydrophobicContact CD1-CB 3.75Å; E111-Q114 HydrophobicContact CB-CG 4.36Å; E111-Q114 PolarHBondContact O-N 2.84Å; Q114-Q116 VanDerWaalsContact C-N 3.33Å; Q114-Q116 PolarHBondContact O-N 3.05Å; Q114-K117 PolarHBondContact O-N 3.11Å; Q114-L118 PolarHBondContact O-N 3.35Å; Q114-L118 VanDerWaalsContact O-N 3.07Å
115	R	94.4	Very high	94.1	Very high	61 Å²	61	56.6 Å²	56.6	23%	0.23	28%	0.281	C	S	.	.	H	α-helix	trans	-63.1	-41.2	174	-68.5	-167.2	-65.8	-98.1	-14.4	111.9	K107 F110 E111 A112 E113 K117 L118 H119	K107-R115 PolarHBondContact O-NH1 3.29Å; F110-R115 HydrophobicContact CB-CG 3.31Å; F110-R115 HydrophobicContact CG-CG 4.08Å; F110-R115 PolarHBondContact O-NH1 2.99Å; E111-R115 PolarHBondContact O-N 2.8Å; E111-R115 VanDerWaalsContact O-N 3.07Å; A112-R115 PolarHBondContact O-N 3.16Å; E113-R115 VanDerWaalsContact C-N 3.35Å; E113-R115 PolarHBondContact O-N 3.08Å; R115-K117 VanDerWaalsContact C-N 3.29Å; R115-K117 PolarHBondContact O-N 2.79Å; R115-L118 WeakPolarHBondContact O-CB 3.39Å; R115-L118 PolarHBondContact O-N 3.37Å; R115-L118 VanDerWaalsContact O-N 3.11Å; R115-H119 PolarHBondContact O-CD2 3.35Å; R115-H119 PolarHBondContact O-N 3.38Å; R115-H119 VanDerWaalsContact O-N 3.07Å
116	Q	97.3	Very high	94.6	Very high	76 Å²	76	56.5 Å²	56.5	36%	0.355	28%	0.28	S	S	.	.	H	α-helix	trans	-57.4	-45.1	176.9	-172.1	180	-20	0	0	110.9	A112 E113 Q114 L118 H119 Q120 S154	A112-Q116 PolarHBondContact O-N 3.47Å; E113-Q116 WeakPolarHBondContact O-CB 3.33Å; E113-Q116 PolarHBondContact O-N 3.39Å; Q114-Q116 VanDerWaalsContact C-N 3.33Å; Q114-Q116 PolarHBondContact O-N 3.05Å; Q116-L118 VanDerWaalsContact C-N 3.33Å; Q116-L118 PolarHBondContact O-N 3.12Å; Q116-H119 PolarHBondContact O-N 3.31Å; Q116-H119 VanDerWaalsContact O-N 3.15Å; Q116-Q120 WeakPolarHBondContact O-CG 3.48Å; Q116-Q120 PolarHBondContact O-N 3.44Å; Q116-S154 VanDerWaalsContact CG-C 3.5Å; Q116-S154 WeakPolarHBondContact CG-O 3.45Å; Q116-S154 PolarHBondContact NE2-O 3.19Å
117	K	97.5	Very high	95	Very high	115 Å²	115	58.6 Å²	58.6	50%	0.5	29%	0.291	S	S	.	.	H	α-helix	trans	-60.5	-37.5	174.5	-73.7	170.5	170.5	163.2	0	112.9	E113 Q114 R115 Q120 R121	E113-K117 PolarHBondContact O-N 3.28Å; E113-K117 WeakPolarHBondContact OE1-CE 3.46Å; E113-K117 IonicContact OE1-NZ 2.67Å; E113-K117 PolarHBondContact OE1-NZ 3.41Å; Q114-K117 PolarHBondContact O-N 3.11Å; R115-K117 VanDerWaalsContact C-N 3.29Å; R115-K117 PolarHBondContact O-N 2.79Å; K117-Q120 PolarHBondContact O-N 3.01Å; K117-R121 PolarHBondContact O-N 3.41Å
118	L	97.5	Very high	95.2	Very high	14 Å²	14	62.4 Å²	62.4	7%	0.073	32%	0.317	C	S	.	.	H	α-helix	trans	-61.9	-43	173.4	-66.8	177.3	0	0	0	112.2	A44 V45 Y60 F110 Q114 R115 Q116 R121 F122	A44-L118 HydrophobicContact CB-CD1 4.15Å; V45-L118 HydrophobicContact CG2-CB 4.48Å; Y60-L118 PolarHBondContact OH-O 3.26Å; F110-L118 HydrophobicContact CD1-CD1 4.26Å; F110-L118 HydrophobicContact CD2-CD1 4.27Å; F110-L118 HydrophobicContact CE1-CD1 3.9Å; F110-L118 HydrophobicContact CE2-CD1 3.93Å; F110-L118 HydrophobicContact CG-CD1 4.4Å; F110-L118 HydrophobicContact CZ-CD1 3.7Å; Q114-L118 PolarHBondContact O-N 3.35Å; Q114-L118 VanDerWaalsContact O-N 3.07Å; R115-L118 WeakPolarHBondContact O-CB 3.39Å; R115-L118 PolarHBondContact O-N 3.37Å; R115-L118 VanDerWaalsContact O-N 3.11Å; Q116-L118 VanDerWaalsContact C-N 3.33Å; Q116-L118 PolarHBondContact O-N 3.12Å; L118-R121 PolarHBondContact O-N 2.9Å; L118-F122 WeakPolarHBondContact O-CB 3.22Å; L118-F122 PolarHBondContact O-N 3.01Å
119	H	98.3	Very high	95.7	Very high	2 Å²	2	62.4 Å²	62.4	1%	0.009	31%	0.31	C	S	.	.	H	α-helix	trans	-65	-39.9	176	-74.5	-82.8	0	0	0	112	V45 R115 Q116 F122 L123 Y149 H150 R153	V45-H119 HydrophobicContact CG2-CB 4.29Å; V45-H119 VanDerWaalsContact CG2-ND1 3.32Å; V45-H119 WeakPolarHBondContact CG2-ND1 3.39Å; V45-H119 PolarHBondContact O-CE1 3.39Å; R115-H119 PolarHBondContact O-CD2 3.35Å; R115-H119 PolarHBondContact O-N 3.38Å; R115-H119 VanDerWaalsContact O-N 3.07Å; Q116-H119 PolarHBondContact O-N 3.31Å; Q116-H119 VanDerWaalsContact O-N 3.15Å; H119-F122 PolarHBondContact O-N 3.42Å; H119-L123 WeakPolarHBondContact O-CG 3.4Å; H119-L123 PolarHBondContact O-N 3.07Å; H119-Y149 AromaticContact CE1-CE1 3.52Å; H119-Y149 AromaticContact CE1-CZ 3.86Å; H119-H150 AromaticContact CE1-ND1 3.71Å; H119-H150 AromaticContact ND1-CE1 3.89Å; H119-H150 AromaticContact ND1-CG 3.8Å; H119-H150 AromaticContact ND1-ND1 3.05Å; H119-H150 PolarHBondContact ND1-ND1 3.27Å; H119-R153 VanDerWaalsContact CD2-CB 3.49Å; H119-R153 WeakPolarHBondContact CD2-CB 3.4Å; H119-R153 WeakPolarHBondContact NE2-CB 3.27Å
120	Q	98.4	Very high	96.1	Very high	89 Å²	89	59 Å²	59	42%	0.416	29%	0.292	S	S	.	.	H	α-helix	trans	-62.3	-47.7	175.7	-69.4	170.9	-10.3	0	0	111.5	Q116 K117 F122 L123 A124 S154	Q116-Q120 WeakPolarHBondContact O-CG 3.48Å; Q116-Q120 PolarHBondContact O-N 3.44Å; K117-Q120 PolarHBondContact O-N 3.01Å; Q120-F122 VanDerWaalsContact C-N 3.32Å; Q120-F122 PolarHBondContact O-N 3.21Å; Q120-L123 PolarHBondContact O-N 3.38Å; Q120-A124 WeakPolarHBondContact O-CB 3.4Å; Q120-A124 PolarHBondContact O-N 2.95Å; Q120-S154 PolarHBondContact NE2-O 3.16Å
121	R	98.2	Very high	96.5	Very high	95 Å²	95	63.7 Å²	63.7	36%	0.358	32%	0.318	S	S	.	.	H	α-helix	trans	-61.3	-41.2	176.4	-168.4	-176.5	70.9	-153.1	-6.3	111.9	D42 Y60 K117 L118 A124 G125	D42-R121 IonicContact OD1-CZ 3.78Å; D42-R121 IonicContact OD1-NH1 2.7Å; D42-R121 IonicContact OD1-NH2 2.92Å; D42-R121 PolarHBondContact OD1-NH2 3.33Å; D42-R121 IonicContact OD2-CZ 2.69Å; D42-R121 IonicContact OD2-NH2 3.6Å; D42-R121 PolarHBondContact OD2-NH2 3.33Å; Y60-R121 VanDerWaalsContact CZ-NH2 3.33Å; Y60-R121 PolarHBondContact OH-NH2 2.95Å; Y60-R121 VanDerWaalsContact OH-NH2 3.1Å; K117-R121 PolarHBondContact O-N 3.41Å; L118-R121 PolarHBondContact O-N 2.9Å; R121-A124 PolarHBondContact O-N 3.36Å; R121-G125 PolarHBondContact O-N 3.2Å; R121-G125 VanDerWaalsContact O-N 3.07Å
122	F	98.4	Very high	96.7	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-58.8	-48.8	176.6	176.5	-95.4	0	0	0	112	V45 F46 V56 Y60 L118 H119 Q120 G125 Y126 Y142 I143 H150	V45-F122 HydrophobicContact CG1-CD2 4.3Å; V45-F122 HydrophobicContact CG2-CB 4.15Å; V45-F122 HydrophobicContact CG2-CG 4.42Å; F46-F122 HydrophobicContact CE1-CE2 4.24Å; F46-F122 HydrophobicContact CZ-CE2 4.25Å; V56-F122 HydrophobicContact CG1-CE2 3.71Å; V56-F122 HydrophobicContact CG1-CZ 3.95Å; Y60-F122 AromaticContact CD1-CD2 3.97Å; Y60-F122 HydrophobicContact CD1-CD2 3.97Å; Y60-F122 HydrophobicContact CD2-CB 3.89Å; Y60-F122 AromaticContact CD2-CD2 3.71Å; Y60-F122 HydrophobicContact CD2-CD2 3.71Å; Y60-F122 HydrophobicContact CD2-CG 4.28Å; Y60-F122 HydrophobicContact CE1-CD2 4.31Å; Y60-F122 HydrophobicContact CE2-CB 3.59Å; Y60-F122 HydrophobicContact CE2-CD2 4.09Å; Y60-F122 HydrophobicContact CE2-CG 4.36Å; Y60-F122 AromaticContact CG-CD2 3.64Å; Y60-F122 HydrophobicContact CG-CD2 3.64Å; Y60-F122 HydrophobicContact CG-CE2 4.36Å; L118-F122 WeakPolarHBondContact O-CB 3.22Å; L118-F122 PolarHBondContact O-N 3.01Å; H119-F122 PolarHBondContact O-N 3.42Å; Q120-F122 VanDerWaalsContact C-N 3.32Å; Q120-F122 PolarHBondContact O-N 3.21Å; F122-G125 PolarHBondContact O-N 3.08Å; F122-Y126 HydrophobicContact CE1-CD2 4.12Å; F122-Y126 HydrophobicContact CE1-CE2 4.09Å; F122-Y126 HydrophobicContact CE2-CD2 4.32Å; F122-Y126 AromaticContact CE2-CE2 3.8Å; F122-Y126 HydrophobicContact CE2-CE2 3.8Å; F122-Y126 AromaticContact CZ-CD2 3.97Å; F122-Y126 HydrophobicContact CZ-CD2 3.97Å; F122-Y126 AromaticContact CZ-CE2 3.49Å; F122-Y126 HydrophobicContact CZ-CE2 3.49Å; F122-Y126 VanDerWaalsContact CZ-CE2 3.49Å; F122-Y126 PolarHBondContact O-N 3.24Å; F122-Y142 HydrophobicContact CE1-CE1 4.32Å; F122-Y142 HydrophobicContact CZ-CD1 4.18Å; F122-Y142 AromaticContact CZ-CE1 3.73Å; F122-Y142 HydrophobicContact CZ-CE1 3.73Å; F122-I143 HydrophobicContact CE1-CD1 3.6Å; F122-I143 HydrophobicContact CZ-CD1 4.12Å; F122-H150 HydrophobicContact CD1-CB 4.27Å; F122-H150 AromaticContact CD1-CE1 3.64Å; F122-H150 AromaticContact CD1-CG 3.68Å; F122-H150 AromaticContact CD1-ND1 3.34Å; F122-H150 VanDerWaalsContact CD1-ND1 3.34Å; F122-H150 WeakPolarHBondContact CD1-ND1 3.39Å; F122-H150 HydrophobicContact CE1-CB 4.49Å; F122-H150 AromaticContact CE1-CD2 3.64Å; F122-H150 AromaticContact CE1-CE1 3.57Å; F122-H150 AromaticContact CE1-CG 3.7Å; F122-H150 AromaticContact CE1-ND1 3.63Å; F122-H150 AromaticContact CE1-NE2 3.59Å
123	L	98.4	Very high	97	Very high	10 Å²	10	60.3 Å²	60.3	5%	0.052	30%	0.302	C	S	.	.	H	α-helix	trans	-65.8	-39.5	178.1	-71.9	165.8	0	0	0	112.1	H119 Q120 G125 Y126 L127 W134 V147 H150 L151 S154	H119-L123 WeakPolarHBondContact O-CG 3.4Å; H119-L123 PolarHBondContact O-N 3.07Å; Q120-L123 PolarHBondContact O-N 3.38Å; L123-G125 VanDerWaalsContact C-N 3.35Å; L123-G125 PolarHBondContact O-N 2.83Å; L123-Y126 PolarHBondContact O-N 3.03Å; L123-L127 WeakPolarHBondContact O-CB 3.46Å; L123-L127 PolarHBondContact O-N 3.04Å; L123-W134 HydrophobicContact CD2-CH2 4.34Å; L123-W134 HydrophobicContact CD2-CZ3 4.28Å; L123-V147 HydrophobicContact CD2-CG2 4.38Å; L123-H150 HydrophobicContact CD1-CB 4.18Å; L123-H150 HydrophobicContact CD2-CB 3.84Å; L123-H150 HydrophobicContact CG-CB 4Å; L123-L151 HydrophobicContact CD1-CD2 3.84Å; L123-L151 HydrophobicContact CD1-CG 4.36Å; L123-L151 HydrophobicContact CD2-CD2 4.39Å; L123-L151 HydrophobicContact CD2-CG 4.48Å; L123-S154 WeakPolarHBondContact CD1-OG 3.48Å
124	A	97.9	Very high	97.1	Very high	49 Å²	49	56 Å²	56	41%	0.405	28%	0.281	S	S	.	.	H	α-helix	trans	-59.4	-44.3	177.4	0	0	0	0	0	111.8	Q120 R121 Y126 L127 T128	Q120-A124 WeakPolarHBondContact O-CB 3.4Å; Q120-A124 PolarHBondContact O-N 2.95Å; R121-A124 PolarHBondContact O-N 3.36Å; A124-Y126 VanDerWaalsContact C-N 3.26Å; A124-Y126 PolarHBondContact O-N 2.96Å; A124-L127 PolarHBondContact O-N 3.25Å; A124-T128 WeakPolarHBondContact O-CB 3.4Å; A124-T128 PolarHBondContact O-N 3.26Å; A124-T128 PolarHBondContact O-OG1 2.8Å
125	G	97.7	Very high	97.1	Very high	3 Å²	3	54.6 Å²	54.6	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-59.3	-36.1	178.4	0	0	0	0	0	113.5	V59 R121 F122 L123 R129	V59-G125 WeakPolarHBondContact CG1-O 3.4Å; R121-G125 PolarHBondContact O-N 3.2Å; R121-G125 VanDerWaalsContact O-N 3.07Å; F122-G125 PolarHBondContact O-N 3.08Å; L123-G125 VanDerWaalsContact C-N 3.35Å; L123-G125 PolarHBondContact O-N 2.83Å; G125-R129 WeakPolarHBondContact O-CG 3.46Å; G125-R129 PolarHBondContact O-NH1 3.09Å
