A0A3Q0KJS9_SCHMA Loading...

alpha-1,2-Mannosidase

AlphaFold DB , UniProt , Accession A0A3Q0KJS9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 580 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	31.5	Very low	27.6	Very low	253 Å²	253	148.3 Å²	148.3	100%	1.246	84%	0.842	S	S	*	*				0	98	0	-77.1	170.9	174	0	0	107.1
2	G	26.2	Very low	27.6	Very low	67 Å²	67	147.7 Å²	147.7	69%	0.691	83%	0.832	S	S	*	*			trans	-106.2	134.9	179.2	0	0	0	0	0	109.7
3	F	30.8	Very low	27.3	Very low	214 Å²	214	147.8 Å²	147.8	94%	0.939	83%	0.83	S	S	*	*			trans	-151.1	110.4	153.4	-95.3	-76.1	0	0	0	108.5
4	A	28.1	Very low	27.4	Very low	83 Å²	83	147.4 Å²	147.4	69%	0.686	82%	0.823	S	S	*	*			trans	40.7	100.1	140.3	0	0	0	0	0	119.3
5	N	23.3	Very low	27.3	Very low	167 Å²	167	149.5 Å²	149.5	89%	0.893	82%	0.821	S	S	*	*			trans	-60.2	121.6	147	-74.4	-33.3	0	0	0	109.9
6	L	26.1	Very low	27	Very low	133 Å²	133	153.7 Å²	153.7	70%	0.696	82%	0.821	S	S	*	*			trans	-155.5	127.9	161.9	-98.6	136.4	0	0	0	111
7	F	26.5	Very low	27	Very low	192 Å²	192	150.8 Å²	150.8	84%	0.842	80%	0.804	S	S	*	*			trans	72.7	84.9	162.9	-65.8	-70.2	0	0	0	119.6
8	G	28.4	Very low	26.9	Very low	83 Å²	83	148.8 Å²	148.8	86%	0.856	79%	0.793	S	S	*	*			trans	-103.9	110.9	157.3	0	0	0	0	0	110.6
9	L	28.5	Very low	27	Very low	153 Å²	153	148.2 Å²	148.2	80%	0.801	78%	0.783	S	S	*	*			trans	-46	134.4	-177.2	-77.2	131	0	0	0	116.7	I11	L9-I11 HydrophobicContact CB-CG1 4.24Å; L9-I11 PolarHBondContact O-N 3.23Å; L9-I11 VanDerWaalsContact O-N 3.16Å
10	T	24.3	Very low	26.9	Very low	143 Å²	143	147.6 Å²	147.6	88%	0.877	78%	0.776	S	S	*	*			trans	-63	98.4	156.6	-35.1	0	0	0	0	109.2
11	I	29.9	Very low	26.9	Very low	143 Å²	143	149.5 Å²	149.5	73%	0.733	77%	0.774	S	S	*	*			trans	-103	120.6	167.8	-63.4	-179.8	0	0	0	108.5	L9 N13	L9-I11 HydrophobicContact CB-CG1 4.24Å; L9-I11 PolarHBondContact O-N 3.23Å; L9-I11 VanDerWaalsContact O-N 3.16Å; I11-N13 PolarHBondContact O-N 3.45Å
12	I	27.2	Very low	26.8	Very low	141 Å²	141	140.5 Å²	140.5	72%	0.723	73%	0.733	S	S	*	*			trans	-50.8	120.8	178.9	-69.4	157.6	0	0	0	110.3	L14	I12-L14 VanDerWaalsContact C-N 3.32Å; I12-L14 PolarHBondContact O-N 3.21Å
13	N	24.7	Very low	26.8	Very low	150 Å²	150	144.8 Å²	144.8	80%	0.802	73%	0.73	S	S	*	*			trans	-62.2	90.7	166.8	-81.1	-40.5	0	0	0	109.5	I11 F15	I11-N13 PolarHBondContact O-N 3.45Å; N13-F15 PolarHBondContact O-N 3.34Å
14	L	27.7	Very low	26.9	Very low	141 Å²	141	136.2 Å²	136.2	74%	0.738	70%	0.695	S	S	*	*			trans	-72	107.8	157.6	-79	165.9	0	0	0	106.9	I12 W16	I12-L14 VanDerWaalsContact C-N 3.32Å; I12-L14 PolarHBondContact O-N 3.21Å; L14-W16 PolarHBondContact O-N 3.08Å
15	F	26.8	Very low	27	Very low	179 Å²	179	135.8 Å²	135.8	79%	0.785	69%	0.687	S	S	*	*			trans	-56.5	95.8	170.7	-79.9	-93.8	0	0	0	109.8	N13 I17	N13-F15 PolarHBondContact O-N 3.34Å; F15-I17 PolarHBondContact O-N 3.22Å
16	W	22.5	Very low	27.3	Very low	217 Å²	217	130.7 Å²	130.7	82%	0.822	66%	0.662	S	S	*	*			trans	-68.9	105.8	156.7	-80.9	73.2	0	0	0	107	L14 D18	L14-W16 PolarHBondContact O-N 3.08Å; W16-D18 VanDerWaalsContact C-N 3.31Å; W16-D18 PolarHBondContact O-N 3.47Å
17	I	27.3	Very low	27.7	Very low	104 Å²	104	128 Å²	128	53%	0.533	65%	0.645	S	S	.	*			trans	-79.3	92.1	165.7	-62.8	176	0	0	0	105.3	F15 F19	F15-I17 PolarHBondContact O-N 3.22Å; I17-F19 HydrophobicContact CG2-CD2 4.02Å; I17-F19 HydrophobicContact CG2-CE2 3.95Å; I17-F19 PolarHBondContact O-N 3.27Å
18	D	25.3	Very low	28.1	Very low	115 Å²	115	125.7 Å²	125.7	62%	0.615	64%	0.635	S	S	*	*			trans	-64.5	101.7	170	-77.2	-33.9	0	0	0	109	W16 H20	W16-D18 VanDerWaalsContact C-N 3.31Å; W16-D18 PolarHBondContact O-N 3.47Å; D18-H20 PolarHBondContact O-N 3.25Å
19	F	28.7	Very low	28.4	Very low	138 Å²	138	126.6 Å²	126.6	61%	0.605	63%	0.628	S	S	*	*			trans	-72.2	74.6	164.5	-88.9	-91.1	0	0	0	108.9	I17 V22	I17-F19 HydrophobicContact CG2-CD2 4.02Å; I17-F19 HydrophobicContact CG2-CE2 3.95Å; I17-F19 PolarHBondContact O-N 3.27Å; F19-V22 HydrophobicContact CD1-CG2 4.29Å
20	H	24	Very low	28.9	Very low	136 Å²	136	121.7 Å²	121.7	63%	0.63	61%	0.607	S	S	*	*			trans	-103.3	118.8	166	-83.3	-35.2	0	0	0	110.1	D18	D18-H20 PolarHBondContact O-N 3.25Å
21	Y	27.9	Very low	29.7	Very low	187 Å²	187	120 Å²	120	73%	0.733	59%	0.592	S	S	*	*			trans	51.6	82.4	167.1	-69.2	-86.7	0	0	0	116.3	Y23	Y21-Y23 PolarHBondContact O-N 2.7Å; Y21-Y23 VanDerWaalsContact O-N 3.08Å
22	V	29.1	Very low	30.6	Very low	65 Å²	65	116.8 Å²	116.8	39%	0.394	58%	0.582	S	S	.	*			trans	-77.7	89.6	167.8	-175.7	0	0	0	0	108.7	F19 T26 F27	F19-V22 HydrophobicContact CD1-CG2 4.29Å; V22-T26 WeakPolarHBondContact CG1-OG1 3.43Å; V22-F27 HydrophobicContact CG1-CE2 4.49Å
23	Y	26.1	Very low	31.7	Very low	157 Å²	157	114.8 Å²	114.8	62%	0.616	58%	0.577	S	S	*	*			trans	-66	147	163.3	-94.4	-88.4	0	0	0	109.9	Y21 S25 T26	Y21-Y23 PolarHBondContact O-N 2.7Å; Y21-Y23 VanDerWaalsContact O-N 3.08Å; Y23-S25 WeakPolarHBondContact CB-OG 3.25Å; Y23-S25 PolarHBondContact O-N 3.04Å; Y23-T26 WeakPolarHBondContact O-CB 3.49Å; Y23-T26 PolarHBondContact O-N 3.43Å; Y23-T26 PolarHBondContact O-OG1 3.07Å
24	P	33	Very low	32.7	Very low	33 Å²	33	112 Å²	112	21%	0.214	56%	0.562	C	S	.	*	G	3₁₀ helix	trans	-55.1	-25.4	173	-24.6	33	0	0	0	113.6	T26 F27	P24-T26 PolarHBondContact O-N 2.7Å; P24-F27 PolarHBondContact O-N 2.8Å
25	S	29.7	Very low	33.6	Very low	74 Å²	74	107.3 Å²	107.3	52%	0.517	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-67.3	-14.2	174.3	59.7	0	0	0	0	114.5	Y23 F27 K28	Y23-S25 WeakPolarHBondContact CB-OG 3.25Å; Y23-S25 PolarHBondContact O-N 3.04Å; S25-F27 VanDerWaalsContact C-N 3.3Å; S25-F27 PolarHBondContact O-N 3.28Å; S25-K28 WeakPolarHBondContact O-CB 3.46Å; S25-K28 PolarHBondContact O-N 3.35Å
26	T	30.7	Very low	34.8	Very low	61 Å²	61	106.5 Å²	106.5	37%	0.374	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-74.8	-16.8	175.1	58.1	0	0	0	0	113.4	V22 Y23 P24 K28 S30	V22-T26 WeakPolarHBondContact CG1-OG1 3.43Å; Y23-T26 WeakPolarHBondContact O-CB 3.49Å; Y23-T26 PolarHBondContact O-N 3.43Å; Y23-T26 PolarHBondContact O-OG1 3.07Å; P24-T26 PolarHBondContact O-N 2.7Å; T26-K28 PolarHBondContact O-N 3.19Å; T26-S30 WeakPolarHBondContact O-CB 3.31Å; T26-S30 PolarHBondContact O-N 2.89Å; T26-S30 VanDerWaalsContact O-N 3.09Å
27	F	34.3	Very low	36.2	Very low	76 Å²	76	103.9 Å²	103.9	33%	0.333	52%	0.517	S	S	.	.	G	3₁₀ helix	trans	-71.4	-13.4	170.4	-80.5	-79.6	0	0	0	113.4	V22 P24 S25 S29 F35 A561	V22-F27 HydrophobicContact CG1-CE2 4.49Å; P24-F27 PolarHBondContact O-N 2.8Å; S25-F27 VanDerWaalsContact C-N 3.3Å; S25-F27 PolarHBondContact O-N 3.28Å; F27-S29 VanDerWaalsContact C-N 3.27Å; F27-S29 PolarHBondContact O-N 2.99Å; F27-F35 HydrophobicContact CE1-CD2 4.33Å; F27-F35 HydrophobicContact CE1-CE2 4.3Å; F27-A561 HydrophobicContact CD1-CB 3.72Å; F27-A561 HydrophobicContact CD2-CB 4.37Å; F27-A561 HydrophobicContact CE1-CB 3.63Å; F27-A561 HydrophobicContact CE2-CB 4.29Å; F27-A561 HydrophobicContact CG-CB 4.11Å; F27-A561 HydrophobicContact CZ-CB 3.92Å
28	K	34.3	Very low	37.5	Very low	143 Å²	143	101.5 Å²	101.5	62%	0.622	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-71.1	-17.6	177.8	-73.8	-173	173.8	167.3	0	114.5	S25 T26 D557	S25-K28 WeakPolarHBondContact O-CB 3.46Å; S25-K28 PolarHBondContact O-N 3.35Å; T26-K28 PolarHBondContact O-N 3.19Å; K28-D557 VanDerWaalsContact CE-CG 3.44Å; K28-D557 WeakPolarHBondContact CE-OD1 3.23Å; K28-D557 WeakPolarHBondContact CE-OD2 3.45Å; K28-D557 IonicContact NZ-OD2 2.82Å; K28-D557 PolarHBondContact NZ-OD2 2.65Å
29	S	35.2	Very low	38.8	Very low	102 Å²	102	97 Å²	97	71%	0.713	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-156.2	12.7	-179.3	65.4	0	0	0	0	115.3	F27 N31	F27-S29 VanDerWaalsContact C-N 3.27Å; F27-S29 PolarHBondContact O-N 2.99Å; S29-N31 PolarHBondContact O-N 3.02Å
30	S	38.8	Very low	40.5	Very low	51 Å²	51	95.4 Å²	95.4	36%	0.357	48%	0.475	S	S	.	.			trans	-53.7	111.1	170.7	124.9	0	0	0	0	107.9	T26 S32	T26-S30 WeakPolarHBondContact O-CB 3.31Å; T26-S30 PolarHBondContact O-N 2.89Å; T26-S30 VanDerWaalsContact O-N 3.09Å; S30-S32 PolarHBondContact O-N 3.39Å; S30-S32 VanDerWaalsContact O-N 3.12Å
31	N	40.6	Very low	42.2	Very low	108 Å²	108	93.8 Å²	93.8	58%	0.578	47%	0.467	S	S	*	.			trans	-34.7	121.6	175.7	-95.9	-29.7	0	0	0	109	S29 T33 N34 F35	S29-N31 PolarHBondContact O-N 3.02Å; N31-T33 CarbonylContact O-C 3.59Å; N31-T33 PolarHBondContact O-N 2.78Å; N31-N34 PolarHBondContact O-N 2.95Å; N31-F35 PolarHBondContact O-N 3.46Å
32	S	49.7	Very low	43.9	Very low	75 Å²	75	85 Å²	85	52%	0.524	43%	0.432	S	S	.	.	H	α-helix	trans	-43.9	-31.5	176.7	171.8	0	0	0	0	112.2	S30 R36	S30-S32 PolarHBondContact O-N 3.39Å; S30-S32 VanDerWaalsContact O-N 3.12Å; S32-R36 VanDerWaalsContact O-CB 3.31Å; S32-R36 WeakPolarHBondContact O-CB 3.4Å; S32-R36 VanDerWaalsContact O-CG 3.24Å; S32-R36 WeakPolarHBondContact O-CG 3.22Å; S32-R36 PolarHBondContact O-N 3.27Å
33	T	49.6	Very low	45.7	Very low	98 Å²	98	85.3 Å²	85.3	60%	0.601	43%	0.432	S	S	*	.	H	α-helix	trans	-60.4	-46.4	171.4	-3.5	0	0	0	0	115.1	N31 R36 R37	N31-T33 CarbonylContact O-C 3.59Å; N31-T33 PolarHBondContact O-N 2.78Å; T33-R36 PolarHBondContact O-N 3.36Å; T33-R37 VanDerWaalsContact O-CB 3.24Å; T33-R37 WeakPolarHBondContact O-CB 3.39Å; T33-R37 PolarHBondContact O-N 2.73Å
34	N	44.6	Very low	48.2	Very low	92 Å²	92	83.3 Å²	83.3	49%	0.492	43%	0.429	S	S	.	.	H	α-helix	trans	-67.4	-43.2	178.8	-76.9	-10.3	0	0	0	111	N31 R37 W38	N31-N34 PolarHBondContact O-N 2.95Å; N34-R37 PolarHBondContact O-N 3.36Å; N34-W38 WeakPolarHBondContact O-CB 3.21Å; N34-W38 PolarHBondContact O-N 3.37Å
35	F	48.4	Very low	50.7	Low	42 Å²	42	88.1 Å²	88.1	18%	0.184	45%	0.453	C	S	.	.	H	α-helix	trans	-61.4	-48.1	174.5	-178	-112.4	0	0	0	111.3	F27 N31 R37 W38 L39 V564	F27-F35 HydrophobicContact CE1-CD2 4.33Å; F27-F35 HydrophobicContact CE1-CE2 4.3Å; N31-F35 PolarHBondContact O-N 3.46Å; F35-R37 VanDerWaalsContact C-N 3.35Å; F35-R37 PolarHBondContact O-N 3.25Å; F35-W38 HydrophobicContact CD2-CE3 4.36Å; F35-W38 HydrophobicContact CE2-CE3 4.32Å; F35-W38 HydrophobicContact CE2-CZ3 4.28Å; F35-W38 PolarHBondContact O-N 2.87Å; F35-L39 HydrophobicContact CD1-CD1 3.69Å; F35-L39 HydrophobicContact CD1-CG 4.33Å; F35-L39 HydrophobicContact CE1-CD1 3.36Å; F35-L39 HydrophobicContact CE1-CG 4.1Å; F35-L39 HydrophobicContact CE2-CD1 4.46Å; F35-L39 HydrophobicContact CE2-CD2 4.42Å; F35-L39 HydrophobicContact CE2-CG 4.33Å; F35-L39 HydrophobicContact CG-CD1 4.39Å; F35-L39 HydrophobicContact CZ-CD1 3.78Å; F35-L39 HydrophobicContact CZ-CD2 4.13Å; F35-L39 HydrophobicContact CZ-CG 4.08Å; F35-L39 WeakPolarHBondContact O-CB 3.48Å; F35-L39 VanDerWaalsContact O-CG 3.26Å; F35-L39 WeakPolarHBondContact O-CG 3.13Å; F35-L39 PolarHBondContact O-N 3.35Å; F35-V564 HydrophobicContact CE1-CG1 3.88Å; F35-V564 HydrophobicContact CZ-CG1 4.02Å
36	R	52	Low	53.6	Low	162 Å²	162	85.5 Å²	85.5	61%	0.611	43%	0.433	S	S	*	.	H	α-helix	trans	-60.6	-39.7	174.6	-76.6	177.3	-178.8	-163.8	0.3	113.1	S32 T33 L39 N40	S32-R36 VanDerWaalsContact O-CB 3.31Å; S32-R36 WeakPolarHBondContact O-CB 3.4Å; S32-R36 VanDerWaalsContact O-CG 3.24Å; S32-R36 WeakPolarHBondContact O-CG 3.22Å; S32-R36 PolarHBondContact O-N 3.27Å; T33-R36 PolarHBondContact O-N 3.36Å; R36-L39 PolarHBondContact O-N 2.78Å; R36-N40 WeakPolarHBondContact O-CB 3.46Å; R36-N40 PolarHBondContact O-N 3.46Å; R36-N40 PolarHBondContact O-OD1 3.09Å
37	R	50.6	Low	56.7	Low	163 Å²	163	84.8 Å²	84.8	62%	0.615	43%	0.43	S	S	*	.	H	α-helix	trans	-66.2	-42.8	178	-172.9	177.8	-179	173.9	-0	111.5	T33 N34 F35 N40 F41	T33-R37 VanDerWaalsContact O-CB 3.24Å; T33-R37 WeakPolarHBondContact O-CB 3.39Å; T33-R37 PolarHBondContact O-N 2.73Å; N34-R37 PolarHBondContact O-N 3.36Å; F35-R37 VanDerWaalsContact C-N 3.35Å; F35-R37 PolarHBondContact O-N 3.25Å; R37-N40 PolarHBondContact O-N 2.89Å; R37-F41 PolarHBondContact O-N 3.4Å
38	W	54.5	Low	59.6	Low	54 Å²	54	84.8 Å²	84.8	21%	0.205	44%	0.44	C	S	.	.	H	α-helix	trans	-63.8	-42.2	173.5	179.7	75.5	0	0	0	111.8	N34 F35 N40 F41 L42 Y387 Y565	N34-W38 WeakPolarHBondContact O-CB 3.21Å; N34-W38 PolarHBondContact O-N 3.37Å; F35-W38 HydrophobicContact CD2-CE3 4.36Å; F35-W38 HydrophobicContact CE2-CE3 4.32Å; F35-W38 HydrophobicContact CE2-CZ3 4.28Å; F35-W38 PolarHBondContact O-N 2.87Å; W38-N40 PolarHBondContact O-N 2.95Å; W38-F41 WeakPolarHBondContact O-CB 3.5Å; W38-F41 PolarHBondContact O-N 2.91Å; W38-L42 HydrophobicContact CD2-CD1 4.01Å; W38-L42 HydrophobicContact CE3-CD1 4.15Å; W38-L42 HydrophobicContact CH2-CD1 3.58Å; W38-L42 HydrophobicContact CZ2-CD1 3.4Å; W38-L42 HydrophobicContact CZ2-CG 4.43Å; W38-L42 HydrophobicContact CZ3-CD1 3.95Å; W38-L42 PolarHBondContact O-N 3.41Å; W38-L42 VanDerWaalsContact O-N 3.11Å; W38-Y387 HydrophobicContact CZ2-CE1 4.41Å; W38-Y565 HydrophobicContact CH2-CD2 4.25Å; W38-Y565 HydrophobicContact CH2-CE2 4.2Å; W38-Y565 AromaticContact CZ3-CD2 3.94Å; W38-Y565 HydrophobicContact CZ3-CD2 3.94Å; W38-Y565 HydrophobicContact CZ3-CE2 4.14Å
39	L	53	Low	62.6	Low	19 Å²	19	81.7 Å²	81.7	10%	0.099	44%	0.436	C	S	.	.	H	α-helix	trans	-59.4	-45.5	173.8	-75.2	176.1	0	0	0	112.3	F35 R36 L42 N43 Y565	F35-L39 HydrophobicContact CD1-CD1 3.69Å; F35-L39 HydrophobicContact CD1-CG 4.33Å; F35-L39 HydrophobicContact CE1-CD1 3.36Å; F35-L39 HydrophobicContact CE1-CG 4.1Å; F35-L39 HydrophobicContact CE2-CD1 4.46Å; F35-L39 HydrophobicContact CE2-CD2 4.42Å; F35-L39 HydrophobicContact CE2-CG 4.33Å; F35-L39 HydrophobicContact CG-CD1 4.39Å; F35-L39 HydrophobicContact CZ-CD1 3.78Å; F35-L39 HydrophobicContact CZ-CD2 4.13Å; F35-L39 HydrophobicContact CZ-CG 4.08Å; F35-L39 WeakPolarHBondContact O-CB 3.48Å; F35-L39 VanDerWaalsContact O-CG 3.26Å; F35-L39 WeakPolarHBondContact O-CG 3.13Å; F35-L39 PolarHBondContact O-N 3.35Å; R36-L39 PolarHBondContact O-N 2.78Å; L39-L42 PolarHBondContact O-N 3.09Å; L39-N43 PolarHBondContact O-N 3.19Å; L39-Y565 HydrophobicContact CD2-CD2 3.82Å; L39-Y565 HydrophobicContact CD2-CE2 4.14Å
40	N	64.2	Low	65.5	Low	106 Å²	106	80.6 Å²	80.6	57%	0.567	42%	0.422	S	S	*	.	H	α-helix	trans	-62.3	-43.6	177.3	-73.5	-11.6	0	0	0	111.3	R36 R37 W38 L42 N43 M44	R36-N40 WeakPolarHBondContact O-CB 3.46Å; R36-N40 PolarHBondContact O-N 3.46Å; R36-N40 PolarHBondContact O-OD1 3.09Å; R37-N40 PolarHBondContact O-N 2.89Å; W38-N40 PolarHBondContact O-N 2.95Å; N40-L42 VanDerWaalsContact C-N 3.33Å; N40-L42 PolarHBondContact O-N 3.42Å; N40-N43 CarbonylContact O-C 3.59Å; N40-N43 PolarHBondContact O-N 2.74Å; N40-M44 WeakPolarHBondContact O-CG 3.25Å; N40-M44 PolarHBondContact O-N 2.91Å; N40-M44 VanDerWaalsContact O-N 3.16Å
41	F	60.1	Low	68.4	Low	102 Å²	102	79.1 Å²	79.1	45%	0.447	41%	0.409	S	S	.	.	H	α-helix	trans	-56.5	-45.9	176.6	172.2	-98.5	0	0	0	112	R37 W38 N43 M44 H436	R37-F41 PolarHBondContact O-N 3.4Å; W38-F41 WeakPolarHBondContact O-CB 3.5Å; W38-F41 PolarHBondContact O-N 2.91Å; F41-N43 PolarHBondContact O-N 2.67Å; F41-M44 HydrophobicContact CD2-SD 4.34Å; F41-M44 VanDerWaalsContact O-CB 3.31Å; F41-M44 WeakPolarHBondContact O-CB 3.38Å; F41-M44 PolarHBondContact O-N 3.48Å; F41-H436 AromaticContact CE1-ND1 3.64Å; F41-H436 AromaticContact CZ-CE1 3.91Å; F41-H436 AromaticContact CZ-ND1 3.71Å; F41-H436 PolarHBondContact O-NE2 3.48Å
42	L	63.4	Low	71.1	Confident	2 Å²	2	80.7 Å²	80.7	1%	0.01	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-10.2	178.4	-68.7	-178.8	0	0	0	114.4	W38 L39 N40 F433 H436 Y565 K569	W38-L42 HydrophobicContact CD2-CD1 4.01Å; W38-L42 HydrophobicContact CE3-CD1 4.15Å; W38-L42 HydrophobicContact CH2-CD1 3.58Å; W38-L42 HydrophobicContact CZ2-CD1 3.4Å; W38-L42 HydrophobicContact CZ2-CG 4.43Å; W38-L42 HydrophobicContact CZ3-CD1 3.95Å; W38-L42 PolarHBondContact O-N 3.41Å; W38-L42 VanDerWaalsContact O-N 3.11Å; L39-L42 PolarHBondContact O-N 3.09Å; N40-L42 VanDerWaalsContact C-N 3.33Å; N40-L42 PolarHBondContact O-N 3.42Å; L42-F433 HydrophobicContact CB-CD2 4.34Å; L42-F433 HydrophobicContact CD1-CD2 4.1Å; L42-F433 HydrophobicContact CD1-CE2 4.11Å; L42-F433 HydrophobicContact CD2-CD2 4.33Å; L42-F433 WeakPolarHBondContact O-CA 3.43Å; L42-F433 PolarHBondContact O-N 3.5Å; L42-H436 HydrophobicContact CD2-CB 3.51Å; L42-Y565 HydrophobicContact CD1-CE2 4.09Å; L42-K569 PolarHBondContact O-NZ 3.24Å
43	N	67.5	Low	73.4	Confident	72 Å²	72	82.1 Å²	82.1	39%	0.385	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-4.1	172.3	-72.7	-10.7	0	0	0	112.1	L39 N40 F41 D45 K569	L39-N43 PolarHBondContact O-N 3.19Å; N40-N43 CarbonylContact O-C 3.59Å; N40-N43 PolarHBondContact O-N 2.74Å; F41-N43 PolarHBondContact O-N 2.67Å; N43-D45 PolarHBondContact O-N 3.46Å; N43-K569 WeakPolarHBondContact OD1-CE 3.42Å; N43-K569 PolarHBondContact OD1-NZ 2.91Å
44	M	78.3	Confident	75.7	Confident	115 Å²	115	78.3 Å²	78.3	57%	0.567	39%	0.388	S	S	*	.	S	Bend	trans	-71.4	126	173.9	-67	179.4	64.8	0	0	108.7	N40 F41 H436	N40-M44 WeakPolarHBondContact O-CG 3.25Å; N40-M44 PolarHBondContact O-N 2.91Å; N40-M44 VanDerWaalsContact O-N 3.16Å; F41-M44 HydrophobicContact CD2-SD 4.34Å; F41-M44 VanDerWaalsContact O-CB 3.31Å; F41-M44 WeakPolarHBondContact O-CB 3.38Å; F41-M44 PolarHBondContact O-N 3.48Å; M44-H436 PolarHBondContact O-NE2 2.89Å
45	D	85.9	Confident	78.3	Confident	134 Å²	134	74.1 Å²	74.1	72%	0.717	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-58.6	140.3	168.8	-70.5	-39.3	0	0	0	110.3	N43 P432	N43-D45 PolarHBondContact O-N 3.46Å; D45-P432 WeakPolarHBondContact OD1-CG 3.43Å
46	M	91.2	Very high	80.7	Confident	19 Å²	19	75.8 Å²	75.8	9%	0.094	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-90	127.3	171.6	-173.7	179.9	-71.8	0	0	108	D50 K51 L54 L435 F486	M46-D50 HydrophobicContact CG-CB 3.63Å; M46-D50 HydrophobicContact SD-CB 4.5Å; M46-K51 HydrophobicContact CB-CG 4.21Å; M46-K51 HydrophobicContact CG-CG 3.78Å; M46-K51 WeakPolarHBondContact O-CE 3.42Å; M46-K51 HydrophobicContact SD-CB 4.45Å; M46-K51 HydrophobicContact SD-CG 3.67Å; M46-L54 HydrophobicContact CE-CD1 3.53Å; M46-L54 HydrophobicContact SD-CD1 3.39Å; M46-L54 WeakPolarHBondContact SD-CD1 3.34Å; M46-L435 HydrophobicContact CB-CD1 3.88Å; M46-L435 HydrophobicContact CE-CB 3.8Å; M46-L435 HydrophobicContact SD-CB 4.08Å; M46-L435 HydrophobicContact SD-CD1 4.41Å; M46-F486 HydrophobicContact SD-CD1 4.39Å; M46-F486 HydrophobicContact SD-CE1 4.36Å
47	S	94.5	Very high	82.9	Confident	45 Å²	45	70.4 Å²	70.4	32%	0.315	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-64.3	152	179.7	73	0	0	0	0	110.9	S49 D50 K51	S47-S49 PolarHBondContact O-N 2.88Å; S47-S49 PolarHBondContact OG-OG 2.92Å; S47-D50 PolarHBondContact O-N 2.64Å; S47-D50 WeakPolarHBondContact OG-CB 3.01Å; S47-D50 PolarHBondContact OG-N 3.01Å; S47-D50 VanDerWaalsContact OG-N 3.07Å; S47-D50 PolarHBondContact OG-OD2 2.81Å; S47-K51 WeakPolarHBondContact O-CG 3.36Å; S47-K51 PolarHBondContact O-N 2.83Å
48	S	95.6	Very high	85.2	Confident	76 Å²	76	62.7 Å²	62.7	53%	0.531	34%	0.335	S	S	.	.	H	α-helix	trans	-59	-29.2	175	-61.9	0	0	0	0	112.6	K52 E488	S48-K52 WeakPolarHBondContact O-CB 3.5Å; S48-K52 PolarHBondContact O-N 2.97Å; S48-E488 WeakPolarHBondContact CB-OE2 3.42Å; S48-E488 PolarHBondContact OG-OE2 2.83Å
49	S	96.9	Very high	87.3	Confident	78 Å²	78	62.3 Å²	62.3	55%	0.545	34%	0.336	S	S	.	.	H	α-helix	trans	-65.2	-42.9	171	39	0	0	0	0	112.6	S47 K52 L53	S47-S49 PolarHBondContact O-N 2.88Å; S47-S49 PolarHBondContact OG-OG 2.92Å; S49-K52 PolarHBondContact O-N 3.29Å; S49-L53 WeakPolarHBondContact O-CG 3.46Å; S49-L53 PolarHBondContact O-N 3.29Å
50	D	97.1	Very high	89.5	Confident	79 Å²	79	66.3 Å²	66.3	42%	0.422	36%	0.357	S	S	.	.	H	α-helix	trans	-68.5	-42	178.2	-62.4	-38.3	0	0	0	111.2	M46 S47 K52 L53 L54	M46-D50 HydrophobicContact CG-CB 3.63Å; M46-D50 HydrophobicContact SD-CB 4.5Å; S47-D50 PolarHBondContact O-N 2.64Å; S47-D50 WeakPolarHBondContact OG-CB 3.01Å; S47-D50 PolarHBondContact OG-N 3.01Å; S47-D50 VanDerWaalsContact OG-N 3.07Å; S47-D50 PolarHBondContact OG-OD2 2.81Å; D50-K52 VanDerWaalsContact C-N 3.32Å; D50-K52 PolarHBondContact O-N 3.33Å; D50-L53 PolarHBondContact O-N 3.16Å; D50-L54 WeakPolarHBondContact O-CG 3.26Å; D50-L54 PolarHBondContact O-N 3.02Å
51	K	98	Very high	91.2	Very high	20 Å²	20	61.8 Å²	61.8	9%	0.087	33%	0.333	C	S	.	.	H	α-helix	trans	-56.7	-48	173.4	-64.9	-178.4	-157	-175.7	0	110.5	M46 S47 L53 L54 A55 Y426 L435 F486 E488	M46-K51 HydrophobicContact CB-CG 4.21Å; M46-K51 HydrophobicContact CG-CG 3.78Å; M46-K51 WeakPolarHBondContact O-CE 3.42Å; M46-K51 HydrophobicContact SD-CB 4.45Å; M46-K51 HydrophobicContact SD-CG 3.67Å; S47-K51 WeakPolarHBondContact O-CG 3.36Å; S47-K51 PolarHBondContact O-N 2.83Å; K51-L53 VanDerWaalsContact C-N 3.32Å; K51-L53 PolarHBondContact O-N 3.27Å; K51-L54 PolarHBondContact O-N 3.27Å; K51-L54 VanDerWaalsContact O-N 3.12Å; K51-A55 PolarHBondContact O-N 3.32Å; K51-Y426 PolarHBondContact NZ-OH 3.34Å; K51-L435 HydrophobicContact CD-CD1 4.15Å; K51-L435 HydrophobicContact CG-CD1 4.4Å; K51-F486 WeakPolarHBondContact CB-O 3Å; K51-F486 WeakPolarHBondContact O-CB 3.45Å; K51-E488 HydrophobicContact CD-CG 3.86Å; K51-E488 IonicContact NZ-OE1 3.96Å; K51-E488 PolarHBondContact NZ-OE1 3.02Å; K51-E488 IonicContact NZ-OE2 3.48Å
52	K	98	Very high	93	Very high	141 Å²	141	57 Å²	57	61%	0.613	31%	0.312	S	S	*	.	H	α-helix	trans	-60	-39.2	176.8	-172.8	172.7	-176.9	173.3	0	113	S48 S49 D50 A55 N56	S48-K52 WeakPolarHBondContact O-CB 3.5Å; S48-K52 PolarHBondContact O-N 2.97Å; S49-K52 PolarHBondContact O-N 3.29Å; D50-K52 VanDerWaalsContact C-N 3.32Å; D50-K52 PolarHBondContact O-N 3.33Å; K52-A55 PolarHBondContact O-N 3.01Å; K52-N56 WeakPolarHBondContact O-CB 3.25Å; K52-N56 VanDerWaalsContact O-CG 3.24Å; K52-N56 PolarHBondContact O-N 3.21Å
53	L	98.3	Very high	94.7	Very high	105 Å²	105	57.6 Å²	57.6	55%	0.55	32%	0.317	S	S	.	.	H	α-helix	trans	-64.9	-38.5	175.4	-72	172	0	0	0	112.3	S49 D50 K51 S57	S49-L53 WeakPolarHBondContact O-CG 3.46Å; S49-L53 PolarHBondContact O-N 3.29Å; D50-L53 PolarHBondContact O-N 3.16Å; K51-L53 VanDerWaalsContact C-N 3.32Å; K51-L53 PolarHBondContact O-N 3.27Å; L53-S57 PolarHBondContact O-N 3.04Å; L53-S57 PolarHBondContact O-OG 3.45Å
54	L	98.6	Very high	96.2	Very high	18 Å²	18	56.9 Å²	56.9	9%	0.094	31%	0.31	C	S	.	.	H	α-helix	trans	-69.3	-42.7	174.9	-65.6	173.7	0	0	0	111.8	M46 D50 K51 N56 S57 V58 K439 M442 F486	M46-L54 HydrophobicContact CE-CD1 3.53Å; M46-L54 HydrophobicContact SD-CD1 3.39Å; M46-L54 WeakPolarHBondContact SD-CD1 3.34Å; D50-L54 WeakPolarHBondContact O-CG 3.26Å; D50-L54 PolarHBondContact O-N 3.02Å; K51-L54 PolarHBondContact O-N 3.27Å; K51-L54 VanDerWaalsContact O-N 3.12Å; L54-N56 VanDerWaalsContact C-N 3.3Å; L54-N56 PolarHBondContact O-N 2.78Å; L54-S57 WeakPolarHBondContact O-CB 3.1Å; L54-S57 PolarHBondContact O-N 3.36Å; L54-V58 WeakPolarHBondContact O-CG2 3.35Å; L54-V58 PolarHBondContact O-N 2.69Å; L54-K439 HydrophobicContact CD1-CB 4.4Å; L54-K439 HydrophobicContact CD1-CD 4.37Å; L54-K439 HydrophobicContact CD1-CG 4.42Å; L54-K439 HydrophobicContact CD2-CD 4.28Å; L54-K439 HydrophobicContact CD2-CG 4.13Å; L54-M442 HydrophobicContact CD2-CE 3.59Å; L54-M442 HydrophobicContact CD2-SD 4.35Å; L54-F486 HydrophobicContact CB-CB 4.19Å; L54-F486 HydrophobicContact CB-CD1 3.95Å; L54-F486 HydrophobicContact CB-CD2 3.68Å; L54-F486 HydrophobicContact CB-CE1 4.24Å; L54-F486 HydrophobicContact CB-CE2 3.99Å; L54-F486 HydrophobicContact CB-CG 3.67Å; L54-F486 HydrophobicContact CB-CZ 4.25Å; L54-F486 HydrophobicContact CD1-CD1 3.86Å; L54-F486 HydrophobicContact CD1-CE1 3.57Å; L54-F486 HydrophobicContact CD1-CE2 4.46Å; L54-F486 HydrophobicContact CD1-CG 4.43Å; L54-F486 HydrophobicContact CD1-CZ 3.9Å
55	A	98.7	Very high	97.2	Very high	4 Å²	4	51.4 Å²	51.4	3%	0.033	28%	0.283	C	S	.	.	H	α-helix	trans	-57	-44.6	173.6	0	0	0	0	0	111.4	K51 K52 S57 V58 H59 Y483 F486 D487	K51-A55 PolarHBondContact O-N 3.32Å; K52-A55 PolarHBondContact O-N 3.01Å; A55-S57 VanDerWaalsContact C-N 3.33Å; A55-S57 PolarHBondContact O-N 2.98Å; A55-V58 PolarHBondContact O-N 3.39Å; A55-H59 WeakPolarHBondContact O-CB 3.23Å; A55-H59 PolarHBondContact O-N 3.21Å; A55-Y483 HydrophobicContact CB-CD2 4.3Å; A55-Y483 HydrophobicContact CB-CE2 4.28Å; A55-Y483 WeakPolarHBondContact O-CD2 3.29Å; A55-F486 HydrophobicContact CB-CB 3.82Å; A55-D487 HydrophobicContact CB-CB 4.31Å
56	N	98.6	Very high	97.8	Very high	78 Å²	78	45.1 Å²	45.1	42%	0.417	25%	0.249	S	C	.	.	H	α-helix	trans	-61.8	-39.9	174.1	-71.1	-13.3	0	0	0	112.2	K52 L54 V58 H59 D60	K52-N56 WeakPolarHBondContact O-CB 3.25Å; K52-N56 VanDerWaalsContact O-CG 3.24Å; K52-N56 PolarHBondContact O-N 3.21Å; L54-N56 VanDerWaalsContact C-N 3.3Å; L54-N56 PolarHBondContact O-N 2.78Å; N56-V58 VanDerWaalsContact C-N 3.35Å; N56-V58 PolarHBondContact O-N 3.46Å; N56-H59 WeakPolarHBondContact O-CB 3.49Å; N56-H59 PolarHBondContact O-N 3.42Å; N56-D60 VanDerWaalsContact O-CG 3.3Å; N56-D60 PolarHBondContact O-N 3.36Å
57	S	98.7	Very high	98.1	Very high	49 Å²	49	48 Å²	48	34%	0.343	27%	0.265	S	S	.	.	H	α-helix	trans	-63.2	-41.6	177.7	-57.2	0	0	0	0	111.6	L53 L54 A55 D60 M61	L53-S57 PolarHBondContact O-N 3.04Å; L53-S57 PolarHBondContact O-OG 3.45Å; L54-S57 WeakPolarHBondContact O-CB 3.1Å; L54-S57 PolarHBondContact O-N 3.36Å; A55-S57 VanDerWaalsContact C-N 3.33Å; A55-S57 PolarHBondContact O-N 2.98Å; S57-D60 PolarHBondContact O-N 3.02Å; S57-M61 WeakPolarHBondContact O-CG 3.2Å; S57-M61 PolarHBondContact O-N 3.23Å
58	V	98.8	Very high	98.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-66.4	-40.9	174.5	-179.5	0	0	0	0	111.1	L54 A55 N56 D60 M61 F62 M442 L479 L482 F486	L54-V58 WeakPolarHBondContact O-CG2 3.35Å; L54-V58 PolarHBondContact O-N 2.69Å; A55-V58 PolarHBondContact O-N 3.39Å; N56-V58 VanDerWaalsContact C-N 3.35Å; N56-V58 PolarHBondContact O-N 3.46Å; V58-D60 VanDerWaalsContact C-N 3.29Å; V58-D60 PolarHBondContact O-N 3.25Å; V58-M61 WeakPolarHBondContact O-CB 3.35Å; V58-M61 PolarHBondContact O-N 3.06Å; V58-F62 PolarHBondContact O-N 3.23Å; V58-M442 HydrophobicContact CG2-CG 4.04Å; V58-M442 HydrophobicContact CG2-SD 3.65Å; V58-L479 HydrophobicContact CG1-CB 4.13Å; V58-L479 HydrophobicContact CG1-CD2 4.04Å; V58-L479 VanDerWaalsContact CG1-O 3.24Å; V58-L479 WeakPolarHBondContact CG1-O 3.33Å; V58-L482 HydrophobicContact CG1-CB 3.96Å; V58-L482 HydrophobicContact CG2-CB 3.93Å; V58-F486 HydrophobicContact CG2-CD2 4.18Å; V58-F486 HydrophobicContact CG2-CE2 4.35Å
59	H	98.7	Very high	98.5	Very high	46 Å²	46	42.9 Å²	42.9	21%	0.213	23%	0.229	C	C	.	.	H	α-helix	trans	-59.9	-38.6	174.4	175.6	-78.1	0	0	0	112.2	A55 N56 F62 S63 Y483	A55-H59 WeakPolarHBondContact O-CB 3.23Å; A55-H59 PolarHBondContact O-N 3.21Å; N56-H59 WeakPolarHBondContact O-CB 3.49Å; N56-H59 PolarHBondContact O-N 3.42Å; H59-F62 PolarHBondContact O-N 3.44Å; H59-S63 PolarHBondContact CE1-OG 2.91Å; H59-S63 WeakPolarHBondContact O-CB 3.45Å; H59-S63 PolarHBondContact O-N 2.89Å; H59-S63 PolarHBondContact O-OG 2.97Å; H59-Y483 HydrophobicContact CB-CD2 4.3Å; H59-Y483 HydrophobicContact CB-CE2 4.15Å
60	D	98.8	Very high	98.6	Very high	104 Å²	104	41.8 Å²	41.8	56%	0.556	22%	0.217	S	C	*	.	H	α-helix	trans	-69.7	-38.1	175.5	-69.7	-14.4	0	0	0	111.9	N56 S57 V58 F62 S63 F64	N56-D60 VanDerWaalsContact O-CG 3.3Å; N56-D60 PolarHBondContact O-N 3.36Å; S57-D60 PolarHBondContact O-N 3.02Å; V58-D60 VanDerWaalsContact C-N 3.29Å; V58-D60 PolarHBondContact O-N 3.25Å; D60-F62 VanDerWaalsContact C-N 3.34Å; D60-S63 PolarHBondContact O-N 3.3Å; D60-F64 WeakPolarHBondContact O-CB 3.38Å; D60-F64 PolarHBondContact O-N 2.92Å
61	M	98.9	Very high	98.7	Very high	11 Å²	11	44.9 Å²	44.9	5%	0.054	23%	0.227	C	C	.	.	H	α-helix	trans	-60.8	-44.7	171.4	-68.4	172.3	66.7	0	0	111.1	S57 V58 F64 A65 M442 I445 N446 F455 F474 L479	S57-M61 WeakPolarHBondContact O-CG 3.2Å; S57-M61 PolarHBondContact O-N 3.23Å; V58-M61 WeakPolarHBondContact O-CB 3.35Å; V58-M61 PolarHBondContact O-N 3.06Å; M61-F64 PolarHBondContact O-N 3.32Å; M61-A65 PolarHBondContact O-N 3.2Å; M61-M442 HydrophobicContact SD-CG 3.64Å; M61-M442 HydrophobicContact SD-SD 4.47Å; M61-I445 HydrophobicContact CE-CB 4.36Å; M61-I445 HydrophobicContact CE-CG2 3.73Å; M61-N446 HydrophobicContact CE-CB 3.94Å; M61-N446 HydrophobicContact SD-CB 4.11Å; M61-F455 HydrophobicContact CB-CE2 4.13Å; M61-F455 HydrophobicContact CB-CZ 3.79Å; M61-F455 HydrophobicContact CE-CD1 4.48Å; M61-F455 HydrophobicContact CE-CE1 3.71Å; M61-F455 HydrophobicContact CE-CZ 3.78Å; M61-F455 HydrophobicContact CG-CZ 3.85Å; M61-F455 WeakPolarHBondContact O-CE2 3.35Å; M61-F474 HydrophobicContact CE-CZ 4.5Å; M61-L479 HydrophobicContact CB-CD1 4.31Å; M61-L479 HydrophobicContact CB-CD2 4.12Å; M61-L479 HydrophobicContact CE-CD2 3.98Å
62	F	98.9	Very high	98.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.4	-50.6	176.8	179.6	-81.7	0	0	0	110.7	V58 H59 D60 F64 A65 Y66 T116 L117 M120 K122 L475 L479	V58-F62 PolarHBondContact O-N 3.23Å; H59-F62 PolarHBondContact O-N 3.44Å; D60-F62 VanDerWaalsContact C-N 3.34Å; F62-F64 VanDerWaalsContact C-N 3.34Å; F62-F64 PolarHBondContact O-N 3.03Å; F62-A65 PolarHBondContact O-N 3.23Å; F62-Y66 HydrophobicContact CE1-CD1 4.3Å; F62-Y66 HydrophobicContact CE1-CD2 4.2Å; F62-Y66 AromaticContact CE1-CG 3.8Å; F62-Y66 HydrophobicContact CE1-CG 3.8Å; F62-Y66 HydrophobicContact CZ-CD2 4.06Å; F62-Y66 HydrophobicContact CZ-CG 4.13Å; F62-Y66 WeakPolarHBondContact O-CB 3.39Å; F62-Y66 PolarHBondContact O-N 2.94Å; F62-T116 HydrophobicContact CD2-CG2 3.98Å; F62-T116 HydrophobicContact CE2-CG2 3.47Å; F62-T116 VanDerWaalsContact CE2-CG2 3.47Å; F62-T116 HydrophobicContact CZ-CG2 4.16Å; F62-L117 HydrophobicContact CE1-CD2 3.52Å; F62-L117 HydrophobicContact CE1-CG 4.45Å; F62-L117 HydrophobicContact CZ-CD2 3.74Å; F62-L117 HydrophobicContact CZ-CG 4.2Å; F62-M120 HydrophobicContact CB-CE 3.93Å; F62-M120 HydrophobicContact CB-SD 3.73Å; F62-M120 HydrophobicContact CD1-SD 3.81Å; F62-M120 HydrophobicContact CD2-CE 3.65Å; F62-M120 HydrophobicContact CD2-SD 3.68Å; F62-M120 HydrophobicContact CE1-SD 4.4Å; F62-M120 HydrophobicContact CE2-CE 4.41Å; F62-M120 HydrophobicContact CE2-SD 4.26Å; F62-M120 HydrophobicContact CG-CE 3.87Å; F62-M120 HydrophobicContact CG-SD 3.44Å; F62-M120 WeakPolarHBondContact CG-SD 3.28Å; F62-K122 HydrophobicContact CD1-CD 3.97Å; F62-K122 HydrophobicContact CE1-CD 3.94Å; F62-L475 HydrophobicContact CD2-CB 4.35Å; F62-L475 HydrophobicContact CD2-CD2 3.78Å; F62-L475 HydrophobicContact CE2-CB 3.93Å; F62-L475 HydrophobicContact CE2-CD2 4.02Å; F62-L475 HydrophobicContact CE2-CG 4.48Å; F62-L475 HydrophobicContact CG-CD2 4.3Å; F62-L479 VanDerWaalsContact CA-CD1 3.45Å; F62-L479 HydrophobicContact CB-CD1 3.81Å; F62-L479 HydrophobicContact CD2-CB 4.4Å; F62-L479 HydrophobicContact CD2-CD1 4.26Å
63	S	98.8	Very high	98.7	Very high	16 Å²	16	41.5 Å²	41.5	11%	0.112	21%	0.21	C	C	.	.	H	α-helix	trans	-61.8	-42.2	-178.2	-56.8	0	0	0	0	111.2	H59 D60 A65 D67 K122	H59-S63 PolarHBondContact CE1-OG 2.91Å; H59-S63 WeakPolarHBondContact O-CB 3.45Å; H59-S63 PolarHBondContact O-N 2.89Å; H59-S63 PolarHBondContact O-OG 2.97Å; D60-S63 PolarHBondContact O-N 3.3Å; S63-A65 PolarHBondContact O-N 3.28Å; S63-D67 WeakPolarHBondContact O-CB 3.44Å; S63-D67 PolarHBondContact O-N 2.77Å; S63-K122 PolarHBondContact OG-NZ 2.58Å
64	F	98.8	Very high	98.7	Very high	56 Å²	56	39.2 Å²	39.2	25%	0.246	20%	0.196	C	C	.	.	H	α-helix	trans	-56.4	-47.4	175	169.9	-117.6	0	0	0	113	D60 M61 F62 S68 K450 A451 E452 G454 F455	D60-F64 WeakPolarHBondContact O-CB 3.38Å; D60-F64 PolarHBondContact O-N 2.92Å; M61-F64 PolarHBondContact O-N 3.32Å; F62-F64 VanDerWaalsContact C-N 3.34Å; F62-F64 PolarHBondContact O-N 3.03Å; F64-S68 VanDerWaalsContact O-CB 3.25Å; F64-S68 WeakPolarHBondContact O-CB 3.19Å; F64-S68 PolarHBondContact O-N 3.44Å; F64-S68 PolarHBondContact O-OG 3.12Å; F64-K450 HydrophobicContact CE1-CD 4.38Å; F64-K450 HydrophobicContact CE1-CG 3.95Å; F64-A451 WeakPolarHBondContact CZ-O 3.48Å; F64-E452 WeakPolarHBondContact CZ-O 3.4Å; F64-G454 WeakPolarHBondContact CE1-O 3.39Å; F64-F455 HydrophobicContact CD1-CD2 4.45Å; F64-F455 AromaticContact CD1-CE2 3.73Å; F64-F455 HydrophobicContact CD1-CE2 3.73Å; F64-F455 HydrophobicContact CD1-CZ 4.06Å; F64-F455 HydrophobicContact CE1-CE2 4.3Å
65	A	98.9	Very high	98.7	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-75.5	-42.1	-178.3	0	0	0	0	0	112.7	M61 F62 S63 S68 Y69 F455 M470 F474 L475	M61-A65 PolarHBondContact O-N 3.2Å; F62-A65 PolarHBondContact O-N 3.23Å; S63-A65 PolarHBondContact O-N 3.28Å; A65-S68 PolarHBondContact O-N 3.03Å; A65-Y69 PolarHBondContact O-N 3.38Å; A65-F455 HydrophobicContact CB-CD2 3.93Å; A65-F455 HydrophobicContact CB-CE2 4.06Å; A65-M470 HydrophobicContact CB-CE 4.04Å; A65-M470 HydrophobicContact CB-SD 3.77Å; A65-F474 HydrophobicContact CB-CE1 4.45Å; A65-L475 HydrophobicContact CB-CD2 3.62Å
66	Y	98.9	Very high	98.7	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.008	24%	0.236	C	C	.	.	H	α-helix	trans	-66.9	-46.5	179.3	-179.7	-98.8	0	0	0	112.1	F62 S68 Y69 L70 L110 L117 D125 A129 L475	F62-Y66 HydrophobicContact CE1-CD1 4.3Å; F62-Y66 HydrophobicContact CE1-CD2 4.2Å; F62-Y66 AromaticContact CE1-CG 3.8Å; F62-Y66 HydrophobicContact CE1-CG 3.8Å; F62-Y66 HydrophobicContact CZ-CD2 4.06Å; F62-Y66 HydrophobicContact CZ-CG 4.13Å; F62-Y66 WeakPolarHBondContact O-CB 3.39Å; F62-Y66 PolarHBondContact O-N 2.94Å; Y66-S68 VanDerWaalsContact C-N 3.25Å; Y66-S68 PolarHBondContact O-N 2.9Å; Y66-Y69 WeakPolarHBondContact O-CB 3.29Å; Y66-Y69 PolarHBondContact O-N 3.5Å; Y66-Y69 VanDerWaalsContact O-N 3.13Å; Y66-L70 HydrophobicContact CD1-CD1 4.07Å; Y66-L70 HydrophobicContact CD1-CG 4.41Å; Y66-L70 HydrophobicContact CE1-CD1 3.38Å; Y66-L70 HydrophobicContact CE1-CG 3.93Å; Y66-L70 PolarHBondContact O-N 3.43Å; Y66-L110 HydrophobicContact CE2-CD1 4.41Å; Y66-L117 HydrophobicContact CD1-CD2 4.16Å; Y66-L117 HydrophobicContact CD2-CD2 4.42Å; Y66-L117 HydrophobicContact CE1-CD1 4.44Å; Y66-L117 HydrophobicContact CE1-CD2 3.85Å; Y66-L117 HydrophobicContact CE2-CD1 4Å; Y66-L117 HydrophobicContact CE2-CD2 4.16Å; Y66-L117 HydrophobicContact CE2-CG 4.44Å; Y66-L117 HydrophobicContact CG-CD2 4.43Å; Y66-L117 WeakPolarHBondContact OH-CD1 3.38Å; Y66-D125 HydrophobicContact CE1-CB 4.46Å; Y66-A129 WeakPolarHBondContact OH-CB 3.21Å; Y66-L475 HydrophobicContact CD2-CD1 4.18Å
67	D	98.8	Very high	98.7	Very high	80 Å²	80	43.8 Å²	43.8	43%	0.428	22%	0.216	S	C	.	.	H	α-helix	trans	-64.6	-35.4	178.4	-64.7	-14	0	0	0	111	S63 L70 K71	S63-D67 WeakPolarHBondContact O-CB 3.44Å; S63-D67 PolarHBondContact O-N 2.77Å; D67-L70 PolarHBondContact O-N 2.97Å; D67-K71 VanDerWaalsContact O-CB 3.29Å; D67-K71 WeakPolarHBondContact O-CB 3.15Å; D67-K71 PolarHBondContact O-N 3.19Å
68	S	98.9	Very high	98.7	Very high	13 Å²	13	41.5 Å²	41.5	9%	0.091	20%	0.2	C	C	.	.	H	α-helix	trans	-68.4	-39.2	173.9	-63.5	0	0	0	0	112.1	F64 A65 Y66 K71 Y72 C453	F64-S68 VanDerWaalsContact O-CB 3.25Å; F64-S68 WeakPolarHBondContact O-CB 3.19Å; F64-S68 PolarHBondContact O-N 3.44Å; F64-S68 PolarHBondContact O-OG 3.12Å; A65-S68 PolarHBondContact O-N 3.03Å; Y66-S68 VanDerWaalsContact C-N 3.25Å; Y66-S68 PolarHBondContact O-N 2.9Å; S68-K71 PolarHBondContact O-N 3.37Å; S68-Y72 WeakPolarHBondContact O-CB 3.39Å; S68-Y72 WeakPolarHBondContact O-CD2 3.35Å; S68-Y72 PolarHBondContact O-N 3.16Å; S68-C453 WeakPolarHBondContact CB-O 3.41Å; S68-C453 PolarHBondContact OG-O 3.01Å
69	Y	98.9	Very high	98.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.2	C	C	.	.	I	π-helix	trans	-60	-48.1	171	166.8	-99.3	0	0	0	110.8	A65 Y66 K71 G73 F74 Y76 L79 T109 L110	A65-Y69 PolarHBondContact O-N 3.38Å; Y66-Y69 WeakPolarHBondContact O-CB 3.29Å; Y66-Y69 PolarHBondContact O-N 3.5Å; Y66-Y69 VanDerWaalsContact O-N 3.13Å; Y69-K71 PolarHBondContact O-N 3.26Å; Y69-G73 CarbonylContact O-C 3.53Å; Y69-G73 WeakPolarHBondContact O-CA 3.39Å; Y69-G73 PolarHBondContact O-N 2.68Å; Y69-F74 PolarHBondContact O-N 3.16Å; Y69-Y76 WeakPolarHBondContact CE2-O 3.47Å; Y69-Y76 PolarHBondContact OH-O 3.46Å; Y69-L79 HydrophobicContact CD2-CB 4.23Å; Y69-T109 HydrophobicContact CD1-CG2 3.91Å; Y69-T109 HydrophobicContact CD2-CG2 3.88Å; Y69-T109 HydrophobicContact CE1-CG2 4.17Å; Y69-T109 HydrophobicContact CE2-CG2 4.15Å; Y69-T109 HydrophobicContact CG-CG2 3.77Å; Y69-L110 HydrophobicContact CE1-CB 3.87Å; Y69-L110 HydrophobicContact CE1-CD1 4.39Å
70	L	98.8	Very high	98.7	Very high	55 Å²	55	40.6 Å²	40.6	29%	0.288	20%	0.197	S	C	.	.	I	π-helix	trans	-60.9	-34.3	177.3	-72.4	-175.7	0	0	0	113	Y66 D67 L110 L132	Y66-L70 HydrophobicContact CD1-CD1 4.07Å; Y66-L70 HydrophobicContact CD1-CG 4.41Å; Y66-L70 HydrophobicContact CE1-CD1 3.38Å; Y66-L70 HydrophobicContact CE1-CG 3.93Å; Y66-L70 PolarHBondContact O-N 3.43Å; D67-L70 PolarHBondContact O-N 2.97Å; L70-L110 HydrophobicContact CD2-CD1 3.95Å; L70-L132 HydrophobicContact CD2-CD1 4.06Å
71	K	98.7	Very high	98.7	Very high	145 Å²	145	35.6 Å²	35.6	63%	0.63	17%	0.17	S	C	*	.	I	π-helix	trans	-80.4	-39.4	-177.6	-175.8	174.4	176.7	-165	0	113.9	D67 S68 Y69	D67-K71 VanDerWaalsContact O-CB 3.29Å; D67-K71 WeakPolarHBondContact O-CB 3.15Å; D67-K71 PolarHBondContact O-N 3.19Å; S68-K71 PolarHBondContact O-N 3.37Å; Y69-K71 PolarHBondContact O-N 3.26Å
72	Y	98.7	Very high	98.7	Very high	89 Å²	89	38.3 Å²	38.3	35%	0.349	18%	0.184	S	C	.	.	I	π-helix	trans	-120.8	-28.7	-167.8	-60.8	-68.7	0	0	0	113.5	S68 C84 G86 C453	S68-Y72 WeakPolarHBondContact O-CB 3.39Å; S68-Y72 WeakPolarHBondContact O-CD2 3.35Å; S68-Y72 PolarHBondContact O-N 3.16Å; Y72-C84 WeakPolarHBondContact CB-O 3.43Å; Y72-C84 HydrophobicContact CD1-CB 4.13Å; Y72-C84 HydrophobicContact CD2-CB 4.3Å; Y72-C84 HydrophobicContact CE1-CB 4.43Å; Y72-C84 HydrophobicContact CG-CB 4.05Å; Y72-G86 PolarHBondContact O-N 3.26Å; Y72-C453 HydrophobicContact CD2-CB 4.07Å; Y72-C453 HydrophobicContact CE2-CB 4.33Å; Y72-C453 WeakPolarHBondContact CE2-SG 3.48Å
73	G	98.4	Very high	98.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.213	C	C	.	.	I	π-helix	trans	-89.6	-43.9	-177.2	0	0	0	0	0	113.4	Y69 Y76	Y69-G73 CarbonylContact O-C 3.53Å; Y69-G73 WeakPolarHBondContact O-CA 3.39Å; Y69-G73 PolarHBondContact O-N 2.68Å; G73-Y76 WeakPolarHBondContact O-CA 3.26Å; G73-Y76 VanDerWaalsContact O-CB 3.23Å; G73-Y76 WeakPolarHBondContact O-CB 3.48Å; G73-Y76 WeakPolarHBondContact O-CD2 3.41Å; G73-Y76 PolarHBondContact O-N 2.77Å
74	F	98.6	Very high	98.7	Very high	57 Å²	57	44 Å²	44	25%	0.25	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	136.3	-179.6	178.6	-91.7	0	0	0	111.6	Y69 L107 L110 L132 N136	Y69-F74 PolarHBondContact O-N 3.16Å; F74-L107 HydrophobicContact CD2-CD2 4.4Å; F74-L107 HydrophobicContact CE2-CD1 4.49Å; F74-L107 HydrophobicContact CE2-CD2 4.16Å; F74-L110 HydrophobicContact CD2-CD2 4.35Å; F74-L110 HydrophobicContact CE2-CD2 4.19Å; F74-L132 HydrophobicContact CE2-CB 4.41Å; F74-L132 HydrophobicContact CE2-CD2 4.47Å; F74-L132 HydrophobicContact CZ-CD2 4.06Å; F74-N136 HydrophobicContact CZ-CB 4.44Å
75	P	97.7	Very high	98.6	Very high	77 Å²	77	44.7 Å²	44.7	50%	0.5	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	cis	-97.1	28.4	7.3	40.3	-37.3	0	0	0	114.3	L107	P75-L107 HydrophobicContact CB-CD2 3.95Å; P75-L107 WeakPolarHBondContact O-CD2 3.23Å
76	Y	98.6	Very high	98.6	Very high	120 Å²	120	45.6 Å²	45.6	47%	0.471	23%	0.233	S	C	.	.	S	Bend	trans	-81	168.5	174	-61.3	-88.7	0	0	0	111.4	Y69 G73 R87	Y69-Y76 WeakPolarHBondContact CE2-O 3.47Å; Y69-Y76 PolarHBondContact OH-O 3.46Å; G73-Y76 WeakPolarHBondContact O-CA 3.26Å; G73-Y76 VanDerWaalsContact O-CB 3.23Å; G73-Y76 WeakPolarHBondContact O-CB 3.48Å; G73-Y76 WeakPolarHBondContact O-CD2 3.41Å; G73-Y76 PolarHBondContact O-N 2.77Å; Y76-R87 WeakPolarHBondContact CB-O 3.5Å
77	D	98.8	Very high	98.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	-66.6	-41.6	-178.6	-72.5	-39.3	0	0	0	112.8	R87 L103 G104 D105 Y106 L107 L108 T109	D77-R87 PolarHBondContact N-O 2.92Å; D77-L103 HydrophobicContact CB-CB 4.27Å; D77-L103 HydrophobicContact CB-CD2 3.78Å; D77-L103 HydrophobicContact CB-CG 4.4Å; D77-L103 WeakPolarHBondContact OD2-CA 3.45Å; D77-L103 WeakPolarHBondContact OD2-CB 3.42Å; D77-G104 PolarHBondContact OD2-N 2.84Å; D77-D105 WeakPolarHBondContact OD2-CA 3.36Å; D77-D105 PolarHBondContact OD2-N 2.83Å; D77-Y106 VanDerWaalsContact OD1-CD2 3.28Å; D77-Y106 WeakPolarHBondContact OD1-CD2 3.35Å; D77-Y106 PolarHBondContact OD1-N 2.95Å; D77-L107 PolarHBondContact OD1-N 3.25Å; D77-L108 HydrophobicContact CB-CB 3.67Å; D77-L108 PolarHBondContact OD1-N 3.45Å; D77-T109 WeakPolarHBondContact O-CB 3.35Å; D77-T109 PolarHBondContact O-N 3Å; D77-T109 PolarHBondContact O-OG1 3.04Å
78	E	98.6	Very high	98.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	175	-175.6	-70.7	-171.5	159	0	0	112	G86 R87 L103 L108 R469 E471 S472	E78-G86 WeakPolarHBondContact O-CA 3Å; E78-R87 HydrophobicContact CB-CB 4.32Å; E78-R87 PolarHBondContact N-O 3.18Å; E78-R87 PolarHBondContact O-N 3.33Å; E78-L103 HydrophobicContact CB-CD2 4.5Å; E78-L103 HydrophobicContact CG-CD2 3.71Å; E78-L108 HydrophobicContact CG-CD2 4.46Å; E78-R469 IonicContact OE2-NE 3.6Å; E78-R469 PolarHBondContact OE2-NE 3.39Å; E78-R469 IonicContact OE2-NH2 2.8Å; E78-E471 WeakPolarHBondContact OE1-CA 3.43Å; E78-S472 PolarHBondContact OE1-N 2.85Å; E78-S472 PolarHBondContact OE1-OG 2.98Å
79	L	98.6	Very high	98.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134.7	174.3	174.8	68.1	0	0	0	109.6	Y69 P81 C453 M470	Y69-L79 HydrophobicContact CD2-CB 4.23Å; L79-P81 VanDerWaalsContact O-CD 3.24Å; L79-P81 WeakPolarHBondContact O-CD 3.5Å; L79-C453 HydrophobicContact CD2-CB 4.21Å; L79-C453 WeakPolarHBondContact CD2-O 3.44Å; L79-M470 HydrophobicContact CB-CE 4.18Å; L79-M470 HydrophobicContact CD2-CE 4.02Å; L79-M470 PolarHBondContact O-N 3.04Å
80	N	98.7	Very high	98.4	Very high	27 Å²	27	47.5 Å²	47.5	14%	0.144	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	104.4	159.1	-75.3	-2.6	0	0	0	107.9	I82 C84 V85 R87 D468	N80-I82 PolarHBondContact O-N 3.46Å; N80-C84 VanDerWaalsContact O-CA 3.31Å; N80-C84 WeakPolarHBondContact O-CA 3.06Å; N80-C84 PolarHBondContact O-N 2.92Å; N80-V85 HydrophobicContact CB-CG2 3.91Å; N80-V85 WeakPolarHBondContact CB-O 3.39Å; N80-V85 PolarHBondContact N-O 3.5Å; N80-V85 PolarHBondContact O-N 2.59Å; N80-R87 WeakPolarHBondContact OD1-CD 3.36Å; N80-D468 VanDerWaalsContact CA-OD1 3.3Å; N80-D468 WeakPolarHBondContact CA-OD1 3.12Å; N80-D468 WeakPolarHBondContact CB-OD1 3.5Å; N80-D468 WeakPolarHBondContact CB-OD2 3.41Å; N80-D468 PolarHBondContact OD1-O 2.82Å