126	Y	98.1	Very high	97.2	Very high	3 Å²	3	55.2 Å²	55.2	1%	0.012	28%	0.282	C	S	.	.	H	α-helix	trans	-73.4	-47.9	174.1	-94	-78.7	0	0	0	112.5	V56 V59 F122 L123 A124 T128 R129 A130 L137 A138 H140 I143	V56-Y126 WeakPolarHBondContact CA-OH 3.36Å; V56-Y126 HydrophobicContact CG1-CE2 4.35Å; V59-Y126 HydrophobicContact CB-CD2 4.42Å; V59-Y126 HydrophobicContact CB-CE1 4.43Å; V59-Y126 HydrophobicContact CB-CE2 4.06Å; V59-Y126 HydrophobicContact CG1-CD1 3.98Å; V59-Y126 HydrophobicContact CG1-CD2 3.56Å; V59-Y126 HydrophobicContact CG1-CE1 4.13Å; V59-Y126 HydrophobicContact CG1-CE2 3.71Å; V59-Y126 HydrophobicContact CG1-CG 3.71Å; V59-Y126 HydrophobicContact CG2-CE1 4.23Å; F122-Y126 HydrophobicContact CE1-CD2 4.12Å; F122-Y126 HydrophobicContact CE1-CE2 4.09Å; F122-Y126 HydrophobicContact CE2-CD2 4.32Å; F122-Y126 AromaticContact CE2-CE2 3.8Å; F122-Y126 HydrophobicContact CE2-CE2 3.8Å; F122-Y126 AromaticContact CZ-CD2 3.97Å; F122-Y126 HydrophobicContact CZ-CD2 3.97Å; F122-Y126 AromaticContact CZ-CE2 3.49Å; F122-Y126 HydrophobicContact CZ-CE2 3.49Å; F122-Y126 VanDerWaalsContact CZ-CE2 3.49Å; F122-Y126 PolarHBondContact O-N 3.24Å; L123-Y126 PolarHBondContact O-N 3.03Å; A124-Y126 VanDerWaalsContact C-N 3.26Å; A124-Y126 PolarHBondContact O-N 2.96Å; Y126-T128 PolarHBondContact O-N 3.23Å; Y126-R129 PolarHBondContact O-N 3.35Å; Y126-A130 WeakPolarHBondContact O-CB 3.5Å; Y126-A130 PolarHBondContact O-N 2.92Å; Y126-A130 VanDerWaalsContact O-N 3.16Å; Y126-L137 HydrophobicContact CD1-CD2 3.99Å; Y126-L137 HydrophobicContact CG-CD2 4.27Å; Y126-A138 HydrophobicContact CE1-CB 4.5Å; Y126-H140 AromaticContact CE1-ND1 3.67Å; Y126-H140 AromaticContact CZ-ND1 3.71Å; Y126-H140 PolarHBondContact OH-ND1 3.27Å; Y126-I143 HydrophobicContact CD1-CB 4.25Å; Y126-I143 HydrophobicContact CD1-CD1 4.49Å; Y126-I143 HydrophobicContact CD1-CG1 3.93Å; Y126-I143 HydrophobicContact CD1-CG2 4.19Å; Y126-I143 HydrophobicContact CD2-CD1 3.97Å; Y126-I143 HydrophobicContact CD2-CG1 4.27Å; Y126-I143 HydrophobicContact CE1-CB 3.76Å; Y126-I143 HydrophobicContact CE1-CG1 3.97Å; Y126-I143 HydrophobicContact CE1-CG2 3.66Å; Y126-I143 HydrophobicContact CE2-CB 4.34Å; Y126-I143 HydrophobicContact CE2-CD1 4.13Å; Y126-I143 HydrophobicContact CE2-CG1 4.33Å; Y126-I143 HydrophobicContact CG-CD1 4.16Å; Y126-I143 HydrophobicContact CG-CG1 4.07Å
127	L	97.1	Very high	97.2	Very high	47 Å²	47	51.6 Å²	51.6	25%	0.246	27%	0.265	C	S	.	.	H	α-helix	trans	-68.9	-35.6	-173.8	-167.4	62.9	0	0	0	112	L123 A124 R129 A130 D131 G132 W134	L123-L127 WeakPolarHBondContact O-CB 3.46Å; L123-L127 PolarHBondContact O-N 3.04Å; A124-L127 PolarHBondContact O-N 3.25Å; L127-R129 VanDerWaalsContact C-N 3.33Å; L127-R129 PolarHBondContact O-N 3.19Å; L127-A130 CarbonylContact O-C 3.44Å; L127-A130 PolarHBondContact O-N 3.28Å; L127-A130 VanDerWaalsContact O-N 3.13Å; L127-D131 PolarHBondContact O-N 3.43Å; L127-G132 VanDerWaalsContact CD1-C 3.42Å; L127-G132 PolarHBondContact O-N 3.3Å; L127-W134 HydrophobicContact CD1-CD2 4.13Å; L127-W134 HydrophobicContact CD1-CE3 4.18Å; L127-W134 HydrophobicContact CD1-CH2 4.38Å; L127-W134 HydrophobicContact CD1-CZ2 4.34Å; L127-W134 HydrophobicContact CD1-CZ3 4.31Å; L127-W134 HydrophobicContact CD2-CH2 4.38Å; L127-W134 HydrophobicContact CD2-CZ2 4.24Å
128	T	97.3	Very high	97.1	Very high	108 Å²	108	48.1 Å²	48.1	66%	0.663	26%	0.258	S	S	*	.	H	α-helix	trans	-60.7	-41.6	172.7	-63	0	0	0	0	111.7	A124 Y126 A130 D131	A124-T128 WeakPolarHBondContact O-CB 3.4Å; A124-T128 PolarHBondContact O-N 3.26Å; A124-T128 PolarHBondContact O-OG1 2.8Å; Y126-T128 PolarHBondContact O-N 3.23Å; T128-A130 PolarHBondContact O-N 2.58Å; T128-D131 PolarHBondContact O-N 3.03Å
129	R	96.9	Very high	96.9	Very high	127 Å²	127	52.2 Å²	52.2	48%	0.479	28%	0.28	S	S	.	.	H	α-helix	trans	-73	-14.8	176.9	-72.9	176.6	174.2	76.2	-0.5	113.6	V59 G125 Y126 L127	V59-R129 PolarHBondContact O-NH1 3.31Å; V59-R129 VanDerWaalsContact O-NH1 3.08Å; G125-R129 WeakPolarHBondContact O-CG 3.46Å; G125-R129 PolarHBondContact O-NH1 3.09Å; Y126-R129 PolarHBondContact O-N 3.35Å; L127-R129 VanDerWaalsContact C-N 3.33Å; L127-R129 PolarHBondContact O-N 3.19Å
130	A	96.8	Very high	96.7	Very high	1 Å²	1	54 Å²	54	1%	0.008	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	16.7	-179.9	0	0	0	0	0	112.4	Y126 L127 T128 G132 Q133 N136 L137	Y126-A130 WeakPolarHBondContact O-CB 3.5Å; Y126-A130 PolarHBondContact O-N 2.92Å; Y126-A130 VanDerWaalsContact O-N 3.16Å; L127-A130 CarbonylContact O-C 3.44Å; L127-A130 PolarHBondContact O-N 3.28Å; L127-A130 VanDerWaalsContact O-N 3.13Å; T128-A130 PolarHBondContact O-N 2.58Å; A130-G132 PolarHBondContact O-N 3.21Å; A130-G132 VanDerWaalsContact O-N 3.14Å; A130-Q133 WeakPolarHBondContact CB-O 2.78Å; A130-Q133 WeakPolarHBondContact O-CB 3.31Å; A130-Q133 PolarHBondContact O-N 3.31Å; A130-N136 HydrophobicContact CB-CB 3.95Å; A130-N136 WeakPolarHBondContact CB-O 3.48Å; A130-L137 HydrophobicContact CB-CD2 4.01Å
131	D	96.3	Very high	96.5	Very high	136 Å²	136	53.6 Å²	53.6	73%	0.727	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	35.8	-179.4	-57.9	-46.5	0	0	0	113.9	L127 T128 Q133	L127-D131 PolarHBondContact O-N 3.43Å; T128-D131 PolarHBondContact O-N 3.03Å; D131-Q133 VanDerWaalsContact C-N 3.25Å; D131-Q133 PolarHBondContact O-N 2.89Å
132	G	95.5	Very high	96.4	Very high	41 Å²	41	49.9 Å²	49.9	42%	0.423	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	1.7	-178.4	0	0	0	0	0	114.9	L127 A130	L127-G132 VanDerWaalsContact CD1-C 3.42Å; L127-G132 PolarHBondContact O-N 3.3Å; A130-G132 PolarHBondContact O-N 3.21Å; A130-G132 VanDerWaalsContact O-N 3.14Å
133	Q	96.3	Very high	96.4	Very high	92 Å²	92	49.9 Å²	49.9	43%	0.43	28%	0.278	S	S	.	.			trans	-111.1	118.4	-171.8	-63	-62	-29.7	0	0	112.3	A130 D131 H135 N136	A130-Q133 WeakPolarHBondContact CB-O 2.78Å; A130-Q133 WeakPolarHBondContact O-CB 3.31Å; A130-Q133 PolarHBondContact O-N 3.31Å; D131-Q133 VanDerWaalsContact C-N 3.25Å; D131-Q133 PolarHBondContact O-N 2.89Å; Q133-H135 VanDerWaalsContact C-N 3.27Å; Q133-H135 PolarHBondContact O-N 2.72Å; Q133-H135 PolarHBondContact OE1-CE1 3.04Å; Q133-N136 HydrophobicContact CB-CB 4.13Å; Q133-N136 PolarHBondContact O-N 3.45Å
134	W	96.3	Very high	96.3	Very high	20 Å²	20	49.4 Å²	49.4	8%	0.076	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-59.6	-33	-178.7	-62.9	111.8	0	0	0	114.2	L123 L127 N136 L137 V147 L151 A159 V163 F169	L123-W134 HydrophobicContact CD2-CH2 4.34Å; L123-W134 HydrophobicContact CD2-CZ3 4.28Å; L127-W134 HydrophobicContact CD1-CD2 4.13Å; L127-W134 HydrophobicContact CD1-CE3 4.18Å; L127-W134 HydrophobicContact CD1-CH2 4.38Å; L127-W134 HydrophobicContact CD1-CZ2 4.34Å; L127-W134 HydrophobicContact CD1-CZ3 4.31Å; L127-W134 HydrophobicContact CD2-CH2 4.38Å; L127-W134 HydrophobicContact CD2-CZ2 4.24Å; W134-N136 PolarHBondContact O-N 3.33Å; W134-L137 HydrophobicContact CE3-CD1 3.98Å; W134-L137 WeakPolarHBondContact O-CG 3.45Å; W134-L137 PolarHBondContact O-N 3.33Å; W134-V147 HydrophobicContact CE3-CG2 4.38Å; W134-V147 HydrophobicContact CZ3-CG2 4.1Å; W134-L151 HydrophobicContact CH2-CD2 3.84Å; W134-L151 HydrophobicContact CZ2-CD2 4.15Å; W134-A159 HydrophobicContact CZ2-CB 3.83Å; W134-V163 HydrophobicContact CB-CG2 4.06Å; W134-V163 HydrophobicContact CD2-CG2 3.41Å; W134-V163 VanDerWaalsContact CD2-CG2 3.41Å; W134-V163 HydrophobicContact CE3-CG2 3.77Å; W134-V163 HydrophobicContact CG-CG2 3.53Å; W134-V163 HydrophobicContact CZ2-CG2 4.44Å; W134-V163 HydrophobicContact CZ3-CG2 4.43Å; W134-F169 HydrophobicContact CB-CD2 4.44Å; W134-F169 WeakPolarHBondContact O-CD2 3.27Å
135	H	94.7	Very high	96.2	Very high	58 Å²	58	48.9 Å²	48.9	27%	0.269	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-74	-13.1	177.7	62.8	-86.7	0	0	0	113.4	Q133 F169 K172	Q133-H135 VanDerWaalsContact C-N 3.27Å; Q133-H135 PolarHBondContact O-N 2.72Å; Q133-H135 PolarHBondContact OE1-CE1 3.04Å; H135-F169 HydrophobicContact CB-CB 4.43Å; H135-K172 WeakPolarHBondContact O-CD 3.35Å; H135-K172 WeakPolarHBondContact O-CE 3.19Å; H135-K172 PolarHBondContact O-NZ 3.31Å
136	N	96.6	Very high	96.2	Very high	73 Å²	73	51.5 Å²	51.5	39%	0.39	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-95.3	6.5	176.4	-70.4	-13.1	0	0	0	113.1	A130 Q133 W134 A138	A130-N136 HydrophobicContact CB-CB 3.95Å; A130-N136 WeakPolarHBondContact CB-O 3.48Å; Q133-N136 HydrophobicContact CB-CB 4.13Å; Q133-N136 PolarHBondContact O-N 3.45Å; W134-N136 PolarHBondContact O-N 3.33Å; N136-A138 PolarHBondContact O-N 3.14Å
137	L	96.8	Very high	96.2	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	28%	0.277	C	S	.	.	S	Bend	trans	-54.6	143	173.1	-71.4	179.6	0	0	0	110.9	Y126 A130 W134 I143 F169	Y126-L137 HydrophobicContact CD1-CD2 3.99Å; Y126-L137 HydrophobicContact CG-CD2 4.27Å; A130-L137 HydrophobicContact CB-CD2 4.01Å; W134-L137 HydrophobicContact CE3-CD1 3.98Å; W134-L137 WeakPolarHBondContact O-CG 3.45Å; W134-L137 PolarHBondContact O-N 3.33Å; L137-I143 HydrophobicContact CD1-CG1 4Å; L137-F169 HydrophobicContact CD1-CD2 4.41Å; L137-F169 HydrophobicContact CD1-CE2 3.96Å
138	A	95.2	Very high	96.3	Very high	42 Å²	42	49.1 Å²	49.1	35%	0.347	27%	0.266	S	S	.	.			trans	-56.2	144.1	174	0	0	0	0	0	110.2	Y126 N136 H140 H144	Y126-A138 HydrophobicContact CE1-CB 4.5Å; N136-A138 PolarHBondContact O-N 3.14Å; A138-H140 PolarHBondContact O-N 3.34Å; A138-H144 PolarHBondContact O-CE1 3.38Å; A138-H144 VanDerWaalsContact O-CE1 3.23Å
139	D	94.8	Very high	96.3	Very high	100 Å²	100	46 Å²	46	54%	0.535	24%	0.242	S	C	.	.			trans	-75.2	42.2	-173.1	-63.7	-21.6	0	0	0	112.9	K172 L176	D139-K172 IonicContact OD1-NZ 2.71Å; D139-K172 PolarHBondContact OD1-NZ 3.37Å; D139-L176 HydrophobicContact CB-CD1 4.13Å; D139-L176 HydrophobicContact CB-CD2 4.47Å
140	H	94.1	Very high	96.4	Very high	40 Å²	40	39.9 Å²	39.9	19%	0.185	22%	0.219	C	C	.	.			trans	-80.5	121.9	173.5	-52.4	165.7	0	0	0	108.5	E55 V56 Y126 A138 Y142 I143 H144	E55-H140 PolarHBondContact O-CE1 3.23Å; E55-H140 PolarHBondContact O-ND1 3.38Å; V56-H140 HydrophobicContact CG2-CB 4.29Å; Y126-H140 AromaticContact CE1-ND1 3.67Å; Y126-H140 AromaticContact CZ-ND1 3.71Å; Y126-H140 PolarHBondContact OH-ND1 3.27Å; A138-H140 PolarHBondContact O-N 3.34Å; H140-Y142 PolarHBondContact O-N 3.45Å; H140-Y142 VanDerWaalsContact O-N 3.15Å; H140-I143 HydrophobicContact CB-CG2 4.1Å; H140-I143 WeakPolarHBondContact O-CG2 3.26Å; H140-I143 PolarHBondContact O-N 2.82Å; H140-H144 PolarHBondContact O-N 2.85Å; H140-H144 PolarHBondContact O-ND1 2.67Å; H140-H144 VanDerWaalsContact O-ND1 3.07Å
141	V	93.8	Very high	96.4	Very high	80 Å²	80	39.9 Å²	39.9	49%	0.485	22%	0.218	S	C	.	.	H	α-helix	trans	-54.2	-37.2	177.8	176.5	0	0	0	0	111.3	T145	V141-T145 VanDerWaalsContact O-CB 3.31Å; V141-T145 WeakPolarHBondContact O-CB 3.29Å; V141-T145 PolarHBondContact O-N 3.32Å; V141-T145 PolarHBondContact O-OG1 3.19Å
142	Y	95.9	Very high	96.5	Very high	16 Å²	16	37.9 Å²	37.9	6%	0.063	20%	0.203	C	C	.	.	H	α-helix	trans	-59.5	-52.6	179.8	179.4	-85.1	0	0	0	113.1	F46 P47 V50 V56 F122 H140 H144 T145 F146 H150	F46-Y142 AromaticContact CD1-CE1 3.94Å; F46-Y142 HydrophobicContact CD1-CE1 3.94Å; F46-Y142 AromaticContact CD1-CE2 3.61Å; F46-Y142 HydrophobicContact CD1-CE2 3.61Å; F46-Y142 AromaticContact CD1-CZ 3.3Å; F46-Y142 WeakPolarHBondContact CD1-OH 3.41Å; F46-Y142 HydrophobicContact CE1-CD1 4.34Å; F46-Y142 AromaticContact CE1-CE1 3.74Å; F46-Y142 HydrophobicContact CE1-CE1 3.74Å; F46-Y142 HydrophobicContact CE1-CE2 4.05Å; F46-Y142 AromaticContact CE1-CZ 3.6Å; P47-Y142 WeakPolarHBondContact CD-OH 3.21Å; V50-Y142 HydrophobicContact CB-CE2 4.29Å; V50-Y142 HydrophobicContact CG2-CE2 3.94Å; V56-Y142 HydrophobicContact CG1-CD1 3.83Å; V56-Y142 HydrophobicContact CG1-CE1 4.32Å; V56-Y142 HydrophobicContact CG1-CG 4.4Å; V56-Y142 HydrophobicContact CG2-CD1 4.02Å; V56-Y142 HydrophobicContact CG2-CG 3.93Å; F122-Y142 HydrophobicContact CE1-CE1 4.32Å; F122-Y142 HydrophobicContact CZ-CD1 4.18Å; F122-Y142 AromaticContact CZ-CE1 3.73Å; F122-Y142 HydrophobicContact CZ-CE1 3.73Å; H140-Y142 PolarHBondContact O-N 3.45Å; H140-Y142 VanDerWaalsContact O-N 3.15Å; Y142-H144 VanDerWaalsContact C-N 3.31Å; Y142-H144 PolarHBondContact O-N 2.93Å; Y142-T145 PolarHBondContact O-N 3.1Å; Y142-F146 AromaticContact CD2-CD2 3.67Å; Y142-F146 HydrophobicContact CD2-CD2 3.67Å; Y142-F146 HydrophobicContact CD2-CE2 4.06Å; Y142-F146 HydrophobicContact CE1-CB 4.29Å; Y142-F146 HydrophobicContact CE1-CD2 4.45Å; Y142-F146 AromaticContact CE2-CD2 3.42Å; Y142-F146 HydrophobicContact CE2-CD2 3.42Å; Y142-F146 VanDerWaalsContact CE2-CD2 3.42Å; Y142-F146 AromaticContact CE2-CE2 3.9Å; Y142-F146 HydrophobicContact CE2-CE2 3.9Å; Y142-F146 HydrophobicContact CE2-CG 4.21Å; Y142-F146 HydrophobicContact CG-CD2 4.26Å; Y142-F146 AromaticContact CZ-CD2 3.82Å; Y142-F146 PolarHBondContact O-N 3.1Å; Y142-H150 AromaticContact CE1-NE2 3.41Å; Y142-H150 WeakPolarHBondContact CE1-NE2 3.46Å; Y142-H150 AromaticContact CZ-NE2 3.5Å; Y142-H150 PolarHBondContact OH-CE1 3.09Å; Y142-H150 PolarHBondContact OH-NE2 3.49Å
143	I	97.2	Very high	96.6	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-65.2	-40.8	-175.7	-171.7	62.5	0	0	0	110	F122 Y126 L137 H140 T145 F146 V147	F122-I143 HydrophobicContact CE1-CD1 3.6Å; F122-I143 HydrophobicContact CZ-CD1 4.12Å; Y126-I143 HydrophobicContact CD1-CB 4.25Å; Y126-I143 HydrophobicContact CD1-CD1 4.49Å; Y126-I143 HydrophobicContact CD1-CG1 3.93Å; Y126-I143 HydrophobicContact CD1-CG2 4.19Å; Y126-I143 HydrophobicContact CD2-CD1 3.97Å; Y126-I143 HydrophobicContact CD2-CG1 4.27Å; Y126-I143 HydrophobicContact CE1-CB 3.76Å; Y126-I143 HydrophobicContact CE1-CG1 3.97Å; Y126-I143 HydrophobicContact CE1-CG2 3.66Å; Y126-I143 HydrophobicContact CE2-CB 4.34Å; Y126-I143 HydrophobicContact CE2-CD1 4.13Å; Y126-I143 HydrophobicContact CE2-CG1 4.33Å; Y126-I143 HydrophobicContact CG-CD1 4.16Å; Y126-I143 HydrophobicContact CG-CG1 4.07Å; L137-I143 HydrophobicContact CD1-CG1 4Å; H140-I143 HydrophobicContact CB-CG2 4.1Å; H140-I143 WeakPolarHBondContact O-CG2 3.26Å; H140-I143 PolarHBondContact O-N 2.82Å; I143-T145 VanDerWaalsContact C-N 3.32Å; I143-T145 PolarHBondContact O-N 3.38Å; I143-F146 PolarHBondContact O-N 3.5Å; I143-V147 HydrophobicContact CD1-CB 4.47Å; I143-V147 WeakPolarHBondContact O-CA 3.47Å; I143-V147 VanDerWaalsContact O-CB 3.24Å; I143-V147 WeakPolarHBondContact O-CB 3.41Å; I143-V147 PolarHBondContact O-N 3.44Å
144	H	97.3	Very high	96.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64.8	-36.6	176.7	-71	84.2	0	0	0	111.9	A138 H140 Y142 F169 K173 L176	A138-H144 PolarHBondContact O-CE1 3.38Å; A138-H144 VanDerWaalsContact O-CE1 3.23Å; H140-H144 PolarHBondContact O-N 2.85Å; H140-H144 PolarHBondContact O-ND1 2.67Å; H140-H144 VanDerWaalsContact O-ND1 3.07Å; Y142-H144 VanDerWaalsContact C-N 3.31Å; Y142-H144 PolarHBondContact O-N 2.93Å; H144-F169 AromaticContact CD2-CE2 3.64Å; H144-K173 HydrophobicContact CB-CB 4.44Å; H144-K173 HydrophobicContact CB-CG 4.39Å; H144-K173 VanDerWaalsContact O-CD 3.28Å; H144-K173 WeakPolarHBondContact O-CD 3.41Å; H144-K173 WeakPolarHBondContact O-CE 3.14Å; H144-K173 PolarHBondContact O-NZ 3.43Å; H144-L176 HydrophobicContact CB-CD1 4.38Å
145	T	96.6	Very high	96.7	Very high	38 Å²	38	37.7 Å²	37.7	23%	0.233	20%	0.2	C	C	.	.	H	α-helix	trans	-68	-44.6	176.4	-59.1	0	0	0	0	111.8	V141 Y142 I143 K173 C177	V141-T145 VanDerWaalsContact O-CB 3.31Å; V141-T145 WeakPolarHBondContact O-CB 3.29Å; V141-T145 PolarHBondContact O-N 3.32Å; V141-T145 PolarHBondContact O-OG1 3.19Å; Y142-T145 PolarHBondContact O-N 3.1Å; I143-T145 VanDerWaalsContact C-N 3.32Å; I143-T145 PolarHBondContact O-N 3.38Å; T145-K173 PolarHBondContact O-NZ 2.85Å; T145-C177 PolarHBondContact OG1-SG 3.28Å; T145-C177 VanDerWaalsContact OG1-SG 3.35Å
146	F	97.4	Very high	96.7	Very high	58 Å²	58	38.2 Å²	38.2	25%	0.254	21%	0.205	S	C	.	.	H	α-helix	trans	-112.5	7	-166.1	-65.9	-71.6	0	0	0	115.5	P47 V50 Y142 I143 G148 Y149 H150	P47-F146 HydrophobicContact CG-CD1 3.77Å; P47-F146 HydrophobicContact CG-CE1 3.9Å; P47-F146 HydrophobicContact CG-CG 4.26Å; P47-F146 HydrophobicContact CG-CZ 4.47Å; V50-F146 HydrophobicContact CB-CE2 4.47Å; V50-F146 HydrophobicContact CG1-CE1 4.31Å; V50-F146 HydrophobicContact CG1-CE2 3.89Å; V50-F146 HydrophobicContact CG1-CZ 3.63Å; Y142-F146 AromaticContact CD2-CD2 3.67Å; Y142-F146 HydrophobicContact CD2-CD2 3.67Å; Y142-F146 HydrophobicContact CD2-CE2 4.06Å; Y142-F146 HydrophobicContact CE1-CB 4.29Å; Y142-F146 HydrophobicContact CE1-CD2 4.45Å; Y142-F146 AromaticContact CE2-CD2 3.42Å; Y142-F146 HydrophobicContact CE2-CD2 3.42Å; Y142-F146 VanDerWaalsContact CE2-CD2 3.42Å; Y142-F146 AromaticContact CE2-CE2 3.9Å; Y142-F146 HydrophobicContact CE2-CE2 3.9Å; Y142-F146 HydrophobicContact CE2-CG 4.21Å; Y142-F146 HydrophobicContact CG-CD2 4.26Å; Y142-F146 AromaticContact CZ-CD2 3.82Å; Y142-F146 PolarHBondContact O-N 3.1Å; I143-F146 PolarHBondContact O-N 3.5Å; F146-G148 VanDerWaalsContact C-N 3.28Å; F146-G148 PolarHBondContact O-N 3.25Å; F146-Y149 WeakPolarHBondContact O-CA 3.33Å; F146-Y149 WeakPolarHBondContact O-CB 3.3Å; F146-Y149 PolarHBondContact O-N 3.49Å; F146-H150 PolarHBondContact O-CD2 3.45Å; F146-H150 VanDerWaalsContact O-CD2 3.24Å; F146-H150 PolarHBondContact O-N 3.27Å
147	V	97.8	Very high	96.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-53.3	-44.8	-178.7	66.4	0	0	0	0	112.2	L123 W134 I143 Y149 H150 L151 V163 F169	L123-V147 HydrophobicContact CD2-CG2 4.38Å; W134-V147 HydrophobicContact CE3-CG2 4.38Å; W134-V147 HydrophobicContact CZ3-CG2 4.1Å; I143-V147 HydrophobicContact CD1-CB 4.47Å; I143-V147 WeakPolarHBondContact O-CA 3.47Å; I143-V147 VanDerWaalsContact O-CB 3.24Å; I143-V147 WeakPolarHBondContact O-CB 3.41Å; I143-V147 PolarHBondContact O-N 3.44Å; V147-Y149 VanDerWaalsContact C-N 3.29Å; V147-Y149 PolarHBondContact O-N 2.88Å; V147-H150 PolarHBondContact O-N 3.08Å; V147-H150 VanDerWaalsContact O-N 3.11Å; V147-L151 HydrophobicContact CG2-CD1 3.97Å; V147-L151 HydrophobicContact CG2-CG 4.23Å; V147-L151 WeakPolarHBondContact O-CB 3.27Å; V147-L151 WeakPolarHBondContact O-CG 3.38Å; V147-L151 PolarHBondContact O-N 3.25Å; V147-V163 HydrophobicContact CG1-CG1 3.91Å; V147-V163 HydrophobicContact CG2-CG2 4.43Å; V147-F169 HydrophobicContact CB-CZ 4.46Å; V147-F169 HydrophobicContact CG1-CE1 4.07Å; V147-F169 HydrophobicContact CG1-CE2 4.33Å; V147-F169 HydrophobicContact CG1-CZ 3.49Å; V147-F169 VanDerWaalsContact CG1-CZ 3.49Å
148	G	98	Very high	96.6	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.6	-37.4	177.7	0	0	0	0	0	112.7	F146 L151 F152 Y164	F146-G148 VanDerWaalsContact C-N 3.28Å; F146-G148 PolarHBondContact O-N 3.25Å; G148-L151 PolarHBondContact O-N 2.89Å; G148-F152 VanDerWaalsContact O-CB 3.26Å; G148-F152 WeakPolarHBondContact O-CB 3.29Å; G148-F152 PolarHBondContact O-N 2.97Å; G148-Y164 VanDerWaalsContact CA-OH 3.27Å; G148-Y164 WeakPolarHBondContact CA-OH 3.49Å; G148-Y164 PolarHBondContact N-OH 2.91Å
149	Y	98.1	Very high	96.6	Very high	41 Å²	41	41.1 Å²	41.1	16%	0.161	22%	0.218	C	C	.	.	H	α-helix	trans	-63.6	-44.9	174.6	163.4	-94.3	0	0	0	110.8	V45 P47 H119 F146 V147 R153 Y189	V45-Y149 WeakPolarHBondContact O-CE1 3.39Å; V45-Y149 PolarHBondContact O-OH 3Å; P47-Y149 HydrophobicContact CB-CE1 4.45Å; P47-Y149 HydrophobicContact CG-CD1 3.74Å; P47-Y149 HydrophobicContact CG-CD2 4.48Å; P47-Y149 HydrophobicContact CG-CE1 3.53Å; P47-Y149 HydrophobicContact CG-CE2 4.31Å; P47-Y149 HydrophobicContact CG-CG 4.22Å; H119-Y149 AromaticContact CE1-CE1 3.52Å; H119-Y149 AromaticContact CE1-CZ 3.86Å; F146-Y149 WeakPolarHBondContact O-CA 3.33Å; F146-Y149 WeakPolarHBondContact O-CB 3.3Å; F146-Y149 PolarHBondContact O-N 3.49Å; V147-Y149 VanDerWaalsContact C-N 3.29Å; V147-Y149 PolarHBondContact O-N 2.88Å; Y149-R153 HydrophobicContact CD2-CG 3.91Å; Y149-R153 HydrophobicContact CE1-CG 4.44Å; Y149-R153 HydrophobicContact CE2-CG 3.67Å; Y149-R153 HydrophobicContact CG-CG 4.39Å; Y149-R153 VanDerWaalsContact O-CB 3.29Å; Y149-R153 WeakPolarHBondContact O-CB 3.32Å; Y149-R153 WeakPolarHBondContact O-CG 3.49Å; Y149-R153 PolarHBondContact O-N 3.23Å; Y149-Y189 VanDerWaalsContact CA-OH 3.26Å; Y149-Y189 WeakPolarHBondContact CA-OH 3.27Å; Y149-Y189 PolarHBondContact N-OH 3.27Å; Y149-Y189 VanDerWaalsContact N-OH 3.08Å