81	P	98.7	Very high	98.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-11.4	-167.7	34.9	-41.6	0	0	0	115.5	L79 A451 E452 C453 A456 D468 M470	L79-P81 VanDerWaalsContact O-CD 3.24Å; L79-P81 WeakPolarHBondContact O-CD 3.5Å; P81-A451 HydrophobicContact CB-CB 4.11Å; P81-A451 HydrophobicContact CG-CB 4.4Å; P81-A451 WeakPolarHBondContact O-CB 3.44Å; P81-E452 PolarHBondContact O-N 3.46Å; P81-C453 PolarHBondContact O-N 3.37Å; P81-A456 HydrophobicContact CG-CB 3.87Å; P81-D468 WeakPolarHBondContact CD-OD1 3.03Å; P81-M470 HydrophobicContact CB-CB 4.39Å; P81-M470 HydrophobicContact CG-CB 4.04Å
82	I	98.7	Very high	98.2	Very high	67 Å²	67	53 Å²	53	34%	0.344	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-53.5	175.4	-55.1	176.8	0	0	0	109.3	N80 C84 A451 A456 K466 D468	N80-I82 PolarHBondContact O-N 3.46Å; I82-C84 VanDerWaalsContact C-N 3.29Å; I82-C84 PolarHBondContact O-N 3.17Å; I82-A451 HydrophobicContact CG1-CB 3.97Å; I82-A456 HydrophobicContact CD1-CB 4.3Å; I82-A456 HydrophobicContact CG1-CB 4.2Å; I82-K466 HydrophobicContact CD1-CB 3.76Å; I82-K466 HydrophobicContact CD1-CD 4.42Å; I82-D468 HydrophobicContact CB-CB 4.14Å; I82-D468 WeakPolarHBondContact CB-OD1 3.28Å; I82-D468 HydrophobicContact CD1-CB 3.98Å; I82-D468 HydrophobicContact CG1-CB 4.19Å; I82-D468 PolarHBondContact N-OD1 3.34Å
83	D	98.6	Very high	98.1	Very high	113 Å²	113	52.2 Å²	52.2	60%	0.604	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-8.9	-179	-69.8	-14.9	0	0	0	113.2	V85 D468	D83-V85 HydrophobicContact CB-CG2 4.08Å; D83-D468 WeakPolarHBondContact CB-OD2 3.43Å; D83-D468 PolarHBondContact N-OD2 3.04Å
84	C	98.7	Very high	97.7	Very high	24 Å²	24	55.2 Å²	55.2	16%	0.162	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	50.7	-179.9	-55.8	0	0	0	0	112.6	Y72 N80 I82 E452 C453	Y72-C84 WeakPolarHBondContact CB-O 3.43Å; Y72-C84 HydrophobicContact CD1-CB 4.13Å; Y72-C84 HydrophobicContact CD2-CB 4.3Å; Y72-C84 HydrophobicContact CE1-CB 4.43Å; Y72-C84 HydrophobicContact CG-CB 4.05Å; N80-C84 VanDerWaalsContact O-CA 3.31Å; N80-C84 WeakPolarHBondContact O-CA 3.06Å; N80-C84 PolarHBondContact O-N 2.92Å; I82-C84 VanDerWaalsContact C-N 3.29Å; I82-C84 PolarHBondContact O-N 3.17Å; C84-E452 VanDerWaalsContact SG-CG 3.56Å; C84-C453 HydrophobicContact CB-CB 3.8Å; C84-C453 WeakPolarHBondContact CB-SG 3.46Å; C84-C453 WeakPolarHBondContact SG-CB 3.39Å; C84-C453 CovalentContact SG-SG 2.02Å; C84-C453 PolarHBondContact SG-SG 2.9Å
85	V	98.6	Very high	97.4	Very high	69 Å²	69	57.7 Å²	57.7	42%	0.418	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	147.7	179.3	-64.9	0	0	0	0	111.6	N80 D83	N80-V85 HydrophobicContact CB-CG2 3.91Å; N80-V85 WeakPolarHBondContact CB-O 3.39Å; N80-V85 PolarHBondContact N-O 3.5Å; N80-V85 PolarHBondContact O-N 2.59Å; D83-V85 HydrophobicContact CB-CG2 4.08Å
86	G	98.4	Very high	97.3	Very high	19 Å²	19	56 Å²	56	20%	0.196	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	150	174.7	0	0	0	0	0	113.7	Y72 E78	Y72-G86 PolarHBondContact O-N 3.26Å; E78-G86 WeakPolarHBondContact O-CA 3Å
87	R	97.6	Very high	97.1	Very high	62 Å²	62	53.6 Å²	53.6	23%	0.234	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	124.9	179.1	-176.4	-165.2	-175.6	104.6	0.4	109.3	Y76 D77 E78 N80 L103	Y76-R87 WeakPolarHBondContact CB-O 3.5Å; D77-R87 PolarHBondContact N-O 2.92Å; E78-R87 HydrophobicContact CB-CB 4.32Å; E78-R87 PolarHBondContact N-O 3.18Å; E78-R87 PolarHBondContact O-N 3.33Å; N80-R87 WeakPolarHBondContact OD1-CD 3.36Å; R87-L103 HydrophobicContact CG-CD1 3.8Å
88	G	97.7	Very high	96.8	Very high	14 Å²	14	59.6 Å²	59.6	14%	0.144	31%	0.313	C	S	.	.			trans	-129.9	-157.9	176.2	0	0	0	0	0	111.5	L103	G88-L103 WeakPolarHBondContact O-CD1 3.33Å
89	Y	97.9	Very high	96.7	Very high	15 Å²	15	60 Å²	60	6%	0.059	32%	0.315	C	S	.	.			trans	-57.8	138	178.9	-169.2	-84.7	0	0	0	112.1	H91 N100 L103 D105 T143 R144	Y89-H91 VanDerWaalsContact C-N 3.35Å; Y89-H91 AromaticContact CD1-CE1 3.95Å; Y89-H91 AromaticContact CD1-ND1 3.99Å; Y89-H91 PolarHBondContact O-CD2 3.14Å; Y89-H91 VanDerWaalsContact O-CD2 3.24Å; Y89-H91 PolarHBondContact O-N 3.06Å; Y89-N100 HydrophobicContact CD2-CB 4Å; Y89-N100 HydrophobicContact CE2-CB 3.47Å; Y89-N100 VanDerWaalsContact CE2-CB 3.47Å; Y89-N100 VanDerWaalsContact CE2-CG 3.5Å; Y89-L103 WeakPolarHBondContact CD2-O 3.36Å; Y89-D105 PolarHBondContact N-OD1 3.03Å; Y89-T143 HydrophobicContact CD1-CG2 3.86Å; Y89-T143 VanDerWaalsContact CD2-CB 3.44Å; Y89-T143 HydrophobicContact CD2-CG2 3.43Å; Y89-T143 VanDerWaalsContact CD2-CG2 3.43Å; Y89-T143 HydrophobicContact CE1-CG2 4.32Å; Y89-T143 HydrophobicContact CE2-CG2 3.94Å; Y89-T143 HydrophobicContact CG-CG2 3.42Å; Y89-T143 VanDerWaalsContact CG-CG2 3.42Å; Y89-R144 WeakPolarHBondContact CE2-O 3.37Å; Y89-R144 PolarHBondContact OH-N 2.73Å
90	D	97.5	Very high	96.6	Very high	44 Å²	44	60 Å²	60	24%	0.235	32%	0.316	C	S	.	.			trans	-79.1	82.9	173.8	-170.2	-10.8	0	0	0	110.8	K92 N93 N96 N100	D90-K92 PolarHBondContact O-N 3.07Å; D90-K92 PolarHBondContact OD1-N 2.99Å; D90-K92 VanDerWaalsContact OD1-N 3.13Å; D90-N93 CarbonylContact O-C 3.59Å; D90-N93 PolarHBondContact O-N 3.04Å; D90-N93 PolarHBondContact OD1-N 3.08Å; D90-N96 HydrophobicContact CB-CB 4.13Å; D90-N96 PolarHBondContact OD2-ND2 3.42Å; D90-N100 WeakPolarHBondContact CB-OD1 3.43Å; D90-N100 PolarHBondContact N-OD1 2.89Å
91	H	96.1	Very high	96.5	Very high	110 Å²	110	59.8 Å²	59.8	51%	0.509	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.8	177.4	-72	-80.2	0	0	0	113.7	Y89 D105	Y89-H91 VanDerWaalsContact C-N 3.35Å; Y89-H91 AromaticContact CD1-CE1 3.95Å; Y89-H91 AromaticContact CD1-ND1 3.99Å; Y89-H91 PolarHBondContact O-CD2 3.14Å; Y89-H91 VanDerWaalsContact O-CD2 3.24Å; Y89-H91 PolarHBondContact O-N 3.06Å; H91-D105 IonicContact CD2-OD2 2.72Å; H91-D105 IonicContact CE1-OD2 2.77Å; H91-D105 PolarHBondContact CE1-OD2 2.89Å; H91-D105 IonicContact NE2-OD2 3.78Å; H91-D105 PolarHBondContact NE2-OD2 3.34Å
92	K	96.8	Very high	96.5	Very high	205 Å²	205	60 Å²	60	89%	0.891	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-28	178.8	-66.8	178.3	-178.3	171.6	0	111.4	D90	D90-K92 PolarHBondContact O-N 3.07Å; D90-K92 PolarHBondContact OD1-N 2.99Å; D90-K92 VanDerWaalsContact OD1-N 3.13Å
93	N	96.2	Very high	96.5	Very high	74 Å²	74	56.9 Å²	56.9	40%	0.396	30%	0.3	S	S	.	.			trans	-135.4	84.5	176.7	-176.4	13.3	0	0	0	111	D90 D95 N96 N100	D90-N93 CarbonylContact O-C 3.59Å; D90-N93 PolarHBondContact O-N 3.04Å; D90-N93 PolarHBondContact OD1-N 3.08Å; N93-D95 PolarHBondContact O-N 3.47Å; N93-D95 PolarHBondContact OD1-N 3.05Å; N93-N96 HydrophobicContact CB-CB 4.23Å; N93-N96 WeakPolarHBondContact O-CB 3.4Å; N93-N96 PolarHBondContact O-N 2.89Å; N93-N100 PolarHBondContact O-ND2 3.12Å; N93-N100 VanDerWaalsContact O-ND2 3.09Å
94	P	91.3	Very high	96.4	Very high	63 Å²	63	51.5 Å²	51.5	41%	0.409	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-21.4	177.8	-27.9	36.8	0	0	0	114.9	N96 N100 R144	P94-N96 VanDerWaalsContact C-N 3.32Å; P94-N100 WeakPolarHBondContact CA-ND2 3.42Å; P94-N100 PolarHBondContact O-ND2 3.47Å; P94-N100 VanDerWaalsContact O-ND2 3.09Å; P94-R144 PolarHBondContact O-NH2 2.69Å
95	D	92.8	Very high	96.4	Very high	108 Å²	108	51.8 Å²	51.8	58%	0.578	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	5.5	177	-63.6	-40.8	0	0	0	113.9	N93 I97 R144	N93-D95 PolarHBondContact O-N 3.47Å; N93-D95 PolarHBondContact OD1-N 3.05Å; D95-I97 PolarHBondContact O-N 2.77Å; D95-R144 IonicContact OD1-CZ 2.74Å; D95-R144 IonicContact OD1-NH1 3Å; D95-R144 IonicContact OD1-NH2 3.72Å; D95-R144 PolarHBondContact OD1-NH2 2.73Å
96	N	95.5	Very high	96.4	Very high	42 Å²	42	48.5 Å²	48.5	23%	0.225	25%	0.252	C	S	.	.			trans	-73.5	68.5	171.1	-167.6	-1	0	0	0	111.5	D90 N93 P94 N98 V99 N100	D90-N96 HydrophobicContact CB-CB 4.13Å; D90-N96 PolarHBondContact OD2-ND2 3.42Å; N93-N96 HydrophobicContact CB-CB 4.23Å; N93-N96 WeakPolarHBondContact O-CB 3.4Å; N93-N96 PolarHBondContact O-N 2.89Å; P94-N96 VanDerWaalsContact C-N 3.32Å; N96-N98 PolarHBondContact O-N 2.86Å; N96-V99 WeakPolarHBondContact ND2-CG2 3.47Å; N96-V99 PolarHBondContact O-N 3.13Å; N96-N100 WeakPolarHBondContact O-CB 3.46Å; N96-N100 PolarHBondContact O-N 3.06Å
97	I	93.3	Very high	96.4	Very high	69 Å²	69	48 Å²	48	35%	0.354	24%	0.244	S	C	.	.	H	α-helix	trans	-59	-29.6	-175.2	61.5	173.1	0	0	0	113.3	D95 V99 D101	D95-I97 PolarHBondContact O-N 2.77Å; I97-V99 PolarHBondContact O-N 3Å; I97-D101 WeakPolarHBondContact O-CB 3.29Å; I97-D101 PolarHBondContact O-N 3.16Å; I97-D101 VanDerWaalsContact O-N 3.08Å
98	N	92.9	Very high	96.4	Very high	126 Å²	126	45 Å²	45	67%	0.674	23%	0.233	S	C	*	.	H	α-helix	trans	-61.5	-16.4	176.6	-67.3	-25.3	0	0	0	113.4	N96 R469	N96-N98 PolarHBondContact O-N 2.86Å; N98-R469 PolarHBondContact O-NH1 2.98Å
99	V	96.3	Very high	96.5	Very high	8 Å²	8	44.5 Å²	44.5	5%	0.048	23%	0.227	C	C	.	.	H	α-helix	trans	-113.7	-54	176.9	-175.9	0	0	0	0	109.7	N96 I97 D101 A102 L103	N96-V99 WeakPolarHBondContact ND2-CG2 3.47Å; N96-V99 PolarHBondContact O-N 3.13Å; I97-V99 PolarHBondContact O-N 3Å; V99-D101 VanDerWaalsContact C-N 3.29Å; V99-D101 PolarHBondContact O-N 3.09Å; V99-A102 PolarHBondContact O-N 3.35Å; V99-L103 HydrophobicContact CG1-CB 4.36Å; V99-L103 HydrophobicContact CG1-CD1 3.59Å; V99-L103 HydrophobicContact CG1-CG 4.03Å; V99-L103 WeakPolarHBondContact O-CB 3.19Å; V99-L103 WeakPolarHBondContact O-CG 3.17Å; V99-L103 PolarHBondContact O-N 3.35Å
100	N	97	Very high	96.5	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-74.4	-15.6	-167.9	-65.1	-9.9	0	0	0	114	Y89 D90 N93 P94 N96 A102 R144 V145	Y89-N100 HydrophobicContact CD2-CB 4Å; Y89-N100 HydrophobicContact CE2-CB 3.47Å; Y89-N100 VanDerWaalsContact CE2-CB 3.47Å; Y89-N100 VanDerWaalsContact CE2-CG 3.5Å; D90-N100 WeakPolarHBondContact CB-OD1 3.43Å; D90-N100 PolarHBondContact N-OD1 2.89Å; N93-N100 PolarHBondContact O-ND2 3.12Å; N93-N100 VanDerWaalsContact O-ND2 3.09Å; P94-N100 WeakPolarHBondContact CA-ND2 3.42Å; P94-N100 PolarHBondContact O-ND2 3.47Å; P94-N100 VanDerWaalsContact O-ND2 3.09Å; N96-N100 WeakPolarHBondContact O-CB 3.46Å; N96-N100 PolarHBondContact O-N 3.06Å; N100-A102 VanDerWaalsContact C-N 3.28Å; N100-A102 PolarHBondContact O-N 3.18Å; N100-R144 VanDerWaalsContact O-O 3.12Å; N100-V145 WeakPolarHBondContact O-CA 3.27Å
101	D	96.9	Very high	96.6	Very high	23 Å²	23	41.7 Å²	41.7	12%	0.123	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-39.6	174.2	-79.9	2.7	0	0	0	111.3	I97 V99 Q146 R210	I97-D101 WeakPolarHBondContact O-CB 3.29Å; I97-D101 PolarHBondContact O-N 3.16Å; I97-D101 VanDerWaalsContact O-N 3.08Å; V99-D101 VanDerWaalsContact C-N 3.29Å; V99-D101 PolarHBondContact O-N 3.09Å; D101-Q146 HydrophobicContact CB-CB 3.76Å; D101-Q146 WeakPolarHBondContact O-CB 3.5Å; D101-Q146 PolarHBondContact O-N 2.86Å; D101-R210 VanDerWaalsContact CG-NH2 3.28Å; D101-R210 IonicContact OD1-CZ 3.03Å; D101-R210 VanDerWaalsContact OD1-CZ 3.25Å; D101-R210 IonicContact OD1-NE 2.62Å; D101-R210 PolarHBondContact OD1-NE 3.48Å; D101-R210 IonicContact OD1-NH2 2.74Å; D101-R210 PolarHBondContact OD1-NH2 3.37Å; D101-R210 IonicContact OD2-CZ 3.32Å; D101-R210 IonicContact OD2-NE 3.94Å; D101-R210 IonicContact OD2-NH2 2.73Å; D101-R210 PolarHBondContact OD2-NH2 3.46Å
102	A	97.7	Very high	96.7	Very high	5 Å²	5	36.4 Å²	36.4	4%	0.041	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-27.5	-178.3	0	0	0	0	0	114	V99 N100 Y106 L108 E149	V99-A102 PolarHBondContact O-N 3.35Å; N100-A102 VanDerWaalsContact C-N 3.28Å; N100-A102 PolarHBondContact O-N 3.18Å; A102-Y106 WeakPolarHBondContact O-CE2 3.5Å; A102-Y106 PolarHBondContact O-OH 3.49Å; A102-L108 HydrophobicContact CB-CD2 4.45Å; A102-L108 WeakPolarHBondContact O-CD2 3.47Å; A102-E149 HydrophobicContact CB-CB 4.13Å; A102-E149 HydrophobicContact CB-CG 4.04Å
103	L	98.4	Very high	96.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.146	C	C	.	.			trans	-94.7	126.9	179.7	-51.1	-164.9	0	0	0	108.6	D77 E78 R87 G88 Y89 V99 L108	D77-L103 HydrophobicContact CB-CB 4.27Å; D77-L103 HydrophobicContact CB-CD2 3.78Å; D77-L103 HydrophobicContact CB-CG 4.4Å; D77-L103 WeakPolarHBondContact OD2-CA 3.45Å; D77-L103 WeakPolarHBondContact OD2-CB 3.42Å; E78-L103 HydrophobicContact CB-CD2 4.5Å; E78-L103 HydrophobicContact CG-CD2 3.71Å; R87-L103 HydrophobicContact CG-CD1 3.8Å; G88-L103 WeakPolarHBondContact O-CD1 3.33Å; Y89-L103 WeakPolarHBondContact CD2-O 3.36Å; V99-L103 HydrophobicContact CG1-CB 4.36Å; V99-L103 HydrophobicContact CG1-CD1 3.59Å; V99-L103 HydrophobicContact CG1-CG 4.03Å; V99-L103 WeakPolarHBondContact O-CB 3.19Å; V99-L103 WeakPolarHBondContact O-CG 3.17Å; V99-L103 PolarHBondContact O-N 3.35Å; L103-L108 HydrophobicContact CD2-CD2 3.75Å
104	G	97.8	Very high	97	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.127	C	C	.	.			trans	-132.5	5.8	-173	0	0	0	0	0	114.9	D77 T143 L213	D77-G104 PolarHBondContact OD2-N 2.84Å; G104-T143 PolarHBondContact O-OG1 2.85Å; G104-L213 WeakPolarHBondContact O-CD1 3.36Å
105	D	97.9	Very high	97.3	Very high	31 Å²	31	20.1 Å²	20.1	17%	0.166	11%	0.108	C	C	.	.	S	Bend	trans	57.3	47.8	-166.3	-57.5	-35.6	0	0	0	112.8	D77 Y89 H91 Q141	D77-D105 WeakPolarHBondContact OD2-CA 3.36Å; D77-D105 PolarHBondContact OD2-N 2.83Å; Y89-D105 PolarHBondContact N-OD1 3.03Å; H91-D105 IonicContact CD2-OD2 2.72Å; H91-D105 IonicContact CE1-OD2 2.77Å; H91-D105 PolarHBondContact CE1-OD2 2.89Å; H91-D105 IonicContact NE2-OD2 3.78Å; H91-D105 PolarHBondContact NE2-OD2 3.34Å; D105-Q141 HydrophobicContact CB-CG 4.24Å; D105-Q141 PolarHBondContact O-NE2 3.36Å
106	Y	97.9	Very high	97.6	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	-129.2	28.4	-174.6	51.7	-153.7	0	0	0	113.4	D77 A102 L108 L137 F139 V145 V154 L213	D77-Y106 VanDerWaalsContact OD1-CD2 3.28Å; D77-Y106 WeakPolarHBondContact OD1-CD2 3.35Å; D77-Y106 PolarHBondContact OD1-N 2.95Å; A102-Y106 WeakPolarHBondContact O-CE2 3.5Å; A102-Y106 PolarHBondContact O-OH 3.49Å; Y106-L108 VanDerWaalsContact C-N 3.31Å; Y106-L108 HydrophobicContact CD2-CB 4.07Å; Y106-L108 HydrophobicContact CE2-CB 3.85Å; Y106-L108 HydrophobicContact CE2-CD1 3.87Å; Y106-L108 HydrophobicContact CE2-CG 4.29Å; Y106-L108 PolarHBondContact O-N 3.3Å; Y106-L137 VanDerWaalsContact C-CD1 3.47Å; Y106-L137 VanDerWaalsContact CA-CD1 3.46Å; Y106-L137 WeakPolarHBondContact O-CD1 3.29Å; Y106-F139 HydrophobicContact CD1-CD1 4.32Å; Y106-F139 HydrophobicContact CD1-CE1 4.13Å; Y106-F139 HydrophobicContact CG-CE1 4.43Å; Y106-V145 HydrophobicContact CE1-CG1 4.03Å; Y106-V145 HydrophobicContact CE1-CG2 4.46Å; Y106-V154 HydrophobicContact CD1-CG2 4.31Å; Y106-V154 HydrophobicContact CD2-CG2 4.02Å; Y106-V154 HydrophobicContact CE1-CG2 3.98Å; Y106-V154 HydrophobicContact CE2-CG2 3.66Å; Y106-V154 HydrophobicContact CG-CG2 4.33Å; Y106-L213 HydrophobicContact CD1-CD1 3.61Å; Y106-L213 HydrophobicContact CE1-CD1 4.09Å
107	L	98.6	Very high	97.8	Very high	8 Å²	8	13 Å²	13	4%	0.042	7%	0.07	C	C	.	.			trans	58.4	41.2	174.9	-47.6	176.6	0	0	0	112.3	F74 P75 D77 T109 L110 V111 N136 L137	F74-L107 HydrophobicContact CD2-CD2 4.4Å; F74-L107 HydrophobicContact CE2-CD1 4.49Å; F74-L107 HydrophobicContact CE2-CD2 4.16Å; P75-L107 HydrophobicContact CB-CD2 3.95Å; P75-L107 WeakPolarHBondContact O-CD2 3.23Å; D77-L107 PolarHBondContact OD1-N 3.25Å; L107-T109 PolarHBondContact O-N 2.86Å; L107-L110 HydrophobicContact CB-CB 4.04Å; L107-L110 HydrophobicContact CB-CD2 4.38Å; L107-L110 HydrophobicContact CD1-CD2 4.14Å; L107-L110 WeakPolarHBondContact O-CA 3.27Å; L107-L110 WeakPolarHBondContact O-CB 3.26Å; L107-L110 PolarHBondContact O-N 3.26Å; L107-V111 HydrophobicContact CB-CG2 4.46Å; L107-V111 PolarHBondContact O-N 3.04Å; L107-N136 HydrophobicContact CD1-CB 3.93Å; L107-L137 HydrophobicContact CD1-CB 4.09Å; L107-L137 HydrophobicContact CG-CD1 4.45Å
108	L	98.8	Very high	98	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-44.9	-58.8	-169.2	-177.4	59.4	0	0	0	113.6	D77 E78 A102 L103 Y106 L110 V111 D112 R153 V154 S472	D77-L108 HydrophobicContact CB-CB 3.67Å; D77-L108 PolarHBondContact OD1-N 3.45Å; E78-L108 HydrophobicContact CG-CD2 4.46Å; A102-L108 HydrophobicContact CB-CD2 4.45Å; A102-L108 WeakPolarHBondContact O-CD2 3.47Å; L103-L108 HydrophobicContact CD2-CD2 3.75Å; Y106-L108 VanDerWaalsContact C-N 3.31Å; Y106-L108 HydrophobicContact CD2-CB 4.07Å; Y106-L108 HydrophobicContact CE2-CB 3.85Å; Y106-L108 HydrophobicContact CE2-CD1 3.87Å; Y106-L108 HydrophobicContact CE2-CG 4.29Å; Y106-L108 PolarHBondContact O-N 3.3Å; L108-L110 VanDerWaalsContact C-N 3.26Å; L108-L110 PolarHBondContact O-N 3.35Å; L108-V111 PolarHBondContact O-N 3.47Å; L108-D112 WeakPolarHBondContact O-CB 3.22Å; L108-D112 PolarHBondContact O-N 2.91Å; L108-R153 HydrophobicContact CD1-CB 3.68Å; L108-R153 HydrophobicContact CD1-CG 4.42Å; L108-V154 HydrophobicContact CD1-CG2 3.75Å; L108-S472 WeakPolarHBondContact CD2-OG 3.14Å; L108-S472 WeakPolarHBondContact CG-OG 3.05Å
109	T	98.8	Very high	98.3	Very high	2 Å²	2	3.9 Å²	3.9	1%	0.012	2%	0.022	C	C	.	.	H	α-helix	trans	-59.5	-37.7	-178.3	-60.5	0	0	0	0	111.9	Y69 D77 L107 S113 L475	Y69-T109 HydrophobicContact CD1-CG2 3.91Å; Y69-T109 HydrophobicContact CD2-CG2 3.88Å; Y69-T109 HydrophobicContact CE1-CG2 4.17Å; Y69-T109 HydrophobicContact CE2-CG2 4.15Å; Y69-T109 HydrophobicContact CG-CG2 3.77Å; D77-T109 WeakPolarHBondContact O-CB 3.35Å; D77-T109 PolarHBondContact O-N 3Å; D77-T109 PolarHBondContact O-OG1 3.04Å; L107-T109 PolarHBondContact O-N 2.86Å; T109-S113 VanDerWaalsContact O-CB 3.28Å; T109-S113 WeakPolarHBondContact O-CB 3.43Å; T109-S113 PolarHBondContact O-N 3.29Å; T109-S113 VanDerWaalsContact O-N 3.16Å; T109-S113 PolarHBondContact O-OG 2.75Å; T109-L475 HydrophobicContact CG2-CD1 3.69Å
110	L	98.9	Very high	98.4	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-65.9	-46.5	177.7	-170.8	63.7	0	0	0	111.5	Y66 Y69 L70 F74 L107 L108 S113 L114 A129 L132 V133	Y66-L110 HydrophobicContact CE2-CD1 4.41Å; Y69-L110 HydrophobicContact CE1-CB 3.87Å; Y69-L110 HydrophobicContact CE1-CD1 4.39Å; L70-L110 HydrophobicContact CD2-CD1 3.95Å; F74-L110 HydrophobicContact CD2-CD2 4.35Å; F74-L110 HydrophobicContact CE2-CD2 4.19Å; L107-L110 HydrophobicContact CB-CB 4.04Å; L107-L110 HydrophobicContact CB-CD2 4.38Å; L107-L110 HydrophobicContact CD1-CD2 4.14Å; L107-L110 WeakPolarHBondContact O-CA 3.27Å; L107-L110 WeakPolarHBondContact O-CB 3.26Å; L107-L110 PolarHBondContact O-N 3.26Å; L108-L110 VanDerWaalsContact C-N 3.26Å; L108-L110 PolarHBondContact O-N 3.35Å; L110-S113 PolarHBondContact O-OG 2.9Å; L110-L114 WeakPolarHBondContact O-CG 3.02Å; L110-A129 HydrophobicContact CD1-CB 3.84Å; L110-L132 HydrophobicContact CD2-CB 3.74Å; L110-V133 HydrophobicContact CD2-CG2 3.6Å; L110-V133 HydrophobicContact CG-CG2 3.75Å
111	V	98.9	Very high	98.4	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-68.4	-48.5	-179.4	174.7	0	0	0	0	111	L107 L108 S113 L114 V133 L137 V154 L158	L107-V111 HydrophobicContact CB-CG2 4.46Å; L107-V111 PolarHBondContact O-N 3.04Å; L108-V111 PolarHBondContact O-N 3.47Å; V111-S113 VanDerWaalsContact C-N 3.28Å; V111-S113 PolarHBondContact O-N 2.92Å; V111-L114 WeakPolarHBondContact O-CB 3.26Å; V111-L114 WeakPolarHBondContact O-CG 3.4Å; V111-L114 PolarHBondContact O-N 3.01Å; V111-V133 HydrophobicContact CG2-CG1 4.27Å; V111-V133 HydrophobicContact CG2-CG2 4.02Å; V111-L137 HydrophobicContact CG2-CD2 4.01Å; V111-V154 HydrophobicContact CG1-CG1 4.06Å; V111-L158 HydrophobicContact CG1-CD2 4.01Å; V111-L158 HydrophobicContact CG1-CG 3.8Å
112	D	98.8	Very high	98.5	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-64.2	-33.4	-174.8	-164.4	30.6	0	0	0	111.4	L108 S472 S476 Q504 H506	L108-D112 WeakPolarHBondContact O-CB 3.22Å; L108-D112 PolarHBondContact O-N 2.91Å; D112-S472 WeakPolarHBondContact OD2-CB 3.49Å; D112-S476 WeakPolarHBondContact O-CB 3.48Å; D112-S476 PolarHBondContact OD1-OG 3.28Å; D112-S476 WeakPolarHBondContact OD2-CB 3.3Å; D112-S476 PolarHBondContact OD2-OG 2.63Å; D112-Q504 WeakPolarHBondContact OD1-CG 3.45Å; D112-H506 PolarHBondContact O-CE1 3.22Å; D112-H506 IonicContact OD1-CE1 3.44Å; D112-H506 PolarHBondContact OD1-CE1 3.3Å; D112-H506 IonicContact OD1-NE2 3.77Å; D112-H506 PolarHBondContact OD1-NE2 2.78Å
113	S	98.8	Very high	98.5	Very high	0 Å²	0	8 Å²	8	0%	0	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-2.6	179.5	64.7	0	0	0	0	115.5	T109 L110 V111 D115 T116 L117	T109-S113 VanDerWaalsContact O-CB 3.28Å; T109-S113 WeakPolarHBondContact O-CB 3.43Å; T109-S113 PolarHBondContact O-N 3.29Å; T109-S113 VanDerWaalsContact O-N 3.16Å; T109-S113 PolarHBondContact O-OG 2.75Å; L110-S113 PolarHBondContact O-OG 2.9Å; V111-S113 VanDerWaalsContact C-N 3.28Å; V111-S113 PolarHBondContact O-N 2.92Å; S113-D115 PolarHBondContact O-N 3.36Å; S113-T116 VanDerWaalsContact O-CB 3.28Å; S113-T116 WeakPolarHBondContact O-CB 3.25Å; S113-T116 PolarHBondContact O-N 2.95Å; S113-T116 VanDerWaalsContact O-N 3.07Å; S113-L117 PolarHBondContact O-N 3.36Å; S113-L117 VanDerWaalsContact O-N 3.1Å
114	L	98.9	Very high	98.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-54.5	-55.1	-174.5	-74.3	174.6	0	0	0	112.5	L110 V111 T116 L117 A118 F126 A129 V130 V133 A161 L184	L110-L114 WeakPolarHBondContact O-CG 3.02Å; V111-L114 WeakPolarHBondContact O-CB 3.26Å; V111-L114 WeakPolarHBondContact O-CG 3.4Å; V111-L114 PolarHBondContact O-N 3.01Å; L114-T116 PolarHBondContact O-N 2.9Å; L114-L117 WeakPolarHBondContact O-CB 3.49Å; L114-L117 PolarHBondContact O-N 3.31Å; L114-A118 PolarHBondContact O-N 3.03Å; L114-F126 HydrophobicContact CB-CE2 4.34Å; L114-F126 WeakPolarHBondContact O-CD2 3.45Å; L114-F126 WeakPolarHBondContact O-CE2 3.47Å; L114-A129 HydrophobicContact CD2-CB 3.56Å; L114-V130 HydrophobicContact CD2-CG2 4.08Å; L114-V133 HydrophobicContact CD1-CG2 4.39Å; L114-V133 HydrophobicContact CD2-CG2 4.44Å; L114-A161 HydrophobicContact CB-CB 3.64Å; L114-A161 HydrophobicContact CD1-CB 3.69Å; L114-A161 HydrophobicContact CG-CB 4.28Å; L114-L184 HydrophobicContact CD1-CD1 4.28Å
115	D	98.6	Very high	98.5	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-68.4	-22.4	-178.3	64.3	4.1	0	0	0	113.1	S113 A118 I119 S160 I164 K480 H506 L507	S113-D115 PolarHBondContact O-N 3.36Å; D115-A118 WeakPolarHBondContact O-CB 3.26Å; D115-A118 PolarHBondContact O-N 3.47Å; D115-I119 WeakPolarHBondContact O-CB 3.37Å; D115-I119 VanDerWaalsContact O-CG1 3.27Å; D115-I119 WeakPolarHBondContact O-CG1 3.02Å; D115-I119 PolarHBondContact O-N 2.98Å; D115-S160 WeakPolarHBondContact CB-OG 3.21Å; D115-S160 WeakPolarHBondContact OD2-CB 3.49Å; D115-S160 PolarHBondContact OD2-OG 3.39Å; D115-I164 HydrophobicContact CB-CD1 3.67Å; D115-K480 IonicContact OD1-NZ 3.95Å; D115-K480 PolarHBondContact OD1-NZ 2.87Å; D115-K480 IonicContact OD2-NZ 3.28Å; D115-H506 IonicContact OD1-ND1 3.47Å; D115-H506 WeakPolarHBondContact OD2-CA 3.44Å; D115-H506 IonicContact OD2-CG 3.3Å; D115-H506 IonicContact OD2-ND1 3.77Å; D115-H506 PolarHBondContact OD2-ND1 3.47Å; D115-L507 PolarHBondContact OD2-N 3.18Å
116	T	98.8	Very high	98.5	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-67.8	-41.5	174	-49.1	0	0	0	0	110.9	F62 S113 L114 A118 I119 M120 S476 K480	F62-T116 HydrophobicContact CD2-CG2 3.98Å; F62-T116 HydrophobicContact CE2-CG2 3.47Å; F62-T116 VanDerWaalsContact CE2-CG2 3.47Å; F62-T116 HydrophobicContact CZ-CG2 4.16Å; S113-T116 VanDerWaalsContact O-CB 3.28Å; S113-T116 WeakPolarHBondContact O-CB 3.25Å; S113-T116 PolarHBondContact O-N 2.95Å; S113-T116 VanDerWaalsContact O-N 3.07Å; L114-T116 PolarHBondContact O-N 2.9Å; T116-A118 VanDerWaalsContact C-N 3.27Å; T116-A118 PolarHBondContact O-N 3.45Å; T116-I119 PolarHBondContact O-N 2.84Å; T116-M120 HydrophobicContact CG2-CE 3.69Å; T116-M120 HydrophobicContact CG2-CG 4.21Å; T116-M120 HydrophobicContact CG2-SD 4.07Å; T116-M120 WeakPolarHBondContact O-CB 3.23Å; T116-M120 WeakPolarHBondContact O-CG 3.47Å; T116-M120 PolarHBondContact O-N 2.86Å; T116-S476 WeakPolarHBondContact OG1-CA 3.48Å; T116-S476 PolarHBondContact OG1-O 2.8Å; T116-K480 HydrophobicContact CG2-CB 3.95Å; T116-K480 HydrophobicContact CG2-CG 4.36Å; T116-K480 WeakPolarHBondContact OG1-CE 3.33Å; T116-K480 PolarHBondContact OG1-NZ 3.45Å
117	L	98.9	Very high	98.6	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-57.6	-43.4	173.9	-64.5	164.7	0	0	0	110.9	F62 Y66 S113 L114 G121 K122 D125 F126 A129	F62-L117 HydrophobicContact CE1-CD2 3.52Å; F62-L117 HydrophobicContact CE1-CG 4.45Å; F62-L117 HydrophobicContact CZ-CD2 3.74Å; F62-L117 HydrophobicContact CZ-CG 4.2Å; Y66-L117 HydrophobicContact CD1-CD2 4.16Å; Y66-L117 HydrophobicContact CD2-CD2 4.42Å; Y66-L117 HydrophobicContact CE1-CD1 4.44Å; Y66-L117 HydrophobicContact CE1-CD2 3.85Å; Y66-L117 HydrophobicContact CE2-CD1 4Å; Y66-L117 HydrophobicContact CE2-CD2 4.16Å; Y66-L117 HydrophobicContact CE2-CG 4.44Å; Y66-L117 HydrophobicContact CG-CD2 4.43Å; Y66-L117 WeakPolarHBondContact OH-CD1 3.38Å; S113-L117 PolarHBondContact O-N 3.36Å; S113-L117 VanDerWaalsContact O-N 3.1Å; L114-L117 WeakPolarHBondContact O-CB 3.49Å; L114-L117 PolarHBondContact O-N 3.31Å; L117-G121 PolarHBondContact O-N 3.36Å; L117-K122 HydrophobicContact CB-CB 4.41Å; L117-K122 HydrophobicContact CD2-CB 4.22Å; L117-K122 HydrophobicContact CD2-CD 4.09Å; L117-K122 WeakPolarHBondContact O-CA 3.27Å; L117-K122 WeakPolarHBondContact O-CB 3.16Å; L117-K122 PolarHBondContact O-N 2.93Å; L117-D125 HydrophobicContact CD2-CB 3.95Å; L117-F126 HydrophobicContact CB-CB 3.97Å; L117-F126 HydrophobicContact CB-CD2 4.19Å; L117-A129 HydrophobicContact CD1-CB 3.64Å
118	A	98.6	Very high	98.6	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.008	12%	0.115	C	C	.	.	H	α-helix	trans	-63.8	-49	176	0	0	0	0	0	112.1	L114 D115 T116 M120 G121 F126 I164 L175	L114-A118 PolarHBondContact O-N 3.03Å; D115-A118 WeakPolarHBondContact O-CB 3.26Å; D115-A118 PolarHBondContact O-N 3.47Å; T116-A118 VanDerWaalsContact C-N 3.27Å; T116-A118 PolarHBondContact O-N 3.45Å; A118-M120 VanDerWaalsContact C-N 3.28Å; A118-M120 PolarHBondContact O-N 3.46Å; A118-G121 PolarHBondContact O-N 3.48Å; A118-F126 HydrophobicContact CB-CD2 3.9Å; A118-F126 HydrophobicContact CB-CE2 4.03Å; A118-F126 HydrophobicContact CB-CG 4.46Å; A118-I164 HydrophobicContact CB-CD1 3.97Å; A118-I164 HydrophobicContact CB-CG2 3.91Å; A118-L175 HydrophobicContact CB-CD1 3.49Å; A118-L175 VanDerWaalsContact CB-CD1 3.49Å
119	I	98.6	Very high	98.6	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.015	12%	0.115	C	C	.	.	H	α-helix	trans	-62.3	-35.3	-179.9	-72.8	166.3	0	0	0	111.8	D115 T116 G121 F172 K480 L484 N490 V492 F501 L507	D115-I119 WeakPolarHBondContact O-CB 3.37Å; D115-I119 VanDerWaalsContact O-CG1 3.27Å; D115-I119 WeakPolarHBondContact O-CG1 3.02Å; D115-I119 PolarHBondContact O-N 2.98Å; T116-I119 PolarHBondContact O-N 2.84Å; I119-G121 PolarHBondContact O-N 3.31Å; I119-F172 HydrophobicContact CG1-CE1 3.9Å; I119-F172 HydrophobicContact CG1-CZ 4.28Å; I119-K480 HydrophobicContact CD1-CD 3.97Å; I119-K480 HydrophobicContact CD1-CG 4.46Å; I119-L484 HydrophobicContact CG2-CD1 4.35Å; I119-L484 HydrophobicContact CG2-CD2 3.74Å; I119-L484 HydrophobicContact CG2-CG 4.12Å; I119-N490 PolarHBondContact O-ND2 2.02Å; I119-V492 HydrophobicContact CD1-CG2 4.3Å; I119-V492 HydrophobicContact CG1-CG2 4.1Å; I119-F501 HydrophobicContact CD1-CE1 4.06Å; I119-F501 HydrophobicContact CD1-CZ 4.34Å; I119-L507 HydrophobicContact CD1-CB 4.43Å
120	M	98.4	Very high	98.6	Very high	6 Å²	6	20 Å²	20	3%	0.03	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	2.8	176.4	-68.4	-170.3	178.4	0	0	113.7	F62 T116 A118 K122 L479 Y483	F62-M120 HydrophobicContact CB-CE 3.93Å; F62-M120 HydrophobicContact CB-SD 3.73Å; F62-M120 HydrophobicContact CD1-SD 3.81Å; F62-M120 HydrophobicContact CD2-CE 3.65Å; F62-M120 HydrophobicContact CD2-SD 3.68Å; F62-M120 HydrophobicContact CE1-SD 4.4Å; F62-M120 HydrophobicContact CE2-CE 4.41Å; F62-M120 HydrophobicContact CE2-SD 4.26Å; F62-M120 HydrophobicContact CG-CE 3.87Å; F62-M120 HydrophobicContact CG-SD 3.44Å; F62-M120 WeakPolarHBondContact CG-SD 3.28Å; T116-M120 HydrophobicContact CG2-CE 3.69Å; T116-M120 HydrophobicContact CG2-CG 4.21Å; T116-M120 HydrophobicContact CG2-SD 4.07Å; T116-M120 WeakPolarHBondContact O-CB 3.23Å; T116-M120 WeakPolarHBondContact O-CG 3.47Å; T116-M120 PolarHBondContact O-N 2.86Å; A118-M120 VanDerWaalsContact C-N 3.28Å; A118-M120 PolarHBondContact O-N 3.46Å; M120-K122 VanDerWaalsContact C-N 3.27Å; M120-K122 HydrophobicContact CB-CD 4.21Å; M120-K122 HydrophobicContact CB-CG 4.12Å; M120-K122 PolarHBondContact O-N 2.93Å; M120-L479 HydrophobicContact CE-CB 4.22Å; M120-Y483 HydrophobicContact CB-CE1 4.36Å; M120-Y483 HydrophobicContact CE-CG 4.15Å; M120-Y483 HydrophobicContact CG-CD1 3.89Å; M120-Y483 HydrophobicContact CG-CD2 4.43Å; M120-Y483 HydrophobicContact CG-CE1 4.03Å; M120-Y483 HydrophobicContact CG-CG 4.09Å
121	G	97.7	Very high	98.5	Very high	52 Å²	52	21.6 Å²	21.6	54%	0.536	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	18.5	179.6	0	0	0	0	0	114.4	L117 A118 I119 T123	L117-G121 PolarHBondContact O-N 3.36Å; A118-G121 PolarHBondContact O-N 3.48Å; I119-G121 PolarHBondContact O-N 3.31Å; G121-T123 PolarHBondContact O-N 3.49Å
122	K	98.1	Very high	98.5	Very high	24 Å²	24	24 Å²	24	10%	0.104	14%	0.138	C	C	.	.			trans	-84.2	62.5	179.7	-59	178.4	65.1	68.2	0	110.3	F62 S63 L117 M120 E124 D125 F126	F62-K122 HydrophobicContact CD1-CD 3.97Å; F62-K122 HydrophobicContact CE1-CD 3.94Å; S63-K122 PolarHBondContact OG-NZ 2.58Å; L117-K122 HydrophobicContact CB-CB 4.41Å; L117-K122 HydrophobicContact CD2-CB 4.22Å; L117-K122 HydrophobicContact CD2-CD 4.09Å; L117-K122 WeakPolarHBondContact O-CA 3.27Å; L117-K122 WeakPolarHBondContact O-CB 3.16Å; L117-K122 PolarHBondContact O-N 2.93Å; M120-K122 VanDerWaalsContact C-N 3.27Å; M120-K122 HydrophobicContact CB-CD 4.21Å; M120-K122 HydrophobicContact CB-CG 4.12Å; M120-K122 PolarHBondContact O-N 2.93Å; K122-E124 PolarHBondContact O-N 2.95Å; K122-D125 HydrophobicContact CB-CB 4.04Å; K122-D125 WeakPolarHBondContact CE-OD2 3.39Å; K122-D125 IonicContact NZ-OD2 2.58Å; K122-D125 PolarHBondContact NZ-OD2 2.81Å; K122-D125 PolarHBondContact O-N 3.35Å; K122-F126 WeakPolarHBondContact O-CB 3.42Å; K122-F126 PolarHBondContact O-N 3.5Å
123	T	98.1	Very high	98.5	Very high	42 Å²	42	24 Å²	24	26%	0.258	14%	0.138	S	C	.	.	H	α-helix	trans	-54.4	-46.9	-170.7	-62.4	0	0	0	0	114.5	G121 K127 L175	G121-T123 PolarHBondContact O-N 3.49Å; T123-K127 HydrophobicContact CG2-CD 4.39Å; T123-K127 WeakPolarHBondContact O-CG 3.5Å; T123-K127 PolarHBondContact O-N 3.03Å; T123-K127 VanDerWaalsContact O-N 3.1Å; T123-L175 HydrophobicContact CG2-CD2 3.87Å
124	E	98.1	Very high	98.5	Very high	115 Å²	115	26.3 Å²	26.3	54%	0.537	15%	0.152	S	C	.	.	H	α-helix	trans	-73.2	-39.1	-178.8	-64.4	-55.6	118.7	0	0	111.5	K122 F126 K127 N128	K122-E124 PolarHBondContact O-N 2.95Å; E124-F126 VanDerWaalsContact C-N 3.3Å; E124-F126 PolarHBondContact O-N 3.43Å; E124-K127 PolarHBondContact O-N 3.37Å; E124-K127 IonicContact OE1-NZ 3.77Å; E124-K127 PolarHBondContact OE1-NZ 3.06Å; E124-N128 WeakPolarHBondContact O-CB 3.33Å; E124-N128 PolarHBondContact O-N 3.22Å; E124-N128 PolarHBondContact O-ND2 3.22Å; E124-N128 VanDerWaalsContact O-ND2 3.14Å
125	D	98.4	Very high	98.5	Very high	51 Å²	51	33.7 Å²	33.7	27%	0.273	18%	0.184	S	C	.	.	H	α-helix	trans	-62.7	-40.2	175.3	-60.2	-23.4	0	0	0	110.7	Y66 L117 K122 N128 A129	Y66-D125 HydrophobicContact CE1-CB 4.46Å; L117-D125 HydrophobicContact CD2-CB 3.95Å; K122-D125 HydrophobicContact CB-CB 4.04Å; K122-D125 WeakPolarHBondContact CE-OD2 3.39Å; K122-D125 IonicContact NZ-OD2 2.58Å; K122-D125 PolarHBondContact NZ-OD2 2.81Å; K122-D125 PolarHBondContact O-N 3.35Å; D125-N128 PolarHBondContact O-N 2.96Å; D125-A129 VanDerWaalsContact O-CB 3.24Å; D125-A129 WeakPolarHBondContact O-CB 3.39Å; D125-A129 PolarHBondContact O-N 3.41Å
126	F	98.8	Very high	98.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.3	-53.3	172.9	178.3	-95.6	0	0	0	111.7	L114 L117 A118 K122 E124 N128 A129 V130 A161 I164 I165 L175	L114-F126 HydrophobicContact CB-CE2 4.34Å; L114-F126 WeakPolarHBondContact O-CD2 3.45Å; L114-F126 WeakPolarHBondContact O-CE2 3.47Å; L117-F126 HydrophobicContact CB-CB 3.97Å; L117-F126 HydrophobicContact CB-CD2 4.19Å; A118-F126 HydrophobicContact CB-CD2 3.9Å; A118-F126 HydrophobicContact CB-CE2 4.03Å; A118-F126 HydrophobicContact CB-CG 4.46Å; K122-F126 WeakPolarHBondContact O-CB 3.42Å; K122-F126 PolarHBondContact O-N 3.5Å; E124-F126 VanDerWaalsContact C-N 3.3Å; E124-F126 PolarHBondContact O-N 3.43Å; F126-N128 VanDerWaalsContact C-N 3.29Å; F126-N128 PolarHBondContact O-N 3.23Å; F126-A129 PolarHBondContact O-N 3.39Å; F126-V130 HydrophobicContact CD1-CG2 4.19Å; F126-V130 HydrophobicContact CE1-CG2 3.79Å; F126-V130 HydrophobicContact CE2-CG2 4.2Å; F126-V130 HydrophobicContact CZ-CG2 3.8Å; F126-V130 VanDerWaalsContact O-CG2 3.31Å; F126-V130 WeakPolarHBondContact O-CG2 3.32Å; F126-V130 PolarHBondContact O-N 3.26Å; F126-A161 HydrophobicContact CE2-CB 4.2Å; F126-A161 HydrophobicContact CZ-CB 4.28Å; F126-I164 HydrophobicContact CZ-CG2 4.44Å; F126-I165 HydrophobicContact CE1-CD1 3.94Å; F126-I165 HydrophobicContact CE1-CG1 3.52Å; F126-I165 HydrophobicContact CZ-CD1 3.87Å; F126-I165 HydrophobicContact CZ-CG1 3.64Å; F126-L175 HydrophobicContact CB-CD2 4.35Å; F126-L175 HydrophobicContact CD1-CB 3.86Å; F126-L175 HydrophobicContact CD1-CD2 3.98Å; F126-L175 HydrophobicContact CD1-CG 4.34Å; F126-L175 HydrophobicContact CE1-CB 3.8Å; F126-L175 WeakPolarHBondContact CE1-O 3.34Å; F126-L175 HydrophobicContact CG-CD2 4.28Å
127	K	98.7	Very high	98.4	Very high	33 Å²	33	38.4 Å²	38.4	14%	0.143	21%	0.21	C	C	.	.	H	α-helix	trans	-60.4	-40.8	179.9	-71.8	171.3	-176	165.3	0	111.9	T123 E124 S131 H174 L175 P177	T123-K127 HydrophobicContact CG2-CD 4.39Å; T123-K127 WeakPolarHBondContact O-CG 3.5Å; T123-K127 PolarHBondContact O-N 3.03Å; T123-K127 VanDerWaalsContact O-N 3.1Å; E124-K127 PolarHBondContact O-N 3.37Å; E124-K127 IonicContact OE1-NZ 3.77Å; E124-K127 PolarHBondContact OE1-NZ 3.06Å; K127-S131 PolarHBondContact O-N 2.68Å; K127-H174 WeakPolarHBondContact CE-O 3.44Å; K127-H174 PolarHBondContact NZ-O 2.88Å; K127-L175 WeakPolarHBondContact CG-O 3.48Å; K127-P177 HydrophobicContact CB-CG 4.41Å; K127-P177 HydrophobicContact CG-CG 4.28Å
128	N	98.4	Very high	98.3	Very high	93 Å²	93	40.6 Å²	40.6	50%	0.497	23%	0.225	S	C	.	.	H	α-helix	trans	-64.5	-45.3	176.1	-71.4	-28.5	0	0	0	111.4	E124 D125 F126 S131 L132	E124-N128 WeakPolarHBondContact O-CB 3.33Å; E124-N128 PolarHBondContact O-N 3.22Å; E124-N128 PolarHBondContact O-ND2 3.22Å; E124-N128 VanDerWaalsContact O-ND2 3.14Å; D125-N128 PolarHBondContact O-N 2.96Å; F126-N128 VanDerWaalsContact C-N 3.29Å; F126-N128 PolarHBondContact O-N 3.23Å; N128-S131 CarbonylContact O-C 3.33Å; N128-S131 PolarHBondContact O-N 3.46Å; N128-L132 WeakPolarHBondContact O-CG 3.29Å; N128-L132 PolarHBondContact O-N 3.04Å
129	A	98.8	Very high	98.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.6	-46.2	177.2	0	0	0	0	0	111.7	Y66 L110 L114 L117 D125 F126 S131 L132 V133	Y66-A129 WeakPolarHBondContact OH-CB 3.21Å; L110-A129 HydrophobicContact CD1-CB 3.84Å; L114-A129 HydrophobicContact CD2-CB 3.56Å; L117-A129 HydrophobicContact CD1-CB 3.64Å; D125-A129 VanDerWaalsContact O-CB 3.24Å; D125-A129 WeakPolarHBondContact O-CB 3.39Å; D125-A129 PolarHBondContact O-N 3.41Å; F126-A129 PolarHBondContact O-N 3.39Å; A129-S131 VanDerWaalsContact C-N 3.31Å; A129-S131 PolarHBondContact O-N 2.88Å; A129-L132 WeakPolarHBondContact O-CB 3.49Å; A129-L132 PolarHBondContact O-N 3.33Å; A129-L132 VanDerWaalsContact O-N 3.08Å; A129-V133 WeakPolarHBondContact O-CG2 3.4Å; A129-V133 PolarHBondContact O-N 3.12Å
130	V	98.8	Very high	98.1	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.006	25%	0.25	C	S	.	.	H	α-helix	trans	-58	-45.9	174	176	0	0	0	0	110.2	L114 F126 L132 V133 T134 I165 P177 Y180 L184	L114-V130 HydrophobicContact CD2-CG2 4.08Å; F126-V130 HydrophobicContact CD1-CG2 4.19Å; F126-V130 HydrophobicContact CE1-CG2 3.79Å; F126-V130 HydrophobicContact CE2-CG2 4.2Å; F126-V130 HydrophobicContact CZ-CG2 3.8Å; F126-V130 VanDerWaalsContact O-CG2 3.31Å; F126-V130 WeakPolarHBondContact O-CG2 3.32Å; F126-V130 PolarHBondContact O-N 3.26Å; V130-L132 VanDerWaalsContact C-N 3.3Å; V130-L132 PolarHBondContact O-N 3.47Å; V130-V133 PolarHBondContact O-N 3.05Å; V130-T134 HydrophobicContact CG1-CG2 4.27Å; V130-T134 WeakPolarHBondContact O-CG2 3.46Å; V130-T134 PolarHBondContact O-N 2.94Å; V130-T134 PolarHBondContact O-OG1 3.43Å; V130-I165 HydrophobicContact CG1-CD1 4.07Å; V130-I165 HydrophobicContact CG2-CD1 3.91Å; V130-P177 HydrophobicContact CB-CG 3.96Å; V130-P177 HydrophobicContact CG1-CG 3.78Å; V130-Y180 HydrophobicContact CG1-CD2 4.11Å; V130-Y180 HydrophobicContact CG1-CE2 4.04Å; V130-L184 HydrophobicContact CG1-CD1 4.12Å; V130-L184 HydrophobicContact CG1-CD2 4.44Å; V130-L184 HydrophobicContact CG1-CG 4.35Å; V130-L184 HydrophobicContact CG2-CD1 4.27Å
131	S	98.4	Very high	97.8	Very high	33 Å²	33	47.7 Å²	47.7	23%	0.231	26%	0.261	C	S	.	.	H	α-helix	trans	-63	-34.2	176.5	-179.3	0	0	0	0	113.2	K127 N128 A129 T134 K135	K127-S131 PolarHBondContact O-N 2.68Å; N128-S131 CarbonylContact O-C 3.33Å; N128-S131 PolarHBondContact O-N 3.46Å; A129-S131 VanDerWaalsContact C-N 3.31Å; A129-S131 PolarHBondContact O-N 2.88Å; S131-T134 PolarHBondContact O-OG1 3.16Å; S131-K135 WeakPolarHBondContact O-CB 3.5Å; S131-K135 WeakPolarHBondContact O-CD 3.35Å; S131-K135 WeakPolarHBondContact O-CG 3.48Å; S131-K135 PolarHBondContact O-N 2.61Å; S131-K135 VanDerWaalsContact OG-CE 3.29Å; S131-K135 WeakPolarHBondContact OG-CE 3.31Å; S131-K135 PolarHBondContact OG-NZ 3.42Å
132	L	98.6	Very high	97.5	Very high	51 Å²	51	53.3 Å²	53.3	27%	0.267	27%	0.271	S	S	.	.	H	α-helix	trans	-69.6	-43.6	176.5	-73.6	173.5	0	0	0	110.6	L70 F74 L110 N128 A129 V130 K135 N136	L70-L132 HydrophobicContact CD2-CD1 4.06Å; F74-L132 HydrophobicContact CE2-CB 4.41Å; F74-L132 HydrophobicContact CE2-CD2 4.47Å; F74-L132 HydrophobicContact CZ-CD2 4.06Å; L110-L132 HydrophobicContact CD2-CB 3.74Å; N128-L132 WeakPolarHBondContact O-CG 3.29Å; N128-L132 PolarHBondContact O-N 3.04Å; A129-L132 WeakPolarHBondContact O-CB 3.49Å; A129-L132 PolarHBondContact O-N 3.33Å; A129-L132 VanDerWaalsContact O-N 3.08Å; V130-L132 VanDerWaalsContact C-N 3.3Å; V130-L132 PolarHBondContact O-N 3.47Å; L132-K135 PolarHBondContact O-N 3.47Å; L132-N136 WeakPolarHBondContact O-CB 3.37Å; L132-N136 PolarHBondContact O-N 3.16Å; L132-N136 PolarHBondContact O-ND2 3.04Å
133	V	98.8	Very high	97.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60	-52.2	175.5	171.7	0	0	0	0	110.3	L110 V111 L114 A129 V130 K135 N136 L137 L158 L184 L187	L110-V133 HydrophobicContact CD2-CG2 3.6Å; L110-V133 HydrophobicContact CG-CG2 3.75Å; V111-V133 HydrophobicContact CG2-CG1 4.27Å; V111-V133 HydrophobicContact CG2-CG2 4.02Å; L114-V133 HydrophobicContact CD1-CG2 4.39Å; L114-V133 HydrophobicContact CD2-CG2 4.44Å; A129-V133 WeakPolarHBondContact O-CG2 3.4Å; A129-V133 PolarHBondContact O-N 3.12Å; V130-V133 PolarHBondContact O-N 3.05Å; V133-K135 PolarHBondContact O-N 2.78Å; V133-N136 PolarHBondContact O-N 3.19Å; V133-L137 HydrophobicContact CG1-CB 4Å; V133-L137 HydrophobicContact CG1-CD2 3.74Å; V133-L137 WeakPolarHBondContact O-CB 3.38Å; V133-L137 PolarHBondContact O-N 3.27Å; V133-L158 HydrophobicContact CG1-CD2 4.13Å; V133-L184 HydrophobicContact CB-CD2 4.3Å; V133-L184 HydrophobicContact CG1-CD2 3.65Å; V133-L187 HydrophobicContact CG1-CD1 4.04Å
134	T	98.4	Very high	97.2	Very high	48 Å²	48	50.5 Å²	50.5	29%	0.294	25%	0.254	S	S	.	.	H	α-helix	trans	-63.5	-28.7	-177.1	59.1	0	0	0	0	113.5	V130 S131 E183 L184	V130-T134 HydrophobicContact CG1-CG2 4.27Å; V130-T134 WeakPolarHBondContact O-CG2 3.46Å; V130-T134 PolarHBondContact O-N 2.94Å; V130-T134 PolarHBondContact O-OG1 3.43Å; S131-T134 PolarHBondContact O-OG1 3.16Å; T134-E183 HydrophobicContact CG2-CB 3.52Å; T134-E183 HydrophobicContact CG2-CG 4.17Å; T134-L184 HydrophobicContact CG2-CD2 4.19Å
135	K	97.9	Very high	97.2	Very high	155 Å²	155	45 Å²	45	67%	0.674	23%	0.229	S	C	*	.	H	α-helix	trans	-84.2	-31.5	178.5	-73.9	171.7	-178.9	158.6	0	114.2	S131 L132 V133	S131-K135 WeakPolarHBondContact O-CB 3.5Å; S131-K135 WeakPolarHBondContact O-CD 3.35Å; S131-K135 WeakPolarHBondContact O-CG 3.48Å; S131-K135 PolarHBondContact O-N 2.61Å; S131-K135 VanDerWaalsContact OG-CE 3.29Å; S131-K135 WeakPolarHBondContact OG-CE 3.31Å; S131-K135 PolarHBondContact OG-NZ 3.42Å; L132-K135 PolarHBondContact O-N 3.47Å; V133-K135 PolarHBondContact O-N 2.78Å
136	N	98.3	Very high	97.1	Very high	83 Å²	83	43.7 Å²	43.7	44%	0.444	22%	0.221	S	C	.	.	H	α-helix	trans	-118.7	-21.8	-166.4	-60	-83.4	0	0	0	114	F74 L107 L132 V133 S138	F74-N136 HydrophobicContact CZ-CB 4.44Å; L107-N136 HydrophobicContact CD1-CB 3.93Å; L132-N136 WeakPolarHBondContact O-CB 3.37Å; L132-N136 PolarHBondContact O-N 3.16Å; L132-N136 PolarHBondContact O-ND2 3.04Å; V133-N136 PolarHBondContact O-N 3.19Å; N136-S138 PolarHBondContact O-N 3.35Å
137	L	98.4	Very high	97	Very high	16 Å²	16	43.7 Å²	43.7	8%	0.084	22%	0.221	C	C	.	.			trans	-73.1	125.7	-178.4	-177	55.4	0	0	0	111	Y106 L107 V111 V133 F139 L158 L187	Y106-L137 VanDerWaalsContact C-CD1 3.47Å; Y106-L137 VanDerWaalsContact CA-CD1 3.46Å; Y106-L137 WeakPolarHBondContact O-CD1 3.29Å; L107-L137 HydrophobicContact CD1-CB 4.09Å; L107-L137 HydrophobicContact CG-CD1 4.45Å; V111-L137 HydrophobicContact CG2-CD2 4.01Å; V133-L137 HydrophobicContact CG1-CB 4Å; V133-L137 HydrophobicContact CG1-CD2 3.74Å; V133-L137 WeakPolarHBondContact O-CB 3.38Å; V133-L137 PolarHBondContact O-N 3.27Å; L137-F139 HydrophobicContact CD1-CE1 4.21Å; L137-F139 HydrophobicContact CD1-CZ 4.36Å; L137-F139 HydrophobicContact CD2-CE1 4.45Å; L137-F139 HydrophobicContact CD2-CE2 4.27Å; L137-F139 HydrophobicContact CD2-CZ 3.83Å; L137-F139 HydrophobicContact CG-CE2 4.49Å; L137-F139 HydrophobicContact CG-CZ 4.23Å; L137-L158 HydrophobicContact CD2-CD2 4.24Å; L137-L187 HydrophobicContact CB-CD2 4.43Å; L137-L187 HydrophobicContact CD2-CD1 4.11Å; L137-L187 HydrophobicContact CD2-CD2 4.17Å; L137-L187 HydrophobicContact CG-CD2 4.12Å