150	H	98.4	Very high	96.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-68.1	-38.6	177.7	-71.6	-85.6	0	0	0	112.4	H119 F122 L123 Y142 F146 V147 R153 S154	H119-H150 AromaticContact CE1-ND1 3.71Å; H119-H150 AromaticContact ND1-CE1 3.89Å; H119-H150 AromaticContact ND1-CG 3.8Å; H119-H150 AromaticContact ND1-ND1 3.05Å; H119-H150 PolarHBondContact ND1-ND1 3.27Å; F122-H150 HydrophobicContact CD1-CB 4.27Å; F122-H150 AromaticContact CD1-CE1 3.64Å; F122-H150 AromaticContact CD1-CG 3.68Å; F122-H150 AromaticContact CD1-ND1 3.34Å; F122-H150 VanDerWaalsContact CD1-ND1 3.34Å; F122-H150 WeakPolarHBondContact CD1-ND1 3.39Å; F122-H150 HydrophobicContact CE1-CB 4.49Å; F122-H150 AromaticContact CE1-CD2 3.64Å; F122-H150 AromaticContact CE1-CE1 3.57Å; F122-H150 AromaticContact CE1-CG 3.7Å; F122-H150 AromaticContact CE1-ND1 3.63Å; F122-H150 AromaticContact CE1-NE2 3.59Å; L123-H150 HydrophobicContact CD1-CB 4.18Å; L123-H150 HydrophobicContact CD2-CB 3.84Å; L123-H150 HydrophobicContact CG-CB 4Å; Y142-H150 AromaticContact CE1-NE2 3.41Å; Y142-H150 WeakPolarHBondContact CE1-NE2 3.46Å; Y142-H150 AromaticContact CZ-NE2 3.5Å; Y142-H150 PolarHBondContact OH-CE1 3.09Å; Y142-H150 PolarHBondContact OH-NE2 3.49Å; F146-H150 PolarHBondContact O-CD2 3.45Å; F146-H150 VanDerWaalsContact O-CD2 3.24Å; F146-H150 PolarHBondContact O-N 3.27Å; V147-H150 PolarHBondContact O-N 3.08Å; V147-H150 VanDerWaalsContact O-N 3.11Å; H150-R153 PolarHBondContact O-N 3.16Å; H150-S154 VanDerWaalsContact O-CB 3.22Å; H150-S154 WeakPolarHBondContact O-CB 3.35Å; H150-S154 PolarHBondContact O-N 3.17Å; H150-S154 PolarHBondContact O-OG 3.32Å
151	L	98.5	Very high	96.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.3	-49.9	175.5	-75.3	173.9	0	0	0	111.4	L123 W134 V147 G148 R153 S154 G155 N156 A159 L160 V163	L123-L151 HydrophobicContact CD1-CD2 3.84Å; L123-L151 HydrophobicContact CD1-CG 4.36Å; L123-L151 HydrophobicContact CD2-CD2 4.39Å; L123-L151 HydrophobicContact CD2-CG 4.48Å; W134-L151 HydrophobicContact CH2-CD2 3.84Å; W134-L151 HydrophobicContact CZ2-CD2 4.15Å; V147-L151 HydrophobicContact CG2-CD1 3.97Å; V147-L151 HydrophobicContact CG2-CG 4.23Å; V147-L151 WeakPolarHBondContact O-CB 3.27Å; V147-L151 WeakPolarHBondContact O-CG 3.38Å; V147-L151 PolarHBondContact O-N 3.25Å; G148-L151 PolarHBondContact O-N 2.89Å; L151-R153 PolarHBondContact O-N 2.68Å; L151-S154 WeakPolarHBondContact CA-OG 3.49Å; L151-S154 PolarHBondContact O-N 2.93Å; L151-S154 PolarHBondContact O-OG 3.13Å; L151-G155 PolarHBondContact O-N 3.43Å; L151-N156 HydrophobicContact CD2-CB 4.17Å; L151-N156 PolarHBondContact O-N 3.17Å; L151-N156 VanDerWaalsContact O-N 3.12Å; L151-A159 HydrophobicContact CD1-CB 4.44Å; L151-A159 HydrophobicContact CD2-CB 3.66Å; L151-L160 HydrophobicContact CB-CD2 3.71Å; L151-L160 HydrophobicContact CB-CG 4.22Å; L151-L160 HydrophobicContact CD1-CD2 3.95Å; L151-L160 HydrophobicContact CD1-CG 4.49Å; L151-V163 HydrophobicContact CD1-CB 4.33Å; L151-V163 HydrophobicContact CD1-CG2 3.78Å
152	F	98.1	Very high	97	Very high	94 Å²	94	34.9 Å²	34.9	41%	0.412	18%	0.184	S	C	.	.	H	α-helix	trans	-59.1	-46.8	176.9	-176.2	-97	0	0	0	112	G148 S154 G155 L157 Y189 F192	G148-F152 VanDerWaalsContact O-CB 3.26Å; G148-F152 WeakPolarHBondContact O-CB 3.29Å; G148-F152 PolarHBondContact O-N 2.97Å; F152-S154 VanDerWaalsContact C-N 3.31Å; F152-S154 PolarHBondContact O-N 3.38Å; F152-G155 PolarHBondContact O-N 3.1Å; F152-L157 HydrophobicContact CD2-CD2 3.68Å; F152-L157 HydrophobicContact CE2-CD2 4.25Å; F152-L157 HydrophobicContact CG-CD2 4.46Å; F152-Y189 HydrophobicContact CB-CD1 4.38Å; F152-Y189 HydrophobicContact CB-CE1 3.83Å; F152-Y189 HydrophobicContact CD2-CE1 4.47Å; F152-Y189 HydrophobicContact CG-CE1 4.23Å; F152-F192 HydrophobicContact CD2-CE2 4.19Å; F152-F192 HydrophobicContact CD2-CZ 4.36Å; F152-F192 AromaticContact CE2-CE2 3.9Å; F152-F192 HydrophobicContact CE2-CE2 3.9Å; F152-F192 AromaticContact CE2-CZ 3.73Å; F152-F192 HydrophobicContact CE2-CZ 3.73Å
153	R	97.5	Very high	97.1	Very high	105 Å²	105	34.1 Å²	34.1	40%	0.396	18%	0.181	S	C	.	.	H	α-helix	trans	-74.1	-18.9	-178	-62	-73.5	-77.4	-168.2	-4.1	113.9	H119 Y149 H150 L151 G155	H119-R153 VanDerWaalsContact CD2-CB 3.49Å; H119-R153 WeakPolarHBondContact CD2-CB 3.4Å; H119-R153 WeakPolarHBondContact NE2-CB 3.27Å; Y149-R153 HydrophobicContact CD2-CG 3.91Å; Y149-R153 HydrophobicContact CE1-CG 4.44Å; Y149-R153 HydrophobicContact CE2-CG 3.67Å; Y149-R153 HydrophobicContact CG-CG 4.39Å; Y149-R153 VanDerWaalsContact O-CB 3.29Å; Y149-R153 WeakPolarHBondContact O-CB 3.32Å; Y149-R153 WeakPolarHBondContact O-CG 3.49Å; Y149-R153 PolarHBondContact O-N 3.23Å; H150-R153 PolarHBondContact O-N 3.16Å; L151-R153 PolarHBondContact O-N 2.68Å; R153-G155 VanDerWaalsContact C-N 3.33Å
154	S	97.6	Very high	97	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.007	18%	0.181	C	C	.	.	H	α-helix	trans	-84.3	-9	172.4	65.4	0	0	0	0	113.2	Q116 Q120 L123 H150 L151 F152 N156	Q116-S154 VanDerWaalsContact CG-C 3.5Å; Q116-S154 WeakPolarHBondContact CG-O 3.45Å; Q116-S154 PolarHBondContact NE2-O 3.19Å; Q120-S154 PolarHBondContact NE2-O 3.16Å; L123-S154 WeakPolarHBondContact CD1-OG 3.48Å; H150-S154 VanDerWaalsContact O-CB 3.22Å; H150-S154 WeakPolarHBondContact O-CB 3.35Å; H150-S154 PolarHBondContact O-N 3.17Å; H150-S154 PolarHBondContact O-OG 3.32Å; L151-S154 WeakPolarHBondContact CA-OG 3.49Å; L151-S154 PolarHBondContact O-N 2.93Å; L151-S154 PolarHBondContact O-OG 3.13Å; F152-S154 VanDerWaalsContact C-N 3.31Å; F152-S154 PolarHBondContact O-N 3.38Å; S154-N156 PolarHBondContact O-N 2.77Å; S154-N156 WeakPolarHBondContact OG-CB 3.33Å; S154-N156 PolarHBondContact OG-N 3.11Å
155	G	96.5	Very high	96.9	Very high	44 Å²	44	35.5 Å²	35.5	45%	0.454	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	4.8	-172.4	0	0	0	0	0	113.7	L151 F152 R153 L157	L151-G155 PolarHBondContact O-N 3.43Å; F152-G155 PolarHBondContact O-N 3.1Å; R153-G155 VanDerWaalsContact C-N 3.33Å; G155-L157 PolarHBondContact O-N 3.25Å
156	N	95.6	Very high	96.9	Very high	69 Å²	69	35.7 Å²	35.7	37%	0.369	19%	0.188	S	C	.	.			trans	-83.7	67.5	177.5	-168.4	-4.6	0	0	0	110.6	L151 S154 V158 A159	L151-N156 HydrophobicContact CD2-CB 4.17Å; L151-N156 PolarHBondContact O-N 3.17Å; L151-N156 VanDerWaalsContact O-N 3.12Å; S154-N156 PolarHBondContact O-N 2.77Å; S154-N156 WeakPolarHBondContact OG-CB 3.33Å; S154-N156 PolarHBondContact OG-N 3.11Å; N156-V158 VanDerWaalsContact C-N 3.31Å; N156-A159 WeakPolarHBondContact ND2-CB 3.35Å; N156-A159 VanDerWaalsContact OD1-CB 3.32Å; N156-A159 WeakPolarHBondContact OD1-CB 3.42Å; N156-A159 PolarHBondContact OD1-N 3.35Å
157	L	95.7	Very high	96.7	Very high	64 Å²	64	37 Å²	37	34%	0.335	20%	0.197	S	C	.	.			trans	-70.8	-28	-177.9	-57.3	-177.5	0	0	0	112.4	F152 G155 A159 L160 F192	F152-L157 HydrophobicContact CD2-CD2 3.68Å; F152-L157 HydrophobicContact CE2-CD2 4.25Å; F152-L157 HydrophobicContact CG-CD2 4.46Å; G155-L157 PolarHBondContact O-N 3.25Å; L157-A159 PolarHBondContact O-N 3.26Å; L157-L160 HydrophobicContact CB-CD1 4.36Å; L157-L160 HydrophobicContact CD2-CD1 3.93Å; L157-L160 VanDerWaalsContact O-CB 3.27Å; L157-L160 WeakPolarHBondContact O-CB 3.48Å; L157-L160 PolarHBondContact O-N 2.75Å; L157-F192 HydrophobicContact CD1-CD1 3.99Å; L157-F192 HydrophobicContact CD1-CE1 3.97Å
158	V	93.9	Very high	96.5	Very high	111 Å²	111	38.5 Å²	38.5	67%	0.673	21%	0.213	S	C	*	.	H	α-helix	trans	-61.9	-44.5	177.8	178.1	0	0	0	0	110.6	N156 L160 A161	N156-V158 VanDerWaalsContact C-N 3.31Å; V158-L160 PolarHBondContact O-N 3.17Å; V158-L160 VanDerWaalsContact O-N 3.1Å; V158-A161 WeakPolarHBondContact O-CB 3.36Å; V158-A161 PolarHBondContact O-N 3.04Å
159	A	96.8	Very high	96.4	Very high	2 Å²	2	38.5 Å²	38.5	2%	0.017	21%	0.213	C	C	.	.	H	α-helix	trans	-67.1	-10.8	179.3	0	0	0	0	0	114.3	W134 L151 N156 L157 A161 D162 V163	W134-A159 HydrophobicContact CZ2-CB 3.83Å; L151-A159 HydrophobicContact CD1-CB 4.44Å; L151-A159 HydrophobicContact CD2-CB 3.66Å; N156-A159 WeakPolarHBondContact ND2-CB 3.35Å; N156-A159 VanDerWaalsContact OD1-CB 3.32Å; N156-A159 WeakPolarHBondContact OD1-CB 3.42Å; N156-A159 PolarHBondContact OD1-N 3.35Å; L157-A159 PolarHBondContact O-N 3.26Å; A159-A161 PolarHBondContact O-N 2.94Å; A159-D162 PolarHBondContact O-N 3.12Å; A159-V163 WeakPolarHBondContact O-CG2 3.42Å; A159-V163 PolarHBondContact O-N 2.6Å; A159-V163 VanDerWaalsContact O-N 3.07Å
160	L	97.8	Very high	96.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.5	-38.9	169	-66.1	167.1	0	0	0	110.4	L151 L157 V158 V163 Y164 Y189 F192 V193	L151-L160 HydrophobicContact CB-CD2 3.71Å; L151-L160 HydrophobicContact CB-CG 4.22Å; L151-L160 HydrophobicContact CD1-CD2 3.95Å; L151-L160 HydrophobicContact CD1-CG 4.49Å; L157-L160 HydrophobicContact CB-CD1 4.36Å; L157-L160 HydrophobicContact CD2-CD1 3.93Å; L157-L160 VanDerWaalsContact O-CB 3.27Å; L157-L160 WeakPolarHBondContact O-CB 3.48Å; L157-L160 PolarHBondContact O-N 2.75Å; V158-L160 PolarHBondContact O-N 3.17Å; V158-L160 VanDerWaalsContact O-N 3.1Å; L160-V163 PolarHBondContact O-N 3.43Å; L160-Y164 HydrophobicContact CB-CD2 4.29Å; L160-Y164 HydrophobicContact CD2-CD2 4.34Å; L160-Y164 HydrophobicContact CD2-CE2 3.79Å; L160-Y164 WeakPolarHBondContact O-CB 3.31Å; L160-Y164 WeakPolarHBondContact O-CD2 3.21Å; L160-Y164 PolarHBondContact O-N 2.89Å; L160-Y189 HydrophobicContact CD1-CD1 4.38Å; L160-Y189 HydrophobicContact CD2-CD1 4.16Å; L160-Y189 HydrophobicContact CD2-CG 4.07Å; L160-F192 HydrophobicContact CD1-CB 3.85Å; L160-F192 HydrophobicContact CD1-CD2 4.12Å; L160-F192 HydrophobicContact CD1-CG 4.09Å; L160-V193 HydrophobicContact CB-CG2 4.05Å
161	A	96.4	Very high	95.9	Very high	4 Å²	4	37 Å²	37	3%	0.033	21%	0.208	C	C	.	.	H	α-helix	trans	-67	-44.4	176.4	0	0	0	0	0	111.7	V158 A159 V163 Y164 L165 V193 A196	V158-A161 WeakPolarHBondContact O-CB 3.36Å; V158-A161 PolarHBondContact O-N 3.04Å; A159-A161 PolarHBondContact O-N 2.94Å; A161-V163 PolarHBondContact O-N 2.62Å; A161-Y164 PolarHBondContact O-N 3.38Å; A161-L165 HydrophobicContact CB-CD1 4.06Å; A161-L165 VanDerWaalsContact O-CB 3.27Å; A161-L165 WeakPolarHBondContact O-CB 3.25Å; A161-L165 WeakPolarHBondContact O-CG 3.09Å; A161-L165 PolarHBondContact O-N 3.07Å; A161-V193 HydrophobicContact CB-CG1 4.32Å; A161-A196 HydrophobicContact CB-CB 4.13Å
162	D	95.9	Very high	95.7	Very high	85 Å²	85	39.6 Å²	39.6	46%	0.455	22%	0.219	S	C	.	.	H	α-helix	trans	-58	-35	177.7	-60.1	-23.4	0	0	0	112.5	A159 N166	A159-D162 PolarHBondContact O-N 3.12Å; D162-N166 VanDerWaalsContact O-CB 3.23Å; D162-N166 WeakPolarHBondContact O-CB 3.34Å
163	V	97.2	Very high	95.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-79.8	-53.4	178.5	170	0	0	0	0	111.6	W134 V147 L151 A159 L160 A161 L165 N166 F169	W134-V163 HydrophobicContact CB-CG2 4.06Å; W134-V163 HydrophobicContact CD2-CG2 3.41Å; W134-V163 VanDerWaalsContact CD2-CG2 3.41Å; W134-V163 HydrophobicContact CE3-CG2 3.77Å; W134-V163 HydrophobicContact CG-CG2 3.53Å; W134-V163 HydrophobicContact CZ2-CG2 4.44Å; W134-V163 HydrophobicContact CZ3-CG2 4.43Å; V147-V163 HydrophobicContact CG1-CG1 3.91Å; V147-V163 HydrophobicContact CG2-CG2 4.43Å; L151-V163 HydrophobicContact CD1-CB 4.33Å; L151-V163 HydrophobicContact CD1-CG2 3.78Å; A159-V163 WeakPolarHBondContact O-CG2 3.42Å; A159-V163 PolarHBondContact O-N 2.6Å; A159-V163 VanDerWaalsContact O-N 3.07Å; L160-V163 PolarHBondContact O-N 3.43Å; A161-V163 PolarHBondContact O-N 2.62Å; V163-L165 VanDerWaalsContact C-N 3.35Å; V163-L165 PolarHBondContact O-N 2.71Å; V163-N166 PolarHBondContact O-N 3.41Å; V163-F169 HydrophobicContact CG1-CD1 3.4Å; V163-F169 VanDerWaalsContact CG1-CD1 3.4Å; V163-F169 HydrophobicContact CG1-CE1 3.25Å; V163-F169 HydrophobicContact CG1-CE2 4.41Å; V163-F169 HydrophobicContact CG1-CG 4.08Å; V163-F169 HydrophobicContact CG1-CZ 3.82Å; V163-F169 WeakPolarHBondContact O-CD1 3.28Å
164	Y	96.4	Very high	95.3	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.008	18%	0.182	C	C	.	.	H	α-helix	trans	-85.1	-5.9	-169.2	-66.5	-62.9	0	0	0	114.4	G148 L160 A161 L170 D185 F186 Y189 V193	G148-Y164 VanDerWaalsContact CA-OH 3.27Å; G148-Y164 WeakPolarHBondContact CA-OH 3.49Å; G148-Y164 PolarHBondContact N-OH 2.91Å; L160-Y164 HydrophobicContact CB-CD2 4.29Å; L160-Y164 HydrophobicContact CD2-CD2 4.34Å; L160-Y164 HydrophobicContact CD2-CE2 3.79Å; L160-Y164 WeakPolarHBondContact O-CB 3.31Å; L160-Y164 WeakPolarHBondContact O-CD2 3.21Å; L160-Y164 PolarHBondContact O-N 2.89Å; A161-Y164 PolarHBondContact O-N 3.38Å; Y164-L170 HydrophobicContact CD1-CD2 4.09Å; Y164-D185 HydrophobicContact CD1-CB 4.37Å; Y164-D185 HydrophobicContact CE1-CB 3.51Å; Y164-D185 VanDerWaalsContact CE1-OD2 3.27Å; Y164-D185 WeakPolarHBondContact CE1-OD2 3.43Å; Y164-D185 PolarHBondContact OH-OD2 3.43Å; Y164-F186 HydrophobicContact CD1-CE2 4.15Å; Y164-F186 HydrophobicContact CG-CE2 4.45Å; Y164-F186 WeakPolarHBondContact O-CZ 3.38Å; Y164-Y189 AromaticContact CE2-CD2 3.84Å; Y164-Y189 HydrophobicContact CE2-CD2 3.84Å; Y164-Y189 HydrophobicContact CE2-CG 4.26Å; Y164-Y189 AromaticContact CZ-CD2 3.93Å; Y164-V193 HydrophobicContact CD2-CG2 4.09Å
165	L	95.5	Very high	95	Very high	28 Å²	28	33.4 Å²	33.4	15%	0.147	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	1.9	169.1	-56.5	169.2	0	0	0	112.3	A161 V163 V193 H197 L200 M204	A161-L165 HydrophobicContact CB-CD1 4.06Å; A161-L165 VanDerWaalsContact O-CB 3.27Å; A161-L165 WeakPolarHBondContact O-CB 3.25Å; A161-L165 WeakPolarHBondContact O-CG 3.09Å; A161-L165 PolarHBondContact O-N 3.07Å; V163-L165 VanDerWaalsContact C-N 3.35Å; V163-L165 PolarHBondContact O-N 2.71Å; L165-V193 HydrophobicContact CD1-CG1 3.83Å; L165-V193 HydrophobicContact CD2-CG1 3.79Å; L165-V193 HydrophobicContact CG-CG1 3.69Å; L165-H197 HydrophobicContact CD1-CB 3.81Å; L165-L200 HydrophobicContact CB-CD2 4.16Å; L165-L200 HydrophobicContact CD1-CD2 3.99Å; L165-L200 HydrophobicContact CD1-CG 4.34Å; L165-L200 HydrophobicContact CD2-CD2 4.35Å; L165-L200 HydrophobicContact CD2-CG 3.92Å; L165-L200 HydrophobicContact CG-CD2 4.37Å; L165-L200 HydrophobicContact CG-CG 4.48Å; L165-M204 HydrophobicContact CD2-CB 4.23Å
166	N	95.2	Very high	94.8	Very high	42 Å²	42	34.1 Å²	34.1	23%	0.225	20%	0.197	C	C	.	.			trans	-93.4	109.3	177.3	-174	-55.8	0	0	0	111.3	D162 V163 G168 F169 L170	D162-N166 VanDerWaalsContact O-CB 3.23Å; D162-N166 WeakPolarHBondContact O-CB 3.34Å; V163-N166 PolarHBondContact O-N 3.41Å; N166-G168 VanDerWaalsContact C-N 3.3Å; N166-G168 PolarHBondContact O-N 3.15Å; N166-G168 WeakPolarHBondContact OD1-CA 3.5Å; N166-G168 PolarHBondContact OD1-N 2.68Å; N166-F169 HydrophobicContact CB-CB 4.12Å; N166-F169 PolarHBondContact O-N 2.73Å; N166-F169 PolarHBondContact OD1-N 2.96Å; N166-L170 WeakPolarHBondContact O-CG 3.41Å; N166-L170 PolarHBondContact O-N 2.67Å
167	L	93	Very high	94.7	Very high	85 Å²	85	32 Å²	32	45%	0.445	19%	0.187	S	C	.	.	H	α-helix	trans	-62	-33.4	-179.7	-69.5	176.5	0	0	0	113.7	S171 M204 L207	L167-S171 WeakPolarHBondContact O-CB 3.28Å; L167-S171 PolarHBondContact O-N 3.41Å; L167-M204 HydrophobicContact CD2-CE 3.64Å; L167-M204 HydrophobicContact CD2-SD 3.6Å; L167-M204 VanDerWaalsContact CD2-SD 3.6Å; L167-M204 HydrophobicContact CG-CE 4.09Å; L167-L207 HydrophobicContact CD2-CD2 3.9Å
168	G	93.9	Very high	94.4	Very high	32 Å²	32	30 Å²	30	33%	0.33	18%	0.181	S	C	.	.	H	α-helix	trans	-64.3	-46.2	176.7	0	0	0	0	0	111.6	N166 K172	N166-G168 VanDerWaalsContact C-N 3.3Å; N166-G168 PolarHBondContact O-N 3.15Å; N166-G168 WeakPolarHBondContact OD1-CA 3.5Å; N166-G168 PolarHBondContact OD1-N 2.68Å; G168-K172 PolarHBondContact O-N 3.37Å; G168-K172 VanDerWaalsContact O-N 3.15Å
169	F	96.3	Very high	94.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.9	-48.6	174.5	177.6	-92.8	0	0	0	111.8	W134 H135 L137 H144 V147 V163 N166 S171 K172 K173	W134-F169 HydrophobicContact CB-CD2 4.44Å; W134-F169 WeakPolarHBondContact O-CD2 3.27Å; H135-F169 HydrophobicContact CB-CB 4.43Å; L137-F169 HydrophobicContact CD1-CD2 4.41Å; L137-F169 HydrophobicContact CD1-CE2 3.96Å; H144-F169 AromaticContact CD2-CE2 3.64Å; V147-F169 HydrophobicContact CB-CZ 4.46Å; V147-F169 HydrophobicContact CG1-CE1 4.07Å; V147-F169 HydrophobicContact CG1-CE2 4.33Å; V147-F169 HydrophobicContact CG1-CZ 3.49Å; V147-F169 VanDerWaalsContact CG1-CZ 3.49Å; V163-F169 HydrophobicContact CG1-CD1 3.4Å; V163-F169 VanDerWaalsContact CG1-CD1 3.4Å; V163-F169 HydrophobicContact CG1-CE1 3.25Å; V163-F169 HydrophobicContact CG1-CE2 4.41Å; V163-F169 HydrophobicContact CG1-CG 4.08Å; V163-F169 HydrophobicContact CG1-CZ 3.82Å; V163-F169 WeakPolarHBondContact O-CD1 3.28Å; N166-F169 HydrophobicContact CB-CB 4.12Å; N166-F169 PolarHBondContact O-N 2.73Å; N166-F169 PolarHBondContact OD1-N 2.96Å; F169-S171 VanDerWaalsContact C-N 3.31Å; F169-S171 PolarHBondContact O-N 2.92Å; F169-K172 PolarHBondContact O-N 2.93Å; F169-K173 HydrophobicContact CE1-CB 4.13Å; F169-K173 HydrophobicContact CE1-CD 3.97Å; F169-K173 HydrophobicContact CZ-CB 4.33Å; F169-K173 HydrophobicContact CZ-CD 4.3Å; F169-K173 WeakPolarHBondContact O-CB 3.16Å; F169-K173 PolarHBondContact O-N 3.34Å
170	L	94.5	Very high	93.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.3	-43.4	179.9	-70.4	-177.9	0	0	0	111.6	Y164 N166 K173 I174 V182 F186 M204 L208	Y164-L170 HydrophobicContact CD1-CD2 4.09Å; N166-L170 WeakPolarHBondContact O-CG 3.41Å; N166-L170 PolarHBondContact O-N 2.67Å; L170-K173 PolarHBondContact O-N 2.78Å; L170-I174 WeakPolarHBondContact O-CG1 3.18Å; L170-I174 PolarHBondContact O-N 3.25Å; L170-V182 HydrophobicContact CD2-CG1 3.88Å; L170-V182 HydrophobicContact CD2-CG2 4.35Å; L170-F186 HydrophobicContact CD2-CE2 4.28Å; L170-M204 HydrophobicContact CD1-CE 4.46Å; L170-M204 HydrophobicContact CD1-CG 4.08Å; L170-M204 HydrophobicContact CD1-SD 3.65Å; L170-L208 HydrophobicContact CD1-CD1 4.28Å; L170-L208 HydrophobicContact CD1-CD2 4.46Å
171	S	91.6	Very high	93.5	Very high	10 Å²	10	32.1 Å²	32.1	7%	0.07	20%	0.199	C	C	.	.	H	α-helix	trans	-60.6	-48.5	178	-169.6	0	0	0	0	111.5	L167 F169 K173 I174 S175 L215 N219	L167-S171 WeakPolarHBondContact O-CB 3.28Å; L167-S171 PolarHBondContact O-N 3.41Å; F169-S171 VanDerWaalsContact C-N 3.31Å; F169-S171 PolarHBondContact O-N 2.92Å; S171-K173 PolarHBondContact O-N 3.04Å; S171-I174 PolarHBondContact O-N 3.46Å; S171-S175 PolarHBondContact O-N 3.22Å; S171-S175 PolarHBondContact O-OG 3.48Å; S171-S175 VanDerWaalsContact O-OG 3.11Å; S171-L215 PolarHBondContact OG-O 3.29Å; S171-N219 VanDerWaalsContact CB-ND2 3.3Å; S171-N219 WeakPolarHBondContact CB-ND2 3.24Å; S171-N219 VanDerWaalsContact OG-CG 3.26Å; S171-N219 PolarHBondContact OG-ND2 2.71Å
172	K	93.6	Very high	93.4	Very high	54 Å²	54	32 Å²	32	24%	0.235	20%	0.198	C	C	.	.	H	α-helix	trans	-57.4	-46.5	173.5	-76.9	-171.8	169.8	-165.9	0	112.8	H135 D139 G168 F169 I174 S175 L176	H135-K172 WeakPolarHBondContact O-CD 3.35Å; H135-K172 WeakPolarHBondContact O-CE 3.19Å; H135-K172 PolarHBondContact O-NZ 3.31Å; D139-K172 IonicContact OD1-NZ 2.71Å; D139-K172 PolarHBondContact OD1-NZ 3.37Å; G168-K172 PolarHBondContact O-N 3.37Å; G168-K172 VanDerWaalsContact O-N 3.15Å; F169-K172 PolarHBondContact O-N 2.93Å; K172-I174 VanDerWaalsContact C-N 3.33Å; K172-I174 PolarHBondContact O-N 3.07Å; K172-S175 PolarHBondContact O-N 3.23Å; K172-L176 WeakPolarHBondContact O-CB 3.17Å; K172-L176 WeakPolarHBondContact O-CG 3.43Å; K172-L176 PolarHBondContact O-N 3.16Å
173	K	94.9	Very high	93.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.1	-43.1	177.9	179.4	172.5	170.2	120.7	0	111.4	H144 T145 F169 L170 S171 L176 C177 T181 V182 D185	H144-K173 HydrophobicContact CB-CB 4.44Å; H144-K173 HydrophobicContact CB-CG 4.39Å; H144-K173 VanDerWaalsContact O-CD 3.28Å; H144-K173 WeakPolarHBondContact O-CD 3.41Å; H144-K173 WeakPolarHBondContact O-CE 3.14Å; H144-K173 PolarHBondContact O-NZ 3.43Å; T145-K173 PolarHBondContact O-NZ 2.85Å; F169-K173 HydrophobicContact CE1-CB 4.13Å; F169-K173 HydrophobicContact CE1-CD 3.97Å; F169-K173 HydrophobicContact CZ-CB 4.33Å; F169-K173 HydrophobicContact CZ-CD 4.3Å; F169-K173 WeakPolarHBondContact O-CB 3.16Å; F169-K173 PolarHBondContact O-N 3.34Å; L170-K173 PolarHBondContact O-N 2.78Å; S171-K173 PolarHBondContact O-N 3.04Å; K173-L176 PolarHBondContact O-N 3.37Å; K173-C177 HydrophobicContact CG-CB 4.45Å; K173-C177 WeakPolarHBondContact O-CA 3.47Å; K173-C177 VanDerWaalsContact O-CB 3.25Å; K173-C177 WeakPolarHBondContact O-CB 3.4Å; K173-C177 PolarHBondContact O-N 2.94Å; K173-T181 WeakPolarHBondContact CE-OG1 3.26Å; K173-V182 HydrophobicContact CB-CG2 4.26Å; K173-V182 HydrophobicContact CD-CG2 3.77Å; K173-V182 HydrophobicContact CG-CG2 3.83Å; K173-D185 VanDerWaalsContact CE-OD2 3.28Å; K173-D185 WeakPolarHBondContact CE-OD2 3.31Å; K173-D185 IonicContact NZ-OD1 2.92Å; K173-D185 IonicContact NZ-OD2 3.92Å; K173-D185 PolarHBondContact NZ-OD2 3.03Å