138	S	97.1	Very high	97	Very high	45 Å²	45	43.2 Å²	43.2	32%	0.315	22%	0.219	S	C	.	.			trans	-140	130.1	171.8	173.5	0	0	0	0	109.3	N136 N140 Q141	N136-S138 PolarHBondContact O-N 3.35Å; S138-N140 VanDerWaalsContact C-N 3.28Å; S138-N140 PolarHBondContact OG-N 2.94Å; S138-Q141 VanDerWaalsContact O-CG 3.29Å; S138-Q141 WeakPolarHBondContact O-CG 3.21Å; S138-Q141 PolarHBondContact O-NE2 3.39Å
139	F	96.7	Very high	97	Very high	3 Å²	3	40.3 Å²	40.3	1%	0.013	20%	0.202	C	C	.	.	S	Bend	trans	-87.3	5.2	171.4	-60.5	-62.4	0	0	0	113	Y106 L137 Q141 V154 L158 L187 N190 L191 R194 L213	Y106-F139 HydrophobicContact CD1-CD1 4.32Å; Y106-F139 HydrophobicContact CD1-CE1 4.13Å; Y106-F139 HydrophobicContact CG-CE1 4.43Å; L137-F139 HydrophobicContact CD1-CE1 4.21Å; L137-F139 HydrophobicContact CD1-CZ 4.36Å; L137-F139 HydrophobicContact CD2-CE1 4.45Å; L137-F139 HydrophobicContact CD2-CE2 4.27Å; L137-F139 HydrophobicContact CD2-CZ 3.83Å; L137-F139 HydrophobicContact CG-CE2 4.49Å; L137-F139 HydrophobicContact CG-CZ 4.23Å; F139-Q141 PolarHBondContact O-N 3.46Å; F139-V154 HydrophobicContact CE1-CG1 3.95Å; F139-V154 HydrophobicContact CZ-CG1 3.93Å; F139-L158 HydrophobicContact CE2-CD1 4.4Å; F139-L158 HydrophobicContact CZ-CD1 4.03Å; F139-L187 HydrophobicContact CD2-CD2 4.41Å; F139-L187 HydrophobicContact CE2-CB 4.16Å; F139-L187 HydrophobicContact CE2-CD2 4.03Å; F139-L187 VanDerWaalsContact CE2-O 3.3Å; F139-L187 WeakPolarHBondContact CE2-O 3.32Å; F139-N190 HydrophobicContact CD2-CB 4.36Å; F139-L191 HydrophobicContact CD1-CD1 3.9Å; F139-L191 HydrophobicContact CD2-CB 4.05Å; F139-L191 HydrophobicContact CE1-CB 4.23Å; F139-L191 HydrophobicContact CE1-CD1 3.87Å; F139-L191 HydrophobicContact CE1-CD2 3.98Å; F139-L191 HydrophobicContact CE1-CG 4.24Å; F139-L191 HydrophobicContact CE2-CB 3.69Å; F139-L191 HydrophobicContact CG-CB 4.47Å; F139-L191 HydrophobicContact CG-CD1 4.35Å; F139-L191 HydrophobicContact CZ-CB 3.78Å; F139-L191 HydrophobicContact CZ-CD1 4.29Å; F139-L191 HydrophobicContact CZ-CD2 3.87Å; F139-L191 HydrophobicContact CZ-CG 4.19Å; F139-R194 PolarHBondContact O-NH1 2.93Å; F139-L213 HydrophobicContact CD1-CD1 4.38Å; F139-L213 HydrophobicContact CD1-CD2 4.44Å; F139-L213 CarbonylContact O-C 3.59Å; F139-L213 WeakPolarHBondContact O-CB 3.47Å
140	N	94.4	Very high	97	Very high	102 Å²	102	40.3 Å²	40.3	55%	0.545	20%	0.202	S	C	.	.			trans	-80.3	59.8	170.9	-64.4	-35.8	0	0	0	110.1	S138 R194	S138-N140 VanDerWaalsContact C-N 3.28Å; S138-N140 PolarHBondContact OG-N 2.94Å; N140-R194 PolarHBondContact OD1-NH1 2.81Å; N140-R194 PolarHBondContact OD1-NH2 3.35Å
141	Q	92.9	Very high	97	Very high	55 Å²	55	40.2 Å²	40.2	26%	0.257	20%	0.202	S	C	.	.			trans	-113.3	139.4	-179.1	-57.7	-66.9	7.3	0	0	109.6	D105 S138 F139 T143 L213 D214	D105-Q141 HydrophobicContact CB-CG 4.24Å; D105-Q141 PolarHBondContact O-NE2 3.36Å; S138-Q141 VanDerWaalsContact O-CG 3.29Å; S138-Q141 WeakPolarHBondContact O-CG 3.21Å; S138-Q141 PolarHBondContact O-NE2 3.39Å; F139-Q141 PolarHBondContact O-N 3.46Å; Q141-T143 HydrophobicContact CB-CG2 4.07Å; Q141-T143 WeakPolarHBondContact CB-OG1 3.48Å; Q141-T143 PolarHBondContact O-N 2.94Å; Q141-L213 HydrophobicContact CB-CB 4.48Å; Q141-L213 HydrophobicContact CB-CD1 4.24Å; Q141-D214 WeakPolarHBondContact O-CB 3.28Å; Q141-D214 PolarHBondContact O-N 3.3Å
142	K	92.2	Very high	97	Very high	170 Å²	170	38.9 Å²	38.9	74%	0.739	19%	0.192	S	C	*	.	S	Bend	trans	-80.3	49.2	175.8	-66.1	-175	178.8	-178.6	0	111.6
143	T	95	Very high	97	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.			trans	-117.2	149.1	-174.3	53.8	0	0	0	0	110	Y89 G104 Q141 Y212 L213	Y89-T143 HydrophobicContact CD1-CG2 3.86Å; Y89-T143 VanDerWaalsContact CD2-CB 3.44Å; Y89-T143 HydrophobicContact CD2-CG2 3.43Å; Y89-T143 VanDerWaalsContact CD2-CG2 3.43Å; Y89-T143 HydrophobicContact CE1-CG2 4.32Å; Y89-T143 HydrophobicContact CE2-CG2 3.94Å; Y89-T143 HydrophobicContact CG-CG2 3.42Å; Y89-T143 VanDerWaalsContact CG-CG2 3.42Å; G104-T143 PolarHBondContact O-OG1 2.85Å; Q141-T143 HydrophobicContact CB-CG2 4.07Å; Q141-T143 WeakPolarHBondContact CB-OG1 3.48Å; Q141-T143 PolarHBondContact O-N 2.94Å; T143-Y212 WeakPolarHBondContact O-CA 3.05Å; T143-L213 PolarHBondContact O-N 3.15Å; T143-L213 VanDerWaalsContact OG1-CD1 3.29Å; T143-L213 WeakPolarHBondContact OG1-CD1 3.34Å
144	R	94.9	Very high	97	Very high	6 Å²	6	37 Å²	37	2%	0.023	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	116.2	176.3	178.1	-170.1	60.7	-175	-5.7	108.7	Y89 P94 D95 N100 R210 F211 Y212 D219 T221	Y89-R144 WeakPolarHBondContact CE2-O 3.37Å; Y89-R144 PolarHBondContact OH-N 2.73Å; P94-R144 PolarHBondContact O-NH2 2.69Å; D95-R144 IonicContact OD1-CZ 2.74Å; D95-R144 IonicContact OD1-NH1 3Å; D95-R144 IonicContact OD1-NH2 3.72Å; D95-R144 PolarHBondContact OD1-NH2 2.73Å; N100-R144 VanDerWaalsContact O-O 3.12Å; R144-R210 HydrophobicContact CG-CB 4.05Å; R144-F211 WeakPolarHBondContact CA-O 3.43Å; R144-Y212 HydrophobicContact CB-CD1 3.85Å; R144-Y212 HydrophobicContact CB-CE1 3.66Å; R144-Y212 HydrophobicContact CB-CG 4.48Å; R144-Y212 HydrophobicContact CG-CE1 4.32Å; R144-D219 WeakPolarHBondContact CD-OD1 3.46Å; R144-D219 IonicContact NE-OD1 3.88Å; R144-D219 IonicContact NH1-OD1 3.66Å; R144-D219 PolarHBondContact NH1-OD1 2.74Å; R144-T221 PolarHBondContact NH1-OG1 2.68Å
145	V	96.6	Very high	97	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	162.9	-175	-60.5	0	0	0	0	111.4	N100 Y106 A150 R210 F211 L213	N100-V145 WeakPolarHBondContact O-CA 3.27Å; Y106-V145 HydrophobicContact CE1-CG1 4.03Å; Y106-V145 HydrophobicContact CE1-CG2 4.46Å; V145-A150 HydrophobicContact CG2-CB 4.09Å; V145-R210 WeakPolarHBondContact O-CA 3.44Å; V145-R210 WeakPolarHBondContact O-CB 3.43Å; V145-F211 HydrophobicContact CG2-CD1 4.22Å; V145-F211 HydrophobicContact CG2-CE1 3.59Å; V145-F211 HydrophobicContact CG2-CE2 4.46Å; V145-F211 HydrophobicContact CG2-CZ 3.73Å; V145-F211 PolarHBondContact N-O 3.4Å; V145-F211 PolarHBondContact O-N 3Å; V145-L213 HydrophobicContact CG1-CD1 4.5Å; V145-L213 HydrophobicContact CG2-CD2 3.87Å; V145-L213 HydrophobicContact CG2-CG 4.11Å
146	Q	96.7	Very high	97.1	Very high	23 Å²	23	27.4 Å²	27.4	11%	0.107	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	135.9	173.2	-162.2	-178.7	40.1	0	0	110.1	D101 F148 E149 A150 P209	D101-Q146 HydrophobicContact CB-CB 3.76Å; D101-Q146 WeakPolarHBondContact O-CB 3.5Å; D101-Q146 PolarHBondContact O-N 2.86Å; Q146-F148 HydrophobicContact CG-CB 4.1Å; Q146-F148 PolarHBondContact O-N 3.4Å; Q146-E149 HydrophobicContact CB-CB 4.43Å; Q146-E149 HydrophobicContact CB-CG 4.18Å; Q146-A150 WeakPolarHBondContact O-CB 3.46Å; Q146-A150 PolarHBondContact O-N 3.02Å; Q146-A150 VanDerWaalsContact O-N 3.15Å; Q146-P209 WeakPolarHBondContact CA-O 3.36Å; Q146-P209 WeakPolarHBondContact CG-O 3.44Å
147	I	97.1	Very high	97.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.2	-37.8	177.8	-167.7	179.8	0	0	0	111.8	T151 M195 A198 P207 P209 F211 L233	I147-T151 VanDerWaalsContact O-CB 3.26Å; I147-T151 WeakPolarHBondContact O-CB 3.44Å; I147-T151 PolarHBondContact O-N 3.38Å; I147-T151 PolarHBondContact O-OG1 3.36Å; I147-M195 HydrophobicContact CD1-CB 4.47Å; I147-M195 HydrophobicContact CG1-CB 4.35Å; I147-M195 HydrophobicContact CG1-CG 4.39Å; I147-A198 HydrophobicContact CD1-CB 3.91Å; I147-P207 HydrophobicContact CD1-CB 3.78Å; I147-P207 HydrophobicContact CD1-CG 4.32Å; I147-P209 PolarHBondContact N-O 2.67Å; I147-F211 HydrophobicContact CB-CD1 4.18Å; I147-F211 HydrophobicContact CB-CE1 4.33Å; I147-F211 HydrophobicContact CG1-CE1 4.49Å; I147-L233 HydrophobicContact CD1-CD1 3.8Å; I147-L233 HydrophobicContact CD1-CD2 4.28Å; I147-L233 HydrophobicContact CG1-CD1 4.48Å; I147-L233 HydrophobicContact CG1-CD2 4.08Å
148	F	98.2	Very high	97.1	Very high	24 Å²	24	22.7 Å²	22.7	11%	0.105	11%	0.11	C	C	.	.	H	α-helix	trans	-59.5	-61.8	178.3	-179.4	-122.4	0	0	0	111.9	Q146 A150 T151 I152 A228 S232	Q146-F148 HydrophobicContact CG-CB 4.1Å; Q146-F148 PolarHBondContact O-N 3.4Å; F148-A150 VanDerWaalsContact C-N 3.35Å; F148-A150 PolarHBondContact O-N 3.33Å; F148-T151 WeakPolarHBondContact O-CA 3.49Å; F148-T151 WeakPolarHBondContact O-CB 3.4Å; F148-T151 PolarHBondContact O-N 3.01Å; F148-I152 HydrophobicContact CD1-CD1 4.19Å; F148-I152 HydrophobicContact CD2-CD1 4.35Å; F148-I152 HydrophobicContact CD2-CG2 3.98Å; F148-I152 HydrophobicContact CE1-CD1 3.68Å; F148-I152 HydrophobicContact CE2-CD1 3.84Å; F148-I152 HydrophobicContact CE2-CG2 3.79Å; F148-I152 HydrophobicContact CZ-CD1 3.51Å; F148-I152 WeakPolarHBondContact O-CG1 3.14Å; F148-I152 PolarHBondContact O-N 2.86Å; F148-A228 HydrophobicContact CE2-CB 4.45Å; F148-A228 HydrophobicContact CZ-CB 4.43Å; F148-S232 VanDerWaalsContact CE2-CB 3.5Å
149	E	98.4	Very high	97.2	Very high	31 Å²	31	20.5 Å²	20.5	15%	0.145	10%	0.095	C	C	.	.	H	α-helix	trans	-59.8	-43.7	-177	-60.5	-68.2	179.8	0	0	112	A102 Q146 T151 R153	A102-E149 HydrophobicContact CB-CB 4.13Å; A102-E149 HydrophobicContact CB-CG 4.04Å; Q146-E149 HydrophobicContact CB-CB 4.43Å; Q146-E149 HydrophobicContact CB-CG 4.18Å; E149-T151 PolarHBondContact O-N 3Å; E149-R153 WeakPolarHBondContact O-CB 3.35Å; E149-R153 WeakPolarHBondContact O-CG 3.12Å; E149-R153 PolarHBondContact O-N 3.26Å; E149-R153 IonicContact OE1-NH2 3.99Å; E149-R153 PolarHBondContact OE1-NH2 3.39Å; E149-R153 IonicContact OE2-CZ 3.42Å; E149-R153 IonicContact OE2-NE 3.99Å; E149-R153 PolarHBondContact OE2-NE 3.38Å; E149-R153 IonicContact OE2-NH2 3.16Å; E149-R153 PolarHBondContact OE2-NH2 2.86Å
150	A	98.4	Very high	97.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.095	C	C	.	.	I	π-helix	trans	-63.6	-31.4	176.7	0	0	0	0	0	112.2	V145 Q146 F148 V154 L155 M195 F211	V145-A150 HydrophobicContact CG2-CB 4.09Å; Q146-A150 WeakPolarHBondContact O-CB 3.46Å; Q146-A150 PolarHBondContact O-N 3.02Å; Q146-A150 VanDerWaalsContact O-N 3.15Å; F148-A150 VanDerWaalsContact C-N 3.35Å; F148-A150 PolarHBondContact O-N 3.33Å; A150-V154 WeakPolarHBondContact O-CB 3.34Å; A150-V154 PolarHBondContact O-N 3.25Å; A150-L155 PolarHBondContact O-N 3.34Å; A150-M195 HydrophobicContact CB-CE 3.47Å; A150-M195 VanDerWaalsContact CB-CE 3.47Å; A150-M195 VanDerWaalsContact O-CE 3.29Å; A150-M195 WeakPolarHBondContact O-CE 3.42Å; A150-F211 HydrophobicContact CB-CE1 4.09Å; A150-F211 HydrophobicContact CB-CZ 4.12Å
151	T	98.8	Very high	97.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.069	C	C	.	.	I	π-helix	trans	-76.5	-56.9	179	-60	0	0	0	0	110.8	I147 F148 E149 R153 L155 G156 M195 L233 E236 F237	I147-T151 VanDerWaalsContact O-CB 3.26Å; I147-T151 WeakPolarHBondContact O-CB 3.44Å; I147-T151 PolarHBondContact O-N 3.38Å; I147-T151 PolarHBondContact O-OG1 3.36Å; F148-T151 WeakPolarHBondContact O-CA 3.49Å; F148-T151 WeakPolarHBondContact O-CB 3.4Å; F148-T151 PolarHBondContact O-N 3.01Å; E149-T151 PolarHBondContact O-N 3Å; T151-R153 PolarHBondContact O-N 2.89Å; T151-L155 HydrophobicContact CG2-CD2 4.29Å; T151-L155 WeakPolarHBondContact O-CB 3.4Å; T151-L155 PolarHBondContact O-N 2.85Å; T151-G156 PolarHBondContact O-N 2.9Å; T151-M195 WeakPolarHBondContact OG1-CE 3.07Å; T151-L233 HydrophobicContact CG2-CB 4.28Å; T151-L233 HydrophobicContact CG2-CD2 3.59Å; T151-L233 WeakPolarHBondContact OG1-CD2 3.47Å; T151-E236 HydrophobicContact CG2-CB 3.83Å; T151-E236 HydrophobicContact CG2-CG 4.04Å; T151-F237 HydrophobicContact CG2-CD1 4.39Å; T151-F237 HydrophobicContact CG2-CE1 4.33Å
152	I	98.6	Very high	97.8	Very high	4 Å²	4	13.2 Å²	13.2	2%	0.021	6%	0.058	C	C	.	.	I	π-helix	trans	-69.9	-34.4	-171.8	69.7	177.3	0	0	0	111.9	F148 T503 Q504 H506	F148-I152 HydrophobicContact CD1-CD1 4.19Å; F148-I152 HydrophobicContact CD2-CD1 4.35Å; F148-I152 HydrophobicContact CD2-CG2 3.98Å; F148-I152 HydrophobicContact CE1-CD1 3.68Å; F148-I152 HydrophobicContact CE2-CD1 3.84Å; F148-I152 HydrophobicContact CE2-CG2 3.79Å; F148-I152 HydrophobicContact CZ-CD1 3.51Å; F148-I152 WeakPolarHBondContact O-CG1 3.14Å; F148-I152 PolarHBondContact O-N 2.86Å; I152-T503 HydrophobicContact CB-CG2 3.9Å; I152-T503 HydrophobicContact CD1-CG2 3.96Å; I152-T503 HydrophobicContact CG2-CG2 3.72Å; I152-Q504 HydrophobicContact CB-CB 4.16Å; I152-Q504 HydrophobicContact CG1-CB 4.41Å; I152-Q504 WeakPolarHBondContact O-CB 3.38Å; I152-H506 PolarHBondContact O-CD2 3Å; I152-H506 PolarHBondContact O-NE2 3.48Å; I152-H506 VanDerWaalsContact O-NE2 3.13Å
153	R	98.8	Very high	98.1	Very high	13 Å²	13	5.3 Å²	5.3	5%	0.049	2%	0.024	C	C	.	.	I	π-helix	trans	-93.1	-53.6	-177.9	-48	-165.4	-170.5	-176.3	6.4	113.5	L108 E149 T151 G157 E471 S472 Q504 H506	L108-R153 HydrophobicContact CD1-CB 3.68Å; L108-R153 HydrophobicContact CD1-CG 4.42Å; E149-R153 WeakPolarHBondContact O-CB 3.35Å; E149-R153 WeakPolarHBondContact O-CG 3.12Å; E149-R153 PolarHBondContact O-N 3.26Å; E149-R153 IonicContact OE1-NH2 3.99Å; E149-R153 PolarHBondContact OE1-NH2 3.39Å; E149-R153 IonicContact OE2-CZ 3.42Å; E149-R153 IonicContact OE2-NE 3.99Å; E149-R153 PolarHBondContact OE2-NE 3.38Å; E149-R153 IonicContact OE2-NH2 3.16Å; E149-R153 PolarHBondContact OE2-NH2 2.86Å; T151-R153 PolarHBondContact O-N 2.89Å; R153-G157 PolarHBondContact O-N 3.14Å; R153-E471 IonicContact NH1-OE2 3.47Å; R153-S472 PolarHBondContact NH1-OG 3.33Å; R153-Q504 HydrophobicContact CB-CG 4.29Å; R153-Q504 HydrophobicContact CG-CG 3.88Å; R153-H506 PolarHBondContact O-NE2 3.01Å
154	V	98.8	Very high	98.3	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.027	C	C	.	.	I	π-helix	trans	-83.7	-54.2	-171	-169.9	0	0	0	0	110.9	Y106 L108 V111 F139 A150 G156 G157 L158 L191	Y106-V154 HydrophobicContact CD1-CG2 4.31Å; Y106-V154 HydrophobicContact CD2-CG2 4.02Å; Y106-V154 HydrophobicContact CE1-CG2 3.98Å; Y106-V154 HydrophobicContact CE2-CG2 3.66Å; Y106-V154 HydrophobicContact CG-CG2 4.33Å; L108-V154 HydrophobicContact CD1-CG2 3.75Å; V111-V154 HydrophobicContact CG1-CG1 4.06Å; F139-V154 HydrophobicContact CE1-CG1 3.95Å; F139-V154 HydrophobicContact CZ-CG1 3.93Å; A150-V154 WeakPolarHBondContact O-CB 3.34Å; A150-V154 PolarHBondContact O-N 3.25Å; V154-G156 VanDerWaalsContact C-N 3.34Å; V154-G156 PolarHBondContact O-N 3.29Å; V154-G157 PolarHBondContact O-N 3.1Å; V154-L158 HydrophobicContact CG1-CD1 4.17Å; V154-L158 WeakPolarHBondContact O-CB 3.24Å; V154-L158 VanDerWaalsContact O-CG 3.23Å; V154-L158 WeakPolarHBondContact O-CG 3.38Å; V154-L158 PolarHBondContact O-N 2.98Å; V154-L191 HydrophobicContact CB-CD2 3.75Å; V154-L191 HydrophobicContact CG1-CD2 3.61Å
155	L	98.9	Very high	98.4	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.029	C	C	.	.	I	π-helix	trans	-63.5	-43.6	178.2	-178.4	62	0	0	0	110.5	A150 T151 L158 L159 A188 L191 A192 M195 E236 F237	A150-L155 PolarHBondContact O-N 3.34Å; T151-L155 HydrophobicContact CG2-CD2 4.29Å; T151-L155 WeakPolarHBondContact O-CB 3.4Å; T151-L155 PolarHBondContact O-N 2.85Å; L155-L158 PolarHBondContact O-N 3Å; L155-L159 HydrophobicContact CD1-CD1 3.9Å; L155-L159 HydrophobicContact CD1-CG 4.08Å; L155-L159 HydrophobicContact CG-CD1 3.77Å; L155-L159 HydrophobicContact CG-CG 4.37Å; L155-L159 WeakPolarHBondContact O-CB 3.31Å; L155-L159 WeakPolarHBondContact O-CD1 3.34Å; L155-L159 WeakPolarHBondContact O-CG 3.36Å; L155-L159 PolarHBondContact O-N 3.26Å; L155-A188 HydrophobicContact CD1-CB 3.53Å; L155-A188 WeakPolarHBondContact CD1-O 3.33Å; L155-L191 HydrophobicContact CB-CD2 4.19Å; L155-A192 HydrophobicContact CD2-CB 4.38Å; L155-M195 HydrophobicContact CB-CE 4.33Å; L155-M195 HydrophobicContact CD2-SD 4.26Å; L155-E236 HydrophobicContact CD2-CB 3.79Å; L155-E236 HydrophobicContact CG-CB 3.98Å; L155-F237 HydrophobicContact CD2-CD1 3.66Å; L155-F237 HydrophobicContact CD2-CE1 3.68Å
156	G	98.9	Very high	98.5	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-55.8	-52.4	173.7	0	0	0	0	0	113.3	T151 V154 L158 L159 S160 H506	T151-G156 PolarHBondContact O-N 2.9Å; V154-G156 VanDerWaalsContact C-N 3.34Å; V154-G156 PolarHBondContact O-N 3.29Å; G156-L158 PolarHBondContact O-N 3.43Å; G156-L159 PolarHBondContact O-N 3.31Å; G156-S160 VanDerWaalsContact O-CB 3.29Å; G156-S160 WeakPolarHBondContact O-CB 3.17Å; G156-S160 PolarHBondContact O-N 2.98Å; G156-H506 VanDerWaalsContact CA-CD2 3.41Å; G156-H506 WeakPolarHBondContact CA-CD2 3.24Å
157	G	98.9	Very high	98.5	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-62	-42.3	-180	0	0	0	0	0	113.5	R153 V154 A161 H506	R153-G157 PolarHBondContact O-N 3.14Å; V154-G157 PolarHBondContact O-N 3.1Å; G157-A161 VanDerWaalsContact O-CB 3.24Å; G157-A161 WeakPolarHBondContact O-CB 3.11Å; G157-A161 PolarHBondContact O-N 2.89Å; G157-H506 WeakPolarHBondContact CA-CE1 3.24Å; G157-H506 PolarHBondContact N-CD2 3.18Å; G157-H506 VanDerWaalsContact N-CD2 3.33Å; G157-H506 PolarHBondContact N-CE1 3Å; G157-H506 PolarHBondContact N-NE2 3.02Å; G157-H506 VanDerWaalsContact N-NE2 3.11Å
158	L	99	Very high	98.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-62.9	-45.5	176	-69.9	172.6	0	0	0	112.2	V111 V133 L137 F139 V154 L155 G156 H162 L184 L187 A188	V111-L158 HydrophobicContact CG1-CD2 4.01Å; V111-L158 HydrophobicContact CG1-CG 3.8Å; V133-L158 HydrophobicContact CG1-CD2 4.13Å; L137-L158 HydrophobicContact CD2-CD2 4.24Å; F139-L158 HydrophobicContact CE2-CD1 4.4Å; F139-L158 HydrophobicContact CZ-CD1 4.03Å; V154-L158 HydrophobicContact CG1-CD1 4.17Å; V154-L158 WeakPolarHBondContact O-CB 3.24Å; V154-L158 VanDerWaalsContact O-CG 3.23Å; V154-L158 WeakPolarHBondContact O-CG 3.38Å; V154-L158 PolarHBondContact O-N 2.98Å; L155-L158 PolarHBondContact O-N 3Å; G156-L158 PolarHBondContact O-N 3.43Å; L158-H162 VanDerWaalsContact O-CB 3.26Å; L158-H162 WeakPolarHBondContact O-CB 3.42Å; L158-H162 PolarHBondContact O-N 2.95Å; L158-L184 HydrophobicContact CD2-CB 4.29Å; L158-L184 HydrophobicContact CD2-CD2 3.79Å; L158-L187 HydrophobicContact CD1-CB 3.91Å; L158-L187 HydrophobicContact CD2-CB 4.25Å; L158-L187 HydrophobicContact CD2-CD1 4.46Å; L158-A188 HydrophobicContact CB-CB 4.05Å; L158-A188 HydrophobicContact CD1-CB 4.38Å
159	L	99	Very high	98.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-67.4	-47.8	-179.3	-70.1	170.4	0	0	0	111.6	L155 G156 H162 I163 L185 A188 E236 L240 L243 F508	L155-L159 HydrophobicContact CD1-CD1 3.9Å; L155-L159 HydrophobicContact CD1-CG 4.08Å; L155-L159 HydrophobicContact CG-CD1 3.77Å; L155-L159 HydrophobicContact CG-CG 4.37Å; L155-L159 WeakPolarHBondContact O-CB 3.31Å; L155-L159 WeakPolarHBondContact O-CD1 3.34Å; L155-L159 WeakPolarHBondContact O-CG 3.36Å; L155-L159 PolarHBondContact O-N 3.26Å; G156-L159 PolarHBondContact O-N 3.31Å; L159-H162 PolarHBondContact O-N 3.25Å; L159-I163 WeakPolarHBondContact O-CB 3.25Å; L159-I163 WeakPolarHBondContact O-CD1 3.45Å; L159-I163 WeakPolarHBondContact O-CG1 3.4Å; L159-I163 PolarHBondContact O-N 3.2Å; L159-L185 HydrophobicContact CD2-CD1 4.23Å; L159-A188 HydrophobicContact CD2-CB 3.91Å; L159-A188 HydrophobicContact CG-CB 4.17Å; L159-E236 HydrophobicContact CD1-CB 4.06Å; L159-E236 VanDerWaalsContact CD1-O 3.25Å; L159-E236 WeakPolarHBondContact CD1-O 3.48Å; L159-L240 HydrophobicContact CD1-CB 4.18Å; L159-L240 HydrophobicContact CD2-CB 4.1Å; L159-L240 HydrophobicContact CD2-CD1 3.89Å; L159-L243 HydrophobicContact CD2-CD1 3.75Å; L159-F508 HydrophobicContact CB-CE1 4.12Å; L159-F508 HydrophobicContact CB-CZ 4.45Å
160	S	98.9	Very high	97.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59.4	-48.5	179.3	178.1	0	0	0	0	111.4	D115 G156 H162 I163 I164 L507	D115-S160 WeakPolarHBondContact CB-OG 3.21Å; D115-S160 WeakPolarHBondContact OD2-CB 3.49Å; D115-S160 PolarHBondContact OD2-OG 3.39Å; G156-S160 VanDerWaalsContact O-CB 3.29Å; G156-S160 WeakPolarHBondContact O-CB 3.17Å; G156-S160 PolarHBondContact O-N 2.98Å; S160-H162 PolarHBondContact O-N 3.26Å; S160-I163 PolarHBondContact O-N 3.19Å; S160-I164 WeakPolarHBondContact O-CG1 3.21Å; S160-I164 PolarHBondContact O-N 3.35Å; S160-L507 PolarHBondContact OG-N 2.72Å; S160-L507 VanDerWaalsContact OG-N 3.15Å; S160-L507 PolarHBondContact OG-O 3.19Å
161	A	98.9	Very high	97.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.2	-42	176.7	0	0	0	0	0	112.7	L114 F126 G157 I163 I164 I165 L184	L114-A161 HydrophobicContact CB-CB 3.64Å; L114-A161 HydrophobicContact CD1-CB 3.69Å; L114-A161 HydrophobicContact CG-CB 4.28Å; F126-A161 HydrophobicContact CE2-CB 4.2Å; F126-A161 HydrophobicContact CZ-CB 4.28Å; G157-A161 VanDerWaalsContact O-CB 3.24Å; G157-A161 WeakPolarHBondContact O-CB 3.11Å; G157-A161 PolarHBondContact O-N 2.89Å; A161-I163 PolarHBondContact O-N 2.82Å; A161-I164 PolarHBondContact O-N 3.43Å; A161-I165 WeakPolarHBondContact O-CD1 3.33Å; A161-I165 VanDerWaalsContact O-CG1 3.26Å; A161-I165 WeakPolarHBondContact O-CG1 3.11Å; A161-I165 PolarHBondContact O-N 2.9Å; A161-L184 HydrophobicContact CB-CD1 3.75Å
162	H	98.9	Very high	97.6	Very high	6 Å²	6	24 Å²	24	3%	0.028	13%	0.131	C	C	.	.	H	α-helix	trans	-60	-45.2	174.4	172.2	72.2	0	0	0	111.8	L158 L159 S160 I164 I165 T166 Y180 D182 L184	L158-H162 VanDerWaalsContact O-CB 3.26Å; L158-H162 WeakPolarHBondContact O-CB 3.42Å; L158-H162 PolarHBondContact O-N 2.95Å; L159-H162 PolarHBondContact O-N 3.25Å; S160-H162 PolarHBondContact O-N 3.26Å; H162-I164 VanDerWaalsContact C-N 3.33Å; H162-I164 PolarHBondContact O-N 3.07Å; H162-I165 PolarHBondContact O-N 2.76Å; H162-T166 WeakPolarHBondContact O-CB 3.34Å; H162-T166 WeakPolarHBondContact O-CG2 3.39Å; H162-T166 PolarHBondContact O-N 2.88Å; H162-T166 PolarHBondContact O-OG1 3.15Å; H162-Y180 AromaticContact ND1-CE1 3.93Å; H162-Y180 AromaticContact ND1-CZ 3.87Å; H162-Y180 PolarHBondContact ND1-OH 2.74Å; H162-D182 IonicContact CE1-OD1 3.98Å; H162-D182 PolarHBondContact CE1-OD1 3.4Å; H162-D182 VanDerWaalsContact CE1-OD1 3.3Å; H162-D182 IonicContact ND1-OD1 2.8Å; H162-L184 HydrophobicContact CB-CB 4.13Å
163	I	98.6	Very high	97.5	Very high	5 Å²	5	25.6 Å²	25.6	3%	0.026	15%	0.148	C	C	.	.	H	α-helix	trans	-60.2	-44.7	178.1	-74.3	164.2	0	0	0	110.4	L159 S160 A161 T166 D167 L243 F508 P509 R512 I513	L159-I163 WeakPolarHBondContact O-CB 3.25Å; L159-I163 WeakPolarHBondContact O-CD1 3.45Å; L159-I163 WeakPolarHBondContact O-CG1 3.4Å; L159-I163 PolarHBondContact O-N 3.2Å; S160-I163 PolarHBondContact O-N 3.19Å; A161-I163 PolarHBondContact O-N 2.82Å; I163-T166 CarbonylContact O-C 3.53Å; I163-T166 PolarHBondContact O-N 3.25Å; I163-T166 PolarHBondContact O-OG1 3.38Å; I163-D167 PolarHBondContact O-N 3Å; I163-L243 HydrophobicContact CD1-CD1 4.09Å; I163-L243 HydrophobicContact CG1-CD1 3.91Å; I163-L243 HydrophobicContact CG1-CD2 4.18Å; I163-F508 HydrophobicContact CD1-CD1 3.87Å; I163-F508 HydrophobicContact CD1-CE1 4.17Å; I163-P509 VanDerWaalsContact CG2-CD 3.46Å; I163-P509 HydrophobicContact CG2-CG 3.43Å; I163-P509 VanDerWaalsContact CG2-CG 3.43Å; I163-R512 PolarHBondContact O-NH1 3.23Å; I163-I513 HydrophobicContact CD1-CD1 4.24Å
164	I	98.5	Very high	97.4	Very high	14 Å²	14	29.8 Å²	29.8	7%	0.072	17%	0.168	C	C	.	.	H	α-helix	trans	-61.8	-45.6	177	-71.2	169.8	0	0	0	111.3	D115 A118 F126 S160 A161 H162 T166 D167 F172 L175	D115-I164 HydrophobicContact CB-CD1 3.67Å; A118-I164 HydrophobicContact CB-CD1 3.97Å; A118-I164 HydrophobicContact CB-CG2 3.91Å; F126-I164 HydrophobicContact CZ-CG2 4.44Å; S160-I164 WeakPolarHBondContact O-CG1 3.21Å; S160-I164 PolarHBondContact O-N 3.35Å; A161-I164 PolarHBondContact O-N 3.43Å; H162-I164 VanDerWaalsContact C-N 3.33Å; H162-I164 PolarHBondContact O-N 3.07Å; I164-T166 VanDerWaalsContact C-N 3.25Å; I164-T166 PolarHBondContact O-N 2.99Å; I164-D167 WeakPolarHBondContact O-CB 3.29Å; I164-D167 PolarHBondContact O-N 3.06Å; I164-F172 HydrophobicContact CG1-CD2 4.39Å; I164-F172 HydrophobicContact CG1-CE2 4.47Å; I164-F172 HydrophobicContact CG2-CD2 4.3Å; I164-L175 HydrophobicContact CG2-CB 4.49Å; I164-L175 HydrophobicContact CG2-CD1 3.3Å
165	I	98.6	Very high	97.3	Very high	11 Å²	11	30 Å²	30	6%	0.056	17%	0.169	C	C	.	.	H	α-helix	trans	-61.4	-35	178.7	-73.1	163.1	0	0	0	112.5	F126 V130 A161 H162 R176 Y180 L184	F126-I165 HydrophobicContact CE1-CD1 3.94Å; F126-I165 HydrophobicContact CE1-CG1 3.52Å; F126-I165 HydrophobicContact CZ-CD1 3.87Å; F126-I165 HydrophobicContact CZ-CG1 3.64Å; V130-I165 HydrophobicContact CG1-CD1 4.07Å; V130-I165 HydrophobicContact CG2-CD1 3.91Å; A161-I165 WeakPolarHBondContact O-CD1 3.33Å; A161-I165 VanDerWaalsContact O-CG1 3.26Å; A161-I165 WeakPolarHBondContact O-CG1 3.11Å; A161-I165 PolarHBondContact O-N 2.9Å; H162-I165 PolarHBondContact O-N 2.76Å; I165-R176 HydrophobicContact CG2-CB 4.06Å; I165-R176 HydrophobicContact CG2-CG 3.85Å; I165-Y180 HydrophobicContact CB-CE1 4.36Å; I165-Y180 HydrophobicContact CD1-CD2 4.17Å; I165-Y180 HydrophobicContact CD1-CE1 4.49Å; I165-Y180 HydrophobicContact CD1-CE2 3.66Å; I165-Y180 HydrophobicContact CG2-CD1 3.47Å; I165-Y180 VanDerWaalsContact CG2-CD1 3.47Å; I165-Y180 HydrophobicContact CG2-CD2 4.35Å; I165-Y180 HydrophobicContact CG2-CE1 3.49Å; I165-Y180 VanDerWaalsContact CG2-CE1 3.49Å; I165-Y180 HydrophobicContact CG2-CE2 4.36Å; I165-Y180 HydrophobicContact CG2-CG 3.92Å; I165-L184 HydrophobicContact CD1-CD1 3.81Å
166	T	97.9	Very high	97.2	Very high	28 Å²	28	34.1 Å²	34.1	17%	0.172	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	11.5	-174.6	57.4	0	0	0	0	112.7	H162 I163 I164 P168 Y180 R512	H162-T166 WeakPolarHBondContact O-CB 3.34Å; H162-T166 WeakPolarHBondContact O-CG2 3.39Å; H162-T166 PolarHBondContact O-N 2.88Å; H162-T166 PolarHBondContact O-OG1 3.15Å; I163-T166 CarbonylContact O-C 3.53Å; I163-T166 PolarHBondContact O-N 3.25Å; I163-T166 PolarHBondContact O-OG1 3.38Å; I164-T166 VanDerWaalsContact C-N 3.25Å; I164-T166 PolarHBondContact O-N 2.99Å; T166-P168 VanDerWaalsContact O-CD 3.23Å; T166-P168 WeakPolarHBondContact O-CD 3.24Å; T166-Y180 HydrophobicContact CG2-CE1 4.31Å; T166-R512 PolarHBondContact O-NH1 3.1Å; T166-R512 PolarHBondContact OG1-NH1 2.95Å; T166-R512 PolarHBondContact OG1-NH2 3.38Å
167	D	96.3	Very high	97.1	Very high	24 Å²	24	34.8 Å²	34.8	13%	0.128	19%	0.189	C	C	.	.			trans	-67.6	113.1	175.6	178.7	18.3	0	0	0	110.1	I163 I164 I169 E170 S171	I163-D167 PolarHBondContact O-N 3Å; I164-D167 WeakPolarHBondContact O-CB 3.29Å; I164-D167 PolarHBondContact O-N 3.06Å; D167-I169 PolarHBondContact O-N 2.64Å; D167-I169 PolarHBondContact OD1-N 3.36Å; D167-E170 PolarHBondContact O-N 3.08Å; D167-E170 PolarHBondContact OD2-N 2.86Å; D167-S171 VanDerWaalsContact OD2-CB 3.25Å; D167-S171 WeakPolarHBondContact OD2-CB 3.33Å; D167-S171 PolarHBondContact OD2-N 3.18Å; D167-S171 PolarHBondContact OD2-OG 2.91Å
168	P	93.2	Very high	96.9	Very high	116 Å²	116	40.8 Å²	40.8	75%	0.753	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-17.9	179.9	28.7	-36.5	0	0	0	113.4	T166	T166-P168 VanDerWaalsContact O-CD 3.23Å; T166-P168 WeakPolarHBondContact O-CD 3.24Å
169	I	93.4	Very high	96.7	Very high	136 Å²	136	44.2 Å²	44.2	70%	0.697	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-19.6	176.9	-59.9	174.8	0	0	0	110.8	D167 S171	D167-I169 PolarHBondContact O-N 2.64Å; D167-I169 PolarHBondContact OD1-N 3.36Å; I169-S171 VanDerWaalsContact C-N 3.34Å
170	E	95.1	Very high	96.7	Very high	92 Å²	92	44.8 Å²	44.8	43%	0.43	27%	0.266	S	S	.	.			trans	51.4	50.5	-171.4	-60.3	-168.4	149.7	0	0	112	D167 F172 G173 H174	D167-E170 PolarHBondContact O-N 3.08Å; D167-E170 PolarHBondContact OD2-N 2.86Å; E170-F172 PolarHBondContact O-N 3.28Å; E170-G173 WeakPolarHBondContact O-CA 3.37Å; E170-G173 PolarHBondContact O-N 3.24Å; E170-H174 IonicContact OE1-CE1 3.14Å; E170-H174 IonicContact OE1-CG 3.42Å; E170-H174 IonicContact OE1-ND1 3.18Å; E170-H174 PolarHBondContact OE1-ND1 3.4Å; E170-H174 IonicContact OE2-ND1 2.61Å
171	S	94.6	Very high	96.6	Very high	31 Å²	31	50.5 Å²	50.5	22%	0.217	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-24.2	-174	-52.3	0	0	0	0	113.9	D167 I169 P491 Y499	D167-S171 VanDerWaalsContact OD2-CB 3.25Å; D167-S171 WeakPolarHBondContact OD2-CB 3.33Å; D167-S171 PolarHBondContact OD2-N 3.18Å; D167-S171 PolarHBondContact OD2-OG 2.91Å; I169-S171 VanDerWaalsContact C-N 3.34Å; S171-P491 WeakPolarHBondContact O-CB 3.42Å; S171-P491 VanDerWaalsContact O-CG 3.29Å; S171-P491 WeakPolarHBondContact O-CG 3.36Å; S171-Y499 WeakPolarHBondContact CB-OH 3.17Å; S171-Y499 PolarHBondContact OG-OH 3.36Å
172	F	96.2	Very high	96.6	Very high	24 Å²	24	53.3 Å²	53.3	11%	0.105	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	17.4	177.7	-61.2	-84.6	0	0	0	112.8	I119 I164 E170 L175 P491 V492 L507	I119-F172 HydrophobicContact CG1-CE1 3.9Å; I119-F172 HydrophobicContact CG1-CZ 4.28Å; I164-F172 HydrophobicContact CG1-CD2 4.39Å; I164-F172 HydrophobicContact CG1-CE2 4.47Å; I164-F172 HydrophobicContact CG2-CD2 4.3Å; E170-F172 PolarHBondContact O-N 3.28Å; F172-L175 HydrophobicContact CB-CD1 3.53Å; F172-L175 HydrophobicContact CB-CG 4.48Å; F172-P491 HydrophobicContact CD1-CB 4.16Å; F172-P491 HydrophobicContact CD1-CG 4.11Å; F172-P491 HydrophobicContact CE1-CB 3.89Å; F172-P491 HydrophobicContact CE1-CG 4.24Å; F172-P491 HydrophobicContact CZ-CB 4.32Å; F172-V492 HydrophobicContact CE1-CG2 3.79Å; F172-V492 HydrophobicContact CZ-CG2 3.62Å; F172-L507 HydrophobicContact CE2-CD2 3.66Å; F172-L507 HydrophobicContact CZ-CD2 3.48Å; F172-L507 VanDerWaalsContact CZ-CD2 3.48Å
173	G	95.8	Very high	96.6	Very high	37 Å²	37	55.8 Å²	55.8	38%	0.381	32%	0.323	S	S	.	.			trans	79.5	-175.7	-173.2	0	0	0	0	0	113.5	E170 L175	E170-G173 WeakPolarHBondContact O-CA 3.37Å; E170-G173 PolarHBondContact O-N 3.24Å; G173-L175 PolarHBondContact O-N 2.9Å
174	H	96.3	Very high	96.6	Very high	102 Å²	102	55.5 Å²	55.5	47%	0.472	32%	0.322	S	S	.	.	S	Bend	trans	-75.3	88	-175.9	-172.8	66.4	0	0	0	112.1	K127 E170	K127-H174 WeakPolarHBondContact CE-O 3.44Å; K127-H174 PolarHBondContact NZ-O 2.88Å; E170-H174 IonicContact OE1-CE1 3.14Å; E170-H174 IonicContact OE1-CG 3.42Å; E170-H174 IonicContact OE1-ND1 3.18Å; E170-H174 PolarHBondContact OE1-ND1 3.4Å; E170-H174 IonicContact OE2-ND1 2.61Å
175	L	97.7	Very high	96.6	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.016	32%	0.322	C	S	.	.			trans	-97.4	-9.4	-176.6	-68.5	177.5	0	0	0	114.2	A118 T123 F126 K127 I164 F172 G173 P177	A118-L175 HydrophobicContact CB-CD1 3.49Å; A118-L175 VanDerWaalsContact CB-CD1 3.49Å; T123-L175 HydrophobicContact CG2-CD2 3.87Å; F126-L175 HydrophobicContact CB-CD2 4.35Å; F126-L175 HydrophobicContact CD1-CB 3.86Å; F126-L175 HydrophobicContact CD1-CD2 3.98Å; F126-L175 HydrophobicContact CD1-CG 4.34Å; F126-L175 HydrophobicContact CE1-CB 3.8Å; F126-L175 WeakPolarHBondContact CE1-O 3.34Å; F126-L175 HydrophobicContact CG-CD2 4.28Å; K127-L175 WeakPolarHBondContact CG-O 3.48Å; I164-L175 HydrophobicContact CG2-CB 4.49Å; I164-L175 HydrophobicContact CG2-CD1 3.3Å; F172-L175 HydrophobicContact CB-CD1 3.53Å; F172-L175 HydrophobicContact CB-CG 4.48Å; G173-L175 PolarHBondContact O-N 2.9Å; L175-P177 VanDerWaalsContact O-CD 3.23Å; L175-P177 WeakPolarHBondContact O-CD 3.4Å
176	R	97.5	Very high	96.6	Very high	88 Å²	88	59.5 Å²	59.5	33%	0.332	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-64.5	119.2	-179.2	-173.2	171.8	-169.8	106.3	-2	111.1	I165 Y180	I165-R176 HydrophobicContact CG2-CB 4.06Å; I165-R176 HydrophobicContact CG2-CG 3.85Å; R176-Y180 PolarHBondContact NH2-O 3.24Å
177	P	96.5	Very high	96.7	Very high	13 Å²	13	59.3 Å²	59.3	8%	0.084	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-65.3	149.3	172.9	-20.5	33.3	0	0	0	111.6	K127 V130 L175 G179 Y180	K127-P177 HydrophobicContact CB-CG 4.41Å; K127-P177 HydrophobicContact CG-CG 4.28Å; V130-P177 HydrophobicContact CB-CG 3.96Å; V130-P177 HydrophobicContact CG1-CG 3.78Å; L175-P177 VanDerWaalsContact O-CD 3.23Å; L175-P177 WeakPolarHBondContact O-CD 3.4Å; P177-G179 PolarHBondContact O-N 3.22Å; P177-Y180 HydrophobicContact CG-CD2 4.48Å; P177-Y180 WeakPolarHBondContact O-CB 3.38Å; P177-Y180 PolarHBondContact O-N 2.98Å
178	P	94.2	Very high	96.8	Very high	127 Å²	127	58.1 Å²	58.1	83%	0.825	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	128.6	174.6	-23.1	33.4	0	0	0	111.6	Y180	P178-Y180 VanDerWaalsContact C-N 3.29Å; P178-Y180 PolarHBondContact O-N 3.37Å
179	G	95.2	Very high	97.1	Very high	72 Å²	72	55.5 Å²	55.5	74%	0.742	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	4.9	177.8	0	0	0	0	0	115.6	P177 D181	P177-G179 PolarHBondContact O-N 3.22Å; G179-D181 PolarHBondContact O-N 3.42Å
180	Y	98.2	Very high	97.3	Very high	11 Å²	11	52 Å²	52	4%	0.043	30%	0.295	C	S	.	.			trans	-55.9	129.4	173.7	-175.1	-90.3	0	0	0	111.1	V130 H162 I165 T166 R176 P177 P178 E183 L184	V130-Y180 HydrophobicContact CG1-CD2 4.11Å; V130-Y180 HydrophobicContact CG1-CE2 4.04Å; H162-Y180 AromaticContact ND1-CE1 3.93Å; H162-Y180 AromaticContact ND1-CZ 3.87Å; H162-Y180 PolarHBondContact ND1-OH 2.74Å; I165-Y180 HydrophobicContact CB-CE1 4.36Å; I165-Y180 HydrophobicContact CD1-CD2 4.17Å; I165-Y180 HydrophobicContact CD1-CE1 4.49Å; I165-Y180 HydrophobicContact CD1-CE2 3.66Å; I165-Y180 HydrophobicContact CG2-CD1 3.47Å; I165-Y180 VanDerWaalsContact CG2-CD1 3.47Å; I165-Y180 HydrophobicContact CG2-CD2 4.35Å; I165-Y180 HydrophobicContact CG2-CE1 3.49Å; I165-Y180 VanDerWaalsContact CG2-CE1 3.49Å; I165-Y180 HydrophobicContact CG2-CE2 4.36Å; I165-Y180 HydrophobicContact CG2-CG 3.92Å; T166-Y180 HydrophobicContact CG2-CE1 4.31Å; R176-Y180 PolarHBondContact NH2-O 3.24Å; P177-Y180 HydrophobicContact CG-CD2 4.48Å; P177-Y180 WeakPolarHBondContact O-CB 3.38Å; P177-Y180 PolarHBondContact O-N 2.98Å; P178-Y180 VanDerWaalsContact C-N 3.29Å; P178-Y180 PolarHBondContact O-N 3.37Å; Y180-E183 WeakPolarHBondContact CD2-OE2 3.29Å; Y180-E183 WeakPolarHBondContact CE2-OE2 3.34Å; Y180-L184 HydrophobicContact CE2-CD1 4.29Å; Y180-L184 HydrophobicContact CE2-CG 3.98Å; Y180-L184 WeakPolarHBondContact OH-CB 3.2Å
181	D	97.7	Very high	97.4	Very high	120 Å²	120	47.6 Å²	47.6	64%	0.642	27%	0.274	S	S	*	.			trans	-140	54.3	-175.2	-164.8	37.6	0	0	0	110.1	G179 E183	G179-D181 PolarHBondContact O-N 3.42Å; D181-E183 VanDerWaalsContact C-N 3.28Å; D181-E183 PolarHBondContact N-OE2 3.48Å; D181-E183 PolarHBondContact O-N 3.21Å
182	D	98.5	Very high	97.6	Very high	59 Å²	59	46.1 Å²	46.1	32%	0.316	26%	0.264	S	S	.	.	S	Bend	trans	62.3	26.4	174.5	-58.5	-21	0	0	0	115	H162 L184 L185 N186	H162-D182 IonicContact CE1-OD1 3.98Å; H162-D182 PolarHBondContact CE1-OD1 3.4Å; H162-D182 VanDerWaalsContact CE1-OD1 3.3Å; H162-D182 IonicContact ND1-OD1 2.8Å; D182-L184 VanDerWaalsContact C-N 3.29Å; D182-L184 PolarHBondContact O-N 3Å; D182-L185 HydrophobicContact CB-CB 4.31Å; D182-L185 WeakPolarHBondContact O-CB 3.24Å; D182-L185 PolarHBondContact O-N 3.44Å; D182-N186 PolarHBondContact O-N 3.27Å; D182-N186 PolarHBondContact O-ND2 2.82Å
183	E	98.7	Very high	97.6	Very high	58 Å²	58	48.3 Å²	48.3	27%	0.271	28%	0.277	S	S	.	.	H	α-helix	trans	-59	-37.5	-176.9	-61.5	94.8	144.4	0	0	112.9	T134 Y180 D181 N186 L187	T134-E183 HydrophobicContact CG2-CB 3.52Å; T134-E183 HydrophobicContact CG2-CG 4.17Å; Y180-E183 WeakPolarHBondContact CD2-OE2 3.29Å; Y180-E183 WeakPolarHBondContact CE2-OE2 3.34Å; D181-E183 VanDerWaalsContact C-N 3.28Å; D181-E183 PolarHBondContact N-OE2 3.48Å; D181-E183 PolarHBondContact O-N 3.21Å; E183-N186 WeakPolarHBondContact O-CB 3.3Å; E183-N186 PolarHBondContact O-N 3.44Å; E183-L187 WeakPolarHBondContact O-CG 3.45Å; E183-L187 PolarHBondContact O-N 3.21Å
184	L	98.9	Very high	97.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-69.3	-35.3	177	-58	179.6	0	0	0	112	L114 V130 V133 T134 L158 A161 H162 I165 Y180 D182 N186 L187 A188	L114-L184 HydrophobicContact CD1-CD1 4.28Å; V130-L184 HydrophobicContact CG1-CD1 4.12Å; V130-L184 HydrophobicContact CG1-CD2 4.44Å; V130-L184 HydrophobicContact CG1-CG 4.35Å; V130-L184 HydrophobicContact CG2-CD1 4.27Å; V133-L184 HydrophobicContact CB-CD2 4.3Å; V133-L184 HydrophobicContact CG1-CD2 3.65Å; T134-L184 HydrophobicContact CG2-CD2 4.19Å; L158-L184 HydrophobicContact CD2-CB 4.29Å; L158-L184 HydrophobicContact CD2-CD2 3.79Å; A161-L184 HydrophobicContact CB-CD1 3.75Å; H162-L184 HydrophobicContact CB-CB 4.13Å; I165-L184 HydrophobicContact CD1-CD1 3.81Å; Y180-L184 HydrophobicContact CE2-CD1 4.29Å; Y180-L184 HydrophobicContact CE2-CG 3.98Å; Y180-L184 WeakPolarHBondContact OH-CB 3.2Å; D182-L184 VanDerWaalsContact C-N 3.29Å; D182-L184 PolarHBondContact O-N 3Å; L184-N186 VanDerWaalsContact C-N 3.35Å; L184-L187 HydrophobicContact CD2-CD1 4.2Å; L184-L187 PolarHBondContact O-N 2.8Å; L184-A188 WeakPolarHBondContact O-CB 3.34Å; L184-A188 PolarHBondContact O-N 3.19Å
185	L	98.9	Very high	97.6	Very high	14 Å²	14	43 Å²	43	7%	0.073	24%	0.241	C	C	.	.	H	α-helix	trans	-67.5	-39	173.9	-179.7	60.7	0	0	0	110.8	L159 D182 L187 A188 H189 L240 L243 L244	L159-L185 HydrophobicContact CD2-CD1 4.23Å; D182-L185 HydrophobicContact CB-CB 4.31Å; D182-L185 WeakPolarHBondContact O-CB 3.24Å; D182-L185 PolarHBondContact O-N 3.44Å; L185-L187 VanDerWaalsContact C-N 3.34Å; L185-L187 PolarHBondContact O-N 3.38Å; L185-A188 WeakPolarHBondContact O-CB 3.11Å; L185-A188 PolarHBondContact O-N 2.97Å; L185-H189 WeakPolarHBondContact O-CB 3.38Å; L185-H189 PolarHBondContact O-N 3.42Å; L185-L240 HydrophobicContact CD1-CD1 3.92Å; L185-L243 HydrophobicContact CD1-CB 3.85Å; L185-L243 HydrophobicContact CD1-CD1 4.17Å; L185-L243 HydrophobicContact CD2-CB 4.25Å; L185-L244 HydrophobicContact CD1-CD2 4.07Å; L185-L244 HydrophobicContact CD1-CG 4.41Å; L185-L244 HydrophobicContact CD2-CD2 4.14Å; L185-L244 HydrophobicContact CG-CD2 4.01Å
186	N	98.8	Very high	97.4	Very high	94 Å²	94	45.1 Å²	45.1	50%	0.503	25%	0.252	S	S	.	.	H	α-helix	trans	-62.5	-40.4	173.7	-71.3	-39.6	0	0	0	111.9	D182 E183 L184 N190	D182-N186 PolarHBondContact O-N 3.27Å; D182-N186 PolarHBondContact O-ND2 2.82Å; E183-N186 WeakPolarHBondContact O-CB 3.3Å; E183-N186 PolarHBondContact O-N 3.44Å; L184-N186 VanDerWaalsContact C-N 3.35Å; N186-N190 VanDerWaalsContact O-CB 3.29Å; N186-N190 WeakPolarHBondContact O-CB 3.27Å; N186-N190 PolarHBondContact O-N 3.36Å
187	L	98.8	Very high	97.2	Very high	24 Å²	24	42.9 Å²	42.9	13%	0.126	25%	0.247	C	C	.	.	H	α-helix	trans	-64.9	-45.3	173.3	-74.1	161.5	0	0	0	111.6	V133 L137 F139 L158 E183 L184 L185 H189 N190 L191	V133-L187 HydrophobicContact CG1-CD1 4.04Å; L137-L187 HydrophobicContact CB-CD2 4.43Å; L137-L187 HydrophobicContact CD2-CD1 4.11Å; L137-L187 HydrophobicContact CD2-CD2 4.17Å; L137-L187 HydrophobicContact CG-CD2 4.12Å; F139-L187 HydrophobicContact CD2-CD2 4.41Å; F139-L187 HydrophobicContact CE2-CB 4.16Å; F139-L187 HydrophobicContact CE2-CD2 4.03Å; F139-L187 VanDerWaalsContact CE2-O 3.3Å; F139-L187 WeakPolarHBondContact CE2-O 3.32Å; L158-L187 HydrophobicContact CD1-CB 3.91Å; L158-L187 HydrophobicContact CD2-CB 4.25Å; L158-L187 HydrophobicContact CD2-CD1 4.46Å; E183-L187 WeakPolarHBondContact O-CG 3.45Å; E183-L187 PolarHBondContact O-N 3.21Å; L184-L187 HydrophobicContact CD2-CD1 4.2Å; L184-L187 PolarHBondContact O-N 2.8Å; L185-L187 VanDerWaalsContact C-N 3.34Å; L185-L187 PolarHBondContact O-N 3.38Å; L187-H189 PolarHBondContact O-N 3.05Å; L187-N190 WeakPolarHBondContact O-CB 3.23Å; L187-N190 PolarHBondContact O-N 2.71Å; L187-L191 PolarHBondContact O-N 3.46Å
188	A	98.9	Very high	97.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58.2	-47	176.2	0	0	0	0	0	111.5	L155 L158 L159 L184 L185 N190 L191 A192 L240	L155-A188 HydrophobicContact CD1-CB 3.53Å; L155-A188 WeakPolarHBondContact CD1-O 3.33Å; L158-A188 HydrophobicContact CB-CB 4.05Å; L158-A188 HydrophobicContact CD1-CB 4.38Å; L159-A188 HydrophobicContact CD2-CB 3.91Å; L159-A188 HydrophobicContact CG-CB 4.17Å; L184-A188 WeakPolarHBondContact O-CB 3.34Å; L184-A188 PolarHBondContact O-N 3.19Å; L185-A188 WeakPolarHBondContact O-CB 3.11Å; L185-A188 PolarHBondContact O-N 2.97Å; A188-N190 PolarHBondContact O-N 3.49Å; A188-L191 PolarHBondContact O-N 3.49Å; A188-A192 WeakPolarHBondContact O-CB 3.46Å; A188-A192 PolarHBondContact O-N 3.02Å; A188-L240 HydrophobicContact CB-CD1 4.16Å
189	H	98.7	Very high	97.1	Very high	60 Å²	60	37.6 Å²	37.6	28%	0.278	21%	0.211	S	C	.	.	H	α-helix	trans	-61.8	-42.4	175.8	-176.9	-161.7	0	0	0	111.9	L185 L187 A192 N193 L240 L244 Y249	L185-H189 WeakPolarHBondContact O-CB 3.38Å; L185-H189 PolarHBondContact O-N 3.42Å; L187-H189 PolarHBondContact O-N 3.05Å; H189-A192 PolarHBondContact O-N 2.86Å; H189-N193 PolarHBondContact CD2-ND2 3.2Å; H189-N193 PolarHBondContact NE2-ND2 3Å; H189-N193 WeakPolarHBondContact O-CB 3.01Å; H189-N193 PolarHBondContact O-N 3.47Å; H189-N193 PolarHBondContact O-ND2 3.28Å; H189-N193 VanDerWaalsContact O-ND2 3.16Å; H189-L240 HydrophobicContact CB-CD1 4.44Å; H189-L244 HydrophobicContact CB-CD1 4.12Å; H189-L244 HydrophobicContact CB-CD2 4.33Å; H189-Y249 AromaticContact CD2-CZ 3.9Å; H189-Y249 PolarHBondContact CD2-OH 2.83Å; H189-Y249 PolarHBondContact NE2-OH 3.42Å
190	N	97.9	Very high	96.7	Very high	62 Å²	62	36.2 Å²	36.2	33%	0.332	19%	0.19	S	C	.	.	H	α-helix	trans	-60.2	-47.1	176.1	-171.3	-41.7	0	0	0	111.8	F139 N186 L187 A188 N193 R194	F139-N190 HydrophobicContact CD2-CB 4.36Å; N186-N190 VanDerWaalsContact O-CB 3.29Å; N186-N190 WeakPolarHBondContact O-CB 3.27Å; N186-N190 PolarHBondContact O-N 3.36Å; L187-N190 WeakPolarHBondContact O-CB 3.23Å; L187-N190 PolarHBondContact O-N 2.71Å; A188-N190 PolarHBondContact O-N 3.49Å; N190-N193 PolarHBondContact O-N 3Å; N190-R194 WeakPolarHBondContact O-CG 3.45Å; N190-R194 PolarHBondContact O-N 2.99Å; N190-R194 PolarHBondContact OD1-NE 3.03Å; N190-R194 PolarHBondContact OD1-NH2 3.48Å
191	L	98.2	Very high	96.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.9	-47.3	177.7	179.7	58.1	0	0	0	112	F139 V154 L155 L187 A188 N193 R194 M195 F211 L213	F139-L191 HydrophobicContact CD1-CD1 3.9Å; F139-L191 HydrophobicContact CD2-CB 4.05Å; F139-L191 HydrophobicContact CE1-CB 4.23Å; F139-L191 HydrophobicContact CE1-CD1 3.87Å; F139-L191 HydrophobicContact CE1-CD2 3.98Å; F139-L191 HydrophobicContact CE1-CG 4.24Å; F139-L191 HydrophobicContact CE2-CB 3.69Å; F139-L191 HydrophobicContact CG-CB 4.47Å; F139-L191 HydrophobicContact CG-CD1 4.35Å; F139-L191 HydrophobicContact CZ-CB 3.78Å; F139-L191 HydrophobicContact CZ-CD1 4.29Å; F139-L191 HydrophobicContact CZ-CD2 3.87Å; F139-L191 HydrophobicContact CZ-CG 4.19Å; V154-L191 HydrophobicContact CB-CD2 3.75Å; V154-L191 HydrophobicContact CG1-CD2 3.61Å; L155-L191 HydrophobicContact CB-CD2 4.19Å; L187-L191 PolarHBondContact O-N 3.46Å; A188-L191 PolarHBondContact O-N 3.49Å; L191-N193 VanDerWaalsContact C-N 3.28Å; L191-N193 PolarHBondContact O-N 3.05Å; L191-R194 WeakPolarHBondContact O-CB 3.25Å; L191-R194 PolarHBondContact O-N 3.46Å; L191-M195 HydrophobicContact CD1-CE 3.98Å; L191-M195 HydrophobicContact CD2-CE 3.72Å; L191-M195 HydrophobicContact CG-CE 3.56Å; L191-M195 HydrophobicContact CG-SD 4.17Å; L191-M195 WeakPolarHBondContact O-CG 3.44Å; L191-M195 PolarHBondContact O-N 2.97Å; L191-F211 HydrophobicContact CD1-CE2 4.49Å; L191-F211 HydrophobicContact CD1-CZ 4.19Å; L191-L213 HydrophobicContact CD1-CD2 3.84Å
192	A	98	Very high	95.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.4	-38.2	179.8	0	0	0	0	0	112.2	L155 A188 H189 R194 M195 L196 L240 Y249	L155-A192 HydrophobicContact CD2-CB 4.38Å; A188-A192 WeakPolarHBondContact O-CB 3.46Å; A188-A192 PolarHBondContact O-N 3.02Å; H189-A192 PolarHBondContact O-N 2.86Å; A192-R194 VanDerWaalsContact C-N 3.3Å; A192-R194 PolarHBondContact O-N 3.21Å; A192-M195 WeakPolarHBondContact O-CB 3.46Å; A192-M195 PolarHBondContact O-N 2.92Å; A192-L196 WeakPolarHBondContact O-CG 3.36Å; A192-L196 PolarHBondContact O-N 2.87Å; A192-L240 HydrophobicContact CB-CD2 3.28Å; A192-Y249 HydrophobicContact CB-CD1 3.94Å; A192-Y249 HydrophobicContact CB-CE1 3.62Å
193	N	96.3	Very high	95.8	Very high	70 Å²	70	38.7 Å²	38.7	37%	0.374	21%	0.21	S	C	.	.	H	α-helix	trans	-61.2	-36.1	173.2	-82.2	-37.8	0	0	0	113.2	H189 N190 L191 L196 Y249	H189-N193 PolarHBondContact CD2-ND2 3.2Å; H189-N193 PolarHBondContact NE2-ND2 3Å; H189-N193 WeakPolarHBondContact O-CB 3.01Å; H189-N193 PolarHBondContact O-N 3.47Å; H189-N193 PolarHBondContact O-ND2 3.28Å; H189-N193 VanDerWaalsContact O-ND2 3.16Å; N190-N193 PolarHBondContact O-N 3Å; L191-N193 VanDerWaalsContact C-N 3.28Å; L191-N193 PolarHBondContact O-N 3.05Å; N193-L196 WeakPolarHBondContact O-CB 3.44Å; N193-L196 PolarHBondContact O-N 3.38Å; N193-Y249 PolarHBondContact ND2-OH 2.96Å; N193-Y249 PolarHBondContact OD1-OH 3.25Å
194	R	95.5	Very high	95.7	Very high	29 Å²	29	37.1 Å²	37.1	11%	0.109	20%	0.204	C	C	.	.	H	α-helix	trans	-71.4	-38.5	175.8	-65.6	164.6	-171.5	-84.2	-0.4	111.6	F139 N140 N190 L191 A192 L196 N197 F211 L213	F139-R194 PolarHBondContact O-NH1 2.93Å; N140-R194 PolarHBondContact OD1-NH1 2.81Å; N140-R194 PolarHBondContact OD1-NH2 3.35Å; N190-R194 WeakPolarHBondContact O-CG 3.45Å; N190-R194 PolarHBondContact O-N 2.99Å; N190-R194 PolarHBondContact OD1-NE 3.03Å; N190-R194 PolarHBondContact OD1-NH2 3.48Å; L191-R194 WeakPolarHBondContact O-CB 3.25Å; L191-R194 PolarHBondContact O-N 3.46Å; A192-R194 VanDerWaalsContact C-N 3.3Å; A192-R194 PolarHBondContact O-N 3.21Å; R194-L196 PolarHBondContact O-N 3.15Å; R194-N197 VanDerWaalsContact O-CB 3.26Å; R194-N197 WeakPolarHBondContact O-CB 3.3Å; R194-N197 PolarHBondContact O-N 3.25Å; R194-N197 PolarHBondContact O-ND2 2.75Å; R194-F211 HydrophobicContact CB-CD2 4.21Å; R194-F211 HydrophobicContact CB-CE2 3.81Å; R194-F211 WeakPolarHBondContact O-CD2 3.41Å; R194-L213 WeakPolarHBondContact CD-O 3.25Å; R194-L213 PolarHBondContact NH1-O 3.43Å
195	M	95.8	Very high	95.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58.7	-27.8	176	-68.2	163.7	166.5	0	0	112.5	I147 A150 T151 L155 L191 A192 N197 A198 F211 F237	I147-M195 HydrophobicContact CD1-CB 4.47Å; I147-M195 HydrophobicContact CG1-CB 4.35Å; I147-M195 HydrophobicContact CG1-CG 4.39Å; A150-M195 HydrophobicContact CB-CE 3.47Å; A150-M195 VanDerWaalsContact CB-CE 3.47Å; A150-M195 VanDerWaalsContact O-CE 3.29Å; A150-M195 WeakPolarHBondContact O-CE 3.42Å; T151-M195 WeakPolarHBondContact OG1-CE 3.07Å; L155-M195 HydrophobicContact CB-CE 4.33Å; L155-M195 HydrophobicContact CD2-SD 4.26Å; L191-M195 HydrophobicContact CD1-CE 3.98Å; L191-M195 HydrophobicContact CD2-CE 3.72Å; L191-M195 HydrophobicContact CG-CE 3.56Å; L191-M195 HydrophobicContact CG-SD 4.17Å; L191-M195 WeakPolarHBondContact O-CG 3.44Å; L191-M195 PolarHBondContact O-N 2.97Å; A192-M195 WeakPolarHBondContact O-CB 3.46Å; A192-M195 PolarHBondContact O-N 2.92Å; M195-N197 PolarHBondContact O-N 3.29Å; M195-N197 VanDerWaalsContact O-N 3.09Å; M195-A198 WeakPolarHBondContact O-CB 3.19Å; M195-A198 PolarHBondContact O-N 3.34Å; M195-F211 HydrophobicContact CB-CE2 4.42Å; M195-F211 HydrophobicContact CB-CZ 4.29Å; M195-F211 HydrophobicContact CE-CZ 4.33Å; M195-F211 HydrophobicContact CG-CE1 3.78Å; M195-F211 HydrophobicContact CG-CE2 3.84Å; M195-F211 HydrophobicContact CG-CZ 3.36Å; M195-F237 HydrophobicContact CB-CZ 4.2Å; M195-F237 HydrophobicContact SD-CE1 3.85Å; M195-F237 HydrophobicContact SD-CZ 4.14Å
196	L	94.6	Very high	95.5	Very high	47 Å²	47	37.1 Å²	37.1	25%	0.246	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-59.8	-19.6	175	-57.6	-173	0	0	0	113.3	A192 N193 R194 A198 L199 S200 F237 Y249 I252	A192-L196 WeakPolarHBondContact O-CG 3.36Å; A192-L196 PolarHBondContact O-N 2.87Å; N193-L196 WeakPolarHBondContact O-CB 3.44Å; N193-L196 PolarHBondContact O-N 3.38Å; R194-L196 PolarHBondContact O-N 3.15Å; L196-A198 VanDerWaalsContact C-N 3.26Å; L196-A198 PolarHBondContact O-N 3.25Å; L196-L199 HydrophobicContact CD2-CD1 4.2Å; L196-L199 CarbonylContact O-C 3.38Å; L196-L199 WeakPolarHBondContact O-CB 3.43Å; L196-L199 PolarHBondContact O-N 3.4Å; L196-S200 PolarHBondContact O-N 3.32Å; L196-S200 PolarHBondContact O-OG 2.75Å; L196-F237 HydrophobicContact CD2-CE2 4.4Å; L196-Y249 HydrophobicContact CD1-CE1 4.26Å; L196-Y249 HydrophobicContact CD2-CD1 4.41Å; L196-Y249 HydrophobicContact CD2-CE1 4.36Å; L196-Y249 HydrophobicContact CG-CE1 4.45Å; L196-I252 HydrophobicContact CD2-CD1 3.72Å
197	N	93.3	Very high	95.4	Very high	41 Å²	41	32.7 Å²	32.7	22%	0.219	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-62.1	-33.8	173.4	-67.4	-27.2	0	0	0	112.1	R194 M195 L199 S200 F211	R194-N197 VanDerWaalsContact O-CB 3.26Å; R194-N197 WeakPolarHBondContact O-CB 3.3Å; R194-N197 PolarHBondContact O-N 3.25Å; R194-N197 PolarHBondContact O-ND2 2.75Å; M195-N197 PolarHBondContact O-N 3.29Å; M195-N197 VanDerWaalsContact O-N 3.09Å; N197-L199 PolarHBondContact O-N 3Å; N197-S200 WeakPolarHBondContact O-CB 3.42Å; N197-S200 PolarHBondContact O-N 3.07Å; N197-F211 HydrophobicContact CB-CB 4.46Å
198	A	94.8	Very high	95.4	Very high	2 Å²	2	33.4 Å²	33.4	2%	0.017	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-66.9	-16.2	173.8	0	0	0	0	0	113.2	I147 M195 L196 P207 Y208 F211	I147-A198 HydrophobicContact CD1-CB 3.91Å; M195-A198 WeakPolarHBondContact O-CB 3.19Å; M195-A198 PolarHBondContact O-N 3.34Å; L196-A198 VanDerWaalsContact C-N 3.26Å; L196-A198 PolarHBondContact O-N 3.25Å; A198-P207 HydrophobicContact CB-CB 4.29Å; A198-P207 WeakPolarHBondContact O-CA 3.33Å; A198-Y208 WeakPolarHBondContact O-CD2 3.16Å; A198-Y208 PolarHBondContact O-N 3.02Å; A198-F211 HydrophobicContact CB-CB 4.15Å
199	L	93.1	Very high	95.2	Very high	26 Å²	26	33.4 Å²	33.4	14%	0.136	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-103.3	0.4	178.1	-69.9	160.1	0	0	0	112.7	L196 N197 D201 T202 P207 I252 I256	L196-L199 HydrophobicContact CD2-CD1 4.2Å; L196-L199 CarbonylContact O-C 3.38Å; L196-L199 WeakPolarHBondContact O-CB 3.43Å; L196-L199 PolarHBondContact O-N 3.4Å; N197-L199 PolarHBondContact O-N 3Å; L199-D201 PolarHBondContact O-N 3Å; L199-T202 HydrophobicContact CD2-CG2 4.42Å; L199-T202 WeakPolarHBondContact O-CG2 3.33Å; L199-P207 HydrophobicContact CD2-CB 3.69Å; L199-P207 HydrophobicContact CD2-CG 4.32Å; L199-P207 HydrophobicContact CG-CB 4.01Å; L199-I252 HydrophobicContact CD1-CG2 3.37Å; L199-I256 HydrophobicContact CD1-CD1 4.16Å; L199-I256 HydrophobicContact CD2-CD1 3.74Å; L199-I256 HydrophobicContact CD2-CG1 4.05Å
200	S	86.9	Confident	95.1	Very high	44 Å²	44	31.7 Å²	31.7	31%	0.308	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	123.2	176.7	-65	0	0	0	0	110.1	L196 N197 T202	L196-S200 PolarHBondContact O-N 3.32Å; L196-S200 PolarHBondContact O-OG 2.75Å; N197-S200 WeakPolarHBondContact O-CB 3.42Å; N197-S200 PolarHBondContact O-N 3.07Å; S200-T202 VanDerWaalsContact C-N 3.27Å; S200-T202 PolarHBondContact O-N 3.24Å
201	D	86.3	Confident	95	Very high	122 Å²	122	28.8 Å²	28.8	65%	0.652	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.3	19.2	172.9	-55	-56.1	0	0	0	116.6	L199 P203 K218	L199-D201 PolarHBondContact O-N 3Å; D201-P203 VanDerWaalsContact O-CD 3.28Å; D201-P203 WeakPolarHBondContact O-CD 3.42Å; D201-K218 WeakPolarHBondContact OD2-CE 3.49Å; D201-K218 IonicContact OD2-NZ 2.98Å; D201-K218 PolarHBondContact OD2-NZ 3.28Å
202	T	93.2	Very high	94.8	Very high	20 Å²	20	31.7 Å²	31.7	12%	0.123	17%	0.173	C	C	.	.			trans	-66.8	119.9	170.9	166.2	0	0	0	0	111	L199 S200 T204 G205 I206 V277	L199-T202 HydrophobicContact CD2-CG2 4.42Å; L199-T202 WeakPolarHBondContact O-CG2 3.33Å; S200-T202 VanDerWaalsContact C-N 3.27Å; S200-T202 PolarHBondContact O-N 3.24Å; T202-T204 PolarHBondContact O-N 3.4Å; T202-T204 PolarHBondContact OG1-N 2.88Å; T202-T204 PolarHBondContact OG1-OG1 2.94Å; T202-G205 PolarHBondContact O-N 3.13Å; T202-G205 PolarHBondContact OG1-N 2.93Å; T202-G205 VanDerWaalsContact OG1-N 3.15Å; T202-I206 WeakPolarHBondContact CB-O 3.4Å; T202-I206 WeakPolarHBondContact CG2-O 3.46Å; T202-I206 PolarHBondContact OG1-N 3.09Å; T202-I206 PolarHBondContact OG1-O 3.19Å; T202-V277 WeakPolarHBondContact OG1-CG1 3.5Å
203	P	95.7	Very high	94.6	Very high	99 Å²	99	31.7 Å²	31.7	64%	0.643	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-27.5	178.8	-22.6	33.8	0	0	0	113.4	D201	D201-P203 VanDerWaalsContact O-CD 3.28Å; D201-P203 WeakPolarHBondContact O-CD 3.42Å
204	T	97	Very high	94.2	Very high	25 Å²	25	30.8 Å²	30.8	15%	0.153	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-12.9	-177.1	60.8	0	0	0	0	113.1	T202 I206 N259 V277	T202-T204 PolarHBondContact O-N 3.4Å; T202-T204 PolarHBondContact OG1-N 2.88Å; T202-T204 PolarHBondContact OG1-OG1 2.94Å; T204-I206 PolarHBondContact O-N 3.35Å; T204-I206 WeakPolarHBondContact OG1-CB 3.43Å; T204-I206 PolarHBondContact OG1-N 3Å; T204-N259 PolarHBondContact O-ND2 3.25Å; T204-V277 WeakPolarHBondContact CB-O 3.48Å; T204-V277 WeakPolarHBondContact CG2-O 3.5Å; T204-V277 PolarHBondContact OG1-O 3.46Å
205	G	96.1	Very high	93	Very high	14 Å²	14	33.7 Å²	33.7	14%	0.144	19%	0.192	C	C	.	.	S	Bend	trans	71.5	14.4	-170.6	0	0	0	0	0	113.9	T202 I256	T202-G205 PolarHBondContact O-N 3.13Å; T202-G205 PolarHBondContact OG1-N 2.93Å; T202-G205 VanDerWaalsContact OG1-N 3.15Å; G205-I256 WeakPolarHBondContact O-CG1 3.4Å
206	I	97.9	Very high	91.6	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-95.4	139	172.2	-61.8	172.5	0	0	0	107.8	T202 T204 A230 N259 L260 I275 V277	T202-I206 WeakPolarHBondContact CB-O 3.4Å; T202-I206 WeakPolarHBondContact CG2-O 3.46Å; T202-I206 PolarHBondContact OG1-N 3.09Å; T202-I206 PolarHBondContact OG1-O 3.19Å; T204-I206 PolarHBondContact O-N 3.35Å; T204-I206 WeakPolarHBondContact OG1-CB 3.43Å; T204-I206 PolarHBondContact OG1-N 3Å; I206-A230 HydrophobicContact CG2-CB 3.8Å; I206-N259 HydrophobicContact CG1-CB 4.25Å; I206-L260 HydrophobicContact CD1-CD2 3.77Å; I206-L260 HydrophobicContact CD1-CG 4.29Å; I206-L260 HydrophobicContact CG1-CD2 4.3Å; I206-L260 HydrophobicContact CG1-CG 4.41Å; I206-L260 HydrophobicContact CG2-CD2 4.36Å; I206-I275 HydrophobicContact CD1-CD1 3.77Å; I206-I275 HydrophobicContact CG2-CG2 4.49Å; I206-V277 HydrophobicContact CG2-CG2 4.06Å; I206-V277 WeakPolarHBondContact O-CG1 3.2Å
207	P	97.3	Very high	90.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-70.2	143	-178.2	28	-34.3	0	0	0	111.8	I147 A198 L199 N225 A230 L233 I256 V277	I147-P207 HydrophobicContact CD1-CB 3.78Å; I147-P207 HydrophobicContact CD1-CG 4.32Å; A198-P207 HydrophobicContact CB-CB 4.29Å; A198-P207 WeakPolarHBondContact O-CA 3.33Å; L199-P207 HydrophobicContact CD2-CB 3.69Å; L199-P207 HydrophobicContact CD2-CG 4.32Å; L199-P207 HydrophobicContact CG-CB 4.01Å; P207-N225 PolarHBondContact O-ND2 3.46Å; P207-A230 HydrophobicContact CG-CB 4.34Å; P207-L233 HydrophobicContact CG-CD1 4.39Å; P207-I256 HydrophobicContact CG-CD1 4.31Å; P207-V277 VanDerWaalsContact O-CG2 3.29Å; P207-V277 WeakPolarHBondContact O-CG2 3.26Å
208	Y	97.1	Very high	89.9	Confident	39 Å²	39	42 Å²	42	15%	0.153	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-57.3	149.1	159.3	-68	-68.2	0	0	0	109.9	A198 R210 T223 V277 D278	A198-Y208 WeakPolarHBondContact O-CD2 3.16Å; A198-Y208 PolarHBondContact O-N 3.02Å; Y208-R210 PolarHBondContact O-N 3.29Å; Y208-T223 HydrophobicContact CE1-CG2 4.1Å; Y208-V277 HydrophobicContact CD1-CB 4.05Å; Y208-V277 HydrophobicContact CD1-CG1 3.86Å; Y208-V277 HydrophobicContact CD1-CG2 4.49Å; Y208-V277 HydrophobicContact CE1-CB 4.01Å; Y208-V277 HydrophobicContact CE1-CG1 3.71Å; Y208-V277 HydrophobicContact CG-CG1 4.32Å; Y208-D278 WeakPolarHBondContact CE1-OD1 3.39Å; Y208-D278 PolarHBondContact OH-OD1 2.73Å
209	P	96.6	Very high	89.3	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.006	25%	0.247	C	C	.	.	S	Bend	trans	-66.4	-23.3	-172.4	28	-38	0	0	0	113.2	Q146 I147 T222 E224 N225	Q146-P209 WeakPolarHBondContact CA-O 3.36Å; Q146-P209 WeakPolarHBondContact CG-O 3.44Å; I147-P209 PolarHBondContact N-O 2.67Å; P209-T222 HydrophobicContact CG-CG2 3.62Å; P209-E224 VanDerWaalsContact CG-O 3.3Å; P209-E224 WeakPolarHBondContact CG-O 3.39Å; P209-N225 HydrophobicContact CB-CB 4.18Å
210	R	95.7	Very high	88.6	Confident	23 Å²	23	47.9 Å²	47.9	9%	0.087	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	158.1	-171.9	-64.5	-179.9	-177.2	79.5	10.4	112	D101 R144 V145 Y208 D219	D101-R210 VanDerWaalsContact CG-NH2 3.28Å; D101-R210 IonicContact OD1-CZ 3.03Å; D101-R210 VanDerWaalsContact OD1-CZ 3.25Å; D101-R210 IonicContact OD1-NE 2.62Å; D101-R210 PolarHBondContact OD1-NE 3.48Å; D101-R210 IonicContact OD1-NH2 2.74Å; D101-R210 PolarHBondContact OD1-NH2 3.37Å; D101-R210 IonicContact OD2-CZ 3.32Å; D101-R210 IonicContact OD2-NE 3.94Å; D101-R210 IonicContact OD2-NH2 2.73Å; D101-R210 PolarHBondContact OD2-NH2 3.46Å; R144-R210 HydrophobicContact CG-CB 4.05Å; V145-R210 WeakPolarHBondContact O-CA 3.44Å; V145-R210 WeakPolarHBondContact O-CB 3.43Å; Y208-R210 PolarHBondContact O-N 3.29Å; R210-D219 HydrophobicContact CB-CB 4.49Å
211	F	95.2	Very high	88.5	Confident	1 Å²	1	49.4 Å²	49.4	0%	0.004	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	157.8	172.6	68.6	-69.6	0	0	0	110.4	R144 V145 I147 A150 L191 R194 M195 N197 A198 L213	R144-F211 WeakPolarHBondContact CA-O 3.43Å; V145-F211 HydrophobicContact CG2-CD1 4.22Å; V145-F211 HydrophobicContact CG2-CE1 3.59Å; V145-F211 HydrophobicContact CG2-CE2 4.46Å; V145-F211 HydrophobicContact CG2-CZ 3.73Å; V145-F211 PolarHBondContact N-O 3.4Å; V145-F211 PolarHBondContact O-N 3Å; I147-F211 HydrophobicContact CB-CD1 4.18Å; I147-F211 HydrophobicContact CB-CE1 4.33Å; I147-F211 HydrophobicContact CG1-CE1 4.49Å; A150-F211 HydrophobicContact CB-CE1 4.09Å; A150-F211 HydrophobicContact CB-CZ 4.12Å; L191-F211 HydrophobicContact CD1-CE2 4.49Å; L191-F211 HydrophobicContact CD1-CZ 4.19Å; R194-F211 HydrophobicContact CB-CD2 4.21Å; R194-F211 HydrophobicContact CB-CE2 3.81Å; R194-F211 WeakPolarHBondContact O-CD2 3.41Å; M195-F211 HydrophobicContact CB-CE2 4.42Å; M195-F211 HydrophobicContact CB-CZ 4.29Å; M195-F211 HydrophobicContact CE-CZ 4.33Å; M195-F211 HydrophobicContact CG-CE1 3.78Å; M195-F211 HydrophobicContact CG-CE2 3.84Å; M195-F211 HydrophobicContact CG-CZ 3.36Å; N197-F211 HydrophobicContact CB-CB 4.46Å; A198-F211 HydrophobicContact CB-CB 4.15Å; F211-L213 HydrophobicContact CE2-CD2 3.68Å; F211-L213 HydrophobicContact CZ-CD2 3.86Å
212	Y	94.8	Very high	88.8	Confident	62 Å²	62	45.3 Å²	45.3	24%	0.243	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	135.5	170.2	-71.7	-85.2	0	0	0	109.9	T143 R144 L217 D219	T143-Y212 WeakPolarHBondContact O-CA 3.05Å; R144-Y212 HydrophobicContact CB-CD1 3.85Å; R144-Y212 HydrophobicContact CB-CE1 3.66Å; R144-Y212 HydrophobicContact CB-CG 4.48Å; R144-Y212 HydrophobicContact CG-CE1 4.32Å; Y212-L217 HydrophobicContact CD2-CB 3.67Å; Y212-L217 HydrophobicContact CE2-CB 4.3Å; Y212-L217 HydrophobicContact CG-CB 3.97Å; Y212-D219 HydrophobicContact CE2-CB 4.23Å
213	L	94.4	Very high	88.9	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.27	C	S	.	.	S	Bend	trans	-65.1	-47.7	172.3	-69.9	-173.5	0	0	0	109.9	G104 Y106 F139 Q141 T143 V145 L191 R194 F211	G104-L213 WeakPolarHBondContact O-CD1 3.36Å; Y106-L213 HydrophobicContact CD1-CD1 3.61Å; Y106-L213 HydrophobicContact CE1-CD1 4.09Å; F139-L213 HydrophobicContact CD1-CD1 4.38Å; F139-L213 HydrophobicContact CD1-CD2 4.44Å; F139-L213 CarbonylContact O-C 3.59Å; F139-L213 WeakPolarHBondContact O-CB 3.47Å; Q141-L213 HydrophobicContact CB-CB 4.48Å; Q141-L213 HydrophobicContact CB-CD1 4.24Å; T143-L213 PolarHBondContact O-N 3.15Å; T143-L213 VanDerWaalsContact OG1-CD1 3.29Å; T143-L213 WeakPolarHBondContact OG1-CD1 3.34Å; V145-L213 HydrophobicContact CG1-CD1 4.5Å; V145-L213 HydrophobicContact CG2-CD2 3.87Å; V145-L213 HydrophobicContact CG2-CG 4.11Å; L191-L213 HydrophobicContact CD1-CD2 3.84Å; R194-L213 WeakPolarHBondContact CD-O 3.25Å; R194-L213 PolarHBondContact NH1-O 3.43Å; F211-L213 HydrophobicContact CE2-CD2 3.68Å; F211-L213 HydrophobicContact CZ-CD2 3.86Å
214	D	88	Confident	89	Confident	51 Å²	51	46.4 Å²	46.4	27%	0.273	26%	0.262	S	S	.	.	S	Bend	trans	-62	153.1	173.6	-159.1	5.7	0	0	0	112.7	Q141 G216	Q141-D214 WeakPolarHBondContact O-CB 3.28Å; Q141-D214 PolarHBondContact O-N 3.3Å; D214-G216 PolarHBondContact O-N 3.35Å
215	S	70.1	Confident	89	Confident	89 Å²	89	45.3 Å²	45.3	62%	0.622	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	135	-166.4	64.4	0	0	0	0	114.2	L217	S215-L217 VanDerWaalsContact C-N 3.3Å; S215-L217 PolarHBondContact O-N 3.23Å; S215-L217 VanDerWaalsContact O-N 3.14Å
216	G	65.8	Low	89.1	Confident	59 Å²	59	46 Å²	46	61%	0.608	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	-4.1	152.5	0	0	0	0	0	117.5	D214	D214-G216 PolarHBondContact O-N 3.35Å
217	L	74.2	Confident	89.1	Confident	103 Å²	103	45.9 Å²	45.9	54%	0.539	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-80.3	125.9	173.6	-64.2	179.1	0	0	0	110	Y212 S215	Y212-L217 HydrophobicContact CD2-CB 3.67Å; Y212-L217 HydrophobicContact CE2-CB 4.3Å; Y212-L217 HydrophobicContact CG-CB 3.97Å; S215-L217 VanDerWaalsContact C-N 3.3Å; S215-L217 PolarHBondContact O-N 3.23Å; S215-L217 VanDerWaalsContact O-N 3.14Å
218	K	77.3	Confident	89.2	Confident	102 Å²	102	46 Å²	46	44%	0.443	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-78.1	140.4	168.2	-67.1	-174.3	177.7	-176.4	0	109.8	D201	D201-K218 WeakPolarHBondContact OD2-CE 3.49Å; D201-K218 IonicContact OD2-NZ 2.98Å; D201-K218 PolarHBondContact OD2-NZ 3.28Å
219	D	83.5	Confident	89.2	Confident	9 Å²	9	44.1 Å²	44.1	5%	0.048	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-84.5	119.8	163.4	-173.6	75.8	0	0	0	109.2	R144 R210 Y212 T221	R144-D219 WeakPolarHBondContact CD-OD1 3.46Å; R144-D219 IonicContact NE-OD1 3.88Å; R144-D219 IonicContact NH1-OD1 3.66Å; R144-D219 PolarHBondContact NH1-OD1 2.74Å; R210-D219 HydrophobicContact CB-CB 4.49Å; Y212-D219 HydrophobicContact CE2-CB 4.23Å; D219-T221 VanDerWaalsContact CG-OG1 3.25Å; D219-T221 WeakPolarHBondContact OD1-CG2 3.18Å; D219-T221 PolarHBondContact OD1-OG1 3.25Å; D219-T221 VanDerWaalsContact OD1-OG1 3.04Å; D219-T221 PolarHBondContact OD2-N 3Å; D219-T221 VanDerWaalsContact OD2-N 3.1Å; D219-T221 PolarHBondContact OD2-OG1 3.43Å
220	N	78.3	Confident	89.3	Confident	141 Å²	141	44 Å²	44	75%	0.754	25%	0.25	S	C	*	.			trans	-113.1	24	176.2	-63.8	-2.6	0	0	0	110.7
221	T	85.2	Confident	89.4	Confident	76 Å²	76	43 Å²	43	47%	0.466	25%	0.246	S	C	.	.	S	Bend	trans	-87.3	-27.9	-170.9	63.7	0	0	0	0	113.5	R144 D219	R144-T221 PolarHBondContact NH1-OG1 2.68Å; D219-T221 VanDerWaalsContact CG-OG1 3.25Å; D219-T221 WeakPolarHBondContact OD1-CG2 3.18Å; D219-T221 PolarHBondContact OD1-OG1 3.25Å; D219-T221 VanDerWaalsContact OD1-OG1 3.04Å; D219-T221 PolarHBondContact OD2-N 3Å; D219-T221 VanDerWaalsContact OD2-N 3.1Å; D219-T221 PolarHBondContact OD2-OG1 3.43Å
222	T	92.3	Very high	89.5	Confident	36 Å²	36	43 Å²	43	22%	0.221	25%	0.246	C	C	.	.			trans	-158.5	146	174.4	176.8	0	0	0	0	111.1	P209 E224	P209-T222 HydrophobicContact CG-CG2 3.62Å; T222-E224 WeakPolarHBondContact OG1-CB 3.38Å; T222-E224 WeakPolarHBondContact OG1-CG 3.3Å; T222-E224 PolarHBondContact OG1-N 3.19Å
223	T	95.3	Very high	89.7	Confident	40 Å²	40	40.1 Å²	40.1	25%	0.245	24%	0.235	C	C	.	.			trans	-97.3	-2.2	171.3	56	0	0	0	0	111.5	Y208 D276 V277 D278	Y208-T223 HydrophobicContact CE1-CG2 4.1Å; T223-D276 WeakPolarHBondContact CB-OD1 3.43Å; T223-D276 PolarHBondContact OG1-OD1 3.28Å; T223-V277 WeakPolarHBondContact O-CB 3.36Å; T223-V277 VanDerWaalsContact O-CG2 3.26Å; T223-V277 WeakPolarHBondContact O-CG2 3.44Å; T223-V277 PolarHBondContact O-N 2.85Å; T223-D278 HydrophobicContact CG2-CB 4.47Å; T223-D278 WeakPolarHBondContact CG2-OD2 3.41Å
224	E	96.8	Very high	89.9	Confident	102 Å²	102	40.1 Å²	40.1	48%	0.477	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	115.7	-175.3	-47.5	-166.1	167.5	0	0	111	P209 T222 T274 I283	P209-E224 VanDerWaalsContact CG-O 3.3Å; P209-E224 WeakPolarHBondContact CG-O 3.39Å; T222-E224 WeakPolarHBondContact OG1-CB 3.38Å; T222-E224 WeakPolarHBondContact OG1-CG 3.3Å; T222-E224 PolarHBondContact OG1-N 3.19Å; E224-T274 HydrophobicContact CB-CG2 3.9Å; E224-I283 HydrophobicContact CB-CD1 4Å; E224-I283 HydrophobicContact CG-CD1 3.47Å; E224-I283 VanDerWaalsContact CG-CD1 3.47Å
225	N	97.4	Very high	90.4	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.011	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	145.3	173.5	-157.9	-8.5	0	0	0	110.5	P207 P209 A230 T274 I275 V277	P207-N225 PolarHBondContact O-ND2 3.46Å; P209-N225 HydrophobicContact CB-CB 4.18Å; N225-A230 HydrophobicContact CB-CB 4.49Å; N225-T274 CarbonylContact O-C 3.47Å; N225-T274 WeakPolarHBondContact O-CA 3.48Å; N225-I275 PolarHBondContact N-O 3.26Å; N225-I275 PolarHBondContact O-N 3.43Å; N225-V277 HydrophobicContact CB-CG2 3.97Å
226	C	98	Very high	91.7	Very high	28 Å²	28	33.4 Å²	33.4	19%	0.189	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	156.8	173.3	64.5	0	0	0	0	110.9	A228 G229 A230 S273	C226-A228 PolarHBondContact O-N 2.82Å; C226-G229 PolarHBondContact O-N 3.19Å; C226-G229 VanDerWaalsContact SG-CA 3.58Å; C226-G229 PolarHBondContact SG-N 2.93Å; C226-A230 WeakPolarHBondContact O-CB 3.48Å; C226-A230 PolarHBondContact O-N 2.98Å; C226-S273 CarbonylContact C-O 3.51Å; C226-S273 WeakPolarHBondContact CA-O 3.45Å; C226-S273 WeakPolarHBondContact CB-O 3.32Å
227	L	98.6	Very high	93.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-58.1	-47.9	-178.4	172.6	65.6	0	0	0	111.7	G231 L260 F271 S273 W282 G292 Q293 F296 F297	L227-G231 PolarHBondContact O-N 3Å; L227-L260 HydrophobicContact CD1-CD1 4.43Å; L227-L260 HydrophobicContact CD1-CD2 4.33Å; L227-F271 HydrophobicContact CD1-CB 4.36Å; L227-F271 HydrophobicContact CD1-CD1 4.11Å; L227-F271 HydrophobicContact CD1-CG 4.4Å; L227-F271 HydrophobicContact CD2-CB 3.59Å; L227-F271 HydrophobicContact CD2-CG 4.09Å; L227-S273 PolarHBondContact N-O 2.56Å; L227-W282 HydrophobicContact CB-CZ3 4.42Å; L227-W282 HydrophobicContact CD1-CH2 3.95Å; L227-G292 PolarHBondContact N-O 3.28Å; L227-G292 VanDerWaalsContact N-O 3.14Å; L227-Q293 HydrophobicContact CD2-CB 4.43Å; L227-F296 HydrophobicContact CD1-CB 4.33Å; L227-F296 HydrophobicContact CD1-CD1 3.92Å; L227-F296 HydrophobicContact CD1-CD2 3.79Å; L227-F296 HydrophobicContact CD1-CE1 4.14Å; L227-F296 HydrophobicContact CD1-CE2 4.02Å; L227-F296 HydrophobicContact CD1-CG 3.74Å; L227-F296 HydrophobicContact CD1-CZ 4.19Å; L227-F296 HydrophobicContact CD2-CB 4.16Å; L227-F296 HydrophobicContact CD2-CD1 3.77Å; L227-F296 HydrophobicContact CD2-CE1 4.41Å; L227-F296 HydrophobicContact CD2-CG 4.03Å; L227-F296 HydrophobicContact CG-CB 3.78Å; L227-F296 HydrophobicContact CG-CD1 3.95Å; L227-F296 HydrophobicContact CG-CD2 4.2Å; L227-F296 HydrophobicContact CG-CG 3.7Å; L227-F297 HydrophobicContact CD2-CZ 4.31Å
228	A	98.2	Very high	94.5	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.008	14%	0.137	C	C	.	.	H	α-helix	trans	-60.4	-47.2	174.4	0	0	0	0	0	111.3	F148 C226 A230 G231 S232 G292 D294 S295	F148-A228 HydrophobicContact CE2-CB 4.45Å; F148-A228 HydrophobicContact CZ-CB 4.43Å; C226-A228 PolarHBondContact O-N 2.82Å; A228-A230 VanDerWaalsContact C-N 3.29Å; A228-A230 PolarHBondContact O-N 2.93Å; A228-G231 PolarHBondContact O-N 2.68Å; A228-G231 VanDerWaalsContact O-N 3.15Å; A228-S232 VanDerWaalsContact O-CB 3.23Å; A228-S232 WeakPolarHBondContact O-CB 3.22Å; A228-S232 PolarHBondContact O-N 3.4Å; A228-S232 PolarHBondContact O-OG 3.42Å; A228-G292 VanDerWaalsContact CB-C 3.46Å; A228-G292 PolarHBondContact N-O 2.9Å; A228-D294 WeakPolarHBondContact CB-OD1 3.26Å; A228-S295 WeakPolarHBondContact CB-OG 3.38Å
229	G	97.6	Very high	95.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65.2	-31.5	-176.3	0	0	0	0	0	114.3	C226	C226-G229 PolarHBondContact O-N 3.19Å; C226-G229 VanDerWaalsContact SG-CA 3.58Å; C226-G229 PolarHBondContact SG-N 2.93Å
230	A	98	Very high	96.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-79.6	-37.8	172.8	0	0	0	0	0	112.9	I206 P207 N225 C226 A228 I256 L260	I206-A230 HydrophobicContact CG2-CB 3.8Å; P207-A230 HydrophobicContact CG-CB 4.34Å; N225-A230 HydrophobicContact CB-CB 4.49Å; C226-A230 WeakPolarHBondContact O-CB 3.48Å; C226-A230 PolarHBondContact O-N 2.98Å; A228-A230 VanDerWaalsContact C-N 3.29Å; A228-A230 PolarHBondContact O-N 2.93Å; A230-I256 WeakPolarHBondContact O-CG2 3.35Å; A230-L260 HydrophobicContact CB-CD1 3.97Å; A230-L260 HydrophobicContact CB-CD2 4.27Å
231	G	97.8	Very high	97.2	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-92.2	-24.1	-168.3	0	0	0	0	0	115.8	L227 A228 L233 I257	L227-G231 PolarHBondContact O-N 3Å; A228-G231 PolarHBondContact O-N 2.68Å; A228-G231 VanDerWaalsContact O-N 3.15Å; G231-L233 VanDerWaalsContact C-N 3.25Å; G231-L233 PolarHBondContact O-N 3.44Å; G231-I257 VanDerWaalsContact O-CD1 3.25Å; G231-I257 WeakPolarHBondContact O-CD1 3.46Å
232	S	98.5	Very high	97.8	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	46.4	-168.2	-57.5	0	0	0	0	113.6	F148 A228 S295 Y299	F148-S232 VanDerWaalsContact CE2-CB 3.5Å; A228-S232 VanDerWaalsContact O-CB 3.23Å; A228-S232 WeakPolarHBondContact O-CB 3.22Å; A228-S232 PolarHBondContact O-N 3.4Å; A228-S232 PolarHBondContact O-OG 3.42Å; S232-S295 WeakPolarHBondContact OG-CB 3.46Å; S232-S295 PolarHBondContact OG-O 3.37Å; S232-S295 PolarHBondContact OG-OG 3.15Å; S232-Y299 VanDerWaalsContact C-CE1 3.43Å; S232-Y299 VanDerWaalsContact CA-CD1 3.47Å; S232-Y299 VanDerWaalsContact O-CE1 3.27Å; S232-Y299 WeakPolarHBondContact O-CE1 3.39Å
233	L	98.5	Very high	98.1	Very high	2 Å²	2	9.9 Å²	9.9	1%	0.01	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-10.5	174.2	-51	178.9	0	0	0	112.7	I147 T151 P207 G231 L235 F237 A253 I256	I147-L233 HydrophobicContact CD1-CD1 3.8Å; I147-L233 HydrophobicContact CD1-CD2 4.28Å; I147-L233 HydrophobicContact CG1-CD1 4.48Å; I147-L233 HydrophobicContact CG1-CD2 4.08Å; T151-L233 HydrophobicContact CG2-CB 4.28Å; T151-L233 HydrophobicContact CG2-CD2 3.59Å; T151-L233 WeakPolarHBondContact OG1-CD2 3.47Å; P207-L233 HydrophobicContact CG-CD1 4.39Å; G231-L233 VanDerWaalsContact C-N 3.25Å; G231-L233 PolarHBondContact O-N 3.44Å; L233-L235 PolarHBondContact O-N 2.69Å; L233-F237 HydrophobicContact CB-CD1 4.3Å; L233-F237 HydrophobicContact CB-CG 4.4Å; L233-F237 VanDerWaalsContact O-CB 3.28Å; L233-F237 WeakPolarHBondContact O-CB 3.1Å; L233-F237 PolarHBondContact O-N 3.17Å; L233-A253 HydrophobicContact CB-CB 4.49Å; L233-I256 HydrophobicContact CD1-CD1 3.8Å
234	L	97.9	Very high	98.2	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-66.3	-42.5	-158.2	-168.8	61.3	0	0	0	114.2	G238 A253 I257 Y299 A303 L312 F525	L234-G238 PolarHBondContact O-N 2.67Å; L234-A253 HydrophobicContact CD1-CB 3.9Å; L234-I257 HydrophobicContact CD1-CG1 4.27Å; L234-I257 HydrophobicContact CD2-CG1 4.09Å; L234-Y299 HydrophobicContact CB-CD1 4.01Å; L234-A303 HydrophobicContact CD2-CB 3.35Å; L234-A303 HydrophobicContact CG-CB 3.88Å; L234-L312 HydrophobicContact CD2-CD1 3.78Å; L234-L312 HydrophobicContact CD2-CD2 4.42Å; L234-F525 HydrophobicContact CD1-CE1 3.7Å; L234-F525 HydrophobicContact CD1-CZ 3.83Å
235	L	98.8	Very high	98.3	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-71	-44.5	-177.4	-58.9	-177.1	0	0	0	111.1	L233 S239 Y299 K302 A303 L306 F307	L233-L235 PolarHBondContact O-N 2.69Å; L235-S239 WeakPolarHBondContact O-CB 3.33Å; L235-S239 PolarHBondContact O-N 3.1Å; L235-S239 PolarHBondContact O-OG 3.16Å; L235-Y299 HydrophobicContact CB-CE1 4.04Å; L235-Y299 HydrophobicContact CD1-CD1 4.37Å; L235-Y299 HydrophobicContact CD1-CD2 4.11Å; L235-Y299 HydrophobicContact CD1-CE1 4.1Å; L235-Y299 HydrophobicContact CD1-CE2 3.8Å; L235-Y299 HydrophobicContact CD1-CG 4.37Å; L235-Y299 HydrophobicContact CG-CD1 3.89Å; L235-Y299 HydrophobicContact CG-CD2 4.45Å; L235-Y299 HydrophobicContact CG-CE1 3.8Å; L235-Y299 HydrophobicContact CG-CE2 4.35Å; L235-Y299 HydrophobicContact CG-CG 4.22Å; L235-K302 HydrophobicContact CD1-CB 3.92Å; L235-K302 HydrophobicContact CD1-CD 4.27Å; L235-K302 HydrophobicContact CD2-CB 4.12Å; L235-A303 HydrophobicContact CD2-CB 3.97Å; L235-L306 HydrophobicContact CB-CD2 4.32Å; L235-L306 HydrophobicContact CD2-CB 4.35Å; L235-L306 HydrophobicContact CD2-CD2 3.85Å; L235-F307 HydrophobicContact CD2-CE2 4.12Å
236	E	98.9	Very high	98.3	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-72.6	-47.8	-176.4	-64.5	75.5	-163.8	0	0	110.9	T151 L155 L159 G238 S239 L240 Y299 S502 F508	T151-E236 HydrophobicContact CG2-CB 3.83Å; T151-E236 HydrophobicContact CG2-CG 4.04Å; L155-E236 HydrophobicContact CD2-CB 3.79Å; L155-E236 HydrophobicContact CG-CB 3.98Å; L159-E236 HydrophobicContact CD1-CB 4.06Å; L159-E236 VanDerWaalsContact CD1-O 3.25Å; L159-E236 WeakPolarHBondContact CD1-O 3.48Å; E236-G238 VanDerWaalsContact C-N 3.33Å; E236-G238 PolarHBondContact O-N 3.49Å; E236-S239 PolarHBondContact O-N 2.99Å; E236-L240 VanDerWaalsContact O-CB 3.27Å; E236-L240 WeakPolarHBondContact O-CB 3.4Å; E236-L240 PolarHBondContact O-N 2.88Å; E236-Y299 PolarHBondContact OE1-OH 3.02Å; E236-Y299 VanDerWaalsContact OE2-CE1 3.32Å; E236-Y299 WeakPolarHBondContact OE2-CE1 3.49Å; E236-Y299 PolarHBondContact OE2-OH 3.28Å; E236-S502 WeakPolarHBondContact OE1-CB 3.5Å; E236-F508 HydrophobicContact CG-CZ 4.4Å
237	F	98.8	Very high	98.2	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-66	-38.7	177.3	-84.4	36.8	0	0	0	111.3	T151 L155 M195 L196 L233 S241 Y249 I252 A253	T151-F237 HydrophobicContact CG2-CD1 4.39Å; T151-F237 HydrophobicContact CG2-CE1 4.33Å; L155-F237 HydrophobicContact CD2-CD1 3.66Å; L155-F237 HydrophobicContact CD2-CE1 3.68Å; M195-F237 HydrophobicContact CB-CZ 4.2Å; M195-F237 HydrophobicContact SD-CE1 3.85Å; M195-F237 HydrophobicContact SD-CZ 4.14Å; L196-F237 HydrophobicContact CD2-CE2 4.4Å; L233-F237 HydrophobicContact CB-CD1 4.3Å; L233-F237 HydrophobicContact CB-CG 4.4Å; L233-F237 VanDerWaalsContact O-CB 3.28Å; L233-F237 WeakPolarHBondContact O-CB 3.1Å; L233-F237 PolarHBondContact O-N 3.17Å; F237-S241 WeakPolarHBondContact O-CB 3.47Å; F237-S241 PolarHBondContact O-N 3.35Å; F237-S241 PolarHBondContact O-OG 2.78Å; F237-Y249 HydrophobicContact CD2-CD1 4.24Å; F237-Y249 HydrophobicContact CE2-CD1 4.23Å; F237-Y249 WeakPolarHBondContact O-CB 3.43Å; F237-I252 HydrophobicContact CD2-CG2 4.45Å; F237-I252 HydrophobicContact CE2-CG2 4.3Å; F237-A253 HydrophobicContact CB-CB 3.77Å; F237-A253 HydrophobicContact CD2-CB 4.18Å; F237-A253 HydrophobicContact CG-CB 4.28Å
238	G	98.5	Very high	98.1	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-63.3	-45.5	175.2	0	0	0	0	0	112.6	L234 E236 S241 A242	L234-G238 PolarHBondContact O-N 2.67Å; E236-G238 VanDerWaalsContact C-N 3.33Å; E236-G238 PolarHBondContact O-N 3.49Å; G238-S241 WeakPolarHBondContact O-CB 3.44Å; G238-S241 PolarHBondContact O-N 2.96Å; G238-A242 PolarHBondContact O-N 3.46Å
239	S	98.7	Very high	98.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-69.1	-38.6	178.6	-60.1	0	0	0	0	112.5	L235 E236 A242 L243 F508	L235-S239 WeakPolarHBondContact O-CB 3.33Å; L235-S239 PolarHBondContact O-N 3.1Å; L235-S239 PolarHBondContact O-OG 3.16Å; E236-S239 PolarHBondContact O-N 2.99Å; S239-A242 WeakPolarHBondContact O-CB 3.35Å; S239-A242 PolarHBondContact O-N 3.16Å; S239-L243 WeakPolarHBondContact O-CG 2.97Å; S239-L243 PolarHBondContact O-N 2.87Å; S239-F508 WeakPolarHBondContact OG-CD1 3.31Å; S239-F508 WeakPolarHBondContact OG-CE1 3.36Å
240	L	98.8	Very high	98.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-58.4	-48.4	172.2	178.2	67.5	0	0	0	110.9	L159 L185 A188 H189 A192 E236 A242 L243 L244 Y249	L159-L240 HydrophobicContact CD1-CB 4.18Å; L159-L240 HydrophobicContact CD2-CB 4.1Å; L159-L240 HydrophobicContact CD2-CD1 3.89Å; L185-L240 HydrophobicContact CD1-CD1 3.92Å; A188-L240 HydrophobicContact CB-CD1 4.16Å; H189-L240 HydrophobicContact CB-CD1 4.44Å; A192-L240 HydrophobicContact CB-CD2 3.28Å; E236-L240 VanDerWaalsContact O-CB 3.27Å; E236-L240 WeakPolarHBondContact O-CB 3.4Å; E236-L240 PolarHBondContact O-N 2.88Å; L240-A242 VanDerWaalsContact C-N 3.29Å; L240-A242 PolarHBondContact O-N 3.42Å; L240-L243 PolarHBondContact O-N 2.89Å; L240-L244 HydrophobicContact CD1-CD1 3.68Å; L240-L244 HydrophobicContact CD1-CG 3.93Å; L240-L244 HydrophobicContact CD2-CD1 4.38Å; L240-L244 HydrophobicContact CG-CD1 3.77Å; L240-L244 HydrophobicContact CG-CG 4.28Å; L240-L244 WeakPolarHBondContact O-CB 3.28Å; L240-L244 WeakPolarHBondContact O-CG 3.47Å; L240-L244 PolarHBondContact O-N 2.92Å; L240-Y249 HydrophobicContact CD2-CD1 4.05Å; L240-Y249 HydrophobicContact CD2-CD2 3.72Å; L240-Y249 HydrophobicContact CD2-CE1 4.25Å; L240-Y249 HydrophobicContact CD2-CE2 3.92Å; L240-Y249 HydrophobicContact CD2-CG 3.8Å; L240-Y249 HydrophobicContact CG-CD2 4.12Å; L240-Y249 HydrophobicContact CG-CE2 4.44Å
241	S	98.7	Very high	98.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-57.1	-42.3	175.6	-88.3	0	0	0	0	112.9	F237 G238 L243 N245 D246 Y249 A250	F237-S241 WeakPolarHBondContact O-CB 3.47Å; F237-S241 PolarHBondContact O-N 3.35Å; F237-S241 PolarHBondContact O-OG 2.78Å; G238-S241 WeakPolarHBondContact O-CB 3.44Å; G238-S241 PolarHBondContact O-N 2.96Å; S241-L243 PolarHBondContact O-N 3.33Å; S241-N245 PolarHBondContact O-N 3.3Å; S241-N245 VanDerWaalsContact O-N 3.09Å; S241-D246 WeakPolarHBondContact CA-O 3.38Å; S241-D246 WeakPolarHBondContact CB-O 3.34Å; S241-D246 PolarHBondContact O-N 3.47Å; S241-D246 VanDerWaalsContact O-N 3.16Å; S241-D246 PolarHBondContact OG-O 3.09Å; S241-Y249 PolarHBondContact OG-N 2.88Å; S241-A250 PolarHBondContact OG-N 3.4Å
242	A	98.1	Very high	98.1	Very high	3 Å²	3	19.2 Å²	19.2	3%	0.025	11%	0.112	C	C	.	.	H	α-helix	trans	-60.7	-44	176.9	0	0	0	0	0	111.9	G238 S239 L240 I513 L516 M517	G238-A242 PolarHBondContact O-N 3.46Å; S239-A242 WeakPolarHBondContact O-CB 3.35Å; S239-A242 PolarHBondContact O-N 3.16Å; L240-A242 VanDerWaalsContact C-N 3.29Å; L240-A242 PolarHBondContact O-N 3.42Å; A242-I513 HydrophobicContact CB-CD1 4.28Å; A242-I513 HydrophobicContact CB-CG2 4.42Å; A242-L516 HydrophobicContact CB-CB 3.83Å; A242-L516 HydrophobicContact CB-CD1 4.33Å; A242-M517 HydrophobicContact CB-CG 3.9Å; A242-M517 HydrophobicContact CB-SD 3.63Å
243	L	98.4	Very high	98.1	Very high	29 Å²	29	19.3 Å²	19.3	15%	0.152	11%	0.113	C	C	.	.	H	α-helix	trans	-73.9	-36	-178.4	-68.5	164.4	0	0	0	113	L159 I163 L185 S239 L240 S241 N245 L516	L159-L243 HydrophobicContact CD2-CD1 3.75Å; I163-L243 HydrophobicContact CD1-CD1 4.09Å; I163-L243 HydrophobicContact CG1-CD1 3.91Å; I163-L243 HydrophobicContact CG1-CD2 4.18Å; L185-L243 HydrophobicContact CD1-CB 3.85Å; L185-L243 HydrophobicContact CD1-CD1 4.17Å; L185-L243 HydrophobicContact CD2-CB 4.25Å; S239-L243 WeakPolarHBondContact O-CG 2.97Å; S239-L243 PolarHBondContact O-N 2.87Å; L240-L243 PolarHBondContact O-N 2.89Å; S241-L243 PolarHBondContact O-N 3.33Å; L243-N245 VanDerWaalsContact C-N 3.33Å; L243-L516 HydrophobicContact CD2-CD1 3.95Å
244	L	98.2	Very high	98.1	Very high	45 Å²	45	20.5 Å²	20.5	24%	0.236	12%	0.117	C	C	.	.	H	α-helix	trans	-80.6	-12	178.6	-68	-179.5	0	0	0	113.9	L185 H189 L240 D246 Y249	L185-L244 HydrophobicContact CD1-CD2 4.07Å; L185-L244 HydrophobicContact CD1-CG 4.41Å; L185-L244 HydrophobicContact CD2-CD2 4.14Å; L185-L244 HydrophobicContact CG-CD2 4.01Å; H189-L244 HydrophobicContact CB-CD1 4.12Å; H189-L244 HydrophobicContact CB-CD2 4.33Å; L240-L244 HydrophobicContact CD1-CD1 3.68Å; L240-L244 HydrophobicContact CD1-CG 3.93Å; L240-L244 HydrophobicContact CD2-CD1 4.38Å; L240-L244 HydrophobicContact CG-CD1 3.77Å; L240-L244 HydrophobicContact CG-CG 4.28Å; L240-L244 WeakPolarHBondContact O-CB 3.28Å; L240-L244 WeakPolarHBondContact O-CG 3.47Å; L240-L244 PolarHBondContact O-N 2.92Å; L244-D246 HydrophobicContact CB-CB 4.23Å; L244-D246 PolarHBondContact O-N 3.47Å; L244-Y249 HydrophobicContact CD1-CD2 4.37Å; L244-Y249 HydrophobicContact CD1-CE2 3.84Å
245	N	97.5	Very high	98	Very high	111 Å²	111	26.1 Å²	26.1	59%	0.594	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	37.2	-166.8	-168.9	38.6	0	0	0	112.5	S241 L243 L520	S241-N245 PolarHBondContact O-N 3.3Å; S241-N245 VanDerWaalsContact O-N 3.09Å; L243-N245 VanDerWaalsContact C-N 3.33Å; N245-L520 VanDerWaalsContact C-CD2 3.46Å; N245-L520 VanDerWaalsContact CA-CD2 3.49Å; N245-L520 HydrophobicContact CB-CD2 4.44Å; N245-L520 WeakPolarHBondContact OD1-CD2 3.4Å
246	D	97.3	Very high	98	Very high	61 Å²	61	26.2 Å²	26.2	33%	0.326	14%	0.139	S	C	.	.			trans	-133.9	115	179.4	177.4	-0.2	0	0	0	110.4	S241 L244 S248	S241-D246 WeakPolarHBondContact CA-O 3.38Å; S241-D246 WeakPolarHBondContact CB-O 3.34Å; S241-D246 PolarHBondContact O-N 3.47Å; S241-D246 VanDerWaalsContact O-N 3.16Å; S241-D246 PolarHBondContact OG-O 3.09Å; L244-D246 HydrophobicContact CB-CB 4.23Å; L244-D246 PolarHBondContact O-N 3.47Å; D246-S248 PolarHBondContact O-N 3Å; D246-S248 VanDerWaalsContact OD1-CB 3.26Å; D246-S248 WeakPolarHBondContact OD1-CB 3.45Å; D246-S248 PolarHBondContact OD1-N 2.91Å; D246-S248 PolarHBondContact OD1-OG 3.4Å
247	S	97.2	Very high	98	Very high	29 Å²	29	26.2 Å²	26.2	20%	0.203	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-5.2	-176.6	69.3	0	0	0	0	116	Y249 A250 S251 M522	S247-Y249 PolarHBondContact O-N 2.84Å; S247-A250 PolarHBondContact O-N 3.02Å; S247-S251 VanDerWaalsContact O-CB 3.28Å; S247-S251 WeakPolarHBondContact O-CB 3.33Å; S247-S251 PolarHBondContact O-N 3.37Å; S247-S251 PolarHBondContact O-OG 3.16Å; S247-M522 WeakPolarHBondContact CB-O 3.41Å
248	S	96.7	Very high	97.9	Very high	56 Å²	56	28 Å²	28	39%	0.392	15%	0.148	S	C	.	.	H	α-helix	trans	-58.8	-50.2	-168.9	-62	0	0	0	0	112.8	D246 S251 I252	D246-S248 PolarHBondContact O-N 3Å; D246-S248 VanDerWaalsContact OD1-CB 3.26Å; D246-S248 WeakPolarHBondContact OD1-CB 3.45Å; D246-S248 PolarHBondContact OD1-N 2.91Å; D246-S248 PolarHBondContact OD1-OG 3.4Å; S248-S251 PolarHBondContact O-N 2.89Å; S248-I252 WeakPolarHBondContact O-CB 3.44Å; S248-I252 WeakPolarHBondContact O-CD1 3.4Å; S248-I252 WeakPolarHBondContact O-CG1 3.38Å; S248-I252 PolarHBondContact O-N 3.41Å
249	Y	98.4	Very high	97.9	Very high	5 Å²	5	29.4 Å²	29.4	2%	0.02	16%	0.156	C	C	.	.	H	α-helix	trans	-66.9	-47.5	-179.1	-55.6	-79.6	0	0	0	112.2	H189 A192 N193 L196 F237 L240 S241 L244 S247 S251 I252 A253	H189-Y249 AromaticContact CD2-CZ 3.9Å; H189-Y249 PolarHBondContact CD2-OH 2.83Å; H189-Y249 PolarHBondContact NE2-OH 3.42Å; A192-Y249 HydrophobicContact CB-CD1 3.94Å; A192-Y249 HydrophobicContact CB-CE1 3.62Å; N193-Y249 PolarHBondContact ND2-OH 2.96Å; N193-Y249 PolarHBondContact OD1-OH 3.25Å; L196-Y249 HydrophobicContact CD1-CE1 4.26Å; L196-Y249 HydrophobicContact CD2-CD1 4.41Å; L196-Y249 HydrophobicContact CD2-CE1 4.36Å; L196-Y249 HydrophobicContact CG-CE1 4.45Å; F237-Y249 HydrophobicContact CD2-CD1 4.24Å; F237-Y249 HydrophobicContact CE2-CD1 4.23Å; F237-Y249 WeakPolarHBondContact O-CB 3.43Å; L240-Y249 HydrophobicContact CD2-CD1 4.05Å; L240-Y249 HydrophobicContact CD2-CD2 3.72Å; L240-Y249 HydrophobicContact CD2-CE1 4.25Å; L240-Y249 HydrophobicContact CD2-CE2 3.92Å; L240-Y249 HydrophobicContact CD2-CG 3.8Å; L240-Y249 HydrophobicContact CG-CD2 4.12Å; L240-Y249 HydrophobicContact CG-CE2 4.44Å; S241-Y249 PolarHBondContact OG-N 2.88Å; L244-Y249 HydrophobicContact CD1-CD2 4.37Å; L244-Y249 HydrophobicContact CD1-CE2 3.84Å; S247-Y249 PolarHBondContact O-N 2.84Å; Y249-S251 VanDerWaalsContact C-N 3.28Å; Y249-S251 PolarHBondContact O-N 3.45Å; Y249-I252 WeakPolarHBondContact O-CB 3.33Å; Y249-I252 PolarHBondContact O-N 3.5Å; Y249-I252 VanDerWaalsContact O-N 3.16Å; Y249-A253 PolarHBondContact O-N 2.91Å
250	A	98.1	Very high	97.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-55.7	-43.1	174.8	0	0	0	0	0	112.1	S241 S247 A253 R254 M517 P524 F525	S241-A250 PolarHBondContact OG-N 3.4Å; S247-A250 PolarHBondContact O-N 3.02Å; A250-A253 PolarHBondContact O-N 3.45Å; A250-R254 WeakPolarHBondContact O-CB 2.95Å; A250-R254 PolarHBondContact O-N 3.23Å; A250-M517 HydrophobicContact CB-CE 4.5Å; A250-P524 HydrophobicContact CB-CG 3.47Å; A250-P524 VanDerWaalsContact CB-CG 3.47Å; A250-F525 HydrophobicContact CB-CE2 3.76Å; A250-F525 HydrophobicContact CB-CZ 3.89Å