174	I	92.4	Very high	93	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-63.5	-44.7	177.2	-66.4	167.5	0	0	0	110.4	L170 S171 K172 L176 G178 P179 V182 L208 L215 A216	L170-I174 WeakPolarHBondContact O-CG1 3.18Å; L170-I174 PolarHBondContact O-N 3.25Å; S171-I174 PolarHBondContact O-N 3.46Å; K172-I174 VanDerWaalsContact C-N 3.33Å; K172-I174 PolarHBondContact O-N 3.07Å; I174-L176 VanDerWaalsContact C-N 3.34Å; I174-L176 PolarHBondContact O-N 3.13Å; I174-G178 WeakPolarHBondContact O-CA 3.19Å; I174-G178 PolarHBondContact O-N 3.48Å; I174-P179 HydrophobicContact CG2-CB 4.2Å; I174-V182 HydrophobicContact CD1-CG2 4.38Å; I174-V182 HydrophobicContact CG1-CB 4.37Å; I174-V182 HydrophobicContact CG1-CG2 3.62Å; I174-L208 HydrophobicContact CD1-CD2 4.13Å; I174-L215 HydrophobicContact CD1-CB 3.84Å; I174-L215 HydrophobicContact CD1-CD1 4.02Å; I174-A216 HydrophobicContact CG2-CB 3.47Å; I174-A216 VanDerWaalsContact CG2-CB 3.47Å
175	S	92.2	Very high	92.9	Very high	65 Å²	65	36.9 Å²	36.9	46%	0.455	22%	0.219	S	C	.	.	H	α-helix	trans	-63.8	-37.5	179.4	-58.5	0	0	0	0	112.8	S171 K172 A216	S171-S175 PolarHBondContact O-N 3.22Å; S171-S175 PolarHBondContact O-OG 3.48Å; S171-S175 VanDerWaalsContact O-OG 3.11Å; K172-S175 PolarHBondContact O-N 3.23Å; S175-A216 PolarHBondContact OG-O 3.23Å
176	L	92.4	Very high	92.9	Very high	60 Å²	60	36.2 Å²	36.2	31%	0.314	22%	0.215	S	C	.	.	H	α-helix	trans	-85.2	-37.4	-177.9	-69.7	171.6	0	0	0	113.9	D139 H144 K172 K173 I174	D139-L176 HydrophobicContact CB-CD1 4.13Å; D139-L176 HydrophobicContact CB-CD2 4.47Å; H144-L176 HydrophobicContact CB-CD1 4.38Å; K172-L176 WeakPolarHBondContact O-CB 3.17Å; K172-L176 WeakPolarHBondContact O-CG 3.43Å; K172-L176 PolarHBondContact O-N 3.16Å; K173-L176 PolarHBondContact O-N 3.37Å; I174-L176 VanDerWaalsContact C-N 3.34Å; I174-L176 PolarHBondContact O-N 3.13Å
177	C	92.4	Very high	92.8	Very high	25 Å²	25	40.1 Å²	40.1	17%	0.169	24%	0.241	C	C	.	.	H	α-helix	trans	-119.6	-7.3	-166.3	-52.8	0	0	0	0	113.1	T145 K173 T181	T145-C177 PolarHBondContact OG1-SG 3.28Å; T145-C177 VanDerWaalsContact OG1-SG 3.35Å; K173-C177 HydrophobicContact CG-CB 4.45Å; K173-C177 WeakPolarHBondContact O-CA 3.47Å; K173-C177 VanDerWaalsContact O-CB 3.25Å; K173-C177 WeakPolarHBondContact O-CB 3.4Å; K173-C177 PolarHBondContact O-N 2.94Å; C177-T181 HydrophobicContact CB-CG2 3.89Å; C177-T181 VanDerWaalsContact CB-OG1 3.31Å; C177-T181 WeakPolarHBondContact CB-OG1 3.15Å; C177-T181 WeakPolarHBondContact O-CG2 3.46Å
178	G	89.7	Confident	93	Very high	21 Å²	21	39.3 Å²	39.3	22%	0.216	24%	0.239	C	C	.	.			trans	80.8	156.8	-175.2	0	0	0	0	0	113.8	I174 S180 T181	I174-G178 WeakPolarHBondContact O-CA 3.19Å; I174-G178 PolarHBondContact O-N 3.48Å; G178-S180 VanDerWaalsContact C-N 3.28Å; G178-S180 PolarHBondContact O-N 3.45Å; G178-T181 PolarHBondContact O-N 3.26Å; G178-T181 PolarHBondContact O-OG1 3.45Å
179	P	89.4	Confident	93.2	Very high	44 Å²	44	38.8 Å²	38.8	29%	0.286	23%	0.227	S	C	.	.	H	α-helix	trans	-65.1	-28.2	-173.5	25	-34.4	0	0	0	113.9	I174 T181 V182 L183 C212	I174-P179 HydrophobicContact CG2-CB 4.2Å; P179-T181 PolarHBondContact O-N 2.87Å; P179-V182 PolarHBondContact O-N 3.44Å; P179-L183 PolarHBondContact O-N 2.96Å; P179-L183 VanDerWaalsContact O-N 3.1Å; P179-C212 HydrophobicContact CB-CB 3.75Å
180	S	89.2	Confident	93.1	Very high	82 Å²	82	39 Å²	39	57%	0.573	23%	0.229	S	C	*	.	H	α-helix	trans	-59.8	-32.6	178.5	55.4	0	0	0	0	112.7	G178 L183 H184	G178-S180 VanDerWaalsContact C-N 3.28Å; G178-S180 PolarHBondContact O-N 3.45Å; S180-L183 PolarHBondContact O-N 2.82Å; S180-H184 WeakPolarHBondContact O-CB 3.2Å; S180-H184 PolarHBondContact O-N 3.28Å
181	T	91.7	Very high	93.1	Very high	32 Å²	32	44.2 Å²	44.2	20%	0.196	25%	0.253	C	S	.	.	H	α-helix	trans	-70.1	-34.5	179	63.6	0	0	0	0	112.5	K173 C177 G178 P179 D185	K173-T181 WeakPolarHBondContact CE-OG1 3.26Å; C177-T181 HydrophobicContact CB-CG2 3.89Å; C177-T181 VanDerWaalsContact CB-OG1 3.31Å; C177-T181 WeakPolarHBondContact CB-OG1 3.15Å; C177-T181 WeakPolarHBondContact O-CG2 3.46Å; G178-T181 PolarHBondContact O-N 3.26Å; G178-T181 PolarHBondContact O-OG1 3.45Å; P179-T181 PolarHBondContact O-N 2.87Å; T181-D185 VanDerWaalsContact O-CG 3.29Å; T181-D185 PolarHBondContact O-N 2.83Å; T181-D185 VanDerWaalsContact O-N 3.11Å
182	V	93.6	Very high	93.4	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	27%	0.266	C	S	.	.	H	α-helix	trans	-69.9	-45.7	173.1	174.9	0	0	0	0	110.7	L170 K173 I174 P179 H184 D185 F186 L208	L170-V182 HydrophobicContact CD2-CG1 3.88Å; L170-V182 HydrophobicContact CD2-CG2 4.35Å; K173-V182 HydrophobicContact CB-CG2 4.26Å; K173-V182 HydrophobicContact CD-CG2 3.77Å; K173-V182 HydrophobicContact CG-CG2 3.83Å; I174-V182 HydrophobicContact CD1-CG2 4.38Å; I174-V182 HydrophobicContact CG1-CB 4.37Å; I174-V182 HydrophobicContact CG1-CG2 3.62Å; P179-V182 PolarHBondContact O-N 3.44Å; V182-H184 VanDerWaalsContact C-N 3.3Å; V182-H184 PolarHBondContact O-N 3.43Å; V182-D185 PolarHBondContact O-N 3.23Å; V182-D185 VanDerWaalsContact O-N 3.12Å; V182-F186 HydrophobicContact CG1-CD2 3.91Å; V182-F186 HydrophobicContact CG1-CE2 3.9Å; V182-F186 WeakPolarHBondContact O-CD2 3.46Å; V182-F186 PolarHBondContact O-N 3.24Å; V182-L208 HydrophobicContact CG1-CD1 3.72Å; V182-L208 HydrophobicContact CG1-CD2 3.92Å; V182-L208 HydrophobicContact CG1-CG 4.44Å
183	L	91.7	Very high	93.5	Very high	68 Å²	68	44.8 Å²	44.8	36%	0.356	26%	0.255	S	S	.	.	H	α-helix	trans	-60	-42.1	178.3	-66.6	175.2	0	0	0	111.7	P179 S180 F186 V187 L208	P179-L183 PolarHBondContact O-N 2.96Å; P179-L183 VanDerWaalsContact O-N 3.1Å; S180-L183 PolarHBondContact O-N 2.82Å; L183-F186 PolarHBondContact O-N 3.35Å; L183-V187 WeakPolarHBondContact O-CG2 3.36Å; L183-V187 PolarHBondContact O-N 2.87Å; L183-V187 VanDerWaalsContact O-N 3.13Å; L183-L208 HydrophobicContact CD2-CB 4.35Å
184	H	93	Very high	93.6	Very high	113 Å²	113	47.8 Å²	47.8	52%	0.523	27%	0.266	S	S	.	.	H	α-helix	trans	-59.5	-46.2	173.7	173	-87.9	0	0	0	111.8	S180 V182 F186 V187 V188	S180-H184 WeakPolarHBondContact O-CB 3.2Å; S180-H184 PolarHBondContact O-N 3.28Å; V182-H184 VanDerWaalsContact C-N 3.3Å; V182-H184 PolarHBondContact O-N 3.43Å; H184-F186 VanDerWaalsContact C-N 3.3Å; H184-F186 PolarHBondContact O-N 3.23Å; H184-V187 WeakPolarHBondContact O-CA 3.46Å; H184-V187 WeakPolarHBondContact O-CB 3.5Å; H184-V187 PolarHBondContact O-N 3.42Å; H184-V188 VanDerWaalsContact CE1-CG2 3.4Å; H184-V188 WeakPolarHBondContact CE1-CG2 3.35Å; H184-V188 WeakPolarHBondContact O-CG2 3.48Å; H184-V188 PolarHBondContact O-N 2.88Å
185	D	95.9	Very high	93.7	Very high	8 Å²	8	52.7 Å²	52.7	4%	0.043	29%	0.292	C	S	.	.	H	α-helix	trans	-63.2	-35.9	178.6	-77.1	1.8	0	0	0	112.7	Y164 K173 T181 V182 V187 V188 Y189	Y164-D185 HydrophobicContact CD1-CB 4.37Å; Y164-D185 HydrophobicContact CE1-CB 3.51Å; Y164-D185 VanDerWaalsContact CE1-OD2 3.27Å; Y164-D185 WeakPolarHBondContact CE1-OD2 3.43Å; Y164-D185 PolarHBondContact OH-OD2 3.43Å; K173-D185 VanDerWaalsContact CE-OD2 3.28Å; K173-D185 WeakPolarHBondContact CE-OD2 3.31Å; K173-D185 IonicContact NZ-OD1 2.92Å; K173-D185 IonicContact NZ-OD2 3.92Å; K173-D185 PolarHBondContact NZ-OD2 3.03Å; T181-D185 VanDerWaalsContact O-CG 3.29Å; T181-D185 PolarHBondContact O-N 2.83Å; T181-D185 VanDerWaalsContact O-N 3.11Å; V182-D185 PolarHBondContact O-N 3.23Å; V182-D185 VanDerWaalsContact O-N 3.12Å; D185-V187 VanDerWaalsContact C-N 3.27Å; D185-V187 PolarHBondContact O-N 2.91Å; D185-V188 PolarHBondContact O-N 3.45Å; D185-Y189 HydrophobicContact CB-CD2 4.06Å; D185-Y189 HydrophobicContact CB-CE2 4.41Å; D185-Y189 WeakPolarHBondContact O-CB 3.5Å; D185-Y189 WeakPolarHBondContact O-CD2 3.42Å; D185-Y189 PolarHBondContact O-N 2.94Å
186	F	94.2	Very high	93.8	Very high	14 Å²	14	52 Å²	52	6%	0.061	29%	0.291	C	S	.	.	H	α-helix	trans	-64.3	-32.4	172.9	-90.2	-115.8	0	0	0	112	Y164 L170 V182 L183 H184 G190 F201 M204 Q205 L208	Y164-F186 HydrophobicContact CD1-CE2 4.15Å; Y164-F186 HydrophobicContact CG-CE2 4.45Å; Y164-F186 WeakPolarHBondContact O-CZ 3.38Å; L170-F186 HydrophobicContact CD2-CE2 4.28Å; V182-F186 HydrophobicContact CG1-CD2 3.91Å; V182-F186 HydrophobicContact CG1-CE2 3.9Å; V182-F186 WeakPolarHBondContact O-CD2 3.46Å; V182-F186 PolarHBondContact O-N 3.24Å; L183-F186 PolarHBondContact O-N 3.35Å; H184-F186 VanDerWaalsContact C-N 3.3Å; H184-F186 PolarHBondContact O-N 3.23Å; F186-G190 WeakPolarHBondContact O-CA 3.27Å; F186-G190 PolarHBondContact O-N 3.48Å; F186-F201 HydrophobicContact CD1-CD2 4.29Å; F186-F201 AromaticContact CD1-CE2 3.42Å; F186-F201 HydrophobicContact CD1-CE2 3.42Å; F186-F201 VanDerWaalsContact CD1-CE2 3.42Å; F186-F201 AromaticContact CD1-CZ 3.67Å; F186-F201 HydrophobicContact CD1-CZ 3.67Å; F186-F201 AromaticContact CE1-CD2 3.98Å; F186-F201 HydrophobicContact CE1-CD2 3.98Å; F186-F201 AromaticContact CE1-CE2 3.55Å; F186-F201 HydrophobicContact CE1-CE2 3.55Å; F186-F201 HydrophobicContact CE1-CZ 4.17Å; F186-F201 HydrophobicContact CG-CE2 4.27Å; F186-F201 HydrophobicContact CZ-CE2 4.47Å; F186-M204 HydrophobicContact CE1-CB 4.2Å; F186-M204 HydrophobicContact CE1-CG 3.91Å; F186-M204 HydrophobicContact CZ-CB 4.33Å; F186-M204 HydrophobicContact CZ-CG 3.57Å; F186-Q205 HydrophobicContact CD1-CB 4.26Å; F186-Q205 HydrophobicContact CD1-CG 4.37Å; F186-Q205 HydrophobicContact CE1-CB 4.41Å; F186-L208 HydrophobicContact CD1-CD1 4.11Å; F186-L208 HydrophobicContact CD2-CD1 3.9Å; F186-L208 HydrophobicContact CE1-CD1 3.63Å; F186-L208 HydrophobicContact CE2-CD1 3.39Å; F186-L208 HydrophobicContact CG-CD1 4.25Å; F186-L208 HydrophobicContact CZ-CD1 3.25Å
187	V	94.2	Very high	93.9	Very high	125 Å²	125	53.6 Å²	53.6	76%	0.758	30%	0.296	S	S	*	.	H	α-helix	trans	-71.2	-43.2	172.6	173.4	0	0	0	0	111.3	L183 H184 D185	L183-V187 WeakPolarHBondContact O-CG2 3.36Å; L183-V187 PolarHBondContact O-N 2.87Å; L183-V187 VanDerWaalsContact O-N 3.13Å; H184-V187 WeakPolarHBondContact O-CA 3.46Å; H184-V187 WeakPolarHBondContact O-CB 3.5Å; H184-V187 PolarHBondContact O-N 3.42Å; D185-V187 VanDerWaalsContact C-N 3.27Å; D185-V187 PolarHBondContact O-N 2.91Å
188	V	96.6	Very high	94	Very high	67 Å²	67	55.9 Å²	55.9	41%	0.406	31%	0.311	S	S	.	.	H	α-helix	trans	-77.5	-42.7	-173.9	177.5	0	0	0	0	112.7	H184 D185	H184-V188 VanDerWaalsContact CE1-CG2 3.4Å; H184-V188 WeakPolarHBondContact CE1-CG2 3.35Å; H184-V188 WeakPolarHBondContact O-CG2 3.48Å; H184-V188 PolarHBondContact O-N 2.88Å; D185-V188 PolarHBondContact O-N 3.45Å