251	S	97.3	Very high	97.8	Very high	39 Å²	39	29.5 Å²	29.5	27%	0.273	16%	0.156	S	C	.	.	H	α-helix	trans	-67.2	-38.5	179.2	-60.2	0	0	0	0	112	S247 S248 Y249 R255	S247-S251 VanDerWaalsContact O-CB 3.28Å; S247-S251 WeakPolarHBondContact O-CB 3.33Å; S247-S251 PolarHBondContact O-N 3.37Å; S247-S251 PolarHBondContact O-OG 3.16Å; S248-S251 PolarHBondContact O-N 2.89Å; Y249-S251 VanDerWaalsContact C-N 3.28Å; Y249-S251 PolarHBondContact O-N 3.45Å; S251-R255 WeakPolarHBondContact O-CB 3.41Å; S251-R255 PolarHBondContact O-N 2.77Å
252	I	97.3	Very high	97.7	Very high	23 Å²	23	35.2 Å²	35.2	12%	0.118	18%	0.181	C	C	.	.	H	α-helix	trans	-63.3	-52.6	174.6	-73.7	165	0	0	0	110.2	L196 L199 F237 S248 Y249 R254 R255 I256	L196-I252 HydrophobicContact CD2-CD1 3.72Å; L199-I252 HydrophobicContact CD1-CG2 3.37Å; F237-I252 HydrophobicContact CD2-CG2 4.45Å; F237-I252 HydrophobicContact CE2-CG2 4.3Å; S248-I252 WeakPolarHBondContact O-CB 3.44Å; S248-I252 WeakPolarHBondContact O-CD1 3.4Å; S248-I252 WeakPolarHBondContact O-CG1 3.38Å; S248-I252 PolarHBondContact O-N 3.41Å; Y249-I252 WeakPolarHBondContact O-CB 3.33Å; Y249-I252 PolarHBondContact O-N 3.5Å; Y249-I252 VanDerWaalsContact O-N 3.16Å; I252-R254 PolarHBondContact O-N 3.14Å; I252-R255 WeakPolarHBondContact O-CB 3.4Å; I252-R255 PolarHBondContact O-N 3.24Å; I252-R255 VanDerWaalsContact O-N 3.12Å; I252-I256 HydrophobicContact CG2-CD1 4.02Å; I252-I256 WeakPolarHBondContact O-CG1 3.49Å; I252-I256 PolarHBondContact O-N 2.97Å
253	A	98.2	Very high	97.7	Very high	3 Å²	3	38 Å²	38	3%	0.025	19%	0.193	C	C	.	.	H	α-helix	trans	-61.1	-44.1	-178.8	0	0	0	0	0	111.8	L233 L234 F237 Y249 A250 R255 I256 I257	L233-A253 HydrophobicContact CB-CB 4.49Å; L234-A253 HydrophobicContact CD1-CB 3.9Å; F237-A253 HydrophobicContact CB-CB 3.77Å; F237-A253 HydrophobicContact CD2-CB 4.18Å; F237-A253 HydrophobicContact CG-CB 4.28Å; Y249-A253 PolarHBondContact O-N 2.91Å; A250-A253 PolarHBondContact O-N 3.45Å; A253-R255 VanDerWaalsContact C-N 3.33Å; A253-R255 PolarHBondContact O-N 3.28Å; A253-I256 PolarHBondContact O-N 3.35Å; A253-I257 WeakPolarHBondContact O-CG1 3.28Å; A253-I257 PolarHBondContact O-N 3.1Å; A253-I257 VanDerWaalsContact O-N 3.15Å
254	R	97.5	Very high	97.6	Very high	26 Å²	26	37.9 Å²	37.9	10%	0.098	19%	0.19	C	C	.	.	H	α-helix	trans	-56.8	-45.9	172.9	-179.2	174.7	-165.2	80.1	-14.9	112	A250 I252 I256 I257 L258 D309 E311 P524 F525	A250-R254 WeakPolarHBondContact O-CB 2.95Å; A250-R254 PolarHBondContact O-N 3.23Å; I252-R254 PolarHBondContact O-N 3.14Å; R254-I256 VanDerWaalsContact C-N 3.3Å; R254-I256 PolarHBondContact O-N 3.42Å; R254-I257 WeakPolarHBondContact O-CB 2.9Å; R254-I257 PolarHBondContact O-N 3.45Å; R254-L258 HydrophobicContact CG-CD1 4.04Å; R254-L258 HydrophobicContact CG-CG 4.3Å; R254-L258 WeakPolarHBondContact O-CG 3.28Å; R254-L258 PolarHBondContact O-N 2.75Å; R254-D309 IonicContact CZ-OD2 3.37Å; R254-D309 VanDerWaalsContact CZ-OD2 3.28Å; R254-D309 IonicContact NH1-OD1 3.32Å; R254-D309 IonicContact NH1-OD2 2.68Å; R254-D309 PolarHBondContact NH1-OD2 3.07Å; R254-D309 IonicContact NH2-OD1 2.74Å; R254-D309 PolarHBondContact NH2-OD1 3.24Å; R254-D309 IonicContact NH2-OD2 3.43Å; R254-D309 PolarHBondContact NH2-OD2 3.28Å; R254-E311 IonicContact CZ-OE2 3.1Å; R254-E311 IonicContact NH2-OE2 3.7Å; R254-E311 PolarHBondContact NH2-OE2 3.02Å; R254-P524 WeakPolarHBondContact CD-O 3.38Å; R254-P524 PolarHBondContact NE-O 3.32Å; R254-P524 VanDerWaalsContact NE-O 3.16Å; R254-F525 HydrophobicContact CB-CE1 4.09Å
255	R	96.8	Very high	97.6	Very high	118 Å²	118	35.8 Å²	35.8	45%	0.445	18%	0.179	S	C	.	.	H	α-helix	trans	-61.8	-39.5	-179	-177.7	174.7	63.6	-118.1	3.1	111.7	S251 I252 A253 L258 N259	S251-R255 WeakPolarHBondContact O-CB 3.41Å; S251-R255 PolarHBondContact O-N 2.77Å; I252-R255 WeakPolarHBondContact O-CB 3.4Å; I252-R255 PolarHBondContact O-N 3.24Å; I252-R255 VanDerWaalsContact O-N 3.12Å; A253-R255 VanDerWaalsContact C-N 3.33Å; A253-R255 PolarHBondContact O-N 3.28Å; R255-L258 PolarHBondContact O-N 3.38Å; R255-N259 WeakPolarHBondContact O-CB 3.45Å; R255-N259 VanDerWaalsContact O-CG 3.26Å; R255-N259 PolarHBondContact O-N 3.16Å; R255-N259 PolarHBondContact O-ND2 3.13Å
256	I	98.3	Very high	97.4	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-59.7	-48.7	175.6	-64.3	162.9	0	0	0	110.2	L199 G205 P207 A230 L233 I252 A253 R254 L258 N259 L260	L199-I256 HydrophobicContact CD1-CD1 4.16Å; L199-I256 HydrophobicContact CD2-CD1 3.74Å; L199-I256 HydrophobicContact CD2-CG1 4.05Å; G205-I256 WeakPolarHBondContact O-CG1 3.4Å; P207-I256 HydrophobicContact CG-CD1 4.31Å; A230-I256 WeakPolarHBondContact O-CG2 3.35Å; L233-I256 HydrophobicContact CD1-CD1 3.8Å; I252-I256 HydrophobicContact CG2-CD1 4.02Å; I252-I256 WeakPolarHBondContact O-CG1 3.49Å; I252-I256 PolarHBondContact O-N 2.97Å; A253-I256 PolarHBondContact O-N 3.35Å; R254-I256 VanDerWaalsContact C-N 3.3Å; R254-I256 PolarHBondContact O-N 3.42Å; I256-L258 PolarHBondContact O-N 3.24Å; I256-N259 PolarHBondContact O-N 3.36Å; I256-N259 VanDerWaalsContact O-N 3.13Å; I256-L260 HydrophobicContact CG2-CD1 4.04Å; I256-L260 PolarHBondContact O-N 3.19Å
257	I	98.3	Very high	97.1	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-58.2	-46.6	177	-66	-64.1	0	0	0	111.7	G231 L234 A253 R254 N259 L260 W261 F296 L300 L312 M315	G231-I257 VanDerWaalsContact O-CD1 3.25Å; G231-I257 WeakPolarHBondContact O-CD1 3.46Å; L234-I257 HydrophobicContact CD1-CG1 4.27Å; L234-I257 HydrophobicContact CD2-CG1 4.09Å; A253-I257 WeakPolarHBondContact O-CG1 3.28Å; A253-I257 PolarHBondContact O-N 3.1Å; A253-I257 VanDerWaalsContact O-N 3.15Å; R254-I257 WeakPolarHBondContact O-CB 2.9Å; R254-I257 PolarHBondContact O-N 3.45Å; I257-N259 VanDerWaalsContact C-N 3.28Å; I257-N259 PolarHBondContact O-N 2.61Å; I257-L260 PolarHBondContact O-N 3.22Å; I257-W261 VanDerWaalsContact O-CB 3.25Å; I257-W261 WeakPolarHBondContact O-CB 3.17Å; I257-W261 PolarHBondContact O-N 3.11Å; I257-F296 HydrophobicContact CD1-CD2 4.21Å; I257-F296 HydrophobicContact CD1-CE2 3.89Å; I257-L300 HydrophobicContact CG2-CD2 3.69Å; I257-L312 HydrophobicContact CG2-CD2 3.83Å; I257-M315 HydrophobicContact CG2-CE 3.4Å; I257-M315 VanDerWaalsContact CG2-CE 3.4Å
258	L	97.6	Very high	97	Very high	37 Å²	37	33.1 Å²	33.1	19%	0.194	17%	0.171	C	C	.	.	H	α-helix	trans	-64.6	-32.8	177.9	-67	176.3	0	0	0	112.6	R254 R255 I256 K262 M315	R254-L258 HydrophobicContact CG-CD1 4.04Å; R254-L258 HydrophobicContact CG-CG 4.3Å; R254-L258 WeakPolarHBondContact O-CG 3.28Å; R254-L258 PolarHBondContact O-N 2.75Å; R255-L258 PolarHBondContact O-N 3.38Å; I256-L258 PolarHBondContact O-N 3.24Å; L258-K262 WeakPolarHBondContact O-CG 3.29Å; L258-K262 PolarHBondContact O-N 3.14Å; L258-M315 HydrophobicContact CD2-SD 4.22Å
259	N	98	Very high	96.9	Very high	29 Å²	29	30.6 Å²	30.6	16%	0.155	16%	0.155	C	C	.	.	H	α-helix	trans	-73	-42	176.1	-73.1	-21.5	0	0	0	111.8	T204 I206 R255 I256 I257 W261 K262 K263	T204-N259 PolarHBondContact O-ND2 3.25Å; I206-N259 HydrophobicContact CG1-CB 4.25Å; R255-N259 WeakPolarHBondContact O-CB 3.45Å; R255-N259 VanDerWaalsContact O-CG 3.26Å; R255-N259 PolarHBondContact O-N 3.16Å; R255-N259 PolarHBondContact O-ND2 3.13Å; I256-N259 PolarHBondContact O-N 3.36Å; I256-N259 VanDerWaalsContact O-N 3.13Å; I257-N259 VanDerWaalsContact C-N 3.28Å; I257-N259 PolarHBondContact O-N 2.61Å; N259-W261 VanDerWaalsContact C-N 3.35Å; N259-K262 PolarHBondContact O-N 3.4Å; N259-K263 WeakPolarHBondContact O-CG 3.49Å
260	L	98.4	Very high	96.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.7	-43.1	170.9	-72.6	168.1	0	0	0	111.3	I206 L227 A230 I256 I257 K262 K263 F271 I275 F296	I206-L260 HydrophobicContact CD1-CD2 3.77Å; I206-L260 HydrophobicContact CD1-CG 4.29Å; I206-L260 HydrophobicContact CG1-CD2 4.3Å; I206-L260 HydrophobicContact CG1-CG 4.41Å; I206-L260 HydrophobicContact CG2-CD2 4.36Å; L227-L260 HydrophobicContact CD1-CD1 4.43Å; L227-L260 HydrophobicContact CD1-CD2 4.33Å; A230-L260 HydrophobicContact CB-CD1 3.97Å; A230-L260 HydrophobicContact CB-CD2 4.27Å; I256-L260 HydrophobicContact CG2-CD1 4.04Å; I256-L260 PolarHBondContact O-N 3.19Å; I257-L260 PolarHBondContact O-N 3.22Å; L260-K262 VanDerWaalsContact C-N 3.25Å; L260-K262 PolarHBondContact O-N 2.98Å; L260-K263 WeakPolarHBondContact O-CA 3.37Å; L260-K263 WeakPolarHBondContact O-CB 3.41Å; L260-K263 PolarHBondContact O-N 3.33Å; L260-F271 WeakPolarHBondContact O-CE1 3.41Å; L260-I275 HydrophobicContact CD2-CD1 4.43Å; L260-I275 HydrophobicContact CD2-CG2 4.47Å; L260-F296 HydrophobicContact CB-CE2 4.33Å; L260-F296 HydrophobicContact CD1-CD2 4.46Å; L260-F296 HydrophobicContact CD1-CE2 4.15Å
261	W	98	Very high	96.9	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.008	16%	0.155	C	C	.	.	H	α-helix	trans	-54.8	-41.2	178.7	-168.5	-119.6	0	0	0	111.8	I257 N259 K263 R264 F271 L300 M315 E318 A319	I257-W261 VanDerWaalsContact O-CB 3.25Å; I257-W261 WeakPolarHBondContact O-CB 3.17Å; I257-W261 PolarHBondContact O-N 3.11Å; N259-W261 VanDerWaalsContact C-N 3.35Å; W261-K263 PolarHBondContact O-N 3.18Å; W261-R264 VanDerWaalsContact CD2-NH1 3.31Å; W261-R264 VanDerWaalsContact NE1-CZ 3.29Å; W261-R264 VanDerWaalsContact O-CG 3.26Å; W261-R264 WeakPolarHBondContact O-CG 3.48Å; W261-R264 PolarHBondContact O-N 3.41Å; W261-R264 PolarHBondContact O-NH1 3.34Å; W261-F271 HydrophobicContact CD2-CZ 4.44Å; W261-F271 HydrophobicContact CE3-CE1 4.37Å; W261-F271 HydrophobicContact CE3-CE2 4.39Å; W261-F271 AromaticContact CE3-CZ 3.53Å; W261-F271 HydrophobicContact CE3-CZ 3.53Å; W261-F271 HydrophobicContact CZ3-CE2 4.16Å; W261-F271 AromaticContact CZ3-CZ 3.74Å; W261-F271 HydrophobicContact CZ3-CZ 3.74Å; W261-L300 HydrophobicContact CZ3-CD1 4.2Å; W261-M315 HydrophobicContact CB-CE 3.76Å; W261-M315 HydrophobicContact CD2-CB 4.27Å; W261-M315 HydrophobicContact CD2-CE 3.43Å; W261-M315 VanDerWaalsContact CD2-CE 3.43Å; W261-M315 HydrophobicContact CD2-CG 3.91Å; W261-M315 HydrophobicContact CD2-SD 4.23Å; W261-M315 HydrophobicContact CE3-CB 4.08Å; W261-M315 HydrophobicContact CE3-CE 3.51Å; W261-M315 HydrophobicContact CE3-CG 4.24Å; W261-M315 HydrophobicContact CG-CE 3.52Å; W261-M315 HydrophobicContact CG-CG 4.48Å; W261-M315 HydrophobicContact CG-SD 4.28Å; W261-M315 HydrophobicContact CH2-CB 3.72Å; W261-M315 HydrophobicContact CH2-CG 4.14Å; W261-M315 WeakPolarHBondContact CH2-O 3.41Å; W261-M315 HydrophobicContact CZ2-CB 3.83Å; W261-M315 HydrophobicContact CZ2-CG 3.73Å; W261-M315 HydrophobicContact CZ3-CB 3.79Å; W261-M315 HydrophobicContact CZ3-CE 4.31Å; W261-M315 HydrophobicContact CZ3-CG 4.33Å; W261-M315 WeakPolarHBondContact CZ3-O 3.41Å; W261-E318 HydrophobicContact CH2-CB 3.97Å; W261-E318 HydrophobicContact CZ2-CB 4.13Å; W261-A319 HydrophobicContact CH2-CB 4.44Å; W261-A319 HydrophobicContact CZ3-CB 4.29Å
262	K	96.8	Very high	97	Very high	120 Å²	120	28.7 Å²	28.7	52%	0.522	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-16.7	176.6	-70.3	166	-169.8	168.4	0	114.2	L258 N259 L260 F536	L258-K262 WeakPolarHBondContact O-CG 3.29Å; L258-K262 PolarHBondContact O-N 3.14Å; N259-K262 PolarHBondContact O-N 3.4Å; L260-K262 VanDerWaalsContact C-N 3.25Å; L260-K262 PolarHBondContact O-N 2.98Å; K262-F536 HydrophobicContact CD-CZ 4.35Å; K262-F536 HydrophobicContact CG-CE2 4.47Å; K262-F536 HydrophobicContact CG-CZ 3.77Å
263	K	97.4	Very high	97	Very high	63 Å²	63	28 Å²	28	27%	0.274	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-4.6	-177.8	-60.5	-58.5	-167.1	156.2	0	113.3	N259 L260 W261 I275 G280 W282	N259-K263 WeakPolarHBondContact O-CG 3.49Å; L260-K263 WeakPolarHBondContact O-CA 3.37Å; L260-K263 WeakPolarHBondContact O-CB 3.41Å; L260-K263 PolarHBondContact O-N 3.33Å; W261-K263 PolarHBondContact O-N 3.18Å; K263-I275 HydrophobicContact CB-CD1 4.15Å; K263-I275 HydrophobicContact CG-CD1 3.93Å; K263-G280 VanDerWaalsContact CD-O 3.25Å; K263-G280 WeakPolarHBondContact CD-O 3.48Å; K263-G280 WeakPolarHBondContact CE-O 3.04Å; K263-G280 PolarHBondContact NZ-O 3.24Å; K263-W282 HydrophobicContact CB-CZ2 3.88Å; K263-W282 PolarHBondContact O-NE1 3.48Å
264	R	97.3	Very high	97	Very high	25 Å²	25	29.2 Å²	29.2	9%	0.094	15%	0.146	C	C	.	.	S	Bend	trans	-59.1	152.3	174.8	72.6	-171.2	-177.8	-92.4	14.8	112.2	W261 S266 L270 F271 E318 S540	W261-R264 VanDerWaalsContact CD2-NH1 3.31Å; W261-R264 VanDerWaalsContact NE1-CZ 3.29Å; W261-R264 VanDerWaalsContact O-CG 3.26Å; W261-R264 WeakPolarHBondContact O-CG 3.48Å; W261-R264 PolarHBondContact O-N 3.41Å; W261-R264 PolarHBondContact O-NH1 3.34Å; R264-S266 PolarHBondContact O-N 3.48Å; R264-L270 CarbonylContact C-O 3.55Å; R264-L270 WeakPolarHBondContact CA-O 3.42Å; R264-F271 HydrophobicContact CB-CD1 4.14Å; R264-F271 HydrophobicContact CB-CD2 4.48Å; R264-F271 HydrophobicContact CB-CE1 3.75Å; R264-F271 HydrophobicContact CB-CE2 4.1Å; R264-F271 HydrophobicContact CB-CG 4.48Å; R264-F271 HydrophobicContact CB-CZ 3.7Å; R264-E318 IonicContact NH2-OE2 2.74Å; R264-S540 PolarHBondContact NH2-O 2.88Å; R264-S540 PolarHBondContact NH2-OG 3.25Å
265	S	96.6	Very high	97.1	Very high	2 Å²	2	28 Å²	28	1%	0.014	14%	0.141	C	C	.	.			trans	-59.1	126.2	174.4	167.4	0	0	0	0	110.3	V267 S268 G269 L270	S265-V267 PolarHBondContact O-N 3.16Å; S265-V267 PolarHBondContact OG-N 2.82Å; S265-S268 WeakPolarHBondContact CB-OG 3.32Å; S265-S268 PolarHBondContact OG-N 2.67Å; S265-S268 PolarHBondContact OG-OG 3.18Å; S265-S268 VanDerWaalsContact OG-OG 3.06Å; S265-G269 VanDerWaalsContact O-CA 3.28Å; S265-G269 WeakPolarHBondContact O-CA 3.45Å; S265-G269 PolarHBondContact O-N 3.4Å; S265-L270 PolarHBondContact N-O 3.01Å
266	S	93.3	Very high	97.1	Very high	86 Å²	86	23.7 Å²	23.7	60%	0.601	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-8.4	175.6	57	0	0	0	0	113.9	R264	R264-S266 PolarHBondContact O-N 3.48Å
267	V	91.1	Very high	97.1	Very high	58 Å²	58	23.6 Å²	23.6	35%	0.352	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-39.8	-178.2	-179.2	0	0	0	0	112.1	S265 L547	S265-V267 PolarHBondContact O-N 3.16Å; S265-V267 PolarHBondContact OG-N 2.82Å; V267-L547 HydrophobicContact CG1-CD1 4.47Å; V267-L547 HydrophobicContact CG1-CD2 4.15Å
268	S	95.1	Very high	97	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.2	-13.8	-172.8	64.4	0	0	0	0	113.7	S265 L270 S322 H326 M349 N544	S265-S268 WeakPolarHBondContact CB-OG 3.32Å; S265-S268 PolarHBondContact OG-N 2.67Å; S265-S268 PolarHBondContact OG-OG 3.18Å; S265-S268 VanDerWaalsContact OG-OG 3.06Å; S268-L270 PolarHBondContact O-N 2.96Å; S268-L270 WeakPolarHBondContact OG-CB 3.31Å; S268-L270 PolarHBondContact OG-N 2.76Å; S268-S322 WeakPolarHBondContact O-CB 3.05Å; S268-S322 PolarHBondContact O-OG 3.35Å; S268-H326 PolarHBondContact O-CD2 3.4Å; S268-H326 PolarHBondContact O-NE2 3.35Å; S268-M349 WeakPolarHBondContact CB-O 3.14Å; S268-M349 PolarHBondContact OG-O 3.28Å; S268-N544 PolarHBondContact O-OD1 3.03Å
269	G	96.1	Very high	97	Very high	4 Å²	4	28.1 Å²	28.1	4%	0.041	16%	0.156	C	C	.	.			trans	71.9	1.7	-170.2	0	0	0	0	0	114.8	S265	S265-G269 VanDerWaalsContact O-CA 3.28Å; S265-G269 WeakPolarHBondContact O-CA 3.45Å; S265-G269 PolarHBondContact O-N 3.4Å
270	L	98	Very high	97	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.016	15%	0.149	C	C	.	.			trans	-82	161.1	-176.3	-64.6	179.5	0	0	0	113.6	R264 S265 S268 H326 L327 V347 M349	R264-L270 CarbonylContact C-O 3.55Å; R264-L270 WeakPolarHBondContact CA-O 3.42Å; S265-L270 PolarHBondContact N-O 3.01Å; S268-L270 PolarHBondContact O-N 2.96Å; S268-L270 WeakPolarHBondContact OG-CB 3.31Å; S268-L270 PolarHBondContact OG-N 2.76Å; L270-H326 HydrophobicContact CD1-CB 3.78Å; L270-L327 HydrophobicContact CD1-CD1 3.82Å; L270-L327 HydrophobicContact CD2-CD1 3.65Å; L270-L327 HydrophobicContact CG-CD1 4.41Å; L270-V347 HydrophobicContact CD1-CG2 3.78Å; L270-M349 HydrophobicContact CB-CB 3.99Å; L270-M349 VanDerWaalsContact O-CE 3.24Å; L270-M349 WeakPolarHBondContact O-CE 3.44Å
271	F	98.3	Very high	96.9	Very high	1 Å²	1	32.1 Å²	32.1	0%	0.004	17%	0.174	C	C	.	.			trans	-110.6	149.8	176.3	-58.2	-99.2	0	0	0	110.4	L227 L260 W261 R264 W282 S287 F296 F297	L227-F271 HydrophobicContact CD1-CB 4.36Å; L227-F271 HydrophobicContact CD1-CD1 4.11Å; L227-F271 HydrophobicContact CD1-CG 4.4Å; L227-F271 HydrophobicContact CD2-CB 3.59Å; L227-F271 HydrophobicContact CD2-CG 4.09Å; L260-F271 WeakPolarHBondContact O-CE1 3.41Å; W261-F271 HydrophobicContact CD2-CZ 4.44Å; W261-F271 HydrophobicContact CE3-CE1 4.37Å; W261-F271 HydrophobicContact CE3-CE2 4.39Å; W261-F271 AromaticContact CE3-CZ 3.53Å; W261-F271 HydrophobicContact CE3-CZ 3.53Å; W261-F271 HydrophobicContact CZ3-CE2 4.16Å; W261-F271 AromaticContact CZ3-CZ 3.74Å; W261-F271 HydrophobicContact CZ3-CZ 3.74Å; R264-F271 HydrophobicContact CB-CD1 4.14Å; R264-F271 HydrophobicContact CB-CD2 4.48Å; R264-F271 HydrophobicContact CB-CE1 3.75Å; R264-F271 HydrophobicContact CB-CE2 4.1Å; R264-F271 HydrophobicContact CB-CG 4.48Å; R264-F271 HydrophobicContact CB-CZ 3.7Å; F271-W282 HydrophobicContact CB-CH2 4.13Å; F271-W282 HydrophobicContact CB-CZ2 4.11Å; F271-W282 HydrophobicContact CD1-CH2 4.25Å; F271-W282 AromaticContact CD1-CZ2 3.93Å; F271-W282 HydrophobicContact CD1-CZ2 3.93Å; F271-S287 WeakPolarHBondContact O-CA 3.37Å; F271-S287 WeakPolarHBondContact O-CB 3.4Å; F271-S287 PolarHBondContact O-OG 3.23Å; F271-F296 HydrophobicContact CD1-CE1 4.34Å; F271-F296 HydrophobicContact CD1-CZ 4.49Å; F271-F296 HydrophobicContact CD2-CE1 4.2Å; F271-F296 HydrophobicContact CE1-CE1 4.07Å; F271-F296 AromaticContact CE1-CZ 4Å; F271-F296 HydrophobicContact CE1-CZ 4Å; F271-F296 AromaticContact CE2-CE1 3.96Å; F271-F296 HydrophobicContact CE2-CE1 3.96Å; F271-F296 HydrophobicContact CG-CE1 4.41Å; F271-F296 AromaticContact CZ-CE1 3.9Å; F271-F296 HydrophobicContact CZ-CE1 3.9Å; F271-F296 HydrophobicContact CZ-CZ 4.07Å; F271-F297 AromaticContact CD2-CE1 3.94Å; F271-F297 HydrophobicContact CD2-CE1 3.94Å; F271-F297 HydrophobicContact CD2-CZ 4.17Å; F271-F297 HydrophobicContact CE2-CE1 4.19Å
272	G	98.2	Very high	97	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.176	C	C	.	.			trans	-75.6	174.6	165.3	0	0	0	0	0	111	W282 N284 M286 M349	G272-W282 VanDerWaalsContact C-CE3 3.45Å; G272-W282 WeakPolarHBondContact O-CZ3 3.47Å; G272-N284 CarbonylContact C-O 3.53Å; G272-N284 WeakPolarHBondContact CA-O 3.25Å; G272-M286 CarbonylContact C-O 3.57Å; G272-M349 PolarHBondContact N-SD 3.48Å
273	S	98	Very high	97	Very high	8 Å²	8	30.7 Å²	30.7	6%	0.056	17%	0.17	C	C	.	.	S	Bend	trans	-93.8	-25	179.5	58.1	0	0	0	0	112.8	C226 L227 N284 M286	C226-S273 CarbonylContact C-O 3.51Å; C226-S273 WeakPolarHBondContact CA-O 3.45Å; C226-S273 WeakPolarHBondContact CB-O 3.32Å; L227-S273 PolarHBondContact N-O 2.56Å; S273-N284 PolarHBondContact N-O 3.31Å; S273-N284 WeakPolarHBondContact OG-CB 3.39Å; S273-N284 PolarHBondContact OG-ND2 3.23Å; S273-N284 VanDerWaalsContact OG-ND2 3.17Å; S273-N284 PolarHBondContact OG-OD1 3.09Å; S273-M286 WeakPolarHBondContact CB-O 3.49Å; S273-M286 PolarHBondContact N-O 2.92Å
274	T	98.5	Very high	97	Very high	29 Å²	29	30.9 Å²	30.9	18%	0.178	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	125.8	-179.8	-49.5	0	0	0	0	110.6	E224 N225 W282 I283 N284	E224-T274 HydrophobicContact CB-CG2 3.9Å; N225-T274 CarbonylContact O-C 3.47Å; N225-T274 WeakPolarHBondContact O-CA 3.48Å; T274-W282 CarbonylContact O-C 3.37Å; T274-W282 WeakPolarHBondContact O-CA 3.15Å; T274-I283 HydrophobicContact CG2-CB 4.41Å; T274-I283 HydrophobicContact CG2-CD1 4.34Å; T274-I283 PolarHBondContact O-N 3.37Å; T274-N284 PolarHBondContact N-O 3.24Å; T274-N284 PolarHBondContact O-N 3.03Å
275	I	98.4	Very high	97	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	140.6	179.6	-168.9	160.4	0	0	0	110.5	I206 N225 L260 K263 W282	I206-I275 HydrophobicContact CD1-CD1 3.77Å; I206-I275 HydrophobicContact CG2-CG2 4.49Å; N225-I275 PolarHBondContact N-O 3.26Å; N225-I275 PolarHBondContact O-N 3.43Å; L260-I275 HydrophobicContact CD2-CD1 4.43Å; L260-I275 HydrophobicContact CD2-CG2 4.47Å; K263-I275 HydrophobicContact CB-CD1 4.15Å; K263-I275 HydrophobicContact CG-CD1 3.93Å; I275-W282 HydrophobicContact CB-CD2 4.4Å; I275-W282 HydrophobicContact CB-CE3 3.75Å; I275-W282 HydrophobicContact CB-CH2 4.26Å; I275-W282 HydrophobicContact CB-CZ3 3.68Å; I275-W282 HydrophobicContact CD1-CD2 4.48Å; I275-W282 HydrophobicContact CD1-CH2 4.18Å; I275-W282 HydrophobicContact CD1-CZ2 4.16Å; I275-W282 HydrophobicContact CD1-CZ3 4.4Å; I275-W282 HydrophobicContact CG1-CE3 4.39Å; I275-W282 HydrophobicContact CG1-CZ3 4.49Å; I275-W282 HydrophobicContact CG2-CZ3 4.36Å
276	D	98.1	Very high	97.1	Very high	28 Å²	28	37.5 Å²	37.5	15%	0.15	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	118.4	166.3	-179.5	63.6	0	0	0	109.4	T223 D278 S279 G280 E281 I283	T223-D276 WeakPolarHBondContact CB-OD1 3.43Å; T223-D276 PolarHBondContact OG1-OD1 3.28Å; D276-D278 VanDerWaalsContact C-N 3.29Å; D276-D278 PolarHBondContact O-N 2.84Å; D276-S279 WeakPolarHBondContact CB-OG 3.23Å; D276-S279 WeakPolarHBondContact OD2-CB 3.2Å; D276-S279 PolarHBondContact OD2-N 3.47Å; D276-S279 PolarHBondContact OD2-OG 3.36Å; D276-G280 WeakPolarHBondContact O-CA 3.37Å; D276-G280 PolarHBondContact O-N 2.85Å; D276-E281 PolarHBondContact N-O 3.44Å; D276-I283 HydrophobicContact CB-CD1 3.73Å; D276-I283 HydrophobicContact CB-CG1 3.93Å
277	V	97.6	Very high	97.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-30	-175.6	170.6	0	0	0	0	112.5	T202 T204 I206 P207 Y208 T223 N225	T202-V277 WeakPolarHBondContact OG1-CG1 3.5Å; T204-V277 WeakPolarHBondContact CB-O 3.48Å; T204-V277 WeakPolarHBondContact CG2-O 3.5Å; T204-V277 PolarHBondContact OG1-O 3.46Å; I206-V277 HydrophobicContact CG2-CG2 4.06Å; I206-V277 WeakPolarHBondContact O-CG1 3.2Å; P207-V277 VanDerWaalsContact O-CG2 3.29Å; P207-V277 WeakPolarHBondContact O-CG2 3.26Å; Y208-V277 HydrophobicContact CD1-CB 4.05Å; Y208-V277 HydrophobicContact CD1-CG1 3.86Å; Y208-V277 HydrophobicContact CD1-CG2 4.49Å; Y208-V277 HydrophobicContact CE1-CB 4.01Å; Y208-V277 HydrophobicContact CE1-CG1 3.71Å; Y208-V277 HydrophobicContact CG-CG1 4.32Å; T223-V277 WeakPolarHBondContact O-CB 3.36Å; T223-V277 VanDerWaalsContact O-CG2 3.26Å; T223-V277 WeakPolarHBondContact O-CG2 3.44Å; T223-V277 PolarHBondContact O-N 2.85Å; N225-V277 HydrophobicContact CB-CG2 3.97Å
278	D	96.3	Very high	97.7	Very high	69 Å²	69	30.7 Å²	30.7	37%	0.369	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-49.7	-176.2	-75.2	-4.1	0	0	0	112.3	Y208 T223 D276	Y208-D278 WeakPolarHBondContact CE1-OD1 3.39Å; Y208-D278 PolarHBondContact OH-OD1 2.73Å; T223-D278 HydrophobicContact CG2-CB 4.47Å; T223-D278 WeakPolarHBondContact CG2-OD2 3.41Å; D276-D278 VanDerWaalsContact C-N 3.29Å; D276-D278 PolarHBondContact O-N 2.84Å
279	S	97.5	Very high	97.8	Very high	63 Å²	63	30.9 Å²	30.9	44%	0.441	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-27.3	178.9	65.4	0	0	0	0	113	D276 E281	D276-S279 WeakPolarHBondContact CB-OG 3.23Å; D276-S279 WeakPolarHBondContact OD2-CB 3.2Å; D276-S279 PolarHBondContact OD2-N 3.47Å; D276-S279 PolarHBondContact OD2-OG 3.36Å; S279-E281 VanDerWaalsContact C-N 3.29Å; S279-E281 PolarHBondContact OG-N 3.49Å
280	G	97.2	Very high	97.9	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.01	16%	0.156	C	C	.	.			trans	70	25.1	-171.1	0	0	0	0	0	113.3	K263 D276	K263-G280 VanDerWaalsContact CD-O 3.25Å; K263-G280 WeakPolarHBondContact CD-O 3.48Å; K263-G280 WeakPolarHBondContact CE-O 3.04Å; K263-G280 PolarHBondContact NZ-O 3.24Å; D276-G280 WeakPolarHBondContact O-CA 3.37Å; D276-G280 PolarHBondContact O-N 2.85Å
281	E	98	Very high	97.7	Very high	112 Å²	112	32.3 Å²	32.3	52%	0.523	17%	0.169	S	C	.	.			trans	-95.3	145.3	174.6	-68	-60.2	138	0	0	111.3	D276 S279 I283	D276-E281 PolarHBondContact N-O 3.44Å; S279-E281 VanDerWaalsContact C-N 3.29Å; S279-E281 PolarHBondContact OG-N 3.49Å; E281-I283 PolarHBondContact O-N 3.44Å
282	W	98.1	Very high	97.6	Very high	11 Å²	11	33.1 Å²	33.1	4%	0.042	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	113	175.5	-62.6	102.6	0	0	0	111.1	L227 K263 F271 G272 T274 I275 R285 M349	L227-W282 HydrophobicContact CB-CZ3 4.42Å; L227-W282 HydrophobicContact CD1-CH2 3.95Å; K263-W282 HydrophobicContact CB-CZ2 3.88Å; K263-W282 PolarHBondContact O-NE1 3.48Å; F271-W282 HydrophobicContact CB-CH2 4.13Å; F271-W282 HydrophobicContact CB-CZ2 4.11Å; F271-W282 HydrophobicContact CD1-CH2 4.25Å; F271-W282 AromaticContact CD1-CZ2 3.93Å; F271-W282 HydrophobicContact CD1-CZ2 3.93Å; G272-W282 VanDerWaalsContact C-CE3 3.45Å; G272-W282 WeakPolarHBondContact O-CZ3 3.47Å; T274-W282 CarbonylContact O-C 3.37Å; T274-W282 WeakPolarHBondContact O-CA 3.15Å; I275-W282 HydrophobicContact CB-CD2 4.4Å; I275-W282 HydrophobicContact CB-CE3 3.75Å; I275-W282 HydrophobicContact CB-CH2 4.26Å; I275-W282 HydrophobicContact CB-CZ3 3.68Å; I275-W282 HydrophobicContact CD1-CD2 4.48Å; I275-W282 HydrophobicContact CD1-CH2 4.18Å; I275-W282 HydrophobicContact CD1-CZ2 4.16Å; I275-W282 HydrophobicContact CD1-CZ3 4.4Å; I275-W282 HydrophobicContact CG1-CE3 4.39Å; I275-W282 HydrophobicContact CG1-CZ3 4.49Å; I275-W282 HydrophobicContact CG2-CZ3 4.36Å; W282-R285 HydrophobicContact CB-CG 4.37Å; W282-M349 HydrophobicContact CB-SD 3.88Å; W282-M349 HydrophobicContact CD2-CE 4.47Å; W282-M349 HydrophobicContact CD2-SD 4.15Å; W282-M349 HydrophobicContact CG-CE 4.05Å; W282-M349 HydrophobicContact CG-SD 3.53Å; W282-M349 VanDerWaalsContact CG-SD 3.53Å
283	I	97.6	Very high	97.6	Very high	81 Å²	81	33.3 Å²	33.3	42%	0.415	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	-53	173.9	-61.3	161.4	0	0	0	109.3	E224 T274 D276 E281	E224-I283 HydrophobicContact CB-CD1 4Å; E224-I283 HydrophobicContact CG-CD1 3.47Å; E224-I283 VanDerWaalsContact CG-CD1 3.47Å; T274-I283 HydrophobicContact CG2-CB 4.41Å; T274-I283 HydrophobicContact CG2-CD1 4.34Å; T274-I283 PolarHBondContact O-N 3.37Å; D276-I283 HydrophobicContact CB-CD1 3.73Å; D276-I283 HydrophobicContact CB-CG1 3.93Å; E281-I283 PolarHBondContact O-N 3.44Å
284	N	97.8	Very high	97.3	Very high	67 Å²	67	33.9 Å²	33.9	36%	0.358	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	112.3	174.1	-169.9	-13	0	0	0	109.6	G272 S273 T274 M286	G272-N284 CarbonylContact C-O 3.53Å; G272-N284 WeakPolarHBondContact CA-O 3.25Å; S273-N284 PolarHBondContact N-O 3.31Å; S273-N284 WeakPolarHBondContact OG-CB 3.39Å; S273-N284 PolarHBondContact OG-ND2 3.23Å; S273-N284 VanDerWaalsContact OG-ND2 3.17Å; S273-N284 PolarHBondContact OG-OD1 3.09Å; T274-N284 PolarHBondContact N-O 3.24Å; T274-N284 PolarHBondContact O-N 3.03Å; N284-M286 VanDerWaalsContact C-N 3.28Å; N284-M286 PolarHBondContact O-N 3.03Å; N284-M286 VanDerWaalsContact OD1-CB 3.26Å; N284-M286 WeakPolarHBondContact OD1-CB 3.26Å; N284-M286 PolarHBondContact OD1-N 3.38Å
285	R	97.6	Very high	97.3	Very high	130 Å²	130	32.5 Å²	32.5	49%	0.491	17%	0.173	S	C	.	.			trans	-85.6	2.5	-175.9	-62.4	175.9	-177.7	-174.1	0.5	113.5	W282 S287 D348 M349 Y350	W282-R285 HydrophobicContact CB-CG 4.37Å; R285-S287 PolarHBondContact O-N 3.39Å; R285-D348 WeakPolarHBondContact CB-OD2 3.29Å; R285-M349 HydrophobicContact CB-CG 4.12Å; R285-M349 HydrophobicContact CB-SD 4.45Å; R285-M349 HydrophobicContact CG-SD 4.49Å; R285-M349 WeakPolarHBondContact O-CB 3.4Å; R285-M349 PolarHBondContact O-N 3.22Å; R285-Y350 HydrophobicContact CG-CD2 4.49Å; R285-Y350 HydrophobicContact CG-CE2 4.18Å
286	M	98.1	Very high	97.3	Very high	37 Å²	37	32.5 Å²	32.5	18%	0.182	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	125.1	173.5	-179.6	175.4	-48.6	0	0	110.1	G272 S273 N284 Q293 N346 V347 V355 N356 W358	G272-M286 CarbonylContact C-O 3.57Å; S273-M286 WeakPolarHBondContact CB-O 3.49Å; S273-M286 PolarHBondContact N-O 2.92Å; N284-M286 VanDerWaalsContact C-N 3.28Å; N284-M286 PolarHBondContact O-N 3.03Å; N284-M286 VanDerWaalsContact OD1-CB 3.26Å; N284-M286 WeakPolarHBondContact OD1-CB 3.26Å; N284-M286 PolarHBondContact OD1-N 3.38Å; M286-Q293 PolarHBondContact O-NE2 2.66Å; M286-N346 HydrophobicContact CG-CB 3.97Å; M286-N346 HydrophobicContact SD-CB 3.95Å; M286-V347 CarbonylContact C-O 3.59Å; M286-V347 WeakPolarHBondContact CA-O 3.21Å; M286-V355 HydrophobicContact CB-CG2 4.2Å; M286-V355 HydrophobicContact CE-CG2 3.75Å; M286-V355 HydrophobicContact CG-CG2 3.7Å; M286-V355 HydrophobicContact SD-CG2 4.16Å; M286-N356 WeakPolarHBondContact CE-ND2 3.29Å; M286-N356 PolarHBondContact SD-ND2 3.46Å; M286-W358 HydrophobicContact CE-CZ2 4.26Å; M286-W358 HydrophobicContact SD-CH2 4.16Å; M286-W358 HydrophobicContact SD-CZ2 4Å
287	S	98.5	Very high	97.3	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.007	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	120.8	174.2	-156	0	0	0	0	108.9	F271 R285 N346 V347	F271-S287 WeakPolarHBondContact O-CA 3.37Å; F271-S287 WeakPolarHBondContact O-CB 3.4Å; F271-S287 PolarHBondContact O-OG 3.23Å; R285-S287 PolarHBondContact O-N 3.39Å; S287-N346 WeakPolarHBondContact O-CA 3.14Å; S287-V347 PolarHBondContact N-O 2.87Å; S287-V347 PolarHBondContact O-N 3Å
288	G	98	Very high	97.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.167	C	C	.	.			trans	-157	-174.3	-171.2	0	0	0	0	0	110.7	Q293 N346	G288-Q293 VanDerWaalsContact CA-OE1 3.3Å; G288-Q293 VanDerWaalsContact N-CD 3.34Å; G288-Q293 VanDerWaalsContact N-NE2 3.11Å; G288-N346 WeakPolarHBondContact CA-OD1 3.4Å
289	L	98.2	Very high	97.5	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.016	15%	0.149	C	C	.	.	S	Bend	trans	-121.4	6.2	-178.4	-60.7	171.3	0	0	0	112.4	F297 I323 L327 Y344 Q363 W366	L289-F297 HydrophobicContact CD2-CD2 3.95Å; L289-F297 HydrophobicContact CD2-CE2 4.04Å; L289-I323 HydrophobicContact CD1-CG2 4.07Å; L289-I323 HydrophobicContact CD2-CD1 3.8Å; L289-I323 HydrophobicContact CD2-CG1 4.23Å; L289-I323 HydrophobicContact CD2-CG2 4.12Å; L289-L327 HydrophobicContact CD1-CD2 4.44Å; L289-L327 HydrophobicContact CD2-CD2 4.42Å; L289-L327 HydrophobicContact CG-CD2 3.96Å; L289-Y344 HydrophobicContact CD1-CD1 3.64Å; L289-Y344 HydrophobicContact CD1-CE1 4.42Å; L289-Y344 HydrophobicContact CD1-CG 3.75Å; L289-Q363 HydrophobicContact CB-CG 4.07Å; L289-Q363 WeakPolarHBondContact O-CA 3.47Å; L289-W366 HydrophobicContact CD1-CB 4.41Å; L289-W366 HydrophobicContact CD1-CD2 3.77Å; L289-W366 HydrophobicContact CD1-CG 3.68Å; L289-W366 HydrophobicContact CD1-CZ2 4.44Å; L289-W366 HydrophobicContact CD2-CD2 4Å; L289-W366 HydrophobicContact CD2-CE3 3.94Å; L289-W366 HydrophobicContact CD2-CH2 4.21Å; L289-W366 HydrophobicContact CD2-CZ2 4.25Å; L289-W366 HydrophobicContact CD2-CZ3 4.06Å; L289-W366 HydrophobicContact CG-CD2 4.37Å
290	G	97.5	Very high	97.5	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.01	13%	0.128	C	C	.	.	S	Bend	trans	-103.2	-146	-178.4	0	0	0	0	0	112.5	G292 Q293 D294 D360	G290-G292 PolarHBondContact O-N 3.02Å; G290-Q293 PolarHBondContact O-N 2.89Å; G290-D294 PolarHBondContact O-N 3.31Å; G290-D360 WeakPolarHBondContact CA-OD1 3.26Å; G290-D360 WeakPolarHBondContact CA-OD2 3.28Å
291	A	95.2	Very high	97.5	Very high	36 Å²	36	25.6 Å²	25.6	30%	0.298	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	120.8	-171.6	0	0	0	0	0	113.5	D360 L362	A291-D360 WeakPolarHBondContact CB-OD2 3.47Å; A291-D360 PolarHBondContact N-OD2 3.15Å; A291-L362 HydrophobicContact CB-CD1 3.69Å
292	G	95.5	Very high	97.5	Very high	19 Å²	19	20.4 Å²	20.4	20%	0.196	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	85	5.5	176.6	0	0	0	0	0	114.6	L227 A228 G290	L227-G292 PolarHBondContact N-O 3.28Å; L227-G292 VanDerWaalsContact N-O 3.14Å; A228-G292 VanDerWaalsContact CB-C 3.46Å; A228-G292 PolarHBondContact N-O 2.9Å; G290-G292 PolarHBondContact O-N 3.02Å
293	Q	97.6	Very high	97.5	Very high	4 Å²	4	19.9 Å²	19.9	2%	0.019	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137	-40.6	-176.7	-51.4	-176.3	-94.6	0	0	112.7	L227 M286 G288 G290 S295 F296	L227-Q293 HydrophobicContact CD2-CB 4.43Å; M286-Q293 PolarHBondContact O-NE2 2.66Å; G288-Q293 VanDerWaalsContact CA-OE1 3.3Å; G288-Q293 VanDerWaalsContact N-CD 3.34Å; G288-Q293 VanDerWaalsContact N-NE2 3.11Å; G290-Q293 PolarHBondContact O-N 2.89Å; Q293-S295 PolarHBondContact O-N 3.03Å; Q293-F296 WeakPolarHBondContact O-CB 3.47Å; Q293-F296 PolarHBondContact O-N 3.42Å
294	D	92.6	Very high	97.5	Very high	19 Å²	19	20.6 Å²	20.6	10%	0.102	10%	0.102	C	C	.	.	H	α-helix	trans	-22.1	-75.4	174.4	42.8	30.6	0	0	0	115.8	A228 G290 F296 F297 L362	A228-D294 WeakPolarHBondContact CB-OD1 3.26Å; G290-D294 PolarHBondContact O-N 3.31Å; D294-F296 PolarHBondContact O-N 2.98Å; D294-F297 PolarHBondContact O-N 2.88Å; D294-L362 WeakPolarHBondContact OD2-CD2 3.42Å
295	S	97.9	Very high	97.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-74.2	-12.8	-165.9	55.8	0	0	0	0	113.3	A228 S232 Q293 E298 Y299	A228-S295 WeakPolarHBondContact CB-OG 3.38Å; S232-S295 WeakPolarHBondContact OG-CB 3.46Å; S232-S295 PolarHBondContact OG-O 3.37Å; S232-S295 PolarHBondContact OG-OG 3.15Å; Q293-S295 PolarHBondContact O-N 3.03Å; S295-E298 PolarHBondContact O-N 3.17Å; S295-Y299 VanDerWaalsContact O-CB 3.3Å; S295-Y299 WeakPolarHBondContact O-CB 3.43Å; S295-Y299 WeakPolarHBondContact O-CD2 3.29Å; S295-Y299 PolarHBondContact O-N 2.96Å
296	F	98.6	Very high	97.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61.9	-50.1	174.9	170.6	-102.5	0	0	0	111.1	L227 I257 L260 F271 Q293 D294 Y299 L300	L227-F296 HydrophobicContact CD1-CB 4.33Å; L227-F296 HydrophobicContact CD1-CD1 3.92Å; L227-F296 HydrophobicContact CD1-CD2 3.79Å; L227-F296 HydrophobicContact CD1-CE1 4.14Å; L227-F296 HydrophobicContact CD1-CE2 4.02Å; L227-F296 HydrophobicContact CD1-CG 3.74Å; L227-F296 HydrophobicContact CD1-CZ 4.19Å; L227-F296 HydrophobicContact CD2-CB 4.16Å; L227-F296 HydrophobicContact CD2-CD1 3.77Å; L227-F296 HydrophobicContact CD2-CE1 4.41Å; L227-F296 HydrophobicContact CD2-CG 4.03Å; L227-F296 HydrophobicContact CG-CB 3.78Å; L227-F296 HydrophobicContact CG-CD1 3.95Å; L227-F296 HydrophobicContact CG-CD2 4.2Å; L227-F296 HydrophobicContact CG-CG 3.7Å; I257-F296 HydrophobicContact CD1-CD2 4.21Å; I257-F296 HydrophobicContact CD1-CE2 3.89Å; L260-F296 HydrophobicContact CB-CE2 4.33Å; L260-F296 HydrophobicContact CD1-CD2 4.46Å; L260-F296 HydrophobicContact CD1-CE2 4.15Å; F271-F296 HydrophobicContact CD1-CE1 4.34Å; F271-F296 HydrophobicContact CD1-CZ 4.49Å; F271-F296 HydrophobicContact CD2-CE1 4.2Å; F271-F296 HydrophobicContact CE1-CE1 4.07Å; F271-F296 AromaticContact CE1-CZ 4Å; F271-F296 HydrophobicContact CE1-CZ 4Å; F271-F296 AromaticContact CE2-CE1 3.96Å; F271-F296 HydrophobicContact CE2-CE1 3.96Å; F271-F296 HydrophobicContact CG-CE1 4.41Å; F271-F296 AromaticContact CZ-CE1 3.9Å; F271-F296 HydrophobicContact CZ-CE1 3.9Å; F271-F296 HydrophobicContact CZ-CZ 4.07Å; Q293-F296 WeakPolarHBondContact O-CB 3.47Å; Q293-F296 PolarHBondContact O-N 3.42Å; D294-F296 PolarHBondContact O-N 2.98Å; F296-Y299 PolarHBondContact O-N 2.92Å; F296-L300 HydrophobicContact CE1-CD1 3.92Å; F296-L300 HydrophobicContact CZ-CD1 4.07Å; F296-L300 HydrophobicContact CZ-CG 4.5Å; F296-L300 PolarHBondContact O-N 2.95Å
297	F	98.2	Very high	97.4	Very high	3 Å²	3	12.1 Å²	12.1	1%	0.013	7%	0.066	C	C	.	.	H	α-helix	trans	-69.2	-39.2	-179.6	-57.3	-66.9	0	0	0	111.3	L227 F271 L289 D294 Y299 L300 H301 F316 A319 I323 W366	L227-F297 HydrophobicContact CD2-CZ 4.31Å; F271-F297 AromaticContact CD2-CE1 3.94Å; F271-F297 HydrophobicContact CD2-CE1 3.94Å; F271-F297 HydrophobicContact CD2-CZ 4.17Å; F271-F297 HydrophobicContact CE2-CE1 4.19Å; L289-F297 HydrophobicContact CD2-CD2 3.95Å; L289-F297 HydrophobicContact CD2-CE2 4.04Å; D294-F297 PolarHBondContact O-N 2.88Å; F297-Y299 VanDerWaalsContact C-N 3.33Å; F297-Y299 PolarHBondContact O-N 3.35Å; F297-L300 PolarHBondContact O-N 3.43Å; F297-H301 PolarHBondContact O-N 3.32Å; F297-F316 VanDerWaalsContact O-CD2 3.24Å; F297-F316 WeakPolarHBondContact O-CD2 3.39Å; F297-A319 HydrophobicContact CD1-CB 3.89Å; F297-A319 HydrophobicContact CE1-CB 4Å; F297-I323 HydrophobicContact CD1-CD1 3.86Å; F297-I323 HydrophobicContact CD2-CD1 4.22Å; F297-I323 HydrophobicContact CE1-CD1 3.85Å; F297-I323 HydrophobicContact CE2-CD1 4.2Å; F297-I323 HydrophobicContact CG-CD1 4.05Å; F297-I323 HydrophobicContact CZ-CD1 4.02Å; F297-W366 HydrophobicContact CB-CH2 4.3Å; F297-W366 HydrophobicContact CB-CZ3 3.72Å; F297-W366 HydrophobicContact CG-CZ3 4.39Å
298	E	98.4	Very high	97.1	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.009	8%	0.084	C	C	.	.	H	α-helix	trans	-55.7	-47.1	172.8	-176.6	-163	148.9	0	0	111.5	S295 L300 H301 K302 V369 T503	S295-E298 PolarHBondContact O-N 3.17Å; E298-L300 PolarHBondContact O-N 3.19Å; E298-H301 PolarHBondContact O-N 2.89Å; E298-K302 HydrophobicContact CG-CD 3.65Å; E298-K302 HydrophobicContact CG-CG 4.1Å; E298-K302 WeakPolarHBondContact O-CB 3.42Å; E298-K302 WeakPolarHBondContact O-CG 3.4Å; E298-K302 PolarHBondContact O-N 2.86Å; E298-K302 WeakPolarHBondContact OE1-CD 3.21Å; E298-K302 WeakPolarHBondContact OE1-CE 3.25Å; E298-K302 IonicContact OE1-NZ 3.32Å; E298-K302 PolarHBondContact OE1-NZ 3.38Å; E298-V369 HydrophobicContact CB-CG2 3.85Å; E298-V369 HydrophobicContact CG-CG2 3.93Å; E298-T503 WeakPolarHBondContact OE1-CA 3.29Å; E298-T503 WeakPolarHBondContact OE1-CB 3.48Å; E298-T503 PolarHBondContact OE1-N 3.37Å; E298-T503 PolarHBondContact OE2-OG1 3.24Å
299	Y	98.5	Very high	97	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-69.3	-30.6	-177.3	-88.6	-138.6	0	0	0	112.8	S232 L234 L235 E236 S295 F296 F297 H301 A303 T503	S232-Y299 VanDerWaalsContact C-CE1 3.43Å; S232-Y299 VanDerWaalsContact CA-CD1 3.47Å; S232-Y299 VanDerWaalsContact O-CE1 3.27Å; S232-Y299 WeakPolarHBondContact O-CE1 3.39Å; L234-Y299 HydrophobicContact CB-CD1 4.01Å; L235-Y299 HydrophobicContact CB-CE1 4.04Å; L235-Y299 HydrophobicContact CD1-CD1 4.37Å; L235-Y299 HydrophobicContact CD1-CD2 4.11Å; L235-Y299 HydrophobicContact CD1-CE1 4.1Å; L235-Y299 HydrophobicContact CD1-CE2 3.8Å; L235-Y299 HydrophobicContact CD1-CG 4.37Å; L235-Y299 HydrophobicContact CG-CD1 3.89Å; L235-Y299 HydrophobicContact CG-CD2 4.45Å; L235-Y299 HydrophobicContact CG-CE1 3.8Å; L235-Y299 HydrophobicContact CG-CE2 4.35Å; L235-Y299 HydrophobicContact CG-CG 4.22Å; E236-Y299 PolarHBondContact OE1-OH 3.02Å; E236-Y299 VanDerWaalsContact OE2-CE1 3.32Å; E236-Y299 WeakPolarHBondContact OE2-CE1 3.49Å; E236-Y299 PolarHBondContact OE2-OH 3.28Å; S295-Y299 VanDerWaalsContact O-CB 3.3Å; S295-Y299 WeakPolarHBondContact O-CB 3.43Å; S295-Y299 WeakPolarHBondContact O-CD2 3.29Å; S295-Y299 PolarHBondContact O-N 2.96Å; F296-Y299 PolarHBondContact O-N 2.92Å; F297-Y299 VanDerWaalsContact C-N 3.33Å; F297-Y299 PolarHBondContact O-N 3.35Å; Y299-H301 VanDerWaalsContact C-N 3.33Å; Y299-A303 WeakPolarHBondContact O-CB 3.02Å; Y299-A303 PolarHBondContact O-N 2.95Å; Y299-T503 HydrophobicContact CE2-CG2 3.8Å
300	L	98.3	Very high	96.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-58.9	-46.9	170.8	-66.3	177.9	0	0	0	110.9	I257 W261 F296 F297 E298 Y304 L312 M315 F316	I257-L300 HydrophobicContact CG2-CD2 3.69Å; W261-L300 HydrophobicContact CZ3-CD1 4.2Å; F296-L300 HydrophobicContact CE1-CD1 3.92Å; F296-L300 HydrophobicContact CZ-CD1 4.07Å; F296-L300 HydrophobicContact CZ-CG 4.5Å; F296-L300 PolarHBondContact O-N 2.95Å; F297-L300 PolarHBondContact O-N 3.43Å; E298-L300 PolarHBondContact O-N 3.19Å; L300-Y304 PolarHBondContact O-N 2.93Å; L300-L312 HydrophobicContact CD2-CD2 4.1Å; L300-M315 HydrophobicContact CD1-CB 4.4Å; L300-M315 HydrophobicContact CD2-CB 4.43Å; L300-M315 HydrophobicContact CD2-CE 3.84Å; L300-F316 HydrophobicContact CB-CB 3.86Å; L300-F316 HydrophobicContact CB-CD2 4.37Å
301	H	97.8	Very high	96.6	Very high	11 Å²	11	20.3 Å²	20.3	5%	0.051	12%	0.118	C	C	.	.	H	α-helix	trans	-73	-47.1	-179.8	-166.8	55.3	0	0	0	112.5	F297 E298 Y299 A303 Y304 I305 F316 L372 H373	F297-H301 PolarHBondContact O-N 3.32Å; E298-H301 PolarHBondContact O-N 2.89Å; Y299-H301 VanDerWaalsContact C-N 3.33Å; H301-A303 VanDerWaalsContact C-N 3.29Å; H301-A303 PolarHBondContact O-N 3.2Å; H301-Y304 WeakPolarHBondContact O-CB 3.4Å; H301-Y304 PolarHBondContact O-N 2.87Å; H301-I305 PolarHBondContact O-N 2.65Å; H301-I305 VanDerWaalsContact O-N 3.16Å; H301-F316 HydrophobicContact CB-CB 4.36Å; H301-F316 HydrophobicContact CB-CD1 3.94Å; H301-F316 HydrophobicContact CB-CD2 3.69Å; H301-F316 HydrophobicContact CB-CE1 4.15Å; H301-F316 HydrophobicContact CB-CE2 3.89Å; H301-F316 HydrophobicContact CB-CG 3.7Å; H301-F316 HydrophobicContact CB-CZ 4.12Å; H301-F316 AromaticContact CG-CD1 3.9Å; H301-F316 AromaticContact CG-CE1 3.93Å; H301-F316 AromaticContact ND1-CD1 3.49Å; H301-F316 WeakPolarHBondContact ND1-CD1 3.29Å; H301-F316 AromaticContact ND1-CE1 3.75Å; H301-L372 PolarHBondContact NE2-O 2.86Å; H301-H373 AromaticContact CE1-ND1 3.89Å; H301-H373 WeakPolarHBondContact NE2-CA 3.39Å; H301-H373 PolarHBondContact NE2-N 3.14Å
302	K	98.4	Very high	96.6	Very high	4 Å²	4	18.6 Å²	18.6	2%	0.017	10%	0.103	C	C	.	.	H	α-helix	trans	-64	-33.6	-179.8	-72.3	-171.3	175.3	179.8	0	111.8	L235 E298 I305 L306 L372 E420 V500 F501 S502	L235-K302 HydrophobicContact CD1-CB 3.92Å; L235-K302 HydrophobicContact CD1-CD 4.27Å; L235-K302 HydrophobicContact CD2-CB 4.12Å; E298-K302 HydrophobicContact CG-CD 3.65Å; E298-K302 HydrophobicContact CG-CG 4.1Å; E298-K302 WeakPolarHBondContact O-CB 3.42Å; E298-K302 WeakPolarHBondContact O-CG 3.4Å; E298-K302 PolarHBondContact O-N 2.86Å; E298-K302 WeakPolarHBondContact OE1-CD 3.21Å; E298-K302 WeakPolarHBondContact OE1-CE 3.25Å; E298-K302 IonicContact OE1-NZ 3.32Å; E298-K302 PolarHBondContact OE1-NZ 3.38Å; K302-I305 PolarHBondContact O-N 2.72Å; K302-L306 VanDerWaalsContact O-CB 3.27Å; K302-L306 WeakPolarHBondContact O-CB 3.13Å; K302-L306 PolarHBondContact O-N 3.27Å; K302-L372 HydrophobicContact CG-CD1 4.21Å; K302-E420 IonicContact NZ-OE1 3.68Å; K302-E420 PolarHBondContact NZ-OE1 3.37Å; K302-V500 HydrophobicContact CB-CG1 3.95Å; K302-V500 HydrophobicContact CD-CG1 3.94Å; K302-V500 HydrophobicContact CG-CG1 3.96Å; K302-F501 WeakPolarHBondContact CD-O 3.42Å; K302-F501 WeakPolarHBondContact CE-O 3.47Å; K302-F501 PolarHBondContact NZ-O 3.24Å; K302-S502 PolarHBondContact NZ-O 3Å