189	Y	97	Very high	94.3	Very high	22 Å²	22	58 Å²	58	9%	0.086	33%	0.327	C	S	.	.	H	α-helix	trans	-111.2	-7.8	-172.5	-51.8	-63.9	0	0	0	113.5	Y149 F152 L160 Y164 D185 Q191 F192 V193	Y149-Y189 VanDerWaalsContact CA-OH 3.26Å; Y149-Y189 WeakPolarHBondContact CA-OH 3.27Å; Y149-Y189 PolarHBondContact N-OH 3.27Å; Y149-Y189 VanDerWaalsContact N-OH 3.08Å; F152-Y189 HydrophobicContact CB-CD1 4.38Å; F152-Y189 HydrophobicContact CB-CE1 3.83Å; F152-Y189 HydrophobicContact CD2-CE1 4.47Å; F152-Y189 HydrophobicContact CG-CE1 4.23Å; L160-Y189 HydrophobicContact CD1-CD1 4.38Å; L160-Y189 HydrophobicContact CD2-CD1 4.16Å; L160-Y189 HydrophobicContact CD2-CG 4.07Å; Y164-Y189 AromaticContact CE2-CD2 3.84Å; Y164-Y189 HydrophobicContact CE2-CD2 3.84Å; Y164-Y189 HydrophobicContact CE2-CG 4.26Å; Y164-Y189 AromaticContact CZ-CD2 3.93Å; D185-Y189 HydrophobicContact CB-CD2 4.06Å; D185-Y189 HydrophobicContact CB-CE2 4.41Å; D185-Y189 WeakPolarHBondContact O-CB 3.5Å; D185-Y189 WeakPolarHBondContact O-CD2 3.42Å; D185-Y189 PolarHBondContact O-N 2.94Å; Y189-Q191 PolarHBondContact O-N 3.46Å; Y189-Q191 VanDerWaalsContact O-N 3.14Å; Y189-F192 PolarHBondContact O-N 3.38Å; Y189-V193 PolarHBondContact O-N 3.33Å
190	G	95	Very high	94.5	Very high	3 Å²	3	59.5 Å²	59.5	3%	0.031	33%	0.332	C	S	.	.	H	α-helix	trans	-58.8	-31.9	-170.2	0	0	0	0	0	114.4	F186 F192 V193 R194 F201	F186-G190 WeakPolarHBondContact O-CA 3.27Å; F186-G190 PolarHBondContact O-N 3.48Å; G190-F192 PolarHBondContact O-N 2.93Å; G190-V193 PolarHBondContact O-N 3.32Å; G190-R194 WeakPolarHBondContact O-CB 3.23Å; G190-R194 PolarHBondContact O-N 3.46Å; G190-F201 VanDerWaalsContact CA-CE2 3.46Å; G190-F201 VanDerWaalsContact CA-CZ 3.47Å
191	Q	95.4	Very high	94.8	Very high	110 Å²	110	55.7 Å²	55.7	51%	0.514	31%	0.305	S	S	.	.	H	α-helix	trans	-60.8	-44.4	176.2	-171.7	61.8	41.3	0	0	111.8	Y189 V193 R194 D195	Y189-Q191 PolarHBondContact O-N 3.46Å; Y189-Q191 VanDerWaalsContact O-N 3.14Å; Q191-V193 VanDerWaalsContact C-N 3.29Å; Q191-V193 PolarHBondContact O-N 3.5Å; Q191-R194 PolarHBondContact O-N 3.5Å; Q191-D195 PolarHBondContact NE2-OD1 3.43Å; Q191-D195 WeakPolarHBondContact O-CB 3.4Å; Q191-D195 PolarHBondContact O-N 3.45Å
192	F	96.3	Very high	94.8	Very high	76 Å²	76	57.5 Å²	57.5	33%	0.333	31%	0.313	S	S	.	.	H	α-helix	trans	-64	-37.3	178.6	-56.9	-76.3	0	0	0	111.9	F152 L157 L160 Y189 G190 A196	F152-F192 HydrophobicContact CD2-CE2 4.19Å; F152-F192 HydrophobicContact CD2-CZ 4.36Å; F152-F192 AromaticContact CE2-CE2 3.9Å; F152-F192 HydrophobicContact CE2-CE2 3.9Å; F152-F192 AromaticContact CE2-CZ 3.73Å; F152-F192 HydrophobicContact CE2-CZ 3.73Å; L157-F192 HydrophobicContact CD1-CD1 3.99Å; L157-F192 HydrophobicContact CD1-CE1 3.97Å; L160-F192 HydrophobicContact CD1-CB 3.85Å; L160-F192 HydrophobicContact CD1-CD2 4.12Å; L160-F192 HydrophobicContact CD1-CG 4.09Å; Y189-F192 PolarHBondContact O-N 3.38Å; G190-F192 PolarHBondContact O-N 2.93Å; F192-A196 PolarHBondContact O-N 2.94Å
193	V	96.6	Very high	94.7	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.006	34%	0.34	C	S	.	.	H	α-helix	trans	-71.5	-43.5	177.8	-176.4	0	0	0	0	111	L160 A161 Y164 L165 Y189 G190 Q191 A196 H197 F201	L160-V193 HydrophobicContact CB-CG2 4.05Å; A161-V193 HydrophobicContact CB-CG1 4.32Å; Y164-V193 HydrophobicContact CD2-CG2 4.09Å; L165-V193 HydrophobicContact CD1-CG1 3.83Å; L165-V193 HydrophobicContact CD2-CG1 3.79Å; L165-V193 HydrophobicContact CG-CG1 3.69Å; Y189-V193 PolarHBondContact O-N 3.33Å; G190-V193 PolarHBondContact O-N 3.32Å; Q191-V193 VanDerWaalsContact C-N 3.29Å; Q191-V193 PolarHBondContact O-N 3.5Å; V193-A196 PolarHBondContact O-N 2.9Å; V193-H197 PolarHBondContact O-N 3.14Å; V193-F201 HydrophobicContact CB-CD2 3.74Å; V193-F201 HydrophobicContact CB-CE2 4.08Å; V193-F201 HydrophobicContact CG1-CD2 3.57Å; V193-F201 HydrophobicContact CG1-CE2 4.28Å; V193-F201 HydrophobicContact CG1-CG 4.45Å
194	R	96.2	Very high	94.7	Very high	63 Å²	63	60.6 Å²	60.6	24%	0.238	33%	0.326	C	S	.	.	H	α-helix	trans	-62.2	-42.8	176.8	-178.8	-175.8	-74.9	-81.7	-0.2	111.5	G190 Q191 A196 H197 P198 F201 D202	G190-R194 WeakPolarHBondContact O-CB 3.23Å; G190-R194 PolarHBondContact O-N 3.46Å; Q191-R194 PolarHBondContact O-N 3.5Å; R194-A196 VanDerWaalsContact C-N 3.25Å; R194-A196 PolarHBondContact O-N 3.21Å; R194-H197 CarbonylContact O-C 3.29Å; R194-H197 VanDerWaalsContact O-C 3.29Å; R194-H197 PolarHBondContact O-N 3.37Å; R194-P198 WeakPolarHBondContact O-CA 3.47Å; R194-P198 WeakPolarHBondContact O-CD 3.4Å; R194-P198 WeakPolarHBondContact O-CG 3.45Å; R194-F201 HydrophobicContact CB-CB 4.18Å; R194-F201 HydrophobicContact CB-CD1 3.66Å; R194-F201 HydrophobicContact CB-CD2 4.49Å; R194-F201 HydrophobicContact CB-CE1 4.16Å; R194-F201 HydrophobicContact CB-CG 3.83Å; R194-F201 HydrophobicContact CG-CD1 4.02Å; R194-F201 HydrophobicContact CG-CG 4.48Å; R194-F201 VanDerWaalsContact CZ-CD1 3.49Å; R194-F201 VanDerWaalsContact NH2-CE1 3.32Å; R194-D202 IonicContact CZ-OD1 3.18Å; R194-D202 IonicContact NH1-OD1 3.17Å; R194-D202 PolarHBondContact NH1-OD1 3.36Å; R194-D202 IonicContact NH1-OD2 3.94Å; R194-D202 PolarHBondContact NH1-OD2 2.97Å; R194-D202 IonicContact NH2-OD1 3.86Å; R194-D202 PolarHBondContact NH2-OD1 3.36Å
195	D	95.7	Very high	94.5	Very high	106 Å²	106	58 Å²	58	57%	0.567	31%	0.314	S	S	*	.	H	α-helix	trans	-61.8	-36.3	178.6	-70.6	-19	0	0	0	111.6	Q191	Q191-D195 PolarHBondContact NE2-OD1 3.43Å; Q191-D195 WeakPolarHBondContact O-CB 3.4Å; Q191-D195 PolarHBondContact O-N 3.45Å
196	A	94.3	Very high	94.2	Very high	51 Å²	51	61.7 Å²	61.7	42%	0.421	33%	0.331	S	S	.	.	H	α-helix	trans	-73.5	-43.6	174.9	0	0	0	0	0	112.6	A161 F192 V193 R194	A161-A196 HydrophobicContact CB-CB 4.13Å; F192-A196 PolarHBondContact O-N 2.94Å; V193-A196 PolarHBondContact O-N 2.9Å; R194-A196 VanDerWaalsContact C-N 3.25Å; R194-A196 PolarHBondContact O-N 3.21Å
197	H	94.6	Very high	93.9	Very high	94 Å²	94	63.8 Å²	63.8	44%	0.435	34%	0.343	S	S	.	.			trans	-142.8	81.1	-176.4	-60.7	-75	0	0	0	112.7	L165 V193 R194 A199 L200 F201	L165-H197 HydrophobicContact CD1-CB 3.81Å; V193-H197 PolarHBondContact O-N 3.14Å; R194-H197 CarbonylContact O-C 3.29Å; R194-H197 VanDerWaalsContact O-C 3.29Å; R194-H197 PolarHBondContact O-N 3.37Å; H197-A199 PolarHBondContact O-N 3.34Å; H197-L200 HydrophobicContact CB-CB 4.16Å; H197-L200 PolarHBondContact O-N 3.46Å; H197-F201 VanDerWaalsContact O-CB 3.27Å; H197-F201 WeakPolarHBondContact O-CB 3.07Å; H197-F201 PolarHBondContact O-N 3.37Å
198	P	94.3	Very high	93.6	Very high	72 Å²	72	57.9 Å²	57.9	47%	0.468	31%	0.307	S	S	.	.	H	α-helix	trans	-60.6	-51.7	-170.2	-22.8	29.4	0	0	0	113.6	R194 L200 F201 D202	R194-P198 WeakPolarHBondContact O-CA 3.47Å; R194-P198 WeakPolarHBondContact O-CD 3.4Å; R194-P198 WeakPolarHBondContact O-CG 3.45Å; P198-L200 PolarHBondContact O-N 2.96Å; P198-F201 PolarHBondContact O-N 3.13Å; P198-D202 PolarHBondContact O-N 3.44Å
199	A	95	Very high	93	Very high	67 Å²	67	60.9 Å²	60.9	55%	0.554	32%	0.316	S	S	*	.	H	α-helix	trans	-66.3	-41.2	-176.3	0	0	0	0	0	112.6	H197 D202 Q203	H197-A199 PolarHBondContact O-N 3.34Å; A199-D202 PolarHBondContact O-N 3.49Å; A199-Q203 WeakPolarHBondContact O-CG 3.35Å; A199-Q203 PolarHBondContact O-N 3.11Å; A199-Q203 VanDerWaalsContact O-N 3.12Å
200	L	93.5	Very high	92.4	Very high	74 Å²	74	67.2 Å²	67.2	39%	0.387	34%	0.34	S	S	.	.	H	α-helix	trans	-70.4	-37.3	179.4	-175.8	55.7	0	0	0	111.1	L165 H197 P198 Q203 M204	L165-L200 HydrophobicContact CB-CD2 4.16Å; L165-L200 HydrophobicContact CD1-CD2 3.99Å; L165-L200 HydrophobicContact CD1-CG 4.34Å; L165-L200 HydrophobicContact CD2-CD2 4.35Å; L165-L200 HydrophobicContact CD2-CG 3.92Å; L165-L200 HydrophobicContact CG-CD2 4.37Å; L165-L200 HydrophobicContact CG-CG 4.48Å; H197-L200 HydrophobicContact CB-CB 4.16Å; H197-L200 PolarHBondContact O-N 3.46Å; P198-L200 PolarHBondContact O-N 2.96Å; L200-Q203 PolarHBondContact O-N 3.05Å; L200-M204 VanDerWaalsContact O-CB 3.31Å; L200-M204 WeakPolarHBondContact O-CB 3.47Å; L200-M204 PolarHBondContact O-N 3.3Å
201	F	95	Very high	91.7	Very high	3 Å²	3	72.5 Å²	72.5	1%	0.013	36%	0.36	C	S	.	.	H	α-helix	trans	-61.6	-44.9	173.8	-179.3	-94.7	0	0	0	111.7	F186 G190 V193 R194 H197 P198 Q203 M204 Q205	F186-F201 HydrophobicContact CD1-CD2 4.29Å; F186-F201 AromaticContact CD1-CE2 3.42Å; F186-F201 HydrophobicContact CD1-CE2 3.42Å; F186-F201 VanDerWaalsContact CD1-CE2 3.42Å; F186-F201 AromaticContact CD1-CZ 3.67Å; F186-F201 HydrophobicContact CD1-CZ 3.67Å; F186-F201 AromaticContact CE1-CD2 3.98Å; F186-F201 HydrophobicContact CE1-CD2 3.98Å; F186-F201 AromaticContact CE1-CE2 3.55Å; F186-F201 HydrophobicContact CE1-CE2 3.55Å; F186-F201 HydrophobicContact CE1-CZ 4.17Å; F186-F201 HydrophobicContact CG-CE2 4.27Å; F186-F201 HydrophobicContact CZ-CE2 4.47Å; G190-F201 VanDerWaalsContact CA-CE2 3.46Å; G190-F201 VanDerWaalsContact CA-CZ 3.47Å; V193-F201 HydrophobicContact CB-CD2 3.74Å; V193-F201 HydrophobicContact CB-CE2 4.08Å; V193-F201 HydrophobicContact CG1-CD2 3.57Å; V193-F201 HydrophobicContact CG1-CE2 4.28Å; V193-F201 HydrophobicContact CG1-CG 4.45Å; R194-F201 HydrophobicContact CB-CB 4.18Å; R194-F201 HydrophobicContact CB-CD1 3.66Å; R194-F201 HydrophobicContact CB-CD2 4.49Å; R194-F201 HydrophobicContact CB-CE1 4.16Å; R194-F201 HydrophobicContact CB-CG 3.83Å; R194-F201 HydrophobicContact CG-CD1 4.02Å; R194-F201 HydrophobicContact CG-CG 4.48Å; R194-F201 VanDerWaalsContact CZ-CD1 3.49Å; R194-F201 VanDerWaalsContact NH2-CE1 3.32Å; H197-F201 VanDerWaalsContact O-CB 3.27Å; H197-F201 WeakPolarHBondContact O-CB 3.07Å; H197-F201 PolarHBondContact O-N 3.37Å; P198-F201 PolarHBondContact O-N 3.13Å; F201-Q203 PolarHBondContact O-N 3.07Å; F201-M204 PolarHBondContact O-N 3.5Å; F201-Q205 HydrophobicContact CE1-CB 4.45Å; F201-Q205 WeakPolarHBondContact O-CB 3.42Å; F201-Q205 PolarHBondContact O-N 2.95Å
202	D	92.7	Very high	90.6	Very high	70 Å²	70	68.4 Å²	68.4	37%	0.374	34%	0.343	S	S	.	.	H	α-helix	trans	-59.9	-46.2	177.4	-80.7	-39.2	0	0	0	112.4	R194 P198 A199 M204 Q205 E206	R194-D202 IonicContact CZ-OD1 3.18Å; R194-D202 IonicContact NH1-OD1 3.17Å; R194-D202 PolarHBondContact NH1-OD1 3.36Å; R194-D202 IonicContact NH1-OD2 3.94Å; R194-D202 PolarHBondContact NH1-OD2 2.97Å; R194-D202 IonicContact NH2-OD1 3.86Å; R194-D202 PolarHBondContact NH2-OD1 3.36Å; P198-D202 PolarHBondContact O-N 3.44Å; A199-D202 PolarHBondContact O-N 3.49Å; D202-M204 VanDerWaalsContact C-N 3.34Å; D202-M204 PolarHBondContact O-N 3.44Å; D202-Q205 PolarHBondContact O-N 3.25Å; D202-E206 WeakPolarHBondContact O-CB 3.2Å; D202-E206 PolarHBondContact O-N 3.49Å