303	A	98.1	Very high	96.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-72	-34.3	175.2	0	0	0	0	0	113	L234 L235 Y299 H301 I305 F307 L312	L234-A303 HydrophobicContact CD2-CB 3.35Å; L234-A303 HydrophobicContact CG-CB 3.88Å; L235-A303 HydrophobicContact CD2-CB 3.97Å; Y299-A303 WeakPolarHBondContact O-CB 3.02Å; Y299-A303 PolarHBondContact O-N 2.95Å; H301-A303 VanDerWaalsContact C-N 3.29Å; H301-A303 PolarHBondContact O-N 3.2Å; A303-I305 VanDerWaalsContact C-N 3.31Å; A303-I305 PolarHBondContact O-N 3.31Å; A303-F307 HydrophobicContact CB-CD2 3.88Å; A303-F307 HydrophobicContact CB-CE2 4.17Å; A303-F307 WeakPolarHBondContact O-CB 3.4Å; A303-F307 WeakPolarHBondContact O-CD2 3.38Å; A303-F307 PolarHBondContact O-N 3.26Å; A303-L312 HydrophobicContact CB-CD1 3.78Å
304	Y	96.2	Very high	96.6	Very high	95 Å²	95	21.9 Å²	21.9	37%	0.373	12%	0.117	S	C	.	.	H	α-helix	trans	-57.1	-46.6	169.2	164.5	-118.7	0	0	0	111	L300 H301 G308 D309 N310	L300-Y304 PolarHBondContact O-N 2.93Å; H301-Y304 WeakPolarHBondContact O-CB 3.4Å; H301-Y304 PolarHBondContact O-N 2.87Å; Y304-G308 WeakPolarHBondContact O-CA 3.19Å; Y304-G308 PolarHBondContact O-N 3.46Å; Y304-D309 VanDerWaalsContact CD2-O 3.29Å; Y304-D309 WeakPolarHBondContact CD2-O 3.32Å; Y304-D309 PolarHBondContact O-N 3.24Å; Y304-N310 WeakPolarHBondContact CE2-OD1 3.43Å
305	I	96.3	Very high	96.8	Very high	45 Å²	45	21 Å²	21	23%	0.231	11%	0.112	C	C	.	.	H	α-helix	trans	-66.3	-51.5	178.1	-60.3	168.3	0	0	0	111.1	H301 K302 A303 V500 I510 Q514	H301-I305 PolarHBondContact O-N 2.65Å; H301-I305 VanDerWaalsContact O-N 3.16Å; K302-I305 PolarHBondContact O-N 2.72Å; A303-I305 VanDerWaalsContact C-N 3.31Å; A303-I305 PolarHBondContact O-N 3.31Å; I305-V500 HydrophobicContact CB-CG2 4.09Å; I305-V500 HydrophobicContact CG2-CG2 3.47Å; I305-V500 VanDerWaalsContact CG2-CG2 3.47Å; I305-I510 HydrophobicContact CG2-CD1 3.77Å; I305-I510 HydrophobicContact CG2-CG1 4.31Å; I305-Q514 PolarHBondContact O-NE2 2.91Å; I305-Q514 VanDerWaalsContact O-NE2 3.16Å
306	L	98	Very high	96.8	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-68.8	-39.4	-172	-176.2	59.4	0	0	0	112.8	L235 K302 F508 I510 I513 Q514	L235-L306 HydrophobicContact CB-CD2 4.32Å; L235-L306 HydrophobicContact CD2-CB 4.35Å; L235-L306 HydrophobicContact CD2-CD2 3.85Å; K302-L306 VanDerWaalsContact O-CB 3.27Å; K302-L306 WeakPolarHBondContact O-CB 3.13Å; K302-L306 PolarHBondContact O-N 3.27Å; L306-F508 HydrophobicContact CD1-CB 3.81Å; L306-F508 HydrophobicContact CD2-CB 3.98Å; L306-F508 HydrophobicContact CD2-CG 4.24Å; L306-I510 HydrophobicContact CD1-CG1 4.45Å; L306-I513 HydrophobicContact CD1-CB 3.96Å; L306-I513 HydrophobicContact CD1-CG1 4.06Å; L306-I513 HydrophobicContact CD1-CG2 4.08Å; L306-I513 HydrophobicContact CG-CB 4.48Å; L306-I513 HydrophobicContact CG-CG2 4.05Å; L306-Q514 VanDerWaalsContact O-CG 3.23Å; L306-Q514 WeakPolarHBondContact O-CG 3.39Å
307	F	97.2	Very high	96.7	Very high	11 Å²	11	27.3 Å²	27.3	5%	0.048	14%	0.137	C	C	.	.	H	α-helix	trans	-106.9	-11.4	-174.8	-54.7	-61.3	0	0	0	114.3	L235 A303 I513 M517 F525	L235-F307 HydrophobicContact CD2-CE2 4.12Å; A303-F307 HydrophobicContact CB-CD2 3.88Å; A303-F307 HydrophobicContact CB-CE2 4.17Å; A303-F307 WeakPolarHBondContact O-CB 3.4Å; A303-F307 WeakPolarHBondContact O-CD2 3.38Å; A303-F307 PolarHBondContact O-N 3.26Å; F307-I513 HydrophobicContact CD1-CG2 3.69Å; F307-I513 HydrophobicContact CE1-CG2 3.51Å; F307-M517 HydrophobicContact CD1-CG 4.06Å; F307-F525 HydrophobicContact CB-CB 3.79Å; F307-F525 HydrophobicContact CB-CD2 3.6Å; F307-F525 HydrophobicContact CB-CE2 4.41Å; F307-F525 HydrophobicContact CB-CG 3.82Å; F307-F525 AromaticContact CD1-CD2 3.62Å; F307-F525 HydrophobicContact CD1-CD2 3.62Å; F307-F525 AromaticContact CD1-CE2 3.81Å; F307-F525 HydrophobicContact CD1-CE2 3.81Å; F307-F525 AromaticContact CD2-CD2 3.68Å; F307-F525 HydrophobicContact CD2-CD2 3.68Å; F307-F525 HydrophobicContact CD2-CE1 4.5Å; F307-F525 AromaticContact CD2-CE2 3.62Å; F307-F525 HydrophobicContact CD2-CE2 3.62Å; F307-F525 HydrophobicContact CD2-CG 4.21Å; F307-F525 HydrophobicContact CD2-CZ 4.06Å; F307-F525 HydrophobicContact CE1-CD2 4.19Å; F307-F525 AromaticContact CE1-CE2 3.9Å; F307-F525 HydrophobicContact CE1-CE2 3.9Å; F307-F525 HydrophobicContact CE2-CD2 4.25Å; F307-F525 AromaticContact CE2-CE2 3.72Å; F307-F525 HydrophobicContact CE2-CE2 3.72Å; F307-F525 HydrophobicContact CE2-CZ 4.05Å; F307-F525 HydrophobicContact CG-CB 4.48Å; F307-F525 AromaticContact CG-CD2 3.34Å; F307-F525 HydrophobicContact CG-CD2 3.34Å; F307-F525 AromaticContact CG-CE2 3.68Å; F307-F525 HydrophobicContact CG-CE2 3.68Å; F307-F525 AromaticContact CG-CG 3.99Å; F307-F525 HydrophobicContact CG-CG 3.99Å; F307-F525 HydrophobicContact CZ-CD2 4.49Å; F307-F525 AromaticContact CZ-CE2 3.88Å; F307-F525 HydrophobicContact CZ-CE2 3.88Å; F307-F525 HydrophobicContact CZ-CZ 4.5Å
308	G	93.5	Very high	96.6	Very high	37 Å²	37	28.9 Å²	28.9	38%	0.381	14%	0.144	S	C	.	.			trans	73.4	29.6	-175.7	0	0	0	0	0	113.4	Y304 N310	Y304-G308 WeakPolarHBondContact O-CA 3.19Å; Y304-G308 PolarHBondContact O-N 3.46Å; G308-N310 PolarHBondContact O-N 3.39Å
309	D	94.6	Very high	96.6	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.021	15%	0.145	C	C	.	.			trans	-90.4	96.4	-173	-167.9	-40.1	0	0	0	112.7	R254 Y304 E311 L312 G313 F525	R254-D309 IonicContact CZ-OD2 3.37Å; R254-D309 VanDerWaalsContact CZ-OD2 3.28Å; R254-D309 IonicContact NH1-OD1 3.32Å; R254-D309 IonicContact NH1-OD2 2.68Å; R254-D309 PolarHBondContact NH1-OD2 3.07Å; R254-D309 IonicContact NH2-OD1 2.74Å; R254-D309 PolarHBondContact NH2-OD1 3.24Å; R254-D309 IonicContact NH2-OD2 3.43Å; R254-D309 PolarHBondContact NH2-OD2 3.28Å; Y304-D309 VanDerWaalsContact CD2-O 3.29Å; Y304-D309 WeakPolarHBondContact CD2-O 3.32Å; Y304-D309 PolarHBondContact O-N 3.24Å; D309-E311 PolarHBondContact O-N 3.14Å; D309-E311 WeakPolarHBondContact OD1-CB 3.14Å; D309-E311 PolarHBondContact OD1-N 3.17Å; D309-L312 HydrophobicContact CB-CB 4.15Å; D309-L312 HydrophobicContact CB-CD1 3.85Å; D309-L312 HydrophobicContact CB-CG 4.13Å; D309-L312 PolarHBondContact O-N 3.5Å; D309-L312 PolarHBondContact OD1-N 2.63Å; D309-L312 VanDerWaalsContact OD1-N 3.12Å; D309-L312 WeakPolarHBondContact OD2-CD1 3.28Å; D309-G313 PolarHBondContact O-N 2.6Å; D309-F525 HydrophobicContact CB-CB 4.16Å; D309-F525 VanDerWaalsContact OD2-CA 3.26Å; D309-F525 WeakPolarHBondContact OD2-CA 3.45Å; D309-F525 WeakPolarHBondContact OD2-CD1 3.49Å
310	N	93.1	Very high	96.5	Very high	105 Å²	105	29.1 Å²	29.1	56%	0.561	15%	0.146	S	C	*	.	H	α-helix	trans	-60.7	-27.3	-178.6	-66.1	-38.4	0	0	0	114	Y304 G308 Q314	Y304-N310 WeakPolarHBondContact CE2-OD1 3.43Å; G308-N310 PolarHBondContact O-N 3.39Å; N310-Q314 WeakPolarHBondContact O-CB 3.36Å; N310-Q314 PolarHBondContact O-N 2.9Å
311	E	94.5	Very high	96.4	Very high	32 Å²	32	31 Å²	31	15%	0.15	16%	0.159	C	C	.	.	H	α-helix	trans	-71.1	-44	179	-171.7	178.8	-179.7	0	0	110	R254 D309 G313 Q314 M315 V537	R254-E311 IonicContact CZ-OE2 3.1Å; R254-E311 IonicContact NH2-OE2 3.7Å; R254-E311 PolarHBondContact NH2-OE2 3.02Å; D309-E311 PolarHBondContact O-N 3.14Å; D309-E311 WeakPolarHBondContact OD1-CB 3.14Å; D309-E311 PolarHBondContact OD1-N 3.17Å; E311-G313 VanDerWaalsContact C-N 3.32Å; E311-G313 PolarHBondContact O-N 3.09Å; E311-Q314 PolarHBondContact O-N 3.08Å; E311-M315 HydrophobicContact CG-SD 4.41Å; E311-M315 VanDerWaalsContact O-CG 3.23Å; E311-M315 WeakPolarHBondContact O-CG 3.49Å; E311-M315 PolarHBondContact O-N 3.41Å; E311-V537 HydrophobicContact CG-CG2 3.93Å
312	L	96.3	Very high	96.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.6	-37.6	174.6	-65.6	174.8	0	0	0	112	L234 I257 L300 A303 D309 Q314 M315 F316 F525	L234-L312 HydrophobicContact CD2-CD1 3.78Å; L234-L312 HydrophobicContact CD2-CD2 4.42Å; I257-L312 HydrophobicContact CG2-CD2 3.83Å; L300-L312 HydrophobicContact CD2-CD2 4.1Å; A303-L312 HydrophobicContact CB-CD1 3.78Å; D309-L312 HydrophobicContact CB-CB 4.15Å; D309-L312 HydrophobicContact CB-CD1 3.85Å; D309-L312 HydrophobicContact CB-CG 4.13Å; D309-L312 PolarHBondContact O-N 3.5Å; D309-L312 PolarHBondContact OD1-N 2.63Å; D309-L312 VanDerWaalsContact OD1-N 3.12Å; D309-L312 WeakPolarHBondContact OD2-CD1 3.28Å; L312-Q314 VanDerWaalsContact C-N 3.35Å; L312-M315 HydrophobicContact CD2-CE 4.23Å; L312-M315 HydrophobicContact CD2-SD 4Å; L312-M315 WeakPolarHBondContact O-CB 3.17Å; L312-M315 PolarHBondContact O-N 3.34Å; L312-F316 PolarHBondContact O-N 2.99Å; L312-F525 HydrophobicContact CD1-CD1 4.29Å; L312-F525 HydrophobicContact CD1-CE1 4.44Å
313	G	95.1	Very high	96.3	Very high	13 Å²	13	30.5 Å²	30.5	13%	0.134	16%	0.157	C	C	.	.	H	α-helix	trans	-62.4	-41.4	173.9	0	0	0	0	0	112.4	D309 E311 F316 Y317	D309-G313 PolarHBondContact O-N 2.6Å; E311-G313 VanDerWaalsContact C-N 3.32Å; E311-G313 PolarHBondContact O-N 3.09Å; G313-F316 PolarHBondContact O-N 3.03Å; G313-Y317 PolarHBondContact O-N 3.16Å
314	Q	96.2	Very high	96.1	Very high	78 Å²	78	33.8 Å²	33.8	36%	0.364	17%	0.173	S	C	.	.	H	α-helix	trans	-66.6	-40	174.7	-179	59.5	34.7	0	0	112	N310 E311 L312 F316 Y317 E318 V537	N310-Q314 WeakPolarHBondContact O-CB 3.36Å; N310-Q314 PolarHBondContact O-N 2.9Å; E311-Q314 PolarHBondContact O-N 3.08Å; L312-Q314 VanDerWaalsContact C-N 3.35Å; Q314-F316 VanDerWaalsContact C-N 3.33Å; Q314-F316 PolarHBondContact O-N 3.03Å; Q314-Y317 PolarHBondContact O-N 3.33Å; Q314-E318 PolarHBondContact NE2-OE1 3.39Å; Q314-E318 PolarHBondContact O-N 2.86Å; Q314-V537 HydrophobicContact CG-CG1 3.72Å
315	M	97.3	Very high	96	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59.8	-43.5	173.5	-70.3	171.1	51.8	0	0	111.4	I257 L258 W261 L300 E311 L312 E318 A319	I257-M315 HydrophobicContact CG2-CE 3.4Å; I257-M315 VanDerWaalsContact CG2-CE 3.4Å; L258-M315 HydrophobicContact CD2-SD 4.22Å; W261-M315 HydrophobicContact CB-CE 3.76Å; W261-M315 HydrophobicContact CD2-CB 4.27Å; W261-M315 HydrophobicContact CD2-CE 3.43Å; W261-M315 VanDerWaalsContact CD2-CE 3.43Å; W261-M315 HydrophobicContact CD2-CG 3.91Å; W261-M315 HydrophobicContact CD2-SD 4.23Å; W261-M315 HydrophobicContact CE3-CB 4.08Å; W261-M315 HydrophobicContact CE3-CE 3.51Å; W261-M315 HydrophobicContact CE3-CG 4.24Å; W261-M315 HydrophobicContact CG-CE 3.52Å; W261-M315 HydrophobicContact CG-CG 4.48Å; W261-M315 HydrophobicContact CG-SD 4.28Å; W261-M315 HydrophobicContact CH2-CB 3.72Å; W261-M315 HydrophobicContact CH2-CG 4.14Å; W261-M315 WeakPolarHBondContact CH2-O 3.41Å; W261-M315 HydrophobicContact CZ2-CB 3.83Å; W261-M315 HydrophobicContact CZ2-CG 3.73Å; W261-M315 HydrophobicContact CZ3-CB 3.79Å; W261-M315 HydrophobicContact CZ3-CE 4.31Å; W261-M315 HydrophobicContact CZ3-CG 4.33Å; W261-M315 WeakPolarHBondContact CZ3-O 3.41Å; L300-M315 HydrophobicContact CD1-CB 4.4Å; L300-M315 HydrophobicContact CD2-CB 4.43Å; L300-M315 HydrophobicContact CD2-CE 3.84Å; E311-M315 HydrophobicContact CG-SD 4.41Å; E311-M315 VanDerWaalsContact O-CG 3.23Å; E311-M315 WeakPolarHBondContact O-CG 3.49Å; E311-M315 PolarHBondContact O-N 3.41Å; L312-M315 HydrophobicContact CD2-CE 4.23Å; L312-M315 HydrophobicContact CD2-SD 4Å; L312-M315 WeakPolarHBondContact O-CB 3.17Å; L312-M315 PolarHBondContact O-N 3.34Å; M315-E318 PolarHBondContact O-N 2.95Å; M315-A319 WeakPolarHBondContact O-CB 3.38Å; M315-A319 PolarHBondContact O-N 3.19Å
316	F	97.7	Very high	96	Very high	1 Å²	1	29.7 Å²	29.7	0%	0.004	16%	0.161	C	C	.	.	H	α-helix	trans	-60	-47.9	174.2	175.6	-102.9	0	0	0	112	F297 L300 H301 L312 G313 Q314 E318 A319 L320 W366 V369 H373	F297-F316 VanDerWaalsContact O-CD2 3.24Å; F297-F316 WeakPolarHBondContact O-CD2 3.39Å; L300-F316 HydrophobicContact CB-CB 3.86Å; L300-F316 HydrophobicContact CB-CD2 4.37Å; H301-F316 HydrophobicContact CB-CB 4.36Å; H301-F316 HydrophobicContact CB-CD1 3.94Å; H301-F316 HydrophobicContact CB-CD2 3.69Å; H301-F316 HydrophobicContact CB-CE1 4.15Å; H301-F316 HydrophobicContact CB-CE2 3.89Å; H301-F316 HydrophobicContact CB-CG 3.7Å; H301-F316 HydrophobicContact CB-CZ 4.12Å; H301-F316 AromaticContact CG-CD1 3.9Å; H301-F316 AromaticContact CG-CE1 3.93Å; H301-F316 AromaticContact ND1-CD1 3.49Å; H301-F316 WeakPolarHBondContact ND1-CD1 3.29Å; H301-F316 AromaticContact ND1-CE1 3.75Å; L312-F316 PolarHBondContact O-N 2.99Å; G313-F316 PolarHBondContact O-N 3.03Å; Q314-F316 VanDerWaalsContact C-N 3.33Å; Q314-F316 PolarHBondContact O-N 3.03Å; F316-E318 VanDerWaalsContact C-N 3.32Å; F316-E318 PolarHBondContact O-N 3.06Å; F316-A319 PolarHBondContact O-N 3.34Å; F316-L320 HydrophobicContact CE1-CB 4.46Å; F316-L320 HydrophobicContact CE1-CD2 4.09Å; F316-L320 HydrophobicContact CZ-CD2 4.4Å; F316-L320 WeakPolarHBondContact O-CB 3.45Å; F316-L320 PolarHBondContact O-N 3.23Å; F316-W366 HydrophobicContact CE2-CH2 4.18Å; F316-W366 HydrophobicContact CE2-CZ3 4.41Å; F316-W366 HydrophobicContact CZ-CH2 4.45Å; F316-V369 HydrophobicContact CE2-CG1 3.72Å; F316-V369 HydrophobicContact CZ-CG1 3.74Å; F316-H373 HydrophobicContact CE1-CB 3.92Å; F316-H373 AromaticContact CE1-CG 3.65Å; F316-H373 AromaticContact CE1-ND1 3.48Å; F316-H373 WeakPolarHBondContact CE1-ND1 3.24Å; F316-H373 HydrophobicContact CZ-CB 4.32Å
317	Y	96.8	Very high	96	Very high	133 Å²	133	29.7 Å²	29.7	52%	0.522	16%	0.161	S	C	.	.	H	α-helix	trans	-59.2	-42	179.5	179.4	-95.2	0	0	0	112.5	G313 Q314 L320 S321	G313-Y317 PolarHBondContact O-N 3.16Å; Q314-Y317 PolarHBondContact O-N 3.33Å; Y317-L320 PolarHBondContact O-N 3.17Å; Y317-S321 PolarHBondContact O-N 3.45Å
318	E	97.1	Very high	95.8	Very high	35 Å²	35	31.2 Å²	31.2	16%	0.164	17%	0.166	C	C	.	.	H	α-helix	trans	-64	-45.7	175.3	-76.7	176.2	-150.9	0	0	112.1	W261 R264 Q314 M315 F316 L320 S321 S322 V537	W261-E318 HydrophobicContact CH2-CB 3.97Å; W261-E318 HydrophobicContact CZ2-CB 4.13Å; R264-E318 IonicContact NH2-OE2 2.74Å; Q314-E318 PolarHBondContact NE2-OE1 3.39Å; Q314-E318 PolarHBondContact O-N 2.86Å; M315-E318 PolarHBondContact O-N 2.95Å; F316-E318 VanDerWaalsContact C-N 3.32Å; F316-E318 PolarHBondContact O-N 3.06Å; E318-L320 VanDerWaalsContact C-N 3.34Å; E318-L320 PolarHBondContact O-N 2.83Å; E318-S321 PolarHBondContact O-N 3.45Å; E318-S322 PolarHBondContact O-N 3.39Å; E318-S322 VanDerWaalsContact O-N 3.09Å; E318-S322 PolarHBondContact O-OG 2.91Å; E318-V537 WeakPolarHBondContact OE1-CG1 3.38Å
319	A	97.6	Very high	95.7	Very high	3 Å²	3	31.1 Å²	31.1	3%	0.025	16%	0.158	C	C	.	.	H	α-helix	trans	-60.9	-43.7	176.1	0	0	0	0	0	111.6	W261 F297 M315 F316 S321 S322 I323	W261-A319 HydrophobicContact CH2-CB 4.44Å; W261-A319 HydrophobicContact CZ3-CB 4.29Å; F297-A319 HydrophobicContact CD1-CB 3.89Å; F297-A319 HydrophobicContact CE1-CB 4Å; M315-A319 WeakPolarHBondContact O-CB 3.38Å; M315-A319 PolarHBondContact O-N 3.19Å; F316-A319 PolarHBondContact O-N 3.34Å; A319-S321 VanDerWaalsContact C-N 3.33Å; A319-S321 PolarHBondContact O-N 2.89Å; A319-S322 PolarHBondContact O-N 2.88Å; A319-I323 WeakPolarHBondContact O-CB 3.43Å; A319-I323 WeakPolarHBondContact O-CD1 3.5Å; A319-I323 VanDerWaalsContact O-CG1 3.25Å; A319-I323 WeakPolarHBondContact O-CG1 3.39Å; A319-I323 PolarHBondContact O-N 3.12Å
320	L	96.6	Very high	95.3	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-59.3	-43.4	176.4	178.1	61.6	0	0	0	111.5	F316 Y317 E318 S322 I323 Q324 W366 L370 H373	F316-L320 HydrophobicContact CE1-CB 4.46Å; F316-L320 HydrophobicContact CE1-CD2 4.09Å; F316-L320 HydrophobicContact CZ-CD2 4.4Å; F316-L320 WeakPolarHBondContact O-CB 3.45Å; F316-L320 PolarHBondContact O-N 3.23Å; Y317-L320 PolarHBondContact O-N 3.17Å; E318-L320 VanDerWaalsContact C-N 3.34Å; E318-L320 PolarHBondContact O-N 2.83Å; L320-S322 PolarHBondContact O-N 3.26Å; L320-I323 PolarHBondContact O-N 3Å; L320-Q324 HydrophobicContact CD1-CG 4.09Å; L320-Q324 HydrophobicContact CG-CG 4.44Å; L320-Q324 WeakPolarHBondContact O-CB 3.19Å; L320-Q324 WeakPolarHBondContact O-CG 3Å; L320-Q324 PolarHBondContact O-N 2.98Å; L320-W366 HydrophobicContact CD1-CH2 4.16Å; L320-W366 HydrophobicContact CD1-CZ2 3.63Å; L320-L370 HydrophobicContact CD1-CD2 4.08Å; L320-H373 WeakPolarHBondContact CD2-CD2 3.44Å; L320-H373 WeakPolarHBondContact CD2-NE2 3.41Å
321	S	96.2	Very high	94.8	Very high	39 Å²	39	28.6 Å²	28.6	27%	0.273	15%	0.153	S	C	.	.	H	α-helix	trans	-61.5	-42.7	176.6	-175.7	0	0	0	0	112.2	Y317 E318 A319 S325 N544	Y317-S321 PolarHBondContact O-N 3.45Å; E318-S321 PolarHBondContact O-N 3.45Å; A319-S321 VanDerWaalsContact C-N 3.33Å; A319-S321 PolarHBondContact O-N 2.89Å; S321-S325 VanDerWaalsContact O-CB 3.31Å; S321-S325 WeakPolarHBondContact O-CB 3.45Å; S321-S325 PolarHBondContact O-N 3.25Å; S321-S325 PolarHBondContact O-OG 3.48Å; S321-N544 PolarHBondContact OG-ND2 2.9Å
322	S	96.9	Very high	94.3	Very high	4 Å²	4	31.7 Å²	31.7	3%	0.028	18%	0.176	C	C	.	.	H	α-helix	trans	-64.6	-44.3	174.2	-64.2	0	0	0	0	111.7	S268 E318 A319 L320 S325 H326 N544	S268-S322 WeakPolarHBondContact O-CB 3.05Å; S268-S322 PolarHBondContact O-OG 3.35Å; E318-S322 PolarHBondContact O-N 3.39Å; E318-S322 VanDerWaalsContact O-N 3.09Å; E318-S322 PolarHBondContact O-OG 2.91Å; A319-S322 PolarHBondContact O-N 2.88Å; L320-S322 PolarHBondContact O-N 3.26Å; S322-S325 PolarHBondContact O-N 3.31Å; S322-H326 WeakPolarHBondContact O-CB 3.36Å; S322-H326 PolarHBondContact O-CD2 3.41Å; S322-H326 PolarHBondContact O-N 3.06Å; S322-N544 PolarHBondContact OG-ND2 2.87Å; S322-N544 PolarHBondContact OG-OD1 3.34Å
323	I	97.1	Very high	93.7	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-58.8	-50.1	176.6	-73	159.5	0	0	0	111	L289 F297 A319 L320 S325 H326 L327 R328 Y344 W366	L289-I323 HydrophobicContact CD1-CG2 4.07Å; L289-I323 HydrophobicContact CD2-CD1 3.8Å; L289-I323 HydrophobicContact CD2-CG1 4.23Å; L289-I323 HydrophobicContact CD2-CG2 4.12Å; F297-I323 HydrophobicContact CD1-CD1 3.86Å; F297-I323 HydrophobicContact CD2-CD1 4.22Å; F297-I323 HydrophobicContact CE1-CD1 3.85Å; F297-I323 HydrophobicContact CE2-CD1 4.2Å; F297-I323 HydrophobicContact CG-CD1 4.05Å; F297-I323 HydrophobicContact CZ-CD1 4.02Å; A319-I323 WeakPolarHBondContact O-CB 3.43Å; A319-I323 WeakPolarHBondContact O-CD1 3.5Å; A319-I323 VanDerWaalsContact O-CG1 3.25Å; A319-I323 WeakPolarHBondContact O-CG1 3.39Å; A319-I323 PolarHBondContact O-N 3.12Å; L320-I323 PolarHBondContact O-N 3Å; I323-S325 VanDerWaalsContact C-N 3.26Å; I323-S325 PolarHBondContact O-N 2.92Å; I323-H326 PolarHBondContact O-N 2.9Å; I323-L327 HydrophobicContact CG2-CB 4.4Å; I323-L327 HydrophobicContact CG2-CD2 4.33Å; I323-L327 WeakPolarHBondContact O-CB 3.29Å; I323-L327 PolarHBondContact O-N 3.21Å; I323-R328 PolarHBondContact O-N 2.88Å; I323-Y344 HydrophobicContact CG2-CD1 3.74Å; I323-Y344 HydrophobicContact CG2-CE1 3.72Å; I323-W366 HydrophobicContact CD1-CH2 3.81Å; I323-W366 HydrophobicContact CD1-CZ2 4.15Å; I323-W366 HydrophobicContact CG2-CZ2 4.05Å
324	Q	94.1	Very high	93.1	Very high	70 Å²	70	36.7 Å²	36.7	33%	0.327	20%	0.196	S	C	.	.	H	α-helix	trans	-63.9	-30.7	177.9	-73.4	178.5	-20.3	0	0	112.6	L320 R328 D375	L320-Q324 HydrophobicContact CD1-CG 4.09Å; L320-Q324 HydrophobicContact CG-CG 4.44Å; L320-Q324 WeakPolarHBondContact O-CB 3.19Å; L320-Q324 WeakPolarHBondContact O-CG 3Å; L320-Q324 PolarHBondContact O-N 2.98Å; Q324-R328 WeakPolarHBondContact O-CB 3.24Å; Q324-D375 PolarHBondContact NE2-OD2 2.87Å
325	S	94.5	Very high	92.2	Very high	39 Å²	39	33.8 Å²	33.8	27%	0.273	18%	0.183	S	C	.	.	H	α-helix	trans	-77.2	-32.1	180	-63.6	0	0	0	0	113.4	S321 S322 I323	S321-S325 VanDerWaalsContact O-CB 3.31Å; S321-S325 WeakPolarHBondContact O-CB 3.45Å; S321-S325 PolarHBondContact O-N 3.25Å; S321-S325 PolarHBondContact O-OG 3.48Å; S322-S325 PolarHBondContact O-N 3.31Å; I323-S325 VanDerWaalsContact C-N 3.26Å; I323-S325 PolarHBondContact O-N 2.92Å
326	H	95.7	Very high	91.2	Very high	15 Å²	15	36.5 Å²	36.5	7%	0.069	20%	0.202	C	C	.	.	H	α-helix	trans	-116.3	-41.5	-168.1	-63.3	-62.1	0	0	0	114.7	S268 L270 S322 I323 I545	S268-H326 PolarHBondContact O-CD2 3.4Å; S268-H326 PolarHBondContact O-NE2 3.35Å; L270-H326 HydrophobicContact CD1-CB 3.78Å; S322-H326 WeakPolarHBondContact O-CB 3.36Å; S322-H326 PolarHBondContact O-CD2 3.41Å; S322-H326 PolarHBondContact O-N 3.06Å; I323-H326 PolarHBondContact O-N 2.9Å; H326-I545 PolarHBondContact CE1-O 3.29Å
327	L	97	Very high	90	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-38.4	-176.9	-76.5	64.3	0	0	0	110.7	L270 L289 I323 Y344 W345 V347	L270-L327 HydrophobicContact CD1-CD1 3.82Å; L270-L327 HydrophobicContact CD2-CD1 3.65Å; L270-L327 HydrophobicContact CG-CD1 4.41Å; L289-L327 HydrophobicContact CD1-CD2 4.44Å; L289-L327 HydrophobicContact CD2-CD2 4.42Å; L289-L327 HydrophobicContact CG-CD2 3.96Å; I323-L327 HydrophobicContact CG2-CB 4.4Å; I323-L327 HydrophobicContact CG2-CD2 4.33Å; I323-L327 WeakPolarHBondContact O-CB 3.29Å; I323-L327 PolarHBondContact O-N 3.21Å; L327-Y344 HydrophobicContact CB-CD1 4.14Å; L327-Y344 WeakPolarHBondContact O-CA 3.49Å; L327-W345 VanDerWaalsContact CG-O 3.23Å; L327-W345 WeakPolarHBondContact CG-O 3.29Å; L327-W345 PolarHBondContact O-N 2.85Å; L327-V347 HydrophobicContact CD1-CG2 3.56Å; L327-V347 HydrophobicContact CG-CG2 4.04Å
328	R	94.4	Very high	88.9	Confident	42 Å²	42	37.9 Å²	37.9	16%	0.158	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	126.8	-176.5	-168.5	-169.8	174.7	-81.6	11.8	111.9	I323 Q324 R331 P332 P342 I343 Y344 E378	I323-R328 PolarHBondContact O-N 2.88Å; Q324-R328 WeakPolarHBondContact O-CB 3.24Å; R328-R331 PolarHBondContact NH1-O 2.9Å; R328-R331 VanDerWaalsContact NH1-O 3.17Å; R328-R331 PolarHBondContact NH2-O 3.35Å; R328-P332 PolarHBondContact NH2-O 3.46Å; R328-P342 HydrophobicContact CG-CB 4.3Å; R328-P342 VanDerWaalsContact NH2-CG 3.33Å; R328-I343 WeakPolarHBondContact CA-O 3.31Å; R328-Y344 HydrophobicContact CB-CD1 3.95Å; R328-Y344 HydrophobicContact CB-CE1 3.68Å; R328-Y344 HydrophobicContact CG-CE1 4.05Å; R328-Y344 HydrophobicContact CG-CE2 4.25Å; R328-E378 IonicContact CZ-OE1 3.86Å; R328-E378 IonicContact CZ-OE2 3.73Å; R328-E378 VanDerWaalsContact NE-CD 3.25Å; R328-E378 IonicContact NE-OE1 2.68Å; R328-E378 PolarHBondContact NE-OE1 3.28Å; R328-E378 IonicContact NE-OE2 2.65Å; R328-E378 PolarHBondContact NE-OE2 3.14Å; R328-E378 IonicContact NH2-OE1 3.25Å; R328-E378 PolarHBondContact NH2-OE1 2.92Å; R328-E378 IonicContact NH2-OE2 2.68Å; R328-E378 PolarHBondContact NH2-OE2 3.12Å
329	T	91.2	Very high	87.8	Confident	35 Å²	35	39 Å²	39	22%	0.215	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	-172.8	171.6	63.2	0	0	0	0	110.7	P342 I343 W345	T329-P342 WeakPolarHBondContact O-CA 3.31Å; T329-I343 PolarHBondContact N-O 3.16Å; T329-I343 PolarHBondContact O-N 2Å; T329-I343 PolarHBondContact OG1-O 3.3Å; T329-W345 VanDerWaalsContact OG1-CD1 3.22Å; T329-W345 PolarHBondContact OG1-NE1 3.25Å
330	G	85.9	Confident	86.8	Confident	42 Å²	42	40.5 Å²	40.5	43%	0.433	27%	0.27	S	S	.	.	S	Bend	trans	91.2	-164.9	-177.7	0	0	0	0	0	112.2	S340	G330-S340 WeakPolarHBondContact CA-O 3.4Å
331	R	82.9	Confident	85.7	Confident	15 Å²	15	40.3 Å²	40.3	6%	0.057	27%	0.269	C	S	.	.			trans	-63.2	148.4	-178	59	-178.9	-178.9	-154.6	-5.7	112.1	R328 Q333 C334 S336 G337 S340	R328-R331 PolarHBondContact NH1-O 2.9Å; R328-R331 VanDerWaalsContact NH1-O 3.17Å; R328-R331 PolarHBondContact NH2-O 3.35Å; R331-Q333 WeakPolarHBondContact CD-O 3.48Å; R331-Q333 VanDerWaalsContact CG-O 3.25Å; R331-Q333 WeakPolarHBondContact CG-O 3.43Å; R331-Q333 PolarHBondContact NE-O 3.1Å; R331-C334 PolarHBondContact NE-O 2.87Å; R331-C334 PolarHBondContact NH2-O 3.32Å; R331-S336 WeakPolarHBondContact CD-O 3.09Å; R331-G337 PolarHBondContact NH1-O 3.01Å; R331-S340 WeakPolarHBondContact CG-O 3.45Å; R331-S340 PolarHBondContact N-O 3.39Å
332	P	84.6	Confident	85.3	Confident	97 Å²	97	38.5 Å²	38.5	63%	0.63	26%	0.257	S	S	*	.	S	Bend	trans	-61.5	-51.5	-178.7	-23.2	33.6	0	0	0	112.4	R328	R328-P332 PolarHBondContact NH2-O 3.46Å
333	Q	83.3	Confident	85	Confident	113 Å²	113	38.5 Å²	38.5	53%	0.528	26%	0.256	S	S	.	.	S	Bend	trans	-87.6	118.9	174.6	-66.9	73.2	35.6	0	0	109.7	R331 L335 S336	R331-Q333 WeakPolarHBondContact CD-O 3.48Å; R331-Q333 VanDerWaalsContact CG-O 3.25Å; R331-Q333 WeakPolarHBondContact CG-O 3.43Å; R331-Q333 PolarHBondContact NE-O 3.1Å; Q333-L335 PolarHBondContact O-N 3.24Å; Q333-S336 WeakPolarHBondContact CB-OG 3.19Å
334	C	82.5	Confident	84.9	Confident	4 Å²	4	38.5 Å²	38.5	3%	0.027	26%	0.256	C	S	.	.	S	Bend	trans	-54.6	-48.6	-179	144.9	0	0	0	0	113.2	R331 P342 N377 E378 C381	R331-C334 PolarHBondContact NE-O 2.87Å; R331-C334 PolarHBondContact NH2-O 3.32Å; C334-P342 HydrophobicContact CB-CG 3.91Å; C334-N377 PolarHBondContact SG-O 2.84Å; C334-E378 WeakPolarHBondContact CB-OE1 3.35Å; C334-C381 VanDerWaalsContact CA-SG 3.51Å; C334-C381 HydrophobicContact CB-CB 3.96Å; C334-C381 WeakPolarHBondContact CB-SG 3.44Å; C334-C381 PolarHBondContact O-SG 3.3Å; C334-C381 WeakPolarHBondContact SG-CB 2.95Å; C334-C381 CovalentContact SG-SG 2Å; C334-C381 PolarHBondContact SG-SG 3.03Å
335	L	77.8	Confident	85.1	Confident	18 Å²	18	35.7 Å²	35.7	9%	0.094	24%	0.243	C	C	.	.	S	Bend	trans	-91.8	-11.4	-171.1	-58.1	-178.3	0	0	0	114.8	Q333 N377 I380 I566 H567 F570	Q333-L335 PolarHBondContact O-N 3.24Å; L335-N377 HydrophobicContact CD1-CB 4.16Å; L335-N377 WeakPolarHBondContact CD1-OD1 3.09Å; L335-N377 HydrophobicContact CG-CB 4.18Å; L335-I380 HydrophobicContact CD2-CB 4.3Å; L335-I380 HydrophobicContact CD2-CG2 3.82Å; L335-I566 HydrophobicContact CB-CG2 4.42Å; L335-I566 HydrophobicContact CD2-CG2 3.33Å; L335-I566 HydrophobicContact CG-CG2 4.45Å; L335-H567 PolarHBondContact O-ND1 2.92Å; L335-F570 HydrophobicContact CD1-CB 3.71Å; L335-F570 HydrophobicContact CD2-CB 3.84Å; L335-F570 HydrophobicContact CD2-CD2 4.33Å; L335-F570 HydrophobicContact CD2-CG 4.3Å; L335-F570 HydrophobicContact CG-CB 4.3Å
336	S	76.2	Confident	85.2	Confident	57 Å²	57	33.9 Å²	33.9	40%	0.399	23%	0.23	S	C	.	.	S	Bend	trans	-138	161.6	-172.2	63.4	0	0	0	0	112.4	R331 Q333	R331-S336 WeakPolarHBondContact CD-O 3.09Å; Q333-S336 WeakPolarHBondContact CB-OG 3.19Å
337	G	71.5	Confident	85.3	Confident	48 Å²	48	33.3 Å²	33.3	50%	0.495	23%	0.227	S	C	.	.	S	Bend	trans	86.2	177.7	-177.4	0	0	0	0	0	114.5	R331	R331-G337 PolarHBondContact NH1-O 3.01Å
338	S	74.1	Confident	85.4	Confident	114 Å²	114	34.8 Å²	34.8	80%	0.797	24%	0.235	S	C	*	.	S	Bend	trans	-98.4	149	-174.7	56	0	0	0	0	112.6
339	G	73.8	Confident	85.5	Confident	58 Å²	58	32.8 Å²	32.8	60%	0.598	23%	0.228	S	C	*	.	S	Bend	trans	116	179.2	178.3	0	0	0	0	0	112.6
340	S	76.8	Confident	85.7	Confident	35 Å²	35	34.9 Å²	34.9	25%	0.245	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-63.8	143.6	178.4	-54.8	0	0	0	0	111.1	G330 R331	G330-S340 WeakPolarHBondContact CA-O 3.4Å; R331-S340 WeakPolarHBondContact CG-O 3.45Å; R331-S340 PolarHBondContact N-O 3.39Å
341	P	74.3	Confident	86.1	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.006	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-62.8	163	172.7	30.7	-36.9	0	0	0	111.1	W559 T562 I566	P341-W559 HydrophobicContact CG-CD2 4.37Å; P341-W559 HydrophobicContact CG-CE3 3.21Å; P341-W559 HydrophobicContact CG-CZ3 3.43Å; P341-W559 VanDerWaalsContact CG-CZ3 3.43Å; P341-T562 HydrophobicContact CB-CG2 4.47Å; P341-T562 HydrophobicContact CG-CG2 3.96Å; P341-I566 HydrophobicContact CB-CD1 4.08Å
342	P	86.6	Confident	86.7	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.006	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-63.6	141.3	-178.5	-23.4	34.6	0	0	0	114.1	R328 T329 C334 C381	R328-P342 HydrophobicContact CG-CB 4.3Å; R328-P342 VanDerWaalsContact NH2-CG 3.33Å; T329-P342 WeakPolarHBondContact O-CA 3.31Å; C334-P342 HydrophobicContact CB-CG 3.91Å; P342-C381 HydrophobicContact CG-CB 4.26Å
343	I	91.2	Very high	87.2	Confident	4 Å²	4	33.7 Å²	33.7	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	136	174.2	-59.4	170	0	0	0	107.8	R328 T329 W345 I402 M554 W559	R328-I343 WeakPolarHBondContact CA-O 3.31Å; T329-I343 PolarHBondContact N-O 3.16Å; T329-I343 PolarHBondContact O-N 2Å; T329-I343 PolarHBondContact OG1-O 3.3Å; I343-W345 HydrophobicContact CB-CZ2 4.24Å; I343-W345 HydrophobicContact CD1-CH2 4.38Å; I343-W345 HydrophobicContact CD1-CZ2 3.87Å; I343-W345 HydrophobicContact CG2-CD2 3.97Å; I343-W345 HydrophobicContact CG2-CE3 4.37Å; I343-W345 HydrophobicContact CG2-CG 4.43Å; I343-W345 HydrophobicContact CG2-CH2 4.28Å; I343-W345 HydrophobicContact CG2-CZ2 3.85Å; I343-I402 HydrophobicContact CD1-CD1 4.2Å; I343-I402 HydrophobicContact CD1-CG2 4.22Å; I343-I402 HydrophobicContact CG2-CD1 3.69Å; I343-M554 HydrophobicContact CD1-CE 3.29Å; I343-M554 HydrophobicContact CD1-SD 3.52Å; I343-M554 VanDerWaalsContact CD1-SD 3.52Å; I343-W559 HydrophobicContact CD1-CH2 3.45Å; I343-W559 VanDerWaalsContact CD1-CH2 3.45Å; I343-W559 HydrophobicContact CD1-CZ2 3.61Å; I343-W559 HydrophobicContact CD1-CZ3 4.11Å; I343-W559 HydrophobicContact CG1-CH2 3.88Å; I343-W559 HydrophobicContact CG1-CZ3 4.33Å
344	Y	95.7	Very high	87.7	Confident	1 Å²	1	30.2 Å²	30.2	0%	0.004	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	108.2	173.1	-67.4	-99.4	0	0	0	109.2	L289 I323 L327 R328 Q363 W366 H382	L289-Y344 HydrophobicContact CD1-CD1 3.64Å; L289-Y344 HydrophobicContact CD1-CE1 4.42Å; L289-Y344 HydrophobicContact CD1-CG 3.75Å; I323-Y344 HydrophobicContact CG2-CD1 3.74Å; I323-Y344 HydrophobicContact CG2-CE1 3.72Å; L327-Y344 HydrophobicContact CB-CD1 4.14Å; L327-Y344 WeakPolarHBondContact O-CA 3.49Å; R328-Y344 HydrophobicContact CB-CD1 3.95Å; R328-Y344 HydrophobicContact CB-CE1 3.68Å; R328-Y344 HydrophobicContact CG-CE1 4.05Å; R328-Y344 HydrophobicContact CG-CE2 4.25Å; Y344-Q363 PolarHBondContact O-NE2 3.45Å; Y344-W366 AromaticContact CE1-NE1 3.89Å; Y344-W366 AromaticContact CZ-NE1 3.83Å; Y344-H382 AromaticContact CD2-CD2 3.59Å
345	W	96.5	Very high	88.4	Confident	10 Å²	10	33.2 Å²	33.2	4%	0.038	22%	0.218	C	C	.	.			trans	-87.9	156	-178.1	-62	96.2	0	0	0	112	L327 T329 I343 V347 K354 H357 I402 M554	L327-W345 VanDerWaalsContact CG-O 3.23Å; L327-W345 WeakPolarHBondContact CG-O 3.29Å; L327-W345 PolarHBondContact O-N 2.85Å; T329-W345 VanDerWaalsContact OG1-CD1 3.22Å; T329-W345 PolarHBondContact OG1-NE1 3.25Å; I343-W345 HydrophobicContact CB-CZ2 4.24Å; I343-W345 HydrophobicContact CD1-CH2 4.38Å; I343-W345 HydrophobicContact CD1-CZ2 3.87Å; I343-W345 HydrophobicContact CG2-CD2 3.97Å; I343-W345 HydrophobicContact CG2-CE3 4.37Å; I343-W345 HydrophobicContact CG2-CG 4.43Å; I343-W345 HydrophobicContact CG2-CH2 4.28Å; I343-W345 HydrophobicContact CG2-CZ2 3.85Å; W345-V347 HydrophobicContact CB-CG1 4.34Å; W345-K354 HydrophobicContact CB-CD 4.39Å; W345-K354 HydrophobicContact CB-CG 4.2Å; W345-K354 VanDerWaalsContact CD1-CE 3.47Å; W345-K354 HydrophobicContact CD2-CD 4.03Å; W345-K354 HydrophobicContact CE3-CD 4.49Å; W345-K354 HydrophobicContact CG-CD 3.96Å; W345-K354 HydrophobicContact CG-CG 4.29Å; W345-H357 HydrophobicContact CZ3-CB 4.08Å; W345-I402 HydrophobicContact CH2-CB 3.83Å; W345-I402 HydrophobicContact CH2-CD1 4.08Å; W345-I402 HydrophobicContact CH2-CG2 3.71Å; W345-I402 HydrophobicContact CZ3-CB 4.04Å; W345-I402 HydrophobicContact CZ3-CD1 4.09Å; W345-I402 HydrophobicContact CZ3-CG2 4.42Å; W345-M554 HydrophobicContact CH2-CE 4.29Å; W345-M554 HydrophobicContact CZ2-CE 4.27Å
346	N	97.9	Very high	89.3	Confident	2 Å²	2	33.3 Å²	33.3	1%	0.011	22%	0.219	C	C	.	.			trans	-74.6	124.2	161.6	-61.3	-44.3	0	0	0	109.7	M286 S287 G288 K354 V355 N356 W358	M286-N346 HydrophobicContact CG-CB 3.97Å; M286-N346 HydrophobicContact SD-CB 3.95Å; S287-N346 WeakPolarHBondContact O-CA 3.14Å; G288-N346 WeakPolarHBondContact CA-OD1 3.4Å; N346-K354 WeakPolarHBondContact O-CA 3.42Å; N346-V355 HydrophobicContact CB-CG2 3.82Å; N346-V355 WeakPolarHBondContact O-CG2 3.33Å; N346-V355 PolarHBondContact O-N 3.44Å; N346-N356 WeakPolarHBondContact CB-ND2 3.27Å; N346-N356 WeakPolarHBondContact CB-OD1 3.36Å; N346-N356 PolarHBondContact ND2-ND2 3.07Å; N346-N356 PolarHBondContact ND2-OD1 3.39Å; N346-W358 VanDerWaalsContact ND2-CZ3 3.34Å; N346-W358 WeakPolarHBondContact ND2-CZ3 3.37Å; N346-W358 PolarHBondContact ND2-O 2.88Å; N346-W358 VanDerWaalsContact ND2-O 3.08Å
347	V	97.9	Very high	90.2	Very high	2 Å²	2	33 Å²	33	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	165.8	-178.4	-57.4	0	0	0	0	111.8	L270 M286 S287 L327 W345 N353	L270-V347 HydrophobicContact CD1-CG2 3.78Å; M286-V347 CarbonylContact C-O 3.59Å; M286-V347 WeakPolarHBondContact CA-O 3.21Å; S287-V347 PolarHBondContact N-O 2.87Å; S287-V347 PolarHBondContact O-N 3Å; L327-V347 HydrophobicContact CD1-CG2 3.56Å; L327-V347 HydrophobicContact CG-CG2 4.04Å; W345-V347 HydrophobicContact CB-CG1 4.34Å; V347-N353 CarbonylContact C-O 3.58Å; V347-N353 WeakPolarHBondContact CA-O 3.41Å; V347-N353 WeakPolarHBondContact CB-O 3.14Å
348	D	97.9	Very high	91.4	Very high	31 Å²	31	32 Å²	32	17%	0.166	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	130.3	168.2	167.7	-97.6	0	0	0	109.1	R285 Y350 S351 G352 N353 V355	R285-D348 WeakPolarHBondContact CB-OD2 3.29Å; D348-Y350 PolarHBondContact O-N 3.4Å; D348-Y350 VanDerWaalsContact O-N 3.13Å; D348-Y350 PolarHBondContact OD1-N 2.8Å; D348-Y350 VanDerWaalsContact OD1-N 3.14Å; D348-S351 WeakPolarHBondContact CB-OG 3.37Å; D348-S351 PolarHBondContact O-N 2.68Å; D348-S351 WeakPolarHBondContact OD1-CB 3.29Å; D348-S351 PolarHBondContact OD1-N 3.37Å; D348-S351 PolarHBondContact OD1-OG 2.91Å; D348-G352 WeakPolarHBondContact O-CA 3.27Å; D348-G352 PolarHBondContact O-N 3.23Å; D348-N353 PolarHBondContact N-O 2.89Å; D348-V355 HydrophobicContact CB-CG1 3.83Å
349	M	97	Very high	92.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-26.5	-172.8	71.5	179	-73.8	0	0	113.6	S268 L270 G272 W282 R285	S268-M349 WeakPolarHBondContact CB-O 3.14Å; S268-M349 PolarHBondContact OG-O 3.28Å; L270-M349 HydrophobicContact CB-CB 3.99Å; L270-M349 VanDerWaalsContact O-CE 3.24Å; L270-M349 WeakPolarHBondContact O-CE 3.44Å; G272-M349 PolarHBondContact N-SD 3.48Å; W282-M349 HydrophobicContact CB-SD 3.88Å; W282-M349 HydrophobicContact CD2-CE 4.47Å; W282-M349 HydrophobicContact CD2-SD 4.15Å; W282-M349 HydrophobicContact CG-CE 4.05Å; W282-M349 HydrophobicContact CG-SD 3.53Å; W282-M349 VanDerWaalsContact CG-SD 3.53Å; R285-M349 HydrophobicContact CB-CG 4.12Å; R285-M349 HydrophobicContact CB-SD 4.45Å; R285-M349 HydrophobicContact CG-SD 4.49Å; R285-M349 WeakPolarHBondContact O-CB 3.4Å; R285-M349 PolarHBondContact O-N 3.22Å
350	Y	95.8	Very high	93.5	Very high	80 Å²	80	24.1 Å²	24.1	31%	0.314	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-40.6	-177.7	-64.8	-71.1	0	0	0	112.7	R285 D348 L547	R285-Y350 HydrophobicContact CG-CD2 4.49Å; R285-Y350 HydrophobicContact CG-CE2 4.18Å; D348-Y350 PolarHBondContact O-N 3.4Å; D348-Y350 VanDerWaalsContact O-N 3.13Å; D348-Y350 PolarHBondContact OD1-N 2.8Å; D348-Y350 VanDerWaalsContact OD1-N 3.14Å; Y350-L547 VanDerWaalsContact O-CD1 3.26Å; Y350-L547 WeakPolarHBondContact O-CD1 3.48Å
351	S	95.2	Very high	94.5	Very high	42 Å²	42	22.8 Å²	22.8	29%	0.294	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-17.5	-172.7	64.2	0	0	0	0	114.3	D348 N353 L547	D348-S351 WeakPolarHBondContact CB-OG 3.37Å; D348-S351 PolarHBondContact O-N 2.68Å; D348-S351 WeakPolarHBondContact OD1-CB 3.29Å; D348-S351 PolarHBondContact OD1-N 3.37Å; D348-S351 PolarHBondContact OD1-OG 2.91Å; S351-N353 WeakPolarHBondContact CB-ND2 3.43Å; S351-N353 PolarHBondContact O-N 3.32Å; S351-N353 PolarHBondContact OG-N 2.74Å; S351-N353 PolarHBondContact OG-ND2 2.99Å; S351-L547 WeakPolarHBondContact O-CD1 3.36Å
352	G	93.5	Very high	95.6	Very high	9 Å²	9	24 Å²	24	9%	0.093	12%	0.124	C	C	.	.			trans	68.1	8.1	-174.2	0	0	0	0	0	113.8	D348	D348-G352 WeakPolarHBondContact O-CA 3.27Å; D348-G352 PolarHBondContact O-N 3.23Å
353	N	95.2	Very high	96.2	Very high	77 Å²	77	24.1 Å²	24.1	41%	0.412	13%	0.125	S	C	.	.			trans	-73.6	137.1	177	-72.2	-42.5	0	0	0	110.4	V347 D348 S351 V355	V347-N353 CarbonylContact C-O 3.58Å; V347-N353 WeakPolarHBondContact CA-O 3.41Å; V347-N353 WeakPolarHBondContact CB-O 3.14Å; D348-N353 PolarHBondContact N-O 2.89Å; S351-N353 WeakPolarHBondContact CB-ND2 3.43Å; S351-N353 PolarHBondContact O-N 3.32Å; S351-N353 PolarHBondContact OG-N 2.74Å; S351-N353 PolarHBondContact OG-ND2 2.99Å; N353-V355 PolarHBondContact O-N 2.89Å
354	K	95.2	Very high	96.5	Very high	41 Å²	41	24 Å²	24	18%	0.178	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-57.2	128.4	173.2	-61.8	-175.6	-176.5	68	0	110.1	W345 N346 S550	W345-K354 HydrophobicContact CB-CD 4.39Å; W345-K354 HydrophobicContact CB-CG 4.2Å; W345-K354 VanDerWaalsContact CD1-CE 3.47Å; W345-K354 HydrophobicContact CD2-CD 4.03Å; W345-K354 HydrophobicContact CE3-CD 4.49Å; W345-K354 HydrophobicContact CG-CD 3.96Å; W345-K354 HydrophobicContact CG-CG 4.29Å; N346-K354 WeakPolarHBondContact O-CA 3.42Å; K354-S550 PolarHBondContact NZ-O 2.76Å; K354-S550 PolarHBondContact NZ-OG 3.22Å
355	V	96.7	Very high	96.6	Very high	66 Å²	66	24.3 Å²	24.3	40%	0.4	13%	0.127	S	C	.	.			trans	-95.6	-23	177.9	-66.7	0	0	0	0	112.5	M286 N346 D348 N353	M286-V355 HydrophobicContact CB-CG2 4.2Å; M286-V355 HydrophobicContact CE-CG2 3.75Å; M286-V355 HydrophobicContact CG-CG2 3.7Å; M286-V355 HydrophobicContact SD-CG2 4.16Å; N346-V355 HydrophobicContact CB-CG2 3.82Å; N346-V355 WeakPolarHBondContact O-CG2 3.33Å; N346-V355 PolarHBondContact O-N 3.44Å; D348-V355 HydrophobicContact CB-CG1 3.83Å; N353-V355 PolarHBondContact O-N 2.89Å
356	N	96	Very high	96.7	Very high	20 Å²	20	24.1 Å²	24.1	11%	0.107	13%	0.126	C	C	.	.			trans	-154.2	-176.4	174.7	64.3	56.8	0	0	0	110.3	M286 N346 W358	M286-N356 WeakPolarHBondContact CE-ND2 3.29Å; M286-N356 PolarHBondContact SD-ND2 3.46Å; N346-N356 WeakPolarHBondContact CB-ND2 3.27Å; N346-N356 WeakPolarHBondContact CB-OD1 3.36Å; N346-N356 PolarHBondContact ND2-ND2 3.07Å; N346-N356 PolarHBondContact ND2-OD1 3.39Å; N356-W358 HydrophobicContact CB-CG 4.43Å; N356-W358 VanDerWaalsContact CG-CE2 3.48Å; N356-W358 VanDerWaalsContact CG-NE1 3.26Å; N356-W358 VanDerWaalsContact ND2-CZ2 3.34Å; N356-W358 WeakPolarHBondContact ND2-CZ2 3.19Å; N356-W358 PolarHBondContact ND2-NE1 2.98Å; N356-W358 PolarHBondContact OD1-N 3.48Å; N356-W358 PolarHBondContact OD1-O 3.22Å
357	H	95.2	Very high	96.7	Very high	51 Å²	51	24 Å²	24	24%	0.236	13%	0.126	C	C	.	.	S	Bend	trans	-126.1	16.6	179.4	-62	-62.3	0	0	0	113.2	W345 N401 I402 M403	W345-H357 HydrophobicContact CZ3-CB 4.08Å; H357-N401 WeakPolarHBondContact O-CA 3.17Å; H357-I402 PolarHBondContact O-N 2.95Å; H357-M403 HydrophobicContact CB-CB 3.87Å
358	W	96.3	Very high	96.6	Very high	26 Å²	26	23.9 Å²	23.9	10%	0.098	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	152.2	176.6	59.6	-105.1	0	0	0	111.3	M286 N346 N356 D360 R399 Y400 N401	M286-W358 HydrophobicContact CE-CZ2 4.26Å; M286-W358 HydrophobicContact SD-CH2 4.16Å; M286-W358 HydrophobicContact SD-CZ2 4Å; N346-W358 VanDerWaalsContact ND2-CZ3 3.34Å; N346-W358 WeakPolarHBondContact ND2-CZ3 3.37Å; N346-W358 PolarHBondContact ND2-O 2.88Å; N346-W358 VanDerWaalsContact ND2-O 3.08Å; N356-W358 HydrophobicContact CB-CG 4.43Å; N356-W358 VanDerWaalsContact CG-CE2 3.48Å; N356-W358 VanDerWaalsContact CG-NE1 3.26Å; N356-W358 VanDerWaalsContact ND2-CZ2 3.34Å; N356-W358 WeakPolarHBondContact ND2-CZ2 3.19Å; N356-W358 PolarHBondContact ND2-NE1 2.98Å; N356-W358 PolarHBondContact OD1-N 3.48Å; N356-W358 PolarHBondContact OD1-O 3.22Å; W358-D360 HydrophobicContact CE3-CB 4.42Å; W358-D360 HydrophobicContact CZ3-CB 4.11Å; W358-D360 WeakPolarHBondContact CZ3-OD2 3.14Å; W358-R399 HydrophobicContact CD2-CG 4.31Å; W358-R399 HydrophobicContact CE3-CG 3.9Å; W358-R399 HydrophobicContact CZ3-CG 4.29Å; W358-Y400 CarbonylContact C-O 3.6Å; W358-Y400 WeakPolarHBondContact CA-O 3.31Å; W358-N401 HydrophobicContact CB-CB 4.38Å
359	I	96.3	Very high	96.7	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.015	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	150.4	163.3	63	169.5	0	0	0	108.2	V385 I389 R399 Y400 I402	I359-V385 HydrophobicContact CD1-CG1 3.88Å; I359-I389 HydrophobicContact CD1-CD1 3.7Å; I359-I389 HydrophobicContact CG1-CD1 4.11Å; I359-R399 WeakPolarHBondContact O-CA 3.39Å; I359-Y400 PolarHBondContact N-O 3.12Å; I359-Y400 PolarHBondContact O-N 3.17Å; I359-I402 HydrophobicContact CD1-CD1 4.01Å; I359-I402 HydrophobicContact CG1-CD1 4.04Å; I359-I402 HydrophobicContact CG1-CG1 4.26Å; I359-I402 HydrophobicContact CG2-CD1 3.74Å
360	D	97.3	Very high	96.6	Very high	5 Å²	5	22.8 Å²	22.8	3%	0.027	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	169.8	175.8	59.4	38.5	0	0	0	111.9	G290 A291 W358 L362 Q363 H386 E398 R399	G290-D360 WeakPolarHBondContact CA-OD1 3.26Å; G290-D360 WeakPolarHBondContact CA-OD2 3.28Å; A291-D360 WeakPolarHBondContact CB-OD2 3.47Å; A291-D360 PolarHBondContact N-OD2 3.15Å; W358-D360 HydrophobicContact CE3-CB 4.42Å; W358-D360 HydrophobicContact CZ3-CB 4.11Å; W358-D360 WeakPolarHBondContact CZ3-OD2 3.14Å; D360-L362 VanDerWaalsContact C-N 3.34Å; D360-L362 PolarHBondContact OD1-N 2.86Å; D360-Q363 WeakPolarHBondContact O-CB 3.46Å; D360-Q363 PolarHBondContact O-N 3.12Å; D360-Q363 PolarHBondContact OD1-N 3.14Å; D360-H386 PolarHBondContact O-CE1 2.92Å; D360-E398 CarbonylContact C-O 3.57Å; D360-E398 WeakPolarHBondContact CA-O 3.22Å; D360-E398 WeakPolarHBondContact CB-O 3.4Å; D360-R399 HydrophobicContact CB-CG 3.82Å
361	T	97.1	Very high	96.5	Very high	7 Å²	7	19.7 Å²	19.7	4%	0.043	11%	0.109	C	C	.	.	S	Bend	trans	-68.7	-31.7	178.6	40.7	0	0	0	0	112.4	Q363 S364 P396 P397 E398 R415	T361-Q363 VanDerWaalsContact C-N 3.3Å; T361-Q363 PolarHBondContact O-N 2.86Å; T361-S364 VanDerWaalsContact O-CB 3.25Å; T361-S364 WeakPolarHBondContact O-CB 3.41Å; T361-S364 PolarHBondContact O-N 3.4Å; T361-S364 PolarHBondContact O-OG 2.9Å; T361-P396 HydrophobicContact CG2-CB 3.83Å; T361-P396 HydrophobicContact CG2-CG 3.79Å; T361-P397 VanDerWaalsContact CG2-O 3.28Å; T361-P397 WeakPolarHBondContact CG2-O 3.36Å; T361-E398 PolarHBondContact N-O 3.04Å; T361-E398 VanDerWaalsContact N-O 3.1Å; T361-E398 PolarHBondContact OG1-OE2 3.01Å; T361-R415 WeakPolarHBondContact OG1-CD 3.47Å; T361-R415 PolarHBondContact OG1-NE 2.89Å
362	L	98.1	Very high	96.5	Very high	26 Å²	26	20.1 Å²	20.1	14%	0.136	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-61.8	-38	175.6	-68.4	124.9	0	0	0	111.9	A291 D294 D360 S364 A365 R415 E417	A291-L362 HydrophobicContact CB-CD1 3.69Å; D294-L362 WeakPolarHBondContact OD2-CD2 3.42Å; D360-L362 VanDerWaalsContact C-N 3.34Å; D360-L362 PolarHBondContact OD1-N 2.86Å; L362-S364 PolarHBondContact O-N 3.25Å; L362-A365 WeakPolarHBondContact O-CB 3.2Å; L362-A365 PolarHBondContact O-N 3.42Å; L362-A365 VanDerWaalsContact O-N 3.09Å; L362-R415 VanDerWaalsContact CD1-CZ 3.48Å; L362-E417 WeakPolarHBondContact CD2-OE1 3.45Å
363	Q	98.1	Very high	96.5	Very high	3 Å²	3	22.6 Å²	22.6	1%	0.014	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-53.3	-26.9	174.7	176	177.9	78.7	0	0	112.5	L289 Y344 D360 T361 A365 W366 H382	L289-Q363 HydrophobicContact CB-CG 4.07Å; L289-Q363 WeakPolarHBondContact O-CA 3.47Å; Y344-Q363 PolarHBondContact O-NE2 3.45Å; D360-Q363 WeakPolarHBondContact O-CB 3.46Å; D360-Q363 PolarHBondContact O-N 3.12Å; D360-Q363 PolarHBondContact OD1-N 3.14Å; T361-Q363 VanDerWaalsContact C-N 3.3Å; T361-Q363 PolarHBondContact O-N 2.86Å; Q363-A365 PolarHBondContact O-N 3.13Å; Q363-A365 VanDerWaalsContact O-N 3.11Å; Q363-W366 WeakPolarHBondContact O-CB 3.48Å; Q363-W366 PolarHBondContact O-N 3.36Å; Q363-H382 PolarHBondContact O-CE1 3.23Å; Q363-H382 VanDerWaalsContact O-CE1 3.25Å
364	S	97.7	Very high	96.2	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.014	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-59.3	-26.3	-178.8	71.6	0	0	0	0	113.6	T361 L362 W366 S367 E417 F418 S421	T361-S364 VanDerWaalsContact O-CB 3.25Å; T361-S364 WeakPolarHBondContact O-CB 3.41Å; T361-S364 PolarHBondContact O-N 3.4Å; T361-S364 PolarHBondContact O-OG 2.9Å; L362-S364 PolarHBondContact O-N 3.25Å; S364-W366 PolarHBondContact O-N 3.1Å; S364-S367 PolarHBondContact O-N 2.98Å; S364-S367 PolarHBondContact O-OG 3.09Å; S364-E417 VanDerWaalsContact OG-C 3.28Å; S364-E417 VanDerWaalsContact OG-CB 3.25Å; S364-E417 WeakPolarHBondContact OG-CB 3.43Å; S364-F418 WeakPolarHBondContact OG-CA 3.44Å; S364-F418 PolarHBondContact OG-N 3.09Å; S364-S421 PolarHBondContact O-OG 3.21Å
365	A	98.2	Very high	96.1	Very high	7 Å²	7	20.2 Å²	20.2	6%	0.058	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-56.6	-28.2	174.2	0	0	0	0	0	112.6	L362 Q363 S367 G368 V369 E417	L362-A365 WeakPolarHBondContact O-CB 3.2Å; L362-A365 PolarHBondContact O-N 3.42Å; L362-A365 VanDerWaalsContact O-N 3.09Å; Q363-A365 PolarHBondContact O-N 3.13Å; Q363-A365 VanDerWaalsContact O-N 3.11Å; A365-S367 PolarHBondContact O-N 3.11Å; A365-S367 VanDerWaalsContact O-N 3.12Å; A365-G368 WeakPolarHBondContact O-CA 3.1Å; A365-G368 PolarHBondContact O-N 2.65Å; A365-V369 PolarHBondContact O-N 3.11Å; A365-V369 VanDerWaalsContact O-N 3.14Å; A365-E417 HydrophobicContact CB-CB 3.79Å; A365-E417 HydrophobicContact CB-CG 3.85Å
366	W	98.3	Very high	95.6	Very high	6 Å²	6	17.7 Å²	17.7	2%	0.023	10%	0.097	C	C	.	.	H	α-helix	trans	-57.8	-30.8	-179.4	-173	-115.7	0	0	0	113.1	L289 F297 F316 L320 I323 Y344 Q363 S364 G368 V369 L370	L289-W366 HydrophobicContact CD1-CB 4.41Å; L289-W366 HydrophobicContact CD1-CD2 3.77Å; L289-W366 HydrophobicContact CD1-CG 3.68Å; L289-W366 HydrophobicContact CD1-CZ2 4.44Å; L289-W366 HydrophobicContact CD2-CD2 4Å; L289-W366 HydrophobicContact CD2-CE3 3.94Å; L289-W366 HydrophobicContact CD2-CH2 4.21Å; L289-W366 HydrophobicContact CD2-CZ2 4.25Å; L289-W366 HydrophobicContact CD2-CZ3 4.06Å; L289-W366 HydrophobicContact CG-CD2 4.37Å; F297-W366 HydrophobicContact CB-CH2 4.3Å; F297-W366 HydrophobicContact CB-CZ3 3.72Å; F297-W366 HydrophobicContact CG-CZ3 4.39Å; F316-W366 HydrophobicContact CE2-CH2 4.18Å; F316-W366 HydrophobicContact CE2-CZ3 4.41Å; F316-W366 HydrophobicContact CZ-CH2 4.45Å; L320-W366 HydrophobicContact CD1-CH2 4.16Å; L320-W366 HydrophobicContact CD1-CZ2 3.63Å; I323-W366 HydrophobicContact CD1-CH2 3.81Å; I323-W366 HydrophobicContact CD1-CZ2 4.15Å; I323-W366 HydrophobicContact CG2-CZ2 4.05Å; Y344-W366 AromaticContact CE1-NE1 3.89Å; Y344-W366 AromaticContact CZ-NE1 3.83Å; Q363-W366 WeakPolarHBondContact O-CB 3.48Å; Q363-W366 PolarHBondContact O-N 3.36Å; S364-W366 PolarHBondContact O-N 3.1Å; W366-G368 VanDerWaalsContact C-N 3.29Å; W366-G368 PolarHBondContact O-N 3.19Å; W366-V369 HydrophobicContact CD2-CB 4.47Å; W366-V369 HydrophobicContact CE3-CB 3.84Å; W366-V369 HydrophobicContact CE3-CG1 3.98Å; W366-V369 HydrophobicContact CE3-CG2 4.11Å; W366-V369 HydrophobicContact CH2-CG1 4.29Å; W366-V369 HydrophobicContact CZ3-CB 4.08Å; W366-V369 HydrophobicContact CZ3-CG1 3.67Å; W366-V369 HydrophobicContact CZ3-CG2 4.47Å; W366-V369 PolarHBondContact O-N 2.94Å; W366-L370 HydrophobicContact CG-CD1 4.46Å; W366-L370 HydrophobicContact CZ2-CD2 4.24Å; W366-L370 WeakPolarHBondContact O-CG 3.32Å; W366-L370 PolarHBondContact O-N 3.28Å
367	S	97.6	Very high	95.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.3	-41.5	174.9	-26.2	0	0	0	0	110.8	S364 A365 L370 V371 A379 H382 H383	S364-S367 PolarHBondContact O-N 2.98Å; S364-S367 PolarHBondContact O-OG 3.09Å; A365-S367 PolarHBondContact O-N 3.11Å; A365-S367 VanDerWaalsContact O-N 3.12Å; S367-L370 PolarHBondContact O-N 2.68Å; S367-V371 WeakPolarHBondContact O-CG2 3.37Å; S367-V371 PolarHBondContact O-N 3.37Å; S367-A379 WeakPolarHBondContact O-CB 3.39Å; S367-H382 PolarHBondContact OG-ND1 2.68Å; S367-H383 PolarHBondContact OG-N 3.3Å
368	G	97.2	Very high	94.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.7	-44.2	173.1	0	0	0	0	0	112.7	A365 W366 L370 V371 L372 S421 L424	A365-G368 WeakPolarHBondContact O-CA 3.1Å; A365-G368 PolarHBondContact O-N 2.65Å; W366-G368 VanDerWaalsContact C-N 3.29Å; W366-G368 PolarHBondContact O-N 3.19Å; G368-L370 VanDerWaalsContact C-N 3.34Å; G368-L370 PolarHBondContact O-N 2.76Å; G368-V371 WeakPolarHBondContact O-CB 3.28Å; G368-V371 PolarHBondContact O-N 3.02Å; G368-V371 VanDerWaalsContact O-N 3.16Å; G368-L372 WeakPolarHBondContact O-CG 3.47Å; G368-L372 PolarHBondContact O-N 3.19Å; G368-S421 PolarHBondContact N-OG 3.3Å; G368-L424 VanDerWaalsContact CA-CD1 3.48Å
369	V	98.2	Very high	94.5	Very high	8 Å²	8	17.4 Å²	17.4	5%	0.048	10%	0.099	C	C	.	.	H	α-helix	trans	-60	-44.2	175	-178	0	0	0	0	111.5	E298 F316 A365 W366 V371 L372 H373	E298-V369 HydrophobicContact CB-CG2 3.85Å; E298-V369 HydrophobicContact CG-CG2 3.93Å; F316-V369 HydrophobicContact CE2-CG1 3.72Å; F316-V369 HydrophobicContact CZ-CG1 3.74Å; A365-V369 PolarHBondContact O-N 3.11Å; A365-V369 VanDerWaalsContact O-N 3.14Å; W366-V369 HydrophobicContact CD2-CB 4.47Å; W366-V369 HydrophobicContact CE3-CB 3.84Å; W366-V369 HydrophobicContact CE3-CG1 3.98Å; W366-V369 HydrophobicContact CE3-CG2 4.11Å; W366-V369 HydrophobicContact CH2-CG1 4.29Å; W366-V369 HydrophobicContact CZ3-CB 4.08Å; W366-V369 HydrophobicContact CZ3-CG1 3.67Å; W366-V369 HydrophobicContact CZ3-CG2 4.47Å; W366-V369 PolarHBondContact O-N 2.94Å; V369-V371 VanDerWaalsContact C-N 3.33Å; V369-V371 PolarHBondContact O-N 3.34Å; V369-L372 PolarHBondContact O-N 3.3Å; V369-H373 PolarHBondContact O-N 3.21Å
370	L	96.1	Very high	94.1	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-63	-37.8	175.8	-69.9	170.4	0	0	0	111.9	L320 W366 S367 G368 H373 G374 D375 E378 A379	L320-L370 HydrophobicContact CD1-CD2 4.08Å; W366-L370 HydrophobicContact CG-CD1 4.46Å; W366-L370 HydrophobicContact CZ2-CD2 4.24Å; W366-L370 WeakPolarHBondContact O-CG 3.32Å; W366-L370 PolarHBondContact O-N 3.28Å; S367-L370 PolarHBondContact O-N 2.68Å; G368-L370 VanDerWaalsContact C-N 3.34Å; G368-L370 PolarHBondContact O-N 2.76Å; L370-H373 PolarHBondContact O-N 2.96Å; L370-G374 PolarHBondContact O-N 3.35Å; L370-D375 HydrophobicContact CB-CB 4.49Å; L370-D375 HydrophobicContact CD2-CB 4.14Å; L370-D375 PolarHBondContact O-N 3.31Å; L370-E378 HydrophobicContact CD1-CB 3.9Å; L370-A379 HydrophobicContact CB-CB 3.72Å; L370-A379 HydrophobicContact CD1-CB 4.5Å
371	V	93.9	Very high	93.7	Very high	14 Å²	14	17.1 Å²	17.1	9%	0.085	10%	0.097	C	C	.	.	H	α-helix	trans	-61.5	-48.5	172.5	174	0	0	0	0	111.3	S367 G368 V369 H373 G374 L376 A379 L424 L425 A428	S367-V371 WeakPolarHBondContact O-CG2 3.37Å; S367-V371 PolarHBondContact O-N 3.37Å; G368-V371 WeakPolarHBondContact O-CB 3.28Å; G368-V371 PolarHBondContact O-N 3.02Å; G368-V371 VanDerWaalsContact O-N 3.16Å; V369-V371 VanDerWaalsContact C-N 3.33Å; V369-V371 PolarHBondContact O-N 3.34Å; V371-H373 PolarHBondContact O-N 2.74Å; V371-G374 PolarHBondContact O-N 2.96Å; V371-L376 HydrophobicContact CB-CD2 4.3Å; V371-L376 HydrophobicContact CG1-CD2 4Å; V371-L376 HydrophobicContact CG2-CD2 4.07Å; V371-A379 HydrophobicContact CG2-CB 3.74Å; V371-L424 HydrophobicContact CB-CB 4.27Å; V371-L424 HydrophobicContact CG1-CB 4.14Å; V371-L425 HydrophobicContact CG2-CD2 3.49Å; V371-L425 VanDerWaalsContact CG2-CD2 3.49Å; V371-L425 HydrophobicContact CG2-CG 3.64Å; V371-A428 HydrophobicContact CG1-CB 3.64Å
372	L	93.6	Very high	93.5	Very high	51 Å²	51	17 Å²	17	27%	0.267	10%	0.097	S	C	.	.	H	α-helix	trans	-61.8	-29.3	178.8	-68.2	173.7	0	0	0	112.2	H301 K302 G368 V369 L424	H301-L372 PolarHBondContact NE2-O 2.86Å; K302-L372 HydrophobicContact CG-CD1 4.21Å; G368-L372 WeakPolarHBondContact O-CG 3.47Å; G368-L372 PolarHBondContact O-N 3.19Å; V369-L372 PolarHBondContact O-N 3.3Å; L372-L424 HydrophobicContact CD2-CD2 4.41Å; L372-L424 HydrophobicContact CG-CD1 4.42Å
373	H	94.6	Very high	93.3	Very high	61 Å²	61	15.9 Å²	15.9	28%	0.282	9%	0.09	S	C	.	.	H	α-helix	trans	-79.5	-22.4	174.1	-174.8	59.4	0	0	0	113.5	H301 F316 L320 V369 L370 V371	H301-H373 AromaticContact CE1-ND1 3.89Å; H301-H373 WeakPolarHBondContact NE2-CA 3.39Å; H301-H373 PolarHBondContact NE2-N 3.14Å; F316-H373 HydrophobicContact CE1-CB 3.92Å; F316-H373 AromaticContact CE1-CG 3.65Å; F316-H373 AromaticContact CE1-ND1 3.48Å; F316-H373 WeakPolarHBondContact CE1-ND1 3.24Å; F316-H373 HydrophobicContact CZ-CB 4.32Å; L320-H373 WeakPolarHBondContact CD2-CD2 3.44Å; L320-H373 WeakPolarHBondContact CD2-NE2 3.41Å; V369-H373 PolarHBondContact O-N 3.21Å; L370-H373 PolarHBondContact O-N 2.96Å; V371-H373 PolarHBondContact O-N 2.74Å
374	G	89.2	Confident	92.8	Very high	31 Å²	31	15.8 Å²	15.8	32%	0.32	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.7	4	-176.3	0	0	0	0	0	115	L370 V371 L376	L370-G374 PolarHBondContact O-N 3.35Å; V371-G374 PolarHBondContact O-N 2.96Å; G374-L376 PolarHBondContact O-N 2.73Å
375	D	91.6	Very high	92.4	Very high	38 Å²	38	15.9 Å²	15.9	20%	0.203	9%	0.091	C	C	.	.			trans	-84.5	64	175.7	-164.5	-7.6	0	0	0	111.3	Q324 L370 N377 E378 A379	Q324-D375 PolarHBondContact NE2-OD2 2.87Å; L370-D375 HydrophobicContact CB-CB 4.49Å; L370-D375 HydrophobicContact CD2-CB 4.14Å; L370-D375 PolarHBondContact O-N 3.31Å; D375-N377 VanDerWaalsContact C-N 3.28Å; D375-N377 PolarHBondContact O-N 3.09Å; D375-E378 PolarHBondContact O-N 2.82Å; D375-E378 WeakPolarHBondContact OD1-CG 3.12Å; D375-E378 PolarHBondContact OD1-N 3.37Å; D375-E378 VanDerWaalsContact OD2-CG 3.28Å; D375-E378 WeakPolarHBondContact OD2-CG 3.18Å; D375-A379 WeakPolarHBondContact O-CB 3.19Å; D375-A379 PolarHBondContact O-N 3.04Å
376	L	86.7	Confident	92.2	Very high	12 Å²	12	16.2 Å²	16.2	6%	0.063	9%	0.091	C	C	.	.	H	α-helix	trans	-61.1	-35.7	-173.6	-65.3	-177	0	0	0	113	V371 G374 A379 I380 A428 I576	V371-L376 HydrophobicContact CB-CD2 4.3Å; V371-L376 HydrophobicContact CG1-CD2 4Å; V371-L376 HydrophobicContact CG2-CD2 4.07Å; G374-L376 PolarHBondContact O-N 2.73Å; L376-A379 PolarHBondContact O-N 3.19Å; L376-I380 WeakPolarHBondContact O-CB 3.18Å; L376-I380 VanDerWaalsContact O-CD1 3.29Å; L376-I380 WeakPolarHBondContact O-CD1 3.49Å; L376-I380 WeakPolarHBondContact O-CG1 3.33Å; L376-I380 PolarHBondContact O-N 2.84Å; L376-A428 HydrophobicContact CD2-CB 3.7Å; L376-I576 HydrophobicContact CD1-CB 4.37Å; L376-I576 HydrophobicContact CD1-CG2 4.2Å
377	N	86.3	Confident	91.9	Very high	76 Å²	76	15.9 Å²	15.9	41%	0.406	9%	0.09	S	C	.	.	H	α-helix	trans	-62.8	-54.8	180	-70.5	-22.6	0	0	0	109.8	C334 L335 D375 A379 I380 C381	C334-N377 PolarHBondContact SG-O 2.84Å; L335-N377 HydrophobicContact CD1-CB 4.16Å; L335-N377 WeakPolarHBondContact CD1-OD1 3.09Å; L335-N377 HydrophobicContact CG-CB 4.18Å; D375-N377 VanDerWaalsContact C-N 3.28Å; D375-N377 PolarHBondContact O-N 3.09Å; N377-A379 VanDerWaalsContact C-N 3.28Å; N377-A379 PolarHBondContact O-N 3.32Å; N377-I380 WeakPolarHBondContact O-CB 3.4Å; N377-I380 PolarHBondContact O-N 2.75Å; N377-I380 VanDerWaalsContact O-N 3.16Å; N377-C381 PolarHBondContact O-N 3.34Å; N377-C381 VanDerWaalsContact O-N 3.12Å
378	E	89.3	Confident	91.3	Very high	16 Å²	16	16.6 Å²	16.6	8%	0.075	9%	0.093	C	C	.	.	H	α-helix	trans	-59.9	-40.1	177.8	-67.7	-59	136.8	0	0	111.9	R328 C334 L370 D375 I380 C381 H382	R328-E378 IonicContact CZ-OE1 3.86Å; R328-E378 IonicContact CZ-OE2 3.73Å; R328-E378 VanDerWaalsContact NE-CD 3.25Å; R328-E378 IonicContact NE-OE1 2.68Å; R328-E378 PolarHBondContact NE-OE1 3.28Å; R328-E378 IonicContact NE-OE2 2.65Å; R328-E378 PolarHBondContact NE-OE2 3.14Å; R328-E378 IonicContact NH2-OE1 3.25Å; R328-E378 PolarHBondContact NH2-OE1 2.92Å; R328-E378 IonicContact NH2-OE2 2.68Å; R328-E378 PolarHBondContact NH2-OE2 3.12Å; C334-E378 WeakPolarHBondContact CB-OE1 3.35Å; L370-E378 HydrophobicContact CD1-CB 3.9Å; D375-E378 PolarHBondContact O-N 2.82Å; D375-E378 WeakPolarHBondContact OD1-CG 3.12Å; D375-E378 PolarHBondContact OD1-N 3.37Å; D375-E378 VanDerWaalsContact OD2-CG 3.28Å; D375-E378 WeakPolarHBondContact OD2-CG 3.18Å; E378-I380 VanDerWaalsContact C-N 3.33Å; E378-I380 PolarHBondContact O-N 2.8Å; E378-C381 PolarHBondContact O-N 2.75Å; E378-H382 VanDerWaalsContact O-CB 3.29Å; E378-H382 WeakPolarHBondContact O-CB 3.38Å; E378-H382 PolarHBondContact O-N 3.4Å
379	A	90	Very high	91	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-57.2	-45.2	175.6	0	0	0	0	0	112.2	S367 L370 V371 D375 L376 N377 H382 H383 L425	S367-A379 WeakPolarHBondContact O-CB 3.39Å; L370-A379 HydrophobicContact CB-CB 3.72Å; L370-A379 HydrophobicContact CD1-CB 4.5Å; V371-A379 HydrophobicContact CG2-CB 3.74Å; D375-A379 WeakPolarHBondContact O-CB 3.19Å; D375-A379 PolarHBondContact O-N 3.04Å; L376-A379 PolarHBondContact O-N 3.19Å; N377-A379 VanDerWaalsContact C-N 3.28Å; N377-A379 PolarHBondContact O-N 3.32Å; A379-H382 PolarHBondContact O-N 3.44Å; A379-H383 WeakPolarHBondContact O-CB 3.2Å; A379-H383 PolarHBondContact O-N 2.69Å; A379-L425 HydrophobicContact CB-CD2 3.9Å
380	I	88	Confident	90.7	Very high	2 Å²	2	17 Å²	17	1%	0.01	9%	0.094	C	C	.	.	H	α-helix	trans	-60.6	-47.6	177.4	-71.4	160.3	0	0	0	111.2	L335 L376 N377 E378 A384 L425 Y434 F570 L573	L335-I380 HydrophobicContact CD2-CB 4.3Å; L335-I380 HydrophobicContact CD2-CG2 3.82Å; L376-I380 WeakPolarHBondContact O-CB 3.18Å; L376-I380 VanDerWaalsContact O-CD1 3.29Å; L376-I380 WeakPolarHBondContact O-CD1 3.49Å; L376-I380 WeakPolarHBondContact O-CG1 3.33Å; L376-I380 PolarHBondContact O-N 2.84Å; N377-I380 WeakPolarHBondContact O-CB 3.4Å; N377-I380 PolarHBondContact O-N 2.75Å; N377-I380 VanDerWaalsContact O-N 3.16Å; E378-I380 VanDerWaalsContact C-N 3.33Å; E378-I380 PolarHBondContact O-N 2.8Å; I380-A384 WeakPolarHBondContact O-CB 3.26Å; I380-A384 PolarHBondContact O-N 3.25Å; I380-A384 VanDerWaalsContact O-N 3.09Å; I380-L425 HydrophobicContact CG1-CD2 4.02Å; I380-Y434 WeakPolarHBondContact CG1-OH 3.41Å; I380-F570 HydrophobicContact CD1-CD1 3.94Å; I380-F570 HydrophobicContact CD1-CE1 4.05Å; I380-F570 HydrophobicContact CD1-CG 4.42Å; I380-F570 HydrophobicContact CG1-CE1 4.25Å; I380-F570 HydrophobicContact CG1-CZ 4.44Å; I380-F570 HydrophobicContact CG2-CD1 4.08Å; I380-F570 HydrophobicContact CG2-CD2 3.39Å; I380-F570 HydrophobicContact CG2-CE1 3.9Å; I380-F570 HydrophobicContact CG2-CE2 3.21Å; I380-F570 HydrophobicContact CG2-CG 3.82Å; I380-F570 HydrophobicContact CG2-CZ 3.46Å; I380-F570 VanDerWaalsContact CG2-CZ 3.46Å; I380-L573 HydrophobicContact CD1-CD1 4.02Å
381	C	87.5	Confident	90.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63.9	-46.5	179.1	-84.2	0	0	0	0	112.2	C334 P342 N377 E378 A384 V385 I566	C334-C381 VanDerWaalsContact CA-SG 3.51Å; C334-C381 HydrophobicContact CB-CB 3.96Å; C334-C381 WeakPolarHBondContact CB-SG 3.44Å; C334-C381 PolarHBondContact O-SG 3.3Å; C334-C381 WeakPolarHBondContact SG-CB 2.95Å; C334-C381 CovalentContact SG-SG 2Å; C334-C381 PolarHBondContact SG-SG 3.03Å; P342-C381 HydrophobicContact CG-CB 4.26Å; N377-C381 PolarHBondContact O-N 3.34Å; N377-C381 VanDerWaalsContact O-N 3.12Å; E378-C381 PolarHBondContact O-N 2.75Å; C381-A384 WeakPolarHBondContact O-CB 3.39Å; C381-A384 PolarHBondContact O-N 3.3Å; C381-V385 PolarHBondContact O-N 2.85Å; C381-I566 HydrophobicContact CB-CD1 4.37Å
382	H	92.9	Very high	90	Very high	5 Å²	5	21.5 Å²	21.5	2%	0.023	11%	0.114	C	C	.	.	H	α-helix	trans	-62	-48.9	-178.6	-174.1	-97.5	0	0	0	111.1	Y344 Q363 S367 E378 A379 A384 V385 H386	Y344-H382 AromaticContact CD2-CD2 3.59Å; Q363-H382 PolarHBondContact O-CE1 3.23Å; Q363-H382 VanDerWaalsContact O-CE1 3.25Å; S367-H382 PolarHBondContact OG-ND1 2.68Å; E378-H382 VanDerWaalsContact O-CB 3.29Å; E378-H382 WeakPolarHBondContact O-CB 3.38Å; E378-H382 PolarHBondContact O-N 3.4Å; A379-H382 PolarHBondContact O-N 3.44Å; H382-A384 VanDerWaalsContact C-N 3.28Å; H382-A384 PolarHBondContact O-N 3.19Å; H382-V385 WeakPolarHBondContact O-CB 3.37Å; H382-V385 PolarHBondContact O-N 2.89Å; H382-V385 VanDerWaalsContact O-N 3.12Å; H382-H386 AromaticContact CE1-CD2 3.64Å; H382-H386 AromaticContact CE1-NE2 3.3Å; H382-H386 PolarHBondContact CE1-NE2 2.73Å; H382-H386 VanDerWaalsContact CE1-NE2 3.3Å; H382-H386 AromaticContact NE2-NE2 3.6Å; H382-H386 PolarHBondContact O-CD2 2.98Å
383	H	93.5	Very high	89.7	Confident	1 Å²	1	20.9 Å²	20.9	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-56.7	-41.3	175.9	178.1	-87	0	0	0	112.5	S367 A379 V385 H386 Y387 F418 T422 L425 Y434	S367-H383 PolarHBondContact OG-N 3.3Å; A379-H383 WeakPolarHBondContact O-CB 3.2Å; A379-H383 PolarHBondContact O-N 2.69Å; H383-V385 VanDerWaalsContact C-N 3.28Å; H383-V385 PolarHBondContact O-N 2.83Å; H383-H386 PolarHBondContact O-N 3.17Å; H383-Y387 PolarHBondContact O-N 3.06Å; H383-F418 AromaticContact CD2-CE2 3.44Å; H383-F418 VanDerWaalsContact CD2-CE2 3.44Å; H383-F418 WeakPolarHBondContact CD2-CE2 3.47Å; H383-F418 AromaticContact CE1-CE2 3.7Å; H383-F418 AromaticContact CE1-CZ 3.72Å; H383-F418 AromaticContact NE2-CD2 3.98Å; H383-F418 AromaticContact NE2-CE2 3.22Å; H383-F418 WeakPolarHBondContact NE2-CE2 3.44Å; H383-F418 AromaticContact NE2-CZ 3.54Å; H383-T422 PolarHBondContact NE2-OG1 2.52Å; H383-L425 HydrophobicContact CB-CD1 3.41Å; H383-L425 VanDerWaalsContact CB-CD1 3.41Å; H383-L425 VanDerWaalsContact CG-CD1 3.42Å; H383-Y434 AromaticContact CE1-CD1 3.9Å; H383-Y434 AromaticContact CE1-CE1 3.78Å; H383-Y434 AromaticContact ND1-CE1 3.72Å
384	A	87.9	Confident	89.5	Confident	1 Å²	1	18.9 Å²	18.9	1%	0.008	10%	0.104	C	C	.	.	H	α-helix	trans	-58.3	-40.1	178.6	0	0	0	0	0	112	I380 C381 H382 H386 Y387 F388 T562 I566	I380-A384 WeakPolarHBondContact O-CB 3.26Å; I380-A384 PolarHBondContact O-N 3.25Å; I380-A384 VanDerWaalsContact O-N 3.09Å; C381-A384 WeakPolarHBondContact O-CB 3.39Å; C381-A384 PolarHBondContact O-N 3.3Å; H382-A384 VanDerWaalsContact C-N 3.28Å; H382-A384 PolarHBondContact O-N 3.19Å; A384-H386 PolarHBondContact O-N 3.19Å; A384-Y387 WeakPolarHBondContact O-CB 3.3Å; A384-Y387 PolarHBondContact O-N 3.06Å; A384-F388 HydrophobicContact CB-CE2 4.42Å; A384-F388 WeakPolarHBondContact O-CD2 3.1Å; A384-F388 PolarHBondContact O-N 2.94Å; A384-T562 HydrophobicContact CB-CG2 4.36Å; A384-I566 HydrophobicContact CB-CD1 4Å; A384-I566 HydrophobicContact CB-CG1 4.07Å
385	V	89.7	Confident	89.8	Confident	5 Å²	5	17.4 Å²	17.4	3%	0.03	9%	0.089	C	C	.	.	H	α-helix	trans	-56.2	-50.2	177.2	178.9	0	0	0	0	111.2	I359 C381 H382 H383 Y387 F388 I389 W559	I359-V385 HydrophobicContact CD1-CG1 3.88Å; C381-V385 PolarHBondContact O-N 2.85Å; H382-V385 WeakPolarHBondContact O-CB 3.37Å; H382-V385 PolarHBondContact O-N 2.89Å; H382-V385 VanDerWaalsContact O-N 3.12Å; H383-V385 VanDerWaalsContact C-N 3.28Å; H383-V385 PolarHBondContact O-N 2.83Å; V385-Y387 PolarHBondContact O-N 2.86Å; V385-F388 PolarHBondContact O-N 3.28Å; V385-I389 HydrophobicContact CG1-CD1 4.42Å; V385-I389 PolarHBondContact O-N 3.37Å; V385-W559 HydrophobicContact CB-CH2 4.49Å; V385-W559 HydrophobicContact CG1-CH2 3.82Å; V385-W559 HydrophobicContact CG1-CZ3 4.48Å; V385-W559 HydrophobicContact CG2-CH2 3.96Å; V385-W559 HydrophobicContact CG2-CZ3 3.87Å
386	H	94.4	Very high	90.1	Very high	13 Å²	13	16.1 Å²	16.1	6%	0.06	8%	0.083	C	C	.	.	H	α-helix	trans	-67.4	-35.4	178.9	-69.2	-85.6	0	0	0	112.3	D360 H382 H383 A384 F388 I389 W390 F418	D360-H386 PolarHBondContact O-CE1 2.92Å; H382-H386 AromaticContact CE1-CD2 3.64Å; H382-H386 AromaticContact CE1-NE2 3.3Å; H382-H386 PolarHBondContact CE1-NE2 2.73Å; H382-H386 VanDerWaalsContact CE1-NE2 3.3Å; H382-H386 AromaticContact NE2-NE2 3.6Å; H382-H386 PolarHBondContact O-CD2 2.98Å; H383-H386 PolarHBondContact O-N 3.17Å; A384-H386 PolarHBondContact O-N 3.19Å; H386-F388 VanDerWaalsContact C-N 3.34Å; H386-F388 PolarHBondContact O-N 2.78Å; H386-I389 PolarHBondContact O-N 3.04Å; H386-W390 PolarHBondContact O-N 3.01Å; H386-F418 HydrophobicContact CB-CD2 3.75Å; H386-F418 HydrophobicContact CB-CE2 3.75Å
387	Y	92.3	Very high	90.6	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61	-41.9	173.1	-175.6	-124.1	0	0	0	112.1	W38 H383 A384 V385 I389 W390 K391 F418 F433 V437 D440	W38-Y387 HydrophobicContact CZ2-CE1 4.41Å; H383-Y387 PolarHBondContact O-N 3.06Å; A384-Y387 WeakPolarHBondContact O-CB 3.3Å; A384-Y387 PolarHBondContact O-N 3.06Å; V385-Y387 PolarHBondContact O-N 2.86Å; Y387-I389 VanDerWaalsContact C-N 3.34Å; Y387-I389 PolarHBondContact O-N 2.96Å; Y387-W390 VanDerWaalsContact O-CB 3.3Å; Y387-W390 WeakPolarHBondContact O-CB 3.4Å; Y387-W390 PolarHBondContact O-N 3.35Å; Y387-K391 HydrophobicContact CD1-CG 4.36Å; Y387-K391 HydrophobicContact CD2-CD 4.45Å; Y387-K391 HydrophobicContact CD2-CG 4.26Å; Y387-K391 HydrophobicContact CE1-CD 4.37Å; Y387-K391 HydrophobicContact CE1-CG 3.98Å; Y387-K391 HydrophobicContact CE2-CD 3.66Å; Y387-K391 HydrophobicContact CE2-CG 3.86Å; Y387-K391 WeakPolarHBondContact O-CG 3.38Å; Y387-K391 PolarHBondContact O-N 2.9Å; Y387-F418 VanDerWaalsContact CA-CZ 3.49Å; Y387-F418 HydrophobicContact CD2-CE1 4.25Å; Y387-F418 AromaticContact CD2-CZ 3.97Å; Y387-F418 HydrophobicContact CD2-CZ 3.97Å; Y387-F418 HydrophobicContact CG-CZ 4.29Å; Y387-F433 HydrophobicContact CD1-CE2 4.06Å; Y387-F433 AromaticContact CD1-CZ 3.69Å; Y387-F433 HydrophobicContact CD1-CZ 3.69Å; Y387-F433 AromaticContact CE1-CE2 3.66Å; Y387-F433 HydrophobicContact CE1-CE2 3.66Å; Y387-F433 AromaticContact CE1-CZ 3.8Å; Y387-F433 HydrophobicContact CE1-CZ 3.8Å; Y387-F433 HydrophobicContact CG-CZ 4.24Å; Y387-V437 HydrophobicContact CD2-CB 4.35Å; Y387-V437 HydrophobicContact CD2-CG1 3.74Å; Y387-V437 HydrophobicContact CD2-CG2 3.87Å; Y387-V437 HydrophobicContact CE1-CG2 4.39Å; Y387-V437 HydrophobicContact CE2-CB 4.17Å; Y387-V437 HydrophobicContact CE2-CG1 3.95Å; Y387-V437 HydrophobicContact CE2-CG2 3.71Å; Y387-V437 HydrophobicContact CG-CG2 4.29Å; Y387-D440 HydrophobicContact CE2-CB 4.46Å; Y387-D440 PolarHBondContact OH-OD2 2.88Å
388	F	85.3	Confident	91.1	Very high	15 Å²	15	12.3 Å²	12.3	7%	0.066	6%	0.062	C	C	.	.	H	α-helix	trans	-62.9	-41.7	177.1	-80.4	-71.2	0	0	0	111.9	A384 V385 H386 W390 K391 I392 T562 Y565	A384-F388 HydrophobicContact CB-CE2 4.42Å; A384-F388 WeakPolarHBondContact O-CD2 3.1Å; A384-F388 PolarHBondContact O-N 2.94Å; V385-F388 PolarHBondContact O-N 3.28Å; H386-F388 VanDerWaalsContact C-N 3.34Å; H386-F388 PolarHBondContact O-N 2.78Å; F388-W390 VanDerWaalsContact C-N 3.32Å; F388-W390 PolarHBondContact O-N 2.57Å; F388-K391 PolarHBondContact O-N 2.78Å; F388-I392 WeakPolarHBondContact O-CG1 3.42Å; F388-I392 PolarHBondContact O-N 3.1Å; F388-I392 VanDerWaalsContact O-N 3.16Å; F388-T562 HydrophobicContact CD2-CG2 3.61Å; F388-T562 WeakPolarHBondContact CD2-OG1 3.29Å; F388-T562 VanDerWaalsContact CE2-CA 3.44Å; F388-T562 HydrophobicContact CE2-CG2 3.48Å; F388-T562 VanDerWaalsContact CE2-CG2 3.48Å; F388-T562 VanDerWaalsContact CE2-OG1 3.26Å; F388-T562 WeakPolarHBondContact CE2-OG1 3.41Å; F388-T562 HydrophobicContact CZ-CG2 4.49Å; F388-Y565 HydrophobicContact CE2-CD1 4.19Å; F388-Y565 HydrophobicContact CE2-CG 4.45Å; F388-Y565 HydrophobicContact CZ-CD1 4.21Å; F388-Y565 HydrophobicContact CZ-CG 4.03Å
389	I	90.2	Very high	91.6	Very high	9 Å²	9	15 Å²	15	5%	0.046	7%	0.072	C	C	.	.	H	α-helix	trans	-60.4	-43.9	174.1	-65.2	166.9	0	0	0	110.5	I359 V385 H386 Y387 K391 I392 P396 P397 Y400	I359-I389 HydrophobicContact CD1-CD1 3.7Å; I359-I389 HydrophobicContact CG1-CD1 4.11Å; V385-I389 HydrophobicContact CG1-CD1 4.42Å; V385-I389 PolarHBondContact O-N 3.37Å; H386-I389 PolarHBondContact O-N 3.04Å; Y387-I389 VanDerWaalsContact C-N 3.34Å; Y387-I389 PolarHBondContact O-N 2.96Å; I389-K391 VanDerWaalsContact C-N 3.32Å; I389-K391 PolarHBondContact O-N 2.66Å; I389-I392 PolarHBondContact O-N 2.74Å; I389-P396 HydrophobicContact CG2-CB 4.1Å; I389-P397 HydrophobicContact CG2-CG 4.28Å; I389-Y400 HydrophobicContact CD1-CD1 3.63Å; I389-Y400 HydrophobicContact CD1-CE1 4.37Å; I389-Y400 HydrophobicContact CD1-CG 3.95Å; I389-Y400 HydrophobicContact CG1-CD1 3.78Å; I389-Y400 HydrophobicContact CG1-CE1 4.1Å; I389-Y400 HydrophobicContact CG1-CG 4.07Å; I389-Y400 HydrophobicContact CG2-CD2 4.31Å; I389-Y400 HydrophobicContact CG2-CG 4.18Å
390	W	92.6	Very high	91.8	Very high	6 Å²	6	15.3 Å²	15.3	2%	0.023	7%	0.073	C	C	.	.	H	α-helix	trans	-55.3	-47.3	173.9	-169	-69.7	0	0	0	111.4	H386 Y387 F388 I392 Y393 G394 L395 P396 Y412 F418 I441 I445	H386-W390 PolarHBondContact O-N 3.01Å; Y387-W390 VanDerWaalsContact O-CB 3.3Å; Y387-W390 WeakPolarHBondContact O-CB 3.4Å; Y387-W390 PolarHBondContact O-N 3.35Å; F388-W390 VanDerWaalsContact C-N 3.32Å; F388-W390 PolarHBondContact O-N 2.57Å; W390-I392 VanDerWaalsContact C-N 3.32Å; W390-I392 PolarHBondContact O-N 3.31Å; W390-Y393 PolarHBondContact O-N 3.36Å; W390-G394 PolarHBondContact NE1-O 2.81Å; W390-G394 VanDerWaalsContact O-CA 3.31Å; W390-G394 WeakPolarHBondContact O-CA 3.2Å; W390-G394 PolarHBondContact O-N 3Å; W390-L395 HydrophobicContact CH2-CD2 4.01Å; W390-L395 HydrophobicContact CZ2-CD2 3.69Å; W390-P396 HydrophobicContact CD2-CG 4.48Å; W390-P396 HydrophobicContact CE3-CG 3.64Å; W390-P396 HydrophobicContact CZ3-CG 3.75Å; W390-Y412 HydrophobicContact CZ3-CE2 4.47Å; W390-F418 HydrophobicContact CB-CE1 4.35Å; W390-F418 HydrophobicContact CD2-CD1 4.19Å; W390-F418 HydrophobicContact CD2-CE1 4.21Å; W390-F418 AromaticContact CE3-CD1 3.38Å; W390-F418 HydrophobicContact CE3-CD1 3.38Å; W390-F418 AromaticContact CE3-CE1 3.84Å; W390-F418 HydrophobicContact CE3-CE1 3.84Å; W390-F418 HydrophobicContact CE3-CG 4.36Å; W390-F418 HydrophobicContact CG-CE1 4.41Å; W390-F418 AromaticContact CZ3-CD1 3.91Å; W390-F418 HydrophobicContact CZ3-CD1 3.91Å; W390-I441 HydrophobicContact CD2-CG1 4.17Å; W390-I441 HydrophobicContact CE3-CG1 4.14Å; W390-I441 HydrophobicContact CH2-CB 4.09Å; W390-I441 HydrophobicContact CH2-CG1 4Å; W390-I441 HydrophobicContact CH2-CG2 3.62Å; W390-I441 VanDerWaalsContact CZ2-CA 3.43Å; W390-I441 HydrophobicContact CZ2-CB 3.94Å; W390-I441 HydrophobicContact CZ2-CG1 3.96Å; W390-I441 HydrophobicContact CZ2-CG2 3.91Å; W390-I441 HydrophobicContact CZ3-CG1 4.06Å; W390-I441 HydrophobicContact CZ3-CG2 4.24Å; W390-I445 HydrophobicContact CH2-CG1 4.42Å
391	K	86.3	Confident	92.1	Very high	68 Å²	68	15.8 Å²	15.8	30%	0.296	8%	0.076	S	C	.	.	H	α-helix	trans	-67.7	-26	-176.8	-66.5	-54.8	-69.3	-169.3	0	114.4	Y387 F388 I389 Y393 D440	Y387-K391 HydrophobicContact CD1-CG 4.36Å; Y387-K391 HydrophobicContact CD2-CD 4.45Å; Y387-K391 HydrophobicContact CD2-CG 4.26Å; Y387-K391 HydrophobicContact CE1-CD 4.37Å; Y387-K391 HydrophobicContact CE1-CG 3.98Å; Y387-K391 HydrophobicContact CE2-CD 3.66Å; Y387-K391 HydrophobicContact CE2-CG 3.86Å; Y387-K391 WeakPolarHBondContact O-CG 3.38Å; Y387-K391 PolarHBondContact O-N 2.9Å; F388-K391 PolarHBondContact O-N 2.78Å; I389-K391 VanDerWaalsContact C-N 3.32Å; I389-K391 PolarHBondContact O-N 2.66Å; K391-Y393 VanDerWaalsContact C-N 3.34Å; K391-D440 WeakPolarHBondContact CD-OD2 3.23Å; K391-D440 IonicContact NZ-OD1 3.22Å; K391-D440 PolarHBondContact NZ-OD1 2.87Å; K391-D440 IonicContact NZ-OD2 3.11Å; K391-D440 PolarHBondContact NZ-OD2 2.86Å
392	I	87.4	Confident	92.2	Very high	42 Å²	42	16 Å²	16	22%	0.215	8%	0.077	C	C	.	.	H	α-helix	trans	-64.8	-41.1	176.6	-66.7	166.2	0	0	0	110.7	F388 I389 W390 L558	F388-I392 WeakPolarHBondContact O-CG1 3.42Å; F388-I392 PolarHBondContact O-N 3.1Å; F388-I392 VanDerWaalsContact O-N 3.16Å; I389-I392 PolarHBondContact O-N 2.74Å; W390-I392 VanDerWaalsContact C-N 3.32Å; W390-I392 PolarHBondContact O-N 3.31Å; I392-L558 HydrophobicContact CD1-CD1 4.24Å; I392-L558 HydrophobicContact CD1-CD2 4.4Å
393	Y	88.5	Confident	91.8	Very high	37 Å²	37	19.2 Å²	19.2	15%	0.145	9%	0.093	C	C	.	.	H	α-helix	trans	-113.6	-16	-168.9	-61.6	-72	0	0	0	114.2	W390 K391 L395 P397 Y400 P407 V461 I462 K464	W390-Y393 PolarHBondContact O-N 3.36Å; K391-Y393 VanDerWaalsContact C-N 3.34Å; Y393-L395 WeakPolarHBondContact CB-O 3.19Å; Y393-L395 PolarHBondContact O-N 3.16Å; Y393-P397 HydrophobicContact CD2-CG 4.26Å; Y393-P397 HydrophobicContact CE2-CG 4.14Å; Y393-Y400 HydrophobicContact CE2-CD2 4.09Å; Y393-Y400 AromaticContact CE2-CE2 3.87Å; Y393-Y400 HydrophobicContact CE2-CE2 3.87Å; Y393-P407 HydrophobicContact CE1-CG 4.27Å; Y393-P407 HydrophobicContact CE2-CG 4.36Å; Y393-P407 WeakPolarHBondContact OH-CD 3.36Å; Y393-V461 HydrophobicContact CD1-CG2 4.01Å; Y393-V461 HydrophobicContact CG-CB 4.46Å; Y393-V461 HydrophobicContact CG-CG2 4.03Å; Y393-I462 HydrophobicContact CD1-CG1 4.46Å; Y393-I462 HydrophobicContact CE1-CG1 4.17Å; Y393-K464 VanDerWaalsContact O-CE 3.27Å; Y393-K464 WeakPolarHBondContact O-CE 3.44Å; Y393-K464 PolarHBondContact O-NZ 3.24Å
394	G	90.6	Very high	91.6	Very high	19 Å²	19	22.9 Å²	22.9	20%	0.196	12%	0.115	C	C	.	.	S	Bend	trans	79.3	-9.3	-170.3	0	0	0	0	0	114.3	W390	W390-G394 PolarHBondContact NE1-O 2.81Å; W390-G394 VanDerWaalsContact O-CA 3.31Å; W390-G394 WeakPolarHBondContact O-CA 3.2Å; W390-G394 PolarHBondContact O-N 3Å
395	L	95.1	Very high	91.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-155.9	137	172.3	-66.2	174.9	0	0	0	106.7	W390 Y393 Y412 I445 Y448 T449 I458 V461	W390-L395 HydrophobicContact CH2-CD2 4.01Å; W390-L395 HydrophobicContact CZ2-CD2 3.69Å; Y393-L395 WeakPolarHBondContact CB-O 3.19Å; Y393-L395 PolarHBondContact O-N 3.16Å; L395-Y412 HydrophobicContact CB-CD1 4.09Å; L395-Y412 HydrophobicContact CB-CG 4.26Å; L395-Y412 HydrophobicContact CD1-CD1 3.95Å; L395-Y412 HydrophobicContact CD1-CE1 4.46Å; L395-Y412 HydrophobicContact CD2-CD1 3.97Å; L395-Y412 HydrophobicContact CD2-CE1 3.7Å; L395-Y412 HydrophobicContact CG-CD1 4.23Å; L395-Y412 HydrophobicContact CG-CE1 4.47Å; L395-I445 HydrophobicContact CD2-CG1 4.05Å; L395-Y448 HydrophobicContact CD1-CD2 4.27Å; L395-Y448 HydrophobicContact CD1-CG 4.38Å; L395-Y448 HydrophobicContact CG-CD2 4.23Å; L395-T449 HydrophobicContact CD1-CG2 3.71Å; L395-T449 HydrophobicContact CD2-CG2 4.47Å; L395-I458 HydrophobicContact CD1-CD1 4.43Å; L395-I458 HydrophobicContact CD1-CG1 3.65Å; L395-V461 HydrophobicContact CB-CG1 4.3Å
396	P	96.8	Very high	91.6	Very high	11 Å²	11	30.5 Å²	30.5	7%	0.071	15%	0.149	C	C	.	.			trans	-78.1	136.7	-175	31.6	-32.4	0	0	0	110.2	T361 I389 W390 Y412	T361-P396 HydrophobicContact CG2-CB 3.83Å; T361-P396 HydrophobicContact CG2-CG 3.79Å; I389-P396 HydrophobicContact CG2-CB 4.1Å; W390-P396 HydrophobicContact CD2-CG 4.48Å; W390-P396 HydrophobicContact CE3-CG 3.64Å; W390-P396 HydrophobicContact CZ3-CG 3.75Å; P396-Y412 HydrophobicContact CG-CD2 3.88Å; P396-Y412 HydrophobicContact CG-CE2 3.83Å; P396-Y412 WeakPolarHBondContact O-CB 3.35Å; P396-Y412 VanDerWaalsContact O-CD2 3.29Å; P396-Y412 WeakPolarHBondContact O-CD2 3.48Å
397	P	97.8	Very high	91.7	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.013	15%	0.148	C	C	.	.			trans	-63.1	150.1	166.6	27.8	-33.5	0	0	0	110.1	T361 I389 Y393 R399 Y400 P407 L409 V461	T361-P397 VanDerWaalsContact CG2-O 3.28Å; T361-P397 WeakPolarHBondContact CG2-O 3.36Å; I389-P397 HydrophobicContact CG2-CG 4.28Å; Y393-P397 HydrophobicContact CD2-CG 4.26Å; Y393-P397 HydrophobicContact CE2-CG 4.14Å; P397-R399 PolarHBondContact O-N 3.37Å; P397-Y400 HydrophobicContact CG-CD2 4.07Å; P397-P407 HydrophobicContact CB-CB 3.67Å; P397-P407 HydrophobicContact CB-CG 4.04Å; P397-P407 HydrophobicContact CG-CB 4.01Å; P397-P407 HydrophobicContact CG-CG 4.03Å; P397-L409 VanDerWaalsContact CB-O 3.27Å; P397-L409 WeakPolarHBondContact CB-O 3.47Å; P397-V461 HydrophobicContact CB-CG2 3.73Å; P397-V461 HydrophobicContact CG-CG2 4.29Å
398	E	98.1	Very high	91.9	Very high	6 Å²	6	34.3 Å²	34.3	3%	0.028	17%	0.167	C	C	.	.	S	Bend	trans	-53.8	-40.7	178.3	176.5	60.2	-166.3	0	0	112.9	D360 T361 L409 F411 R415	D360-E398 CarbonylContact C-O 3.57Å; D360-E398 WeakPolarHBondContact CA-O 3.22Å; D360-E398 WeakPolarHBondContact CB-O 3.4Å; T361-E398 PolarHBondContact N-O 3.04Å; T361-E398 VanDerWaalsContact N-O 3.1Å; T361-E398 PolarHBondContact OG1-OE2 3.01Å; E398-L409 HydrophobicContact CB-CB 3.83Å; E398-L409 HydrophobicContact CG-CB 4.12Å; E398-L409 HydrophobicContact CG-CD1 4.02Å; E398-L409 PolarHBondContact N-O 3.28Å; E398-F411 HydrophobicContact CB-CD1 4.39Å; E398-F411 HydrophobicContact CB-CD2 4.01Å; E398-F411 HydrophobicContact CB-CE1 4.2Å; E398-F411 HydrophobicContact CB-CE2 3.78Å; E398-F411 HydrophobicContact CB-CG 4.3Å; E398-F411 HydrophobicContact CB-CZ 3.89Å; E398-F411 VanDerWaalsContact CB-O 3.27Å; E398-F411 WeakPolarHBondContact CB-O 3.37Å; E398-F411 HydrophobicContact CG-CD2 4.39Å; E398-F411 HydrophobicContact CG-CE1 4.22Å; E398-F411 HydrophobicContact CG-CE2 3.66Å; E398-F411 HydrophobicContact CG-CZ 3.57Å; E398-F411 PolarHBondContact N-O 3.18Å; E398-R415 VanDerWaalsContact CD-NE 3.35Å; E398-R415 IonicContact OE1-CZ 2.82Å; E398-R415 VanDerWaalsContact OE1-CZ 3.29Å; E398-R415 IonicContact OE1-NE 2.96Å; E398-R415 PolarHBondContact OE1-NE 2.76Å; E398-R415 IonicContact OE1-NH2 3Å; E398-R415 PolarHBondContact OE1-NH2 3.4Å; E398-R415 IonicContact OE2-CZ 3.29Å; E398-R415 VanDerWaalsContact OE2-CZ 3.31Å; E398-R415 IonicContact OE2-NE 2.68Å; E398-R415 PolarHBondContact OE2-NE 3.08Å; E398-R415 IonicContact OE2-NH2 2.67Å; E398-R415 PolarHBondContact OE2-NH2 3.11Å; E398-R415 VanDerWaalsContact OE2-NH2 3.11Å
399	R	98	Very high	92.5	Very high	73 Å²	73	36.2 Å²	36.2	28%	0.275	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	130.7	172.5	-75.1	-179.6	-171.3	158.3	3.5	110.7	W358 I359 D360 P397 P407 E408 L409	W358-R399 HydrophobicContact CD2-CG 4.31Å; W358-R399 HydrophobicContact CE3-CG 3.9Å; W358-R399 HydrophobicContact CZ3-CG 4.29Å; I359-R399 WeakPolarHBondContact O-CA 3.39Å; D360-R399 HydrophobicContact CB-CG 3.82Å; P397-R399 PolarHBondContact O-N 3.37Å; R399-P407 CarbonylContact O-C 3.58Å; R399-P407 VanDerWaalsContact O-CA 3.29Å; R399-P407 WeakPolarHBondContact O-CA 3.44Å; R399-E408 HydrophobicContact CB-CB 4.18Å; R399-E408 PolarHBondContact O-N 3.36Å; R399-L409 HydrophobicContact CB-CB 3.93Å; R399-L409 HydrophobicContact CB-CD1 4.4Å; R399-L409 HydrophobicContact CB-CG 4.09Å; R399-L409 HydrophobicContact CG-CB 4.32Å; R399-L409 HydrophobicContact CG-CD1 3.94Å; R399-L409 HydrophobicContact CG-CG 4.18Å; R399-L409 PolarHBondContact N-O 2.92Å; R399-L409 PolarHBondContact O-N 3.48Å
400	Y	95.2	Very high	92.9	Very high	6 Å²	6	40 Å²	40	2%	0.024	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	120.2	177.3	-173.4	-100.3	0	0	0	110.7	W358 I359 I389 Y393 P397 I402 E405	W358-Y400 CarbonylContact C-O 3.6Å; W358-Y400 WeakPolarHBondContact CA-O 3.31Å; I359-Y400 PolarHBondContact N-O 3.12Å; I359-Y400 PolarHBondContact O-N 3.17Å; I389-Y400 HydrophobicContact CD1-CD1 3.63Å; I389-Y400 HydrophobicContact CD1-CE1 4.37Å; I389-Y400 HydrophobicContact CD1-CG 3.95Å; I389-Y400 HydrophobicContact CG1-CD1 3.78Å; I389-Y400 HydrophobicContact CG1-CE1 4.1Å; I389-Y400 HydrophobicContact CG1-CG 4.07Å; I389-Y400 HydrophobicContact CG2-CD2 4.31Å; I389-Y400 HydrophobicContact CG2-CG 4.18Å; Y393-Y400 HydrophobicContact CE2-CD2 4.09Å; Y393-Y400 AromaticContact CE2-CE2 3.87Å; Y393-Y400 HydrophobicContact CE2-CE2 3.87Å; P397-Y400 HydrophobicContact CG-CD2 4.07Å; Y400-I402 HydrophobicContact CD1-CG1 4.23Å; Y400-I402 PolarHBondContact O-N 3.07Å; Y400-E405 VanDerWaalsContact CZ-C 3.5Å; Y400-E405 WeakPolarHBondContact OH-CA 3.43Å; Y400-E405 WeakPolarHBondContact OH-CB 3.26Å; Y400-E405 PolarHBondContact OH-O 2.96Å
401	N	94.8	Very high	93.2	Very high	13 Å²	13	42.7 Å²	42.7	7%	0.07	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	112.2	173.4	-174.8	-43.5	0	0	0	110	H357 W358 M403 T404 E405 K406 E408	H357-N401 WeakPolarHBondContact O-CA 3.17Å; W358-N401 HydrophobicContact CB-CB 4.38Å; N401-M403 VanDerWaalsContact C-N 3.31Å; N401-M403 PolarHBondContact O-N 2.94Å; N401-M403 WeakPolarHBondContact OD1-CA 2.85Å; N401-M403 WeakPolarHBondContact OD1-CB 3.43Å; N401-M403 PolarHBondContact OD1-N 3.32Å; N401-T404 WeakPolarHBondContact CB-OG1 3.44Å; N401-T404 VanDerWaalsContact CG-OG1 3.28Å; N401-T404 PolarHBondContact OD1-N 3.39Å; N401-T404 PolarHBondContact OD1-OG1 2.97Å; N401-E405 VanDerWaalsContact O-CA 3.3Å; N401-E405 WeakPolarHBondContact O-CA 3.16Å; N401-E405 PolarHBondContact O-N 3.32Å; N401-K406 PolarHBondContact N-O 3.34Å; N401-K406 PolarHBondContact O-N 2.85Å; N401-E408 HydrophobicContact CB-CG 3.94Å; N401-E408 PolarHBondContact ND2-OE1 3.41Å
402	I	88.1	Confident	93.7	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.026	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-32.4	-176.3	-67.5	178.6	0	0	0	111.9	I343 W345 H357 I359 Y400 M554 W559	I343-I402 HydrophobicContact CD1-CD1 4.2Å; I343-I402 HydrophobicContact CD1-CG2 4.22Å; I343-I402 HydrophobicContact CG2-CD1 3.69Å; W345-I402 HydrophobicContact CH2-CB 3.83Å; W345-I402 HydrophobicContact CH2-CD1 4.08Å; W345-I402 HydrophobicContact CH2-CG2 3.71Å; W345-I402 HydrophobicContact CZ3-CB 4.04Å; W345-I402 HydrophobicContact CZ3-CD1 4.09Å; W345-I402 HydrophobicContact CZ3-CG2 4.42Å; H357-I402 PolarHBondContact O-N 2.95Å; I359-I402 HydrophobicContact CD1-CD1 4.01Å; I359-I402 HydrophobicContact CG1-CD1 4.04Å; I359-I402 HydrophobicContact CG1-CG1 4.26Å; I359-I402 HydrophobicContact CG2-CD1 3.74Å; Y400-I402 HydrophobicContact CD1-CG1 4.23Å; Y400-I402 PolarHBondContact O-N 3.07Å; I402-M554 HydrophobicContact CG2-CE 3.05Å; I402-W559 HydrophobicContact CG2-CZ2 3.59Å
403	M	86	Confident	94.2	Very high	71 Å²	71	37.9 Å²	37.9	35%	0.35	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-42.4	-178	-173.5	66.7	76.4	0	0	111.6	H357 N401 Y552	H357-M403 HydrophobicContact CB-CB 3.87Å; N401-M403 VanDerWaalsContact C-N 3.31Å; N401-M403 PolarHBondContact O-N 2.94Å; N401-M403 WeakPolarHBondContact OD1-CA 2.85Å; N401-M403 WeakPolarHBondContact OD1-CB 3.43Å; N401-M403 PolarHBondContact OD1-N 3.32Å; M403-Y552 HydrophobicContact CE-CG 4.3Å
404	T	88.8	Confident	94.7	Very high	78 Å²	78	36.1 Å²	36.1	48%	0.479	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-8.3	-179.2	65.9	0	0	0	0	113.2	N401 K406	N401-T404 WeakPolarHBondContact CB-OG1 3.44Å; N401-T404 VanDerWaalsContact CG-OG1 3.28Å; N401-T404 PolarHBondContact OD1-N 3.39Å; N401-T404 PolarHBondContact OD1-OG1 2.97Å; T404-K406 VanDerWaalsContact C-N 3.26Å; T404-K406 PolarHBondContact O-N 2.91Å
405	E	87.7	Confident	95.1	Very high	38 Å²	38	37.2 Å²	37.2	18%	0.178	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	36.6	-175.7	-63.3	177.3	-168	0	0	113.2	Y400 N401 N555	Y400-E405 VanDerWaalsContact CZ-C 3.5Å; Y400-E405 WeakPolarHBondContact OH-CA 3.43Å; Y400-E405 WeakPolarHBondContact OH-CB 3.26Å; Y400-E405 PolarHBondContact OH-O 2.96Å; N401-E405 VanDerWaalsContact O-CA 3.3Å; N401-E405 WeakPolarHBondContact O-CA 3.16Å; N401-E405 PolarHBondContact O-N 3.32Å; E405-N555 WeakPolarHBondContact OE1-CB 3.3Å; E405-N555 PolarHBondContact OE1-ND2 2.88Å
406	K	89.6	Confident	95.2	Very high	129 Å²	129	37.3 Å²	37.3	56%	0.561	17%	0.174	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-135.1	154.3	-176.2	-70.6	177.7	-174.1	-179.1	0	112.6	N401 T404	N401-K406 PolarHBondContact N-O 3.34Å; N401-K406 PolarHBondContact O-N 2.85Å; T404-K406 VanDerWaalsContact C-N 3.26Å; T404-K406 PolarHBondContact O-N 2.91Å
407	P	95.9	Very high	95.3	Very high	7 Å²	7	37.9 Å²	37.9	5%	0.045	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	140.1	168.5	-17.4	33.2	0	0	0	111.1	Y393 P397 R399 Y410 V461	Y393-P407 HydrophobicContact CE1-CG 4.27Å; Y393-P407 HydrophobicContact CE2-CG 4.36Å; Y393-P407 WeakPolarHBondContact OH-CD 3.36Å; P397-P407 HydrophobicContact CB-CB 3.67Å; P397-P407 HydrophobicContact CB-CG 4.04Å; P397-P407 HydrophobicContact CG-CB 4.01Å; P397-P407 HydrophobicContact CG-CG 4.03Å; R399-P407 CarbonylContact O-C 3.58Å; R399-P407 VanDerWaalsContact O-CA 3.29Å; R399-P407 WeakPolarHBondContact O-CA 3.44Å; P407-Y410 HydrophobicContact CB-CD1 3.67Å; P407-Y410 HydrophobicContact CB-CD2 4.18Å; P407-Y410 HydrophobicContact CB-CE1 3.69Å; P407-Y410 HydrophobicContact CB-CE2 4.17Å; P407-Y410 HydrophobicContact CB-CG 3.91Å; P407-Y410 HydrophobicContact CG-CD1 3.82Å; P407-Y410 HydrophobicContact CG-CE1 3.71Å; P407-Y410 WeakPolarHBondContact O-CE2 3.05Å; P407-Y410 PolarHBondContact O-OH 3.11Å; P407-V461 HydrophobicContact CG-CG2 4.43Å