203	Q	92.4	Very high	89.2	Confident	123 Å²	123	72.3 Å²	72.3	58%	0.575	36%	0.357	S	S	*	.	H	α-helix	trans	-60.9	-43.6	175.5	-69.7	172.4	17.5	0	0	111.7	A199 L200 F201 E206 L207	A199-Q203 WeakPolarHBondContact O-CG 3.35Å; A199-Q203 PolarHBondContact O-N 3.11Å; A199-Q203 VanDerWaalsContact O-N 3.12Å; L200-Q203 PolarHBondContact O-N 3.05Å; F201-Q203 PolarHBondContact O-N 3.07Å; Q203-E206 PolarHBondContact O-N 3.41Å; Q203-L207 WeakPolarHBondContact O-CB 3.3Å; Q203-L207 PolarHBondContact O-N 2.91Å
204	M	90.7	Very high	87.9	Confident	11 Å²	11	77.1 Å²	77.1	5%	0.054	38%	0.379	C	S	.	.	H	α-helix	trans	-65.5	-41.8	179.1	-168	61.9	68.4	0	0	111.6	L165 L167 L170 F186 L200 F201 D202 L207 L208	L165-M204 HydrophobicContact CD2-CB 4.23Å; L167-M204 HydrophobicContact CD2-CE 3.64Å; L167-M204 HydrophobicContact CD2-SD 3.6Å; L167-M204 VanDerWaalsContact CD2-SD 3.6Å; L167-M204 HydrophobicContact CG-CE 4.09Å; L170-M204 HydrophobicContact CD1-CE 4.46Å; L170-M204 HydrophobicContact CD1-CG 4.08Å; L170-M204 HydrophobicContact CD1-SD 3.65Å; F186-M204 HydrophobicContact CE1-CB 4.2Å; F186-M204 HydrophobicContact CE1-CG 3.91Å; F186-M204 HydrophobicContact CZ-CB 4.33Å; F186-M204 HydrophobicContact CZ-CG 3.57Å; L200-M204 VanDerWaalsContact O-CB 3.31Å; L200-M204 WeakPolarHBondContact O-CB 3.47Å; L200-M204 PolarHBondContact O-N 3.3Å; F201-M204 PolarHBondContact O-N 3.5Å; D202-M204 VanDerWaalsContact C-N 3.34Å; D202-M204 PolarHBondContact O-N 3.44Å; M204-L207 PolarHBondContact O-N 3.36Å; M204-L207 HydrophobicContact SD-CD2 4.09Å; M204-L208 HydrophobicContact CG-CD1 4.01Å; M204-L208 WeakPolarHBondContact O-CB 3.34Å; M204-L208 VanDerWaalsContact O-CG 3.26Å; M204-L208 WeakPolarHBondContact O-CG 3.26Å; M204-L208 PolarHBondContact O-N 2.92Å
205	Q	89.4	Confident	86.3	Confident	57 Å²	57	75.6 Å²	75.6	27%	0.266	38%	0.375	S	S	.	.	H	α-helix	trans	-64.4	-43.6	177.7	-169.1	-178.5	-83.9	0	0	111.1	F186 F201 D202 L208 Q209	F186-Q205 HydrophobicContact CD1-CB 4.26Å; F186-Q205 HydrophobicContact CD1-CG 4.37Å; F186-Q205 HydrophobicContact CE1-CB 4.41Å; F201-Q205 HydrophobicContact CE1-CB 4.45Å; F201-Q205 WeakPolarHBondContact O-CB 3.42Å; F201-Q205 PolarHBondContact O-N 2.95Å; D202-Q205 PolarHBondContact O-N 3.25Å; Q205-L208 PolarHBondContact O-N 3.44Å; Q205-Q209 WeakPolarHBondContact O-CB 3.32Å; Q205-Q209 VanDerWaalsContact O-CG 3.26Å; Q205-Q209 WeakPolarHBondContact O-CG 3.38Å; Q205-Q209 PolarHBondContact O-N 2.88Å
206	E	89.3	Confident	84.7	Confident	87 Å²	87	72 Å²	72	41%	0.407	36%	0.36	S	S	.	.	H	α-helix	trans	-61.8	-45	174.9	-175.5	178.4	-175.6	0	0	111.5	D202 Q203 L208 Q209 R210	D202-E206 WeakPolarHBondContact O-CB 3.2Å; D202-E206 PolarHBondContact O-N 3.49Å; Q203-E206 PolarHBondContact O-N 3.41Å; E206-L208 PolarHBondContact O-N 2.96Å; E206-Q209 PolarHBondContact O-N 3.38Å; E206-R210 WeakPolarHBondContact O-CG 3.15Å; E206-R210 PolarHBondContact O-N 2.82Å; E206-R210 VanDerWaalsContact O-N 3.13Å; E206-R210 IonicContact OE1-CZ 2.6Å; E206-R210 IonicContact OE1-NE 2.68Å; E206-R210 IonicContact OE1-NH1 2.96Å; E206-R210 PolarHBondContact OE1-NH1 3.04Å; E206-R210 IonicContact OE1-NH2 3.08Å; E206-R210 PolarHBondContact OE1-NH2 3.12Å
207	L	88.6	Confident	83.1	Confident	58 Å²	58	73.3 Å²	73.3	30%	0.304	36%	0.36	S	S	.	.	H	α-helix	trans	-58.3	-48.5	176.4	-178.2	77	0	0	0	111.2	L167 Q203 M204 R210 Y211 L215	L167-L207 HydrophobicContact CD2-CD2 3.9Å; Q203-L207 WeakPolarHBondContact O-CB 3.3Å; Q203-L207 PolarHBondContact O-N 2.91Å; M204-L207 PolarHBondContact O-N 3.36Å; M204-L207 HydrophobicContact SD-CD2 4.09Å; L207-R210 PolarHBondContact O-N 3.15Å; L207-Y211 HydrophobicContact CD1-CD2 3.87Å; L207-Y211 WeakPolarHBondContact O-CA 3.33Å; L207-Y211 WeakPolarHBondContact O-CB 3.48Å; L207-Y211 PolarHBondContact O-N 3.46Å; L207-L215 HydrophobicContact CD2-CD1 4.46Å
208	L	86.5	Confident	81.4	Confident	1 Å²	1	73.9 Å²	73.9	1%	0.005	37%	0.366	C	S	.	.	H	α-helix	trans	-67.2	-41.7	-178.3	-72.3	167.2	0	0	0	112.1	L170 I174 V182 L183 F186 M204 Q205 E206 R210 C212 L215	L170-L208 HydrophobicContact CD1-CD1 4.28Å; L170-L208 HydrophobicContact CD1-CD2 4.46Å; I174-L208 HydrophobicContact CD1-CD2 4.13Å; V182-L208 HydrophobicContact CG1-CD1 3.72Å; V182-L208 HydrophobicContact CG1-CD2 3.92Å; V182-L208 HydrophobicContact CG1-CG 4.44Å; L183-L208 HydrophobicContact CD2-CB 4.35Å; F186-L208 HydrophobicContact CD1-CD1 4.11Å; F186-L208 HydrophobicContact CD2-CD1 3.9Å; F186-L208 HydrophobicContact CE1-CD1 3.63Å; F186-L208 HydrophobicContact CE2-CD1 3.39Å; F186-L208 HydrophobicContact CG-CD1 4.25Å; F186-L208 HydrophobicContact CZ-CD1 3.25Å; M204-L208 HydrophobicContact CG-CD1 4.01Å; M204-L208 WeakPolarHBondContact O-CB 3.34Å; M204-L208 VanDerWaalsContact O-CG 3.26Å; M204-L208 WeakPolarHBondContact O-CG 3.26Å; M204-L208 PolarHBondContact O-N 2.92Å; Q205-L208 PolarHBondContact O-N 3.44Å; E206-L208 PolarHBondContact O-N 2.96Å; L208-R210 VanDerWaalsContact C-N 3.26Å; L208-R210 PolarHBondContact O-N 3.27Å; L208-C212 WeakPolarHBondContact O-CB 3.5Å; L208-C212 PolarHBondContact O-N 2.81Å; L208-C212 PolarHBondContact O-SG 3.24Å; L208-L215 HydrophobicContact CD2-CD1 3.8Å
209	Q	83.9	Confident	79.4	Confident	129 Å²	129	74.8 Å²	74.8	60%	0.603	37%	0.367	S	S	*	.	H	α-helix	trans	-62.7	-33.3	177.6	-75.2	175.9	-6.8	0	0	112.5	Q205 E206	Q205-Q209 WeakPolarHBondContact O-CB 3.32Å; Q205-Q209 VanDerWaalsContact O-CG 3.26Å; Q205-Q209 WeakPolarHBondContact O-CG 3.38Å; Q205-Q209 PolarHBondContact O-N 2.88Å; E206-Q209 PolarHBondContact O-N 3.38Å
210	R	84.9	Confident	77.3	Confident	155 Å²	155	75 Å²	75	59%	0.585	38%	0.376	S	S	*	.	H	α-helix	trans	-91.8	-35.4	-179.1	-69.5	-176.1	-179.3	158.4	13.7	114.2	E206 L207 L208	E206-R210 WeakPolarHBondContact O-CG 3.15Å; E206-R210 PolarHBondContact O-N 2.82Å; E206-R210 VanDerWaalsContact O-N 3.13Å; E206-R210 IonicContact OE1-CZ 2.6Å; E206-R210 IonicContact OE1-NE 2.68Å; E206-R210 IonicContact OE1-NH1 2.96Å; E206-R210 PolarHBondContact OE1-NH1 3.04Å; E206-R210 IonicContact OE1-NH2 3.08Å; E206-R210 PolarHBondContact OE1-NH2 3.12Å; L207-R210 PolarHBondContact O-N 3.15Å; L208-R210 VanDerWaalsContact C-N 3.26Å; L208-R210 PolarHBondContact O-N 3.27Å
211	Y	81	Confident	74.6	Confident	114 Å²	114	84.8 Å²	84.8	45%	0.447	41%	0.408	S	S	.	.	H	α-helix	trans	-131.7	11.3	-163.4	-53.7	-76.9	0	0	0	114.6	L207 Y213 H214 L215	L207-Y211 HydrophobicContact CD1-CD2 3.87Å; L207-Y211 WeakPolarHBondContact O-CA 3.33Å; L207-Y211 WeakPolarHBondContact O-CB 3.48Å; L207-Y211 PolarHBondContact O-N 3.46Å; Y211-Y213 PolarHBondContact O-N 2.88Å; Y211-H214 AromaticContact CD1-CD2 3.87Å; Y211-H214 WeakPolarHBondContact O-CB 3.39Å; Y211-H214 PolarHBondContact O-N 2.94Å; Y211-L215 PolarHBondContact O-N 2.92Å
212	C	70.8	Confident	73.6	Confident	24 Å²	24	88.9 Å²	88.9	16%	0.162	43%	0.427	C	S	.	.	H	α-helix	trans	-51.5	-36	-179.7	56.9	0	0	0	0	113.4	P179 L208 H214 L215 A216	P179-C212 HydrophobicContact CB-CB 3.75Å; L208-C212 WeakPolarHBondContact O-CB 3.5Å; L208-C212 PolarHBondContact O-N 2.81Å; L208-C212 PolarHBondContact O-SG 3.24Å; C212-H214 PolarHBondContact O-N 3.41Å; C212-L215 PolarHBondContact O-N 2.71Å; C212-A216 PolarHBondContact O-N 2.78Å
213	Y	67.2	Low	72.6	Confident	158 Å²	158	89.9 Å²	89.9	62%	0.62	43%	0.43	S	S	*	.	H	α-helix	trans	-64	-38.1	176.1	-176.8	-102.7	0	0	0	113.1	Y211 A216 I217	Y211-Y213 PolarHBondContact O-N 2.88Å; Y213-A216 WeakPolarHBondContact O-CB 3.42Å; Y213-A216 PolarHBondContact O-N 3.22Å; Y213-I217 HydrophobicContact CD1-CD1 3.83Å; Y213-I217 HydrophobicContact CE1-CD1 3.27Å; Y213-I217 HydrophobicContact CE1-CG1 4.42Å
214	H	69.2	Low	71.5	Confident	102 Å²	102	88.1 Å²	88.1	47%	0.472	42%	0.422	S	S	.	.	H	α-helix	trans	-71.3	-32.8	179.4	-67.8	-74.2	0	0	0	112.9	Y211 C212 A216 I217 N218	Y211-H214 AromaticContact CD1-CD2 3.87Å; Y211-H214 WeakPolarHBondContact O-CB 3.39Å; Y211-H214 PolarHBondContact O-N 2.94Å; C212-H214 PolarHBondContact O-N 3.41Å; H214-A216 PolarHBondContact O-N 3.25Å; H214-I217 PolarHBondContact O-N 3.39Å; H214-N218 PolarHBondContact O-N 3.34Å
215	L	63.7	Low	70.3	Confident	31 Å²	31	92.6 Å²	92.6	16%	0.162	44%	0.444	C	S	.	.	H	α-helix	trans	-61.3	-36.3	174.4	-70.7	170.6	0	0	0	111.4	S171 I174 L207 L208 Y211 C212 I217	S171-L215 PolarHBondContact OG-O 3.29Å; I174-L215 HydrophobicContact CD1-CB 3.84Å; I174-L215 HydrophobicContact CD1-CD1 4.02Å; L207-L215 HydrophobicContact CD2-CD1 4.46Å; L208-L215 HydrophobicContact CD2-CD1 3.8Å; Y211-L215 PolarHBondContact O-N 2.92Å; C212-L215 PolarHBondContact O-N 2.71Å; L215-I217 VanDerWaalsContact C-N 3.34Å; L215-I217 PolarHBondContact O-N 3.36Å
216	A	62.3	Low	69.1	Low	30 Å²	30	94.8 Å²	94.8	25%	0.248	46%	0.455	C	S	.	.	H	α-helix	trans	-61.6	-40.3	176.7	0	0	0	0	0	113.1	I174 S175 C212 Y213 H214	I174-A216 HydrophobicContact CG2-CB 3.47Å; I174-A216 VanDerWaalsContact CG2-CB 3.47Å; S175-A216 PolarHBondContact OG-O 3.23Å; C212-A216 PolarHBondContact O-N 2.78Å; Y213-A216 WeakPolarHBondContact O-CB 3.42Å; Y213-A216 PolarHBondContact O-N 3.22Å; H214-A216 PolarHBondContact O-N 3.25Å
217	I	61	Low	67.8	Low	80 Å²	80	95.3 Å²	95.3	41%	0.41	46%	0.458	S	S	.	.	H	α-helix	trans	-79.1	-38	-171.6	-65.8	170.9	0	0	0	111.7	Y213 H214 L215 N219 G220	Y213-I217 HydrophobicContact CD1-CD1 3.83Å; Y213-I217 HydrophobicContact CE1-CD1 3.27Å; Y213-I217 HydrophobicContact CE1-CG1 4.42Å; H214-I217 PolarHBondContact O-N 3.39Å; L215-I217 VanDerWaalsContact C-N 3.34Å; L215-I217 PolarHBondContact O-N 3.36Å; I217-N219 PolarHBondContact O-N 3.2Å; I217-G220 PolarHBondContact O-N 3.44Å
218	N	58.6	Low	66.3	Low	106 Å²	106	98 Å²	98	57%	0.567	47%	0.469	S	S	*	.	H	α-helix	trans	-71.6	-12.6	-169.7	-76.2	-18.2	0	0	0	114.4	H214 G220	H214-N218 PolarHBondContact O-N 3.34Å; N218-G220 VanDerWaalsContact C-N 3.33Å
219	N	52.6	Low	64.7	Low	90 Å²	90	105.5 Å²	105.5	48%	0.481	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-1.2	179	-117	1.5	0	0	0	114.3	S171 I217	S171-N219 VanDerWaalsContact CB-ND2 3.3Å; S171-N219 WeakPolarHBondContact CB-ND2 3.24Å; S171-N219 VanDerWaalsContact OG-CG 3.26Å; S171-N219 PolarHBondContact OG-ND2 2.71Å; I217-N219 PolarHBondContact O-N 3.2Å
220	G	49.7	Very low	63.2	Low	73 Å²	73	103.5 Å²	103.5	75%	0.753	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	10	174.8	0	0	0	0	0	114.7	I217 N218	I217-G220 PolarHBondContact O-N 3.44Å; N218-G220 VanDerWaalsContact C-N 3.33Å
221	R	37	Very low	61.2	Low	279 Å²	279	98.8 Å²	98.8	100%	1.053	49%	0.489	S	S	*	.			trans	-127.3	0	179.5	-69.3	-174.4	178.6	-174.9	-0.2	110.3

Retrieved 221 of 221 residues in 46 ms (Link to these results)

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