408	E	97	Very high	95.3	Very high	86 Å²	86	38.3 Å²	38.3	40%	0.402	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-35.4	163.5	-76.2	-170	-168.9	0	0	111.5	R399 N401	R399-E408 HydrophobicContact CB-CB 4.18Å; R399-E408 PolarHBondContact O-N 3.36Å; N401-E408 HydrophobicContact CB-CG 3.94Å; N401-E408 PolarHBondContact ND2-OE1 3.41Å
409	L	98	Very high	95.4	Very high	55 Å²	55	38.1 Å²	38.1	29%	0.288	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	117.8	167.9	-64.3	-178	0	0	0	107.9	P397 E398 R399 F411	P397-L409 VanDerWaalsContact CB-O 3.27Å; P397-L409 WeakPolarHBondContact CB-O 3.47Å; E398-L409 HydrophobicContact CB-CB 3.83Å; E398-L409 HydrophobicContact CG-CB 4.12Å; E398-L409 HydrophobicContact CG-CD1 4.02Å; E398-L409 PolarHBondContact N-O 3.28Å; R399-L409 HydrophobicContact CB-CB 3.93Å; R399-L409 HydrophobicContact CB-CD1 4.4Å; R399-L409 HydrophobicContact CB-CG 4.09Å; R399-L409 HydrophobicContact CG-CB 4.32Å; R399-L409 HydrophobicContact CG-CD1 3.94Å; R399-L409 HydrophobicContact CG-CG 4.18Å; R399-L409 PolarHBondContact N-O 2.92Å; R399-L409 PolarHBondContact O-N 3.48Å; L409-F411 HydrophobicContact CB-CD1 4.23Å; L409-F411 HydrophobicContact CB-CE1 3.86Å; L409-F411 HydrophobicContact CD1-CE1 4.01Å; L409-F411 HydrophobicContact CD1-CZ 4.26Å; L409-F411 HydrophobicContact CD2-CE1 4.32Å; L409-F411 HydrophobicContact CG-CE1 4.29Å
410	Y	98.2	Very high	95.4	Very high	87 Å²	87	35 Å²	35	34%	0.341	17%	0.166	S	C	.	.			trans	-87.5	-13.8	-166.4	-70.2	-102.8	0	0	0	113.8	P407 H459 N460 V461 I462	P407-Y410 HydrophobicContact CB-CD1 3.67Å; P407-Y410 HydrophobicContact CB-CD2 4.18Å; P407-Y410 HydrophobicContact CB-CE1 3.69Å; P407-Y410 HydrophobicContact CB-CE2 4.17Å; P407-Y410 HydrophobicContact CB-CG 3.91Å; P407-Y410 HydrophobicContact CG-CD1 3.82Å; P407-Y410 HydrophobicContact CG-CE1 3.71Å; P407-Y410 WeakPolarHBondContact O-CE2 3.05Å; P407-Y410 PolarHBondContact O-OH 3.11Å; Y410-H459 CarbonylContact C-O 3.33Å; Y410-N460 CarbonylContact O-C 3.52Å; Y410-N460 WeakPolarHBondContact O-CA 3.42Å; Y410-V461 WeakPolarHBondContact O-CG1 3.42Å; Y410-V461 PolarHBondContact O-N 3.08Å; Y410-I462 HydrophobicContact CD1-CD1 4.03Å; Y410-I462 HydrophobicContact CD1-CG1 4.29Å; Y410-I462 HydrophobicContact CE1-CD1 3.66Å; Y410-I462 HydrophobicContact CE1-CG1 4.4Å
411	F	98.3	Very high	95.6	Very high	63 Å²	63	34.7 Å²	34.7	28%	0.276	17%	0.165	S	C	.	.			trans	-77.8	158.8	-175.4	63.5	-90.2	0	0	0	111.9	E398 L409 P413 I458 H459	E398-F411 HydrophobicContact CB-CD1 4.39Å; E398-F411 HydrophobicContact CB-CD2 4.01Å; E398-F411 HydrophobicContact CB-CE1 4.2Å; E398-F411 HydrophobicContact CB-CE2 3.78Å; E398-F411 HydrophobicContact CB-CG 4.3Å; E398-F411 HydrophobicContact CB-CZ 3.89Å; E398-F411 VanDerWaalsContact CB-O 3.27Å; E398-F411 WeakPolarHBondContact CB-O 3.37Å; E398-F411 HydrophobicContact CG-CD2 4.39Å; E398-F411 HydrophobicContact CG-CE1 4.22Å; E398-F411 HydrophobicContact CG-CE2 3.66Å; E398-F411 HydrophobicContact CG-CZ 3.57Å; E398-F411 PolarHBondContact N-O 3.18Å; L409-F411 HydrophobicContact CB-CD1 4.23Å; L409-F411 HydrophobicContact CB-CE1 3.86Å; L409-F411 HydrophobicContact CD1-CE1 4.01Å; L409-F411 HydrophobicContact CD1-CZ 4.26Å; L409-F411 HydrophobicContact CD2-CE1 4.32Å; L409-F411 HydrophobicContact CG-CE1 4.29Å; F411-P413 HydrophobicContact CD2-CB 4.46Å; F411-P413 HydrophobicContact CD2-CG 4.2Å; F411-P413 HydrophobicContact CE2-CG 4.18Å; F411-I458 CarbonylContact C-O 3.51Å; F411-I458 WeakPolarHBondContact CA-O 2.79Å; F411-I458 WeakPolarHBondContact CB-O 3.43Å; F411-H459 VanDerWaalsContact CA-O 3.22Å; F411-H459 WeakPolarHBondContact CA-O 3.37Å; F411-H459 WeakPolarHBondContact CB-O 3.17Å; F411-H459 PolarHBondContact N-O 3.36Å
412	Y	98.5	Very high	95.7	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.008	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-133.6	105.7	171.9	171.7	-109	0	0	0	108.9	W390 L395 P396 L414 R415 I445 I458	W390-Y412 HydrophobicContact CZ3-CE2 4.47Å; L395-Y412 HydrophobicContact CB-CD1 4.09Å; L395-Y412 HydrophobicContact CB-CG 4.26Å; L395-Y412 HydrophobicContact CD1-CD1 3.95Å; L395-Y412 HydrophobicContact CD1-CE1 4.46Å; L395-Y412 HydrophobicContact CD2-CD1 3.97Å; L395-Y412 HydrophobicContact CD2-CE1 3.7Å; L395-Y412 HydrophobicContact CG-CD1 4.23Å; L395-Y412 HydrophobicContact CG-CE1 4.47Å; P396-Y412 HydrophobicContact CG-CD2 3.88Å; P396-Y412 HydrophobicContact CG-CE2 3.83Å; P396-Y412 WeakPolarHBondContact O-CB 3.35Å; P396-Y412 VanDerWaalsContact O-CD2 3.29Å; P396-Y412 WeakPolarHBondContact O-CD2 3.48Å; Y412-L414 VanDerWaalsContact C-N 3.25Å; Y412-L414 HydrophobicContact CD1-CD2 4.41Å; Y412-L414 HydrophobicContact CE1-CD2 4.03Å; Y412-L414 PolarHBondContact O-N 2.92Å; Y412-R415 HydrophobicContact CE2-CB 3.92Å; Y412-R415 PolarHBondContact OH-O 2.69Å; Y412-I445 HydrophobicContact CE1-CG1 4.36Å; Y412-I458 PolarHBondContact N-O 3.29Å; Y412-I458 PolarHBondContact O-N 3.01Å
413	P	97.8	Very high	96.2	Very high	8 Å²	8	34.2 Å²	34.2	5%	0.052	16%	0.161	C	C	.	.			trans	-90	32.7	-173.7	37	-35	0	0	0	112.9	F411 R415 T457 F473	F411-P413 HydrophobicContact CD2-CB 4.46Å; F411-P413 HydrophobicContact CD2-CG 4.2Å; F411-P413 HydrophobicContact CE2-CG 4.18Å; P413-R415 VanDerWaalsContact C-N 3.34Å; P413-R415 HydrophobicContact CG-CG 3.79Å; P413-R415 PolarHBondContact O-N 3.45Å; P413-T457 HydrophobicContact CB-CG2 4.2Å; P413-F473 WeakPolarHBondContact O-CE2 3.42Å; P413-F473 WeakPolarHBondContact O-CZ 3.1Å
414	L	98.5	Very high	96.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.15	C	C	.	.			trans	68.8	25.7	177.1	-48.7	172.9	0	0	0	115.8	Y412 T449 F455 M470 F473 F474 T478	Y412-L414 VanDerWaalsContact C-N 3.25Å; Y412-L414 HydrophobicContact CD1-CD2 4.41Å; Y412-L414 HydrophobicContact CE1-CD2 4.03Å; Y412-L414 PolarHBondContact O-N 2.92Å; L414-T449 HydrophobicContact CD2-CG2 3.65Å; L414-F455 HydrophobicContact CD1-CB 4.07Å; L414-F455 WeakPolarHBondContact CD1-O 3.48Å; L414-M470 HydrophobicContact CD1-CG 4.33Å; L414-F473 HydrophobicContact CB-CE2 4.47Å; L414-F474 HydrophobicContact CB-CB 4.09Å; L414-F474 HydrophobicContact CB-CD2 3.68Å; L414-F474 HydrophobicContact CB-CE2 4.49Å; L414-F474 HydrophobicContact CB-CG 4.13Å; L414-F474 HydrophobicContact CD1-CB 3.98Å; L414-F474 HydrophobicContact CD1-CD1 4.35Å; L414-F474 HydrophobicContact CD1-CD2 3.96Å; L414-F474 HydrophobicContact CD1-CG 3.8Å; L414-F474 HydrophobicContact CD2-CD2 4.41Å; L414-F474 HydrophobicContact CG-CD2 4.24Å; L414-T478 PolarHBondContact O-OG1 3.4Å
415	R	98	Very high	97.1	Very high	42 Å²	42	28.1 Å²	28.1	16%	0.158	13%	0.127	C	C	.	.			trans	-44.4	133.9	-178	-75.6	-121.8	-172.2	-93	-9.5	115.8	T361 L362 E398 Y412 P413 E417	T361-R415 WeakPolarHBondContact OG1-CD 3.47Å; T361-R415 PolarHBondContact OG1-NE 2.89Å; L362-R415 VanDerWaalsContact CD1-CZ 3.48Å; E398-R415 VanDerWaalsContact CD-NE 3.35Å; E398-R415 IonicContact OE1-CZ 2.82Å; E398-R415 VanDerWaalsContact OE1-CZ 3.29Å; E398-R415 IonicContact OE1-NE 2.96Å; E398-R415 PolarHBondContact OE1-NE 2.76Å; E398-R415 IonicContact OE1-NH2 3Å; E398-R415 PolarHBondContact OE1-NH2 3.4Å; E398-R415 IonicContact OE2-CZ 3.29Å; E398-R415 VanDerWaalsContact OE2-CZ 3.31Å; E398-R415 IonicContact OE2-NE 2.68Å; E398-R415 PolarHBondContact OE2-NE 3.08Å; E398-R415 IonicContact OE2-NH2 2.67Å; E398-R415 PolarHBondContact OE2-NH2 3.11Å; E398-R415 VanDerWaalsContact OE2-NH2 3.11Å; Y412-R415 HydrophobicContact CE2-CB 3.92Å; Y412-R415 PolarHBondContact OH-O 2.69Å; P413-R415 VanDerWaalsContact C-N 3.34Å; P413-R415 HydrophobicContact CG-CG 3.79Å; P413-R415 PolarHBondContact O-N 3.45Å; R415-E417 WeakPolarHBondContact CB-OE2 3.35Å; R415-E417 WeakPolarHBondContact CD-OE2 3.25Å
416	P	98.5	Very high	97.4	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.013	12%	0.121	C	C	.	.			trans	-87.7	-20.6	-177.8	33.3	-36.2	0	0	0	115.4	F418 A419 E420 F473 E477 T478	P416-F418 VanDerWaalsContact C-N 3.26Å; P416-F418 PolarHBondContact O-N 3.37Å; P416-F418 VanDerWaalsContact O-N 3.12Å; P416-A419 CarbonylContact O-C 3.12Å; P416-A419 WeakPolarHBondContact O-CA 3.22Å; P416-A419 WeakPolarHBondContact O-CB 3.44Å; P416-A419 PolarHBondContact O-N 3.32Å; P416-E420 PolarHBondContact O-N 3.31Å; P416-F473 HydrophobicContact CG-CD2 4.49Å; P416-E477 HydrophobicContact CB-CB 3.41Å; P416-E477 VanDerWaalsContact CB-CB 3.41Å; P416-E477 HydrophobicContact CB-CG 4.44Å; P416-E477 HydrophobicContact CG-CB 3.85Å; P416-E477 HydrophobicContact CG-CG 4.41Å; P416-T478 VanDerWaalsContact CA-OG1 3.23Å; P416-T478 WeakPolarHBondContact CA-OG1 3.32Å; P416-T478 WeakPolarHBondContact CB-OG1 3.35Å
417	E	98.6	Very high	97.6	Very high	23 Å²	23	22.4 Å²	22.4	11%	0.107	10%	0.1	C	C	.	.	H	α-helix	trans	-62.1	-33.5	-161.3	-62.5	84.9	178.7	0	0	112.9	L362 S364 A365 R415 S421	L362-E417 WeakPolarHBondContact CD2-OE1 3.45Å; S364-E417 VanDerWaalsContact OG-C 3.28Å; S364-E417 VanDerWaalsContact OG-CB 3.25Å; S364-E417 WeakPolarHBondContact OG-CB 3.43Å; A365-E417 HydrophobicContact CB-CB 3.79Å; A365-E417 HydrophobicContact CB-CG 3.85Å; R415-E417 WeakPolarHBondContact CB-OE2 3.35Å; R415-E417 WeakPolarHBondContact CD-OE2 3.25Å; E417-S421 WeakPolarHBondContact O-CB 3.25Å; E417-S421 PolarHBondContact O-N 2.93Å; E417-S421 PolarHBondContact O-OG 2.65Å
418	F	98.5	Very high	97.2	Very high	10 Å²	10	23.7 Å²	23.7	4%	0.044	11%	0.112	C	C	.	.	H	α-helix	trans	-75.4	-32.7	176.5	-171	-120.1	0	0	0	112	S364 H383 H386 Y387 W390 P416 T422 V437 I441	S364-F418 WeakPolarHBondContact OG-CA 3.44Å; S364-F418 PolarHBondContact OG-N 3.09Å; H383-F418 AromaticContact CD2-CE2 3.44Å; H383-F418 VanDerWaalsContact CD2-CE2 3.44Å; H383-F418 WeakPolarHBondContact CD2-CE2 3.47Å; H383-F418 AromaticContact CE1-CE2 3.7Å; H383-F418 AromaticContact CE1-CZ 3.72Å; H383-F418 AromaticContact NE2-CD2 3.98Å; H383-F418 AromaticContact NE2-CE2 3.22Å; H383-F418 WeakPolarHBondContact NE2-CE2 3.44Å; H383-F418 AromaticContact NE2-CZ 3.54Å; H386-F418 HydrophobicContact CB-CD2 3.75Å; H386-F418 HydrophobicContact CB-CE2 3.75Å; Y387-F418 VanDerWaalsContact CA-CZ 3.49Å; Y387-F418 HydrophobicContact CD2-CE1 4.25Å; Y387-F418 AromaticContact CD2-CZ 3.97Å; Y387-F418 HydrophobicContact CD2-CZ 3.97Å; Y387-F418 HydrophobicContact CG-CZ 4.29Å; W390-F418 HydrophobicContact CB-CE1 4.35Å; W390-F418 HydrophobicContact CD2-CD1 4.19Å; W390-F418 HydrophobicContact CD2-CE1 4.21Å; W390-F418 AromaticContact CE3-CD1 3.38Å; W390-F418 HydrophobicContact CE3-CD1 3.38Å; W390-F418 AromaticContact CE3-CE1 3.84Å; W390-F418 HydrophobicContact CE3-CE1 3.84Å; W390-F418 HydrophobicContact CE3-CG 4.36Å; W390-F418 HydrophobicContact CG-CE1 4.41Å; W390-F418 AromaticContact CZ3-CD1 3.91Å; W390-F418 HydrophobicContact CZ3-CD1 3.91Å; P416-F418 VanDerWaalsContact C-N 3.26Å; P416-F418 PolarHBondContact O-N 3.37Å; P416-F418 VanDerWaalsContact O-N 3.12Å; F418-T422 VanDerWaalsContact O-CB 3.31Å; F418-T422 WeakPolarHBondContact O-CB 3.21Å; F418-T422 PolarHBondContact O-N 3.17Å; F418-T422 PolarHBondContact O-OG1 3.5Å; F418-V437 HydrophobicContact CE1-CG1 3.72Å; F418-V437 HydrophobicContact CZ-CG1 3.75Å; F418-I441 HydrophobicContact CD1-CD1 3.51Å; F418-I441 HydrophobicContact CD1-CG1 3.93Å; F418-I441 HydrophobicContact CE1-CD1 3.74Å; F418-I441 HydrophobicContact CE1-CG1 4.01Å; F418-I441 HydrophobicContact CG-CD1 4.47Å
419	A	98.8	Very high	96.7	Very high	3 Å²	3	20.6 Å²	20.6	3%	0.025	10%	0.099	C	C	.	.	H	α-helix	trans	-69.4	-43	172.5	0	0	0	0	0	111	P416 T422 Y423 I441 L482	P416-A419 CarbonylContact O-C 3.12Å; P416-A419 WeakPolarHBondContact O-CA 3.22Å; P416-A419 WeakPolarHBondContact O-CB 3.44Å; P416-A419 PolarHBondContact O-N 3.32Å; A419-T422 PolarHBondContact O-N 3.3Å; A419-Y423 WeakPolarHBondContact O-CB 3.4Å; A419-Y423 PolarHBondContact O-N 3.3Å; A419-I441 HydrophobicContact CB-CD1 4.47Å; A419-L482 HydrophobicContact CB-CD2 4.31Å; A419-L482 HydrophobicContact CB-CG 4.22Å
420	E	98.7	Very high	96.2	Very high	7 Å²	7	22.6 Å²	22.6	3%	0.033	11%	0.105	C	C	.	.	H	α-helix	trans	-54.7	-54.9	172.9	179.5	-176	-166.7	0	0	111	K302 P416 T422 Y423 L424 Y481	K302-E420 IonicContact NZ-OE1 3.68Å; K302-E420 PolarHBondContact NZ-OE1 3.37Å; P416-E420 PolarHBondContact O-N 3.31Å; E420-T422 VanDerWaalsContact C-N 3.28Å; E420-T422 PolarHBondContact O-N 2.7Å; E420-Y423 WeakPolarHBondContact O-CB 3.25Å; E420-Y423 PolarHBondContact O-N 3.17Å; E420-Y423 VanDerWaalsContact O-N 3.1Å; E420-L424 HydrophobicContact CG-CD1 3.91Å; E420-L424 HydrophobicContact CG-CG 4.46Å; E420-L424 WeakPolarHBondContact O-CG 3.47Å; E420-L424 PolarHBondContact O-N 2.9Å; E420-Y481 HydrophobicContact CB-CD1 4.33Å; E420-Y481 HydrophobicContact CB-CD2 3.69Å; E420-Y481 HydrophobicContact CB-CE1 4.19Å; E420-Y481 HydrophobicContact CB-CE2 3.51Å; E420-Y481 HydrophobicContact CB-CG 4.1Å; E420-Y481 HydrophobicContact CG-CD1 4.4Å; E420-Y481 HydrophobicContact CG-CD2 4.37Å; E420-Y481 HydrophobicContact CG-CE1 3.86Å; E420-Y481 HydrophobicContact CG-CE2 3.81Å; E420-Y481 PolarHBondContact OE1-OH 2.85Å
421	S	98.6	Very high	95.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-62.1	-36.6	-178.8	-75	0	0	0	0	112.7	S364 G368 E417 L425	S364-S421 PolarHBondContact O-OG 3.21Å; G368-S421 PolarHBondContact N-OG 3.3Å; E417-S421 WeakPolarHBondContact O-CB 3.25Å; E417-S421 PolarHBondContact O-N 2.93Å; E417-S421 PolarHBondContact O-OG 2.65Å; S421-L425 VanDerWaalsContact O-CB 3.31Å; S421-L425 WeakPolarHBondContact O-CB 3.46Å; S421-L425 WeakPolarHBondContact O-CG 3.25Å; S421-L425 PolarHBondContact O-N 3.49Å
422	T	98.6	Very high	95.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-64.8	-43.9	174.3	-59.4	0	0	0	0	111.2	H383 F418 A419 E420 Y426 Y434 V437 L485	H383-T422 PolarHBondContact NE2-OG1 2.52Å; F418-T422 VanDerWaalsContact O-CB 3.31Å; F418-T422 WeakPolarHBondContact O-CB 3.21Å; F418-T422 PolarHBondContact O-N 3.17Å; F418-T422 PolarHBondContact O-OG1 3.5Å; A419-T422 PolarHBondContact O-N 3.3Å; E420-T422 VanDerWaalsContact C-N 3.28Å; E420-T422 PolarHBondContact O-N 2.7Å; T422-Y426 WeakPolarHBondContact O-CB 3.23Å; T422-Y426 PolarHBondContact O-N 3.05Å; T422-Y434 HydrophobicContact CG2-CD1 4.35Å; T422-Y434 WeakPolarHBondContact CG2-O 3.18Å; T422-V437 HydrophobicContact CG2-CB 3.91Å; T422-V437 HydrophobicContact CG2-CG1 3.85Å; T422-L485 HydrophobicContact CG2-CD2 3.99Å
423	Y	98.6	Very high	94.5	Very high	8 Å²	8	17.5 Å²	17.5	3%	0.031	9%	0.087	C	C	.	.	H	α-helix	trans	-59	-54.2	175.4	165.8	-109.5	0	0	0	111.2	A419 E420 L425 Y426 R427 Y481 L484 L485 N493 F501	A419-Y423 WeakPolarHBondContact O-CB 3.4Å; A419-Y423 PolarHBondContact O-N 3.3Å; E420-Y423 WeakPolarHBondContact O-CB 3.25Å; E420-Y423 PolarHBondContact O-N 3.17Å; E420-Y423 VanDerWaalsContact O-N 3.1Å; Y423-L425 PolarHBondContact O-N 3.3Å; Y423-Y426 WeakPolarHBondContact O-CB 3.31Å; Y423-Y426 PolarHBondContact O-N 2.64Å; Y423-Y426 VanDerWaalsContact O-N 3.16Å; Y423-R427 HydrophobicContact CD2-CG 3.99Å; Y423-R427 HydrophobicContact CE1-CG 4.14Å; Y423-R427 HydrophobicContact CE2-CG 3.53Å; Y423-R427 HydrophobicContact CG-CG 4.48Å; Y423-R427 WeakPolarHBondContact O-CG 3.25Å; Y423-R427 PolarHBondContact O-N 2.72Å; Y423-Y481 AromaticContact CD1-CD1 3.67Å; Y423-Y481 HydrophobicContact CD1-CD1 3.67Å; Y423-Y481 HydrophobicContact CD1-CE1 4.1Å; Y423-Y481 HydrophobicContact CE1-CD1 4.32Å; Y423-Y481 HydrophobicContact CG-CD1 4.15Å; Y423-L484 HydrophobicContact CD2-CB 3.96Å; Y423-L484 HydrophobicContact CE2-CB 3.54Å; Y423-L485 HydrophobicContact CD2-CB 4.29Å; Y423-N493 VanDerWaalsContact CE2-OD1 3.29Å; Y423-N493 WeakPolarHBondContact CE2-OD1 3.3Å; Y423-N493 PolarHBondContact OH-OD1 3.1Å; Y423-F501 HydrophobicContact CE1-CE2 4.29Å
424	L	97.5	Very high	94.3	Very high	21 Å²	21	17.2 Å²	17.2	11%	0.11	8%	0.084	C	C	.	.	H	α-helix	trans	-61.7	-42.6	-178.5	-68.6	172.9	0	0	0	112.2	G368 V371 L372 E420 Y426 R427 A428	G368-L424 VanDerWaalsContact CA-CD1 3.48Å; V371-L424 HydrophobicContact CB-CB 4.27Å; V371-L424 HydrophobicContact CG1-CB 4.14Å; L372-L424 HydrophobicContact CD2-CD2 4.41Å; L372-L424 HydrophobicContact CG-CD1 4.42Å; E420-L424 HydrophobicContact CG-CD1 3.91Å; E420-L424 HydrophobicContact CG-CG 4.46Å; E420-L424 WeakPolarHBondContact O-CG 3.47Å; E420-L424 PolarHBondContact O-N 2.9Å; L424-Y426 PolarHBondContact O-N 3.32Å; L424-R427 PolarHBondContact O-N 3.44Å; L424-R427 VanDerWaalsContact O-N 3.16Å; L424-A428 PolarHBondContact O-N 3.46Å
425	L	94.3	Very high	94.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63.2	-39.7	175.3	-82.4	165.5	0	0	0	112.5	V371 A379 I380 H383 S421 Y423 T429 Y434	V371-L425 HydrophobicContact CG2-CD2 3.49Å; V371-L425 VanDerWaalsContact CG2-CD2 3.49Å; V371-L425 HydrophobicContact CG2-CG 3.64Å; A379-L425 HydrophobicContact CB-CD2 3.9Å; I380-L425 HydrophobicContact CG1-CD2 4.02Å; H383-L425 HydrophobicContact CB-CD1 3.41Å; H383-L425 VanDerWaalsContact CB-CD1 3.41Å; H383-L425 VanDerWaalsContact CG-CD1 3.42Å; S421-L425 VanDerWaalsContact O-CB 3.31Å; S421-L425 WeakPolarHBondContact O-CB 3.46Å; S421-L425 WeakPolarHBondContact O-CG 3.25Å; S421-L425 PolarHBondContact O-N 3.49Å; Y423-L425 PolarHBondContact O-N 3.3Å; L425-T429 WeakPolarHBondContact O-CB 3Å; L425-T429 WeakPolarHBondContact O-CG2 3.35Å; L425-T429 PolarHBondContact O-N 3.28Å; L425-T429 PolarHBondContact O-OG1 3.42Å; L425-Y434 HydrophobicContact CB-CD1 3.82Å; L425-Y434 HydrophobicContact CB-CD2 4.1Å; L425-Y434 HydrophobicContact CB-CE1 3.56Å; L425-Y434 HydrophobicContact CB-CE2 3.86Å; L425-Y434 HydrophobicContact CB-CG 4.09Å; L425-Y434 HydrophobicContact CD1-CD1 4.38Å; L425-Y434 HydrophobicContact CD1-CE1 3.58Å; L425-Y434 HydrophobicContact CG-CE1 4.09Å
426	Y	94.6	Very high	93.9	Very high	12 Å²	12	16.1 Å²	16.1	5%	0.047	8%	0.081	C	C	.	.	H	α-helix	trans	-62.8	-44.5	171.7	177.4	-110.1	0	0	0	111.2	K51 T422 Y423 L424 A428 T429 K430 L435 L485	K51-Y426 PolarHBondContact NZ-OH 3.34Å; T422-Y426 WeakPolarHBondContact O-CB 3.23Å; T422-Y426 PolarHBondContact O-N 3.05Å; Y423-Y426 WeakPolarHBondContact O-CB 3.31Å; Y423-Y426 PolarHBondContact O-N 2.64Å; Y423-Y426 VanDerWaalsContact O-N 3.16Å; L424-Y426 PolarHBondContact O-N 3.32Å; Y426-A428 VanDerWaalsContact C-N 3.32Å; Y426-A428 PolarHBondContact O-N 2.87Å; Y426-T429 PolarHBondContact O-N 2.96Å; Y426-K430 WeakPolarHBondContact O-CA 2.84Å; Y426-K430 PolarHBondContact O-N 2.9Å; Y426-L435 HydrophobicContact CD1-CD2 4.28Å; Y426-L435 HydrophobicContact CD2-CD1 4.39Å; Y426-L435 HydrophobicContact CD2-CD2 4.08Å; Y426-L435 HydrophobicContact CD2-CG 3.85Å; Y426-L435 HydrophobicContact CE1-CD2 3.99Å; Y426-L435 HydrophobicContact CE2-CD1 3.62Å; Y426-L435 HydrophobicContact CE2-CD2 3.79Å; Y426-L435 HydrophobicContact CE2-CG 3.55Å; Y426-L435 HydrophobicContact CG-CD2 4.31Å; Y426-L485 VanDerWaalsContact CB-CD1 3.45Å; Y426-L485 HydrophobicContact CD1-CD1 3.64Å; Y426-L485 HydrophobicContact CG-CD1 3.61Å
427	R	93.5	Very high	93.7	Very high	34 Å²	34	16 Å²	16	13%	0.128	8%	0.081	C	C	.	.	H	α-helix	trans	-58.3	-45.1	179.1	-67.9	-48	-56.2	-175.5	-4.4	111.8	Y423 L424 K430 N493 E496	Y423-R427 HydrophobicContact CD2-CG 3.99Å; Y423-R427 HydrophobicContact CE1-CG 4.14Å; Y423-R427 HydrophobicContact CE2-CG 3.53Å; Y423-R427 HydrophobicContact CG-CG 4.48Å; Y423-R427 WeakPolarHBondContact O-CG 3.25Å; Y423-R427 PolarHBondContact O-N 2.72Å; L424-R427 PolarHBondContact O-N 3.44Å; L424-R427 VanDerWaalsContact O-N 3.16Å; R427-K430 VanDerWaalsContact CZ-NZ 3.26Å; R427-K430 VanDerWaalsContact O-CE 3.31Å; R427-K430 WeakPolarHBondContact O-CE 3.29Å; R427-K430 PolarHBondContact O-NZ 2.91Å; R427-N493 PolarHBondContact NH2-O 3.32Å; R427-E496 IonicContact CZ-OE2 3.59Å; R427-E496 IonicContact NE-OE2 2.83Å; R427-E496 PolarHBondContact NE-OE2 3.24Å; R427-E496 VanDerWaalsContact NH2-CD 3.26Å; R427-E496 IonicContact NH2-OE1 2.73Å; R427-E496 PolarHBondContact NH2-OE1 3.06Å; R427-E496 IonicContact NH2-OE2 3.5Å; R427-E496 PolarHBondContact NH2-OE2 2.97Å
428	A	88.8	Confident	93.6	Very high	35 Å²	35	14.9 Å²	14.9	29%	0.289	8%	0.075	S	C	.	.	H	α-helix	trans	-74.6	-37.9	-178	0	0	0	0	0	114.2	V371 L376 L424 Y426	V371-A428 HydrophobicContact CG1-CB 3.64Å; L376-A428 HydrophobicContact CD2-CB 3.7Å; L424-A428 PolarHBondContact O-N 3.46Å; Y426-A428 VanDerWaalsContact C-N 3.32Å; Y426-A428 PolarHBondContact O-N 2.87Å
429	T	86.7	Confident	93.6	Very high	20 Å²	20	18 Å²	18	12%	0.123	9%	0.089	C	C	.	.	H	α-helix	trans	-103.2	-20.9	-171.9	66.5	0	0	0	0	114.1	L425 Y426 H431 Y434	L425-T429 WeakPolarHBondContact O-CB 3Å; L425-T429 WeakPolarHBondContact O-CG2 3.35Å; L425-T429 PolarHBondContact O-N 3.28Å; L425-T429 PolarHBondContact O-OG1 3.42Å; Y426-T429 PolarHBondContact O-N 2.96Å; T429-H431 PolarHBondContact O-N 3.27Å; T429-H431 WeakPolarHBondContact OG1-CB 3.43Å; T429-H431 PolarHBondContact OG1-N 3.32Å; T429-Y434 HydrophobicContact CG2-CE2 4.42Å; T429-Y434 VanDerWaalsContact OG1-CE2 3.3Å; T429-Y434 WeakPolarHBondContact OG1-CE2 3.39Å
430	K	85.9	Confident	93.4	Very high	98 Å²	98	19.7 Å²	19.7	43%	0.426	10%	0.098	S	C	.	.			trans	51	18.2	-166.2	-52.9	-56.2	-173.1	-151.9	0	114	Y426 R427 E496	Y426-K430 WeakPolarHBondContact O-CA 2.84Å; Y426-K430 PolarHBondContact O-N 2.9Å; R427-K430 VanDerWaalsContact CZ-NZ 3.26Å; R427-K430 VanDerWaalsContact O-CE 3.31Å; R427-K430 WeakPolarHBondContact O-CE 3.29Å; R427-K430 PolarHBondContact O-NZ 2.91Å; K430-E496 IonicContact NZ-OE2 2.91Å
431	H	86.4	Confident	93.4	Very high	30 Å²	30	19.4 Å²	19.4	14%	0.139	10%	0.096	C	C	.	.			trans	-75.5	128.1	-174	-169.3	-68.8	0	0	0	110.6	T429 F433 Y434	T429-H431 PolarHBondContact O-N 3.27Å; T429-H431 WeakPolarHBondContact OG1-CB 3.43Å; T429-H431 PolarHBondContact OG1-N 3.32Å; H431-F433 WeakPolarHBondContact ND1-CB 3.45Å; H431-F433 PolarHBondContact ND1-N 3.42Å; H431-F433 VanDerWaalsContact ND1-N 3.16Å; H431-F433 PolarHBondContact O-N 2.84Å; H431-F433 VanDerWaalsContact O-N 3.08Å; H431-Y434 HydrophobicContact CB-CD2 4.08Å; H431-Y434 HydrophobicContact CB-CE2 4.09Å; H431-Y434 PolarHBondContact O-N 3.25Å
432	P	87.4	Confident	93.4	Very high	14 Å²	14	20 Å²	20	9%	0.091	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-24.4	-172	24.1	-36.2	0	0	0	114.2	D45 Y434 L435 H436	D45-P432 WeakPolarHBondContact OD1-CG 3.43Å; P432-Y434 PolarHBondContact O-N 2.99Å; P432-Y434 VanDerWaalsContact O-N 3.17Å; P432-L435 WeakPolarHBondContact O-CB 3.08Å; P432-L435 PolarHBondContact O-N 2.81Å; P432-H436 PolarHBondContact O-CD2 3.07Å; P432-H436 VanDerWaalsContact O-CD2 3.23Å; P432-H436 PolarHBondContact O-N 2.96Å
433	F	86.9	Confident	93.4	Very high	1 Å²	1	22.9 Å²	22.9	0%	0.004	12%	0.115	C	C	.	.	H	α-helix	trans	-43.6	-47	171.5	170.4	-121.3	0	0	0	113.2	L42 Y387 H431 L435 H436 V437 Y565 F570	L42-F433 HydrophobicContact CB-CD2 4.34Å; L42-F433 HydrophobicContact CD1-CD2 4.1Å; L42-F433 HydrophobicContact CD1-CE2 4.11Å; L42-F433 HydrophobicContact CD2-CD2 4.33Å; L42-F433 WeakPolarHBondContact O-CA 3.43Å; L42-F433 PolarHBondContact O-N 3.5Å; Y387-F433 HydrophobicContact CD1-CE2 4.06Å; Y387-F433 AromaticContact CD1-CZ 3.69Å; Y387-F433 HydrophobicContact CD1-CZ 3.69Å; Y387-F433 AromaticContact CE1-CE2 3.66Å; Y387-F433 HydrophobicContact CE1-CE2 3.66Å; Y387-F433 AromaticContact CE1-CZ 3.8Å; Y387-F433 HydrophobicContact CE1-CZ 3.8Å; Y387-F433 HydrophobicContact CG-CZ 4.24Å; H431-F433 WeakPolarHBondContact ND1-CB 3.45Å; H431-F433 PolarHBondContact ND1-N 3.42Å; H431-F433 VanDerWaalsContact ND1-N 3.16Å; H431-F433 PolarHBondContact O-N 2.84Å; H431-F433 VanDerWaalsContact O-N 3.08Å; F433-L435 VanDerWaalsContact C-N 3.27Å; F433-L435 PolarHBondContact O-N 2.77Å; F433-H436 WeakPolarHBondContact O-CB 3.49Å; F433-H436 PolarHBondContact O-N 3.33Å; F433-H436 VanDerWaalsContact O-N 3.07Å; F433-V437 HydrophobicContact CD1-CG2 4.22Å; F433-V437 HydrophobicContact CD2-CG2 3.89Å; F433-V437 HydrophobicContact CE1-CG2 3.72Å; F433-V437 HydrophobicContact CE2-CG2 3.32Å; F433-V437 HydrophobicContact CG-CG2 4.32Å; F433-V437 HydrophobicContact CZ-CG2 3.25Å; F433-V437 WeakPolarHBondContact O-CG2 3.41Å; F433-V437 PolarHBondContact O-N 3.44Å; F433-Y565 WeakPolarHBondContact CD1-OH 3.48Å; F433-Y565 WeakPolarHBondContact CD2-OH 3.2Å; F433-Y565 HydrophobicContact CE1-CE1 4.28Å; F433-Y565 WeakPolarHBondContact CE1-OH 3.35Å; F433-Y565 HydrophobicContact CE2-CE1 4.38Å; F433-Y565 HydrophobicContact CE2-CE2 4.45Å; F433-Y565 AromaticContact CE2-CZ 3.67Å; F433-Y565 WeakPolarHBondContact CE2-OH 3.46Å; F433-Y565 WeakPolarHBondContact CG-OH 3.4Å; F433-Y565 AromaticContact CZ-CE1 3.98Å; F433-Y565 HydrophobicContact CZ-CE1 3.98Å; F433-Y565 AromaticContact CZ-CZ 3.73Å; F433-Y565 WeakPolarHBondContact CZ-OH 3.41Å; F433-F570 HydrophobicContact CD1-CZ 4.41Å
434	Y	92.1	Very high	93.4	Very high	1 Å²	1	22.9 Å²	22.9	0%	0.004	12%	0.117	C	C	.	.	H	α-helix	trans	-68.2	-27.4	-175.3	-63.5	-66	0	0	0	112.9	I380 H383 T422 L425 T429 H431 P432 V437 G438	I380-Y434 WeakPolarHBondContact CG1-OH 3.41Å; H383-Y434 AromaticContact CE1-CD1 3.9Å; H383-Y434 AromaticContact CE1-CE1 3.78Å; H383-Y434 AromaticContact ND1-CE1 3.72Å; T422-Y434 HydrophobicContact CG2-CD1 4.35Å; T422-Y434 WeakPolarHBondContact CG2-O 3.18Å; L425-Y434 HydrophobicContact CB-CD1 3.82Å; L425-Y434 HydrophobicContact CB-CD2 4.1Å; L425-Y434 HydrophobicContact CB-CE1 3.56Å; L425-Y434 HydrophobicContact CB-CE2 3.86Å; L425-Y434 HydrophobicContact CB-CG 4.09Å; L425-Y434 HydrophobicContact CD1-CD1 4.38Å; L425-Y434 HydrophobicContact CD1-CE1 3.58Å; L425-Y434 HydrophobicContact CG-CE1 4.09Å; T429-Y434 HydrophobicContact CG2-CE2 4.42Å; T429-Y434 VanDerWaalsContact OG1-CE2 3.3Å; T429-Y434 WeakPolarHBondContact OG1-CE2 3.39Å; H431-Y434 HydrophobicContact CB-CD2 4.08Å; H431-Y434 HydrophobicContact CB-CE2 4.09Å; H431-Y434 PolarHBondContact O-N 3.25Å; P432-Y434 PolarHBondContact O-N 2.99Å; P432-Y434 VanDerWaalsContact O-N 3.17Å; Y434-V437 PolarHBondContact O-N 3.03Å; Y434-G438 PolarHBondContact O-N 2.95Å
435	L	95.4	Very high	93.4	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.016	11%	0.111	C	C	.	.	H	α-helix	trans	-67.2	-39.6	171.5	-61.9	169.8	0	0	0	111.3	M46 K51 Y426 P432 F433 G438 K439 L485 F486	M46-L435 HydrophobicContact CB-CD1 3.88Å; M46-L435 HydrophobicContact CE-CB 3.8Å; M46-L435 HydrophobicContact SD-CB 4.08Å; M46-L435 HydrophobicContact SD-CD1 4.41Å; K51-L435 HydrophobicContact CD-CD1 4.15Å; K51-L435 HydrophobicContact CG-CD1 4.4Å; Y426-L435 HydrophobicContact CD1-CD2 4.28Å; Y426-L435 HydrophobicContact CD2-CD1 4.39Å; Y426-L435 HydrophobicContact CD2-CD2 4.08Å; Y426-L435 HydrophobicContact CD2-CG 3.85Å; Y426-L435 HydrophobicContact CE1-CD2 3.99Å; Y426-L435 HydrophobicContact CE2-CD1 3.62Å; Y426-L435 HydrophobicContact CE2-CD2 3.79Å; Y426-L435 HydrophobicContact CE2-CG 3.55Å; Y426-L435 HydrophobicContact CG-CD2 4.31Å; P432-L435 WeakPolarHBondContact O-CB 3.08Å; P432-L435 PolarHBondContact O-N 2.81Å; F433-L435 VanDerWaalsContact C-N 3.27Å; F433-L435 PolarHBondContact O-N 2.77Å; L435-G438 PolarHBondContact O-N 3.01Å; L435-K439 PolarHBondContact O-N 2.94Å; L435-L485 HydrophobicContact CD2-CD1 3.91Å; L435-L485 HydrophobicContact CD2-CG 4.07Å; L435-L485 WeakPolarHBondContact CD2-O 3.18Å; L435-F486 HydrophobicContact CB-CE1 4.37Å; L435-F486 HydrophobicContact CD2-CD1 3.96Å; L435-F486 HydrophobicContact CD2-CE1 4.13Å; L435-F486 WeakPolarHBondContact O-CE1 3.02Å
436	H	92.6	Very high	93.6	Very high	16 Å²	16	25 Å²	25	7%	0.074	13%	0.128	C	C	.	.	H	α-helix	trans	-68.2	-36.5	174.8	-65.2	-68.9	0	0	0	112	F41 L42 M44 P432 F433 K439 D440	F41-H436 AromaticContact CE1-ND1 3.64Å; F41-H436 AromaticContact CZ-CE1 3.91Å; F41-H436 AromaticContact CZ-ND1 3.71Å; F41-H436 PolarHBondContact O-NE2 3.48Å; L42-H436 HydrophobicContact CD2-CB 3.51Å; M44-H436 PolarHBondContact O-NE2 2.89Å; P432-H436 PolarHBondContact O-CD2 3.07Å; P432-H436 VanDerWaalsContact O-CD2 3.23Å; P432-H436 PolarHBondContact O-N 2.96Å; F433-H436 WeakPolarHBondContact O-CB 3.49Å; F433-H436 PolarHBondContact O-N 3.33Å; F433-H436 VanDerWaalsContact O-N 3.07Å; H436-K439 PolarHBondContact O-N 3Å; H436-D440 PolarHBondContact O-N 3.24Å
437	V	94.4	Very high	93.8	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.8	-48.5	171.5	177	0	0	0	0	110.5	Y387 F418 T422 F433 Y434 K439 D440 I441	Y387-V437 HydrophobicContact CD2-CB 4.35Å; Y387-V437 HydrophobicContact CD2-CG1 3.74Å; Y387-V437 HydrophobicContact CD2-CG2 3.87Å; Y387-V437 HydrophobicContact CE1-CG2 4.39Å; Y387-V437 HydrophobicContact CE2-CB 4.17Å; Y387-V437 HydrophobicContact CE2-CG1 3.95Å; Y387-V437 HydrophobicContact CE2-CG2 3.71Å; Y387-V437 HydrophobicContact CG-CG2 4.29Å; F418-V437 HydrophobicContact CE1-CG1 3.72Å; F418-V437 HydrophobicContact CZ-CG1 3.75Å; T422-V437 HydrophobicContact CG2-CB 3.91Å; T422-V437 HydrophobicContact CG2-CG1 3.85Å; F433-V437 HydrophobicContact CD1-CG2 4.22Å; F433-V437 HydrophobicContact CD2-CG2 3.89Å; F433-V437 HydrophobicContact CE1-CG2 3.72Å; F433-V437 HydrophobicContact CE2-CG2 3.32Å; F433-V437 HydrophobicContact CG-CG2 4.32Å; F433-V437 HydrophobicContact CZ-CG2 3.25Å; F433-V437 WeakPolarHBondContact O-CG2 3.41Å; F433-V437 PolarHBondContact O-N 3.44Å; Y434-V437 PolarHBondContact O-N 3.03Å; V437-K439 PolarHBondContact O-N 2.85Å; V437-D440 WeakPolarHBondContact O-CB 3.1Å; V437-D440 PolarHBondContact O-N 2.91Å; V437-D440 VanDerWaalsContact O-N 3.11Å; V437-I441 HydrophobicContact CG1-CD1 4.06Å; V437-I441 HydrophobicContact CG1-CG1 4.44Å; V437-I441 WeakPolarHBondContact O-CG1 3.42Å; V437-I441 PolarHBondContact O-N 3.5Å
438	G	98.1	Very high	94	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-56.9	-38.5	175.7	0	0	0	0	0	112.9	Y434 L435 I441 M442	Y434-G438 PolarHBondContact O-N 2.95Å; L435-G438 PolarHBondContact O-N 3.01Å; G438-I441 WeakPolarHBondContact O-CB 3.14Å; G438-I441 PolarHBondContact O-N 2.83Å; G438-M442 WeakPolarHBondContact O-CB 3.4Å; G438-M442 PolarHBondContact O-N 2.73Å
439	K	97.5	Very high	94.5	Very high	74 Å²	74	30.8 Å²	30.8	32%	0.322	15%	0.147	S	C	.	.	H	α-helix	trans	-67	-43.3	176.5	-173.7	-178.2	-176.6	-60.3	0	111.2	L54 L435 H436 V437 I441 M442 D443 F486	L54-K439 HydrophobicContact CD1-CB 4.4Å; L54-K439 HydrophobicContact CD1-CD 4.37Å; L54-K439 HydrophobicContact CD1-CG 4.42Å; L54-K439 HydrophobicContact CD2-CD 4.28Å; L54-K439 HydrophobicContact CD2-CG 4.13Å; L435-K439 PolarHBondContact O-N 2.94Å; H436-K439 PolarHBondContact O-N 3Å; V437-K439 PolarHBondContact O-N 2.85Å; K439-I441 VanDerWaalsContact C-N 3.26Å; K439-I441 PolarHBondContact O-N 3.06Å; K439-M442 PolarHBondContact O-N 2.86Å; K439-D443 IonicContact NZ-OD1 2.56Å; K439-D443 IonicContact NZ-OD2 3.31Å; K439-D443 PolarHBondContact NZ-OD2 3.47Å; K439-D443 VanDerWaalsContact O-CB 3.3Å; K439-D443 WeakPolarHBondContact O-CB 3.47Å; K439-D443 PolarHBondContact O-N 3.47Å; K439-F486 HydrophobicContact CB-CZ 4.45Å
440	D	95.6	Very high	95.1	Very high	40 Å²	40	34.5 Å²	34.5	21%	0.214	16%	0.161	C	C	.	.	H	α-helix	trans	-58.4	-38.9	173.1	-83.5	-28	0	0	0	111.7	Y387 K391 H436 V437 G444	Y387-D440 HydrophobicContact CE2-CB 4.46Å; Y387-D440 PolarHBondContact OH-OD2 2.88Å; K391-D440 WeakPolarHBondContact CD-OD2 3.23Å; K391-D440 IonicContact NZ-OD1 3.22Å; K391-D440 PolarHBondContact NZ-OD1 2.87Å; K391-D440 IonicContact NZ-OD2 3.11Å; K391-D440 PolarHBondContact NZ-OD2 2.86Å; H436-D440 PolarHBondContact O-N 3.24Å; V437-D440 WeakPolarHBondContact O-CB 3.1Å; V437-D440 PolarHBondContact O-N 2.91Å; V437-D440 VanDerWaalsContact O-N 3.11Å; D440-G444 PolarHBondContact O-N 3.29Å
441	I	98.6	Very high	95.7	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-63.7	-55.5	176.2	-65.7	167.6	0	0	0	110.2	W390 F418 A419 V437 G438 K439 D443 G444 I445 L482	W390-I441 HydrophobicContact CD2-CG1 4.17Å; W390-I441 HydrophobicContact CE3-CG1 4.14Å; W390-I441 HydrophobicContact CH2-CB 4.09Å; W390-I441 HydrophobicContact CH2-CG1 4Å; W390-I441 HydrophobicContact CH2-CG2 3.62Å; W390-I441 VanDerWaalsContact CZ2-CA 3.43Å; W390-I441 HydrophobicContact CZ2-CB 3.94Å; W390-I441 HydrophobicContact CZ2-CG1 3.96Å; W390-I441 HydrophobicContact CZ2-CG2 3.91Å; W390-I441 HydrophobicContact CZ3-CG1 4.06Å; W390-I441 HydrophobicContact CZ3-CG2 4.24Å; F418-I441 HydrophobicContact CD1-CD1 3.51Å; F418-I441 HydrophobicContact CD1-CG1 3.93Å; F418-I441 HydrophobicContact CE1-CD1 3.74Å; F418-I441 HydrophobicContact CE1-CG1 4.01Å; F418-I441 HydrophobicContact CG-CD1 4.47Å; A419-I441 HydrophobicContact CB-CD1 4.47Å; V437-I441 HydrophobicContact CG1-CD1 4.06Å; V437-I441 HydrophobicContact CG1-CG1 4.44Å; V437-I441 WeakPolarHBondContact O-CG1 3.42Å; V437-I441 PolarHBondContact O-N 3.5Å; G438-I441 WeakPolarHBondContact O-CB 3.14Å; G438-I441 PolarHBondContact O-N 2.83Å; K439-I441 VanDerWaalsContact C-N 3.26Å; K439-I441 PolarHBondContact O-N 3.06Å; I441-D443 PolarHBondContact O-N 2.95Å; I441-G444 PolarHBondContact O-N 3Å; I441-I445 HydrophobicContact CG2-CD1 3.78Å; I441-I445 WeakPolarHBondContact O-CG1 3.13Å; I441-I445 PolarHBondContact O-N 2.7Å; I441-L482 HydrophobicContact CB-CD2 4.07Å; I441-L482 HydrophobicContact CG2-CD1 3.96Å; I441-L482 HydrophobicContact CG2-CD2 3.89Å; I441-L482 HydrophobicContact CG2-CG 4.4Å
442	M	98.5	Very high	96.2	Very high	11 Å²	11	36.3 Å²	36.3	5%	0.054	18%	0.175	C	C	.	.	H	α-helix	trans	-57.3	-48	-179.4	-173.8	-163.6	68.5	0	0	111.8	L54 V58 M61 G438 K439 G444 I445 N446 L482	L54-M442 HydrophobicContact CD2-CE 3.59Å; L54-M442 HydrophobicContact CD2-SD 4.35Å; V58-M442 HydrophobicContact CG2-CG 4.04Å; V58-M442 HydrophobicContact CG2-SD 3.65Å; M61-M442 HydrophobicContact SD-CG 3.64Å; M61-M442 HydrophobicContact SD-SD 4.47Å; G438-M442 WeakPolarHBondContact O-CB 3.4Å; G438-M442 PolarHBondContact O-N 2.73Å; K439-M442 PolarHBondContact O-N 2.86Å; M442-G444 PolarHBondContact O-N 2.85Å; M442-I445 PolarHBondContact O-N 3.31Å; M442-N446 VanDerWaalsContact O-CB 3.28Å; M442-N446 WeakPolarHBondContact O-CB 3.42Å; M442-N446 PolarHBondContact O-N 2.92Å; M442-L482 HydrophobicContact CB-CD1 4.44Å
443	D	98	Very high	96.8	Very high	62 Å²	62	35.9 Å²	35.9	33%	0.332	17%	0.172	S	C	.	.	H	α-helix	trans	-63.9	-42.1	-179.8	-72.6	-15.4	0	0	0	111.4	K439 I441 K447	K439-D443 IonicContact NZ-OD1 2.56Å; K439-D443 IonicContact NZ-OD2 3.31Å; K439-D443 PolarHBondContact NZ-OD2 3.47Å; K439-D443 VanDerWaalsContact O-CB 3.3Å; K439-D443 WeakPolarHBondContact O-CB 3.47Å; K439-D443 PolarHBondContact O-N 3.47Å; I441-D443 PolarHBondContact O-N 2.95Å; D443-K447 WeakPolarHBondContact O-CB 3.33Å; D443-K447 PolarHBondContact O-N 3.34Å
444	G	98.1	Very high	97.3	Very high	7 Å²	7	35.8 Å²	35.8	7%	0.072	17%	0.171	C	C	.	.	H	α-helix	trans	-61.5	-49.5	177	0	0	0	0	0	112	D440 I441 M442 Y448	D440-G444 PolarHBondContact O-N 3.29Å; I441-G444 PolarHBondContact O-N 3Å; M442-G444 PolarHBondContact O-N 2.85Å; G444-Y448 WeakPolarHBondContact O-CB 3.23Å; G444-Y448 WeakPolarHBondContact O-CD2 3.4Å; G444-Y448 PolarHBondContact O-N 3.14Å
445	I	98.7	Very high	97.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-58.9	-57.8	176.3	-69.1	173	0	0	0	109.6	M61 W390 L395 Y412 I441 M442 K447 Y448 T449 F455 F474 T478 L482	M61-I445 HydrophobicContact CE-CB 4.36Å; M61-I445 HydrophobicContact CE-CG2 3.73Å; W390-I445 HydrophobicContact CH2-CG1 4.42Å; L395-I445 HydrophobicContact CD2-CG1 4.05Å; Y412-I445 HydrophobicContact CE1-CG1 4.36Å; I441-I445 HydrophobicContact CG2-CD1 3.78Å; I441-I445 WeakPolarHBondContact O-CG1 3.13Å; I441-I445 PolarHBondContact O-N 2.7Å; M442-I445 PolarHBondContact O-N 3.31Å; I445-K447 VanDerWaalsContact C-N 3.25Å; I445-K447 PolarHBondContact O-N 3.13Å; I445-K447 VanDerWaalsContact O-N 3.17Å; I445-Y448 PolarHBondContact O-N 2.8Å; I445-T449 WeakPolarHBondContact CG2-OG1 3.45Å; I445-T449 WeakPolarHBondContact O-CB 3.43Å; I445-T449 PolarHBondContact O-N 3.46Å; I445-T449 PolarHBondContact O-OG1 2.91Å; I445-F455 HydrophobicContact CG2-CD1 4.03Å; I445-F455 HydrophobicContact CG2-CE1 4.43Å; I445-F474 HydrophobicContact CD1-CE2 4.39Å; I445-F474 HydrophobicContact CG2-CE2 3.7Å; I445-F474 HydrophobicContact CG2-CZ 3.89Å; I445-T478 HydrophobicContact CD1-CG2 3.75Å; I445-L482 HydrophobicContact CD1-CD1 4.46Å
446	N	98.3	Very high	97.8	Very high	66 Å²	66	35.6 Å²	35.6	35%	0.353	17%	0.17	S	C	.	.	H	α-helix	trans	-59.5	-35.7	-175.1	-171.2	46.5	0	0	0	113.2	M61 M442 K450	M61-N446 HydrophobicContact CE-CB 3.94Å; M61-N446 HydrophobicContact SD-CB 4.11Å; M442-N446 VanDerWaalsContact O-CB 3.28Å; M442-N446 WeakPolarHBondContact O-CB 3.42Å; M442-N446 PolarHBondContact O-N 2.92Å; N446-K450 VanDerWaalsContact O-CB 3.29Å; N446-K450 WeakPolarHBondContact O-CB 3.34Å
447	K	98.2	Very high	98.1	Very high	138 Å²	138	35 Å²	35	60%	0.6	17%	0.168	S	C	*	.	H	α-helix	trans	-73.8	-44	179.3	-178.3	176.1	179.7	-179	0	113.2	D443 I445	D443-K447 WeakPolarHBondContact O-CB 3.33Å; D443-K447 PolarHBondContact O-N 3.34Å; I445-K447 VanDerWaalsContact C-N 3.25Å; I445-K447 PolarHBondContact O-N 3.13Å; I445-K447 VanDerWaalsContact O-N 3.17Å
448	Y	98.5	Very high	98.3	Very high	64 Å²	64	35 Å²	35	25%	0.251	17%	0.168	S	C	.	.	H	α-helix	trans	-100.4	-34.1	-167.5	-63.6	-60.4	0	0	0	113.1	L395 G444 I445 K464 K466	L395-Y448 HydrophobicContact CD1-CD2 4.27Å; L395-Y448 HydrophobicContact CD1-CG 4.38Å; L395-Y448 HydrophobicContact CG-CD2 4.23Å; G444-Y448 WeakPolarHBondContact O-CB 3.23Å; G444-Y448 WeakPolarHBondContact O-CD2 3.4Å; G444-Y448 PolarHBondContact O-N 3.14Å; I445-Y448 PolarHBondContact O-N 2.8Å; Y448-K464 HydrophobicContact CD1-CB 4.33Å; Y448-K464 HydrophobicContact CD1-CD 3.97Å; Y448-K464 HydrophobicContact CD1-CG 3.79Å; Y448-K464 HydrophobicContact CE1-CD 4.48Å; Y448-K464 HydrophobicContact CE1-CG 4.16Å; Y448-K464 HydrophobicContact CG-CD 4.04Å; Y448-K464 HydrophobicContact CG-CG 4.37Å; Y448-K466 WeakPolarHBondContact O-CE 3.45Å; Y448-K466 PolarHBondContact O-NZ 2.85Å
449	T	98.7	Very high	98.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-22.9	-169.2	76.4	0	0	0	0	113.1	L395 L414 I445 A451 F455 A456 I458 K466	L395-T449 HydrophobicContact CD1-CG2 3.71Å; L395-T449 HydrophobicContact CD2-CG2 4.47Å; L414-T449 HydrophobicContact CD2-CG2 3.65Å; I445-T449 WeakPolarHBondContact CG2-OG1 3.45Å; I445-T449 WeakPolarHBondContact O-CB 3.43Å; I445-T449 PolarHBondContact O-N 3.46Å; I445-T449 PolarHBondContact O-OG1 2.91Å; T449-A451 PolarHBondContact O-N 3.06Å; T449-F455 CarbonylContact O-C 3.55Å; T449-F455 WeakPolarHBondContact O-CA 3.26Å; T449-F455 WeakPolarHBondContact OG1-CD1 3.41Å; T449-A456 VanDerWaalsContact CB-O 3.31Å; T449-A456 WeakPolarHBondContact CB-O 3.47Å; T449-A456 PolarHBondContact O-N 3.17Å; T449-I458 HydrophobicContact CG2-CD1 4.13Å; T449-I458 HydrophobicContact CG2-CG1 3.82Å; T449-K466 WeakPolarHBondContact O-CE 3.41Å
450	K	98.7	Very high	98.3	Very high	98 Å²	98	37.6 Å²	37.6	43%	0.426	18%	0.182	S	C	.	.	B	Isolated β-bridge	trans	-53.7	129.2	177.8	-168.9	172.6	-175.7	171.6	0	111.9	F64 N446 F455 K466	F64-K450 HydrophobicContact CE1-CD 4.38Å; F64-K450 HydrophobicContact CE1-CG 3.95Å; N446-K450 VanDerWaalsContact O-CB 3.29Å; N446-K450 WeakPolarHBondContact O-CB 3.34Å; K450-F455 HydrophobicContact CB-CD1 3.95Å; K450-F455 HydrophobicContact CB-CE1 3.83Å; K450-F455 HydrophobicContact CD-CE1 4.47Å; K450-F455 HydrophobicContact CG-CD1 4.47Å; K450-F455 HydrophobicContact CG-CE1 4.09Å; K450-K466 WeakPolarHBondContact O-CE 3.12Å
451	A	98.6	Very high	98.4	Very high	19 Å²	19	35.7 Å²	35.7	16%	0.157	17%	0.172	C	C	.	.			trans	-122.9	-168.4	178.9	0	0	0	0	0	110	F64 P81 I82 T449 G454 A456	F64-A451 WeakPolarHBondContact CZ-O 3.48Å; P81-A451 HydrophobicContact CB-CB 4.11Å; P81-A451 HydrophobicContact CG-CB 4.4Å; P81-A451 WeakPolarHBondContact O-CB 3.44Å; I82-A451 HydrophobicContact CG1-CB 3.97Å; T449-A451 PolarHBondContact O-N 3.06Å; A451-G454 PolarHBondContact N-O 3.43Å; A451-A456 HydrophobicContact CB-CB 4.15Å
452	E	98.4	Very high	98.2	Very high	148 Å²	148	40 Å²	40	69%	0.692	19%	0.194	S	C	*	.	S	Bend	trans	-64.7	-43.5	-175.1	-175	65.9	-170.8	0	0	112.3	F64 P81 C84	F64-E452 WeakPolarHBondContact CZ-O 3.4Å; P81-E452 PolarHBondContact O-N 3.46Å; C84-E452 VanDerWaalsContact SG-CG 3.56Å
453	C	98.5	Very high	98.2	Very high	4 Å²	4	44.3 Å²	44.3	3%	0.027	22%	0.217	C	C	.	.	S	Bend	trans	-124.4	22.4	-174	-66.1	0	0	0	0	113.1	S68 Y72 L79 P81 C84	S68-C453 WeakPolarHBondContact CB-O 3.41Å; S68-C453 PolarHBondContact OG-O 3.01Å; Y72-C453 HydrophobicContact CD2-CB 4.07Å; Y72-C453 HydrophobicContact CE2-CB 4.33Å; Y72-C453 WeakPolarHBondContact CE2-SG 3.48Å; L79-C453 HydrophobicContact CD2-CB 4.21Å; L79-C453 WeakPolarHBondContact CD2-O 3.44Å; P81-C453 PolarHBondContact O-N 3.37Å; C84-C453 HydrophobicContact CB-CB 3.8Å; C84-C453 WeakPolarHBondContact CB-SG 3.46Å; C84-C453 WeakPolarHBondContact SG-CB 3.39Å; C84-C453 CovalentContact SG-SG 2.02Å; C84-C453 PolarHBondContact SG-SG 2.9Å
454	G	98.6	Very high	98.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	160.7	-147	179.3	0	0	0	0	0	112.6	F64 A451	F64-G454 WeakPolarHBondContact CE1-O 3.39Å; A451-G454 PolarHBondContact N-O 3.43Å
455	F	98.8	Very high	98.2	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-122.7	124.7	178.5	-61.1	-96.2	0	0	0	109.2	M61 F64 A65 L414 I445 T449 K450 M470 F474	M61-F455 HydrophobicContact CB-CE2 4.13Å; M61-F455 HydrophobicContact CB-CZ 3.79Å; M61-F455 HydrophobicContact CE-CD1 4.48Å; M61-F455 HydrophobicContact CE-CE1 3.71Å; M61-F455 HydrophobicContact CE-CZ 3.78Å; M61-F455 HydrophobicContact CG-CZ 3.85Å; M61-F455 WeakPolarHBondContact O-CE2 3.35Å; F64-F455 HydrophobicContact CD1-CD2 4.45Å; F64-F455 AromaticContact CD1-CE2 3.73Å; F64-F455 HydrophobicContact CD1-CE2 3.73Å; F64-F455 HydrophobicContact CD1-CZ 4.06Å; F64-F455 HydrophobicContact CE1-CE2 4.3Å; A65-F455 HydrophobicContact CB-CD2 3.93Å; A65-F455 HydrophobicContact CB-CE2 4.06Å; L414-F455 HydrophobicContact CD1-CB 4.07Å; L414-F455 WeakPolarHBondContact CD1-O 3.48Å; I445-F455 HydrophobicContact CG2-CD1 4.03Å; I445-F455 HydrophobicContact CG2-CE1 4.43Å; T449-F455 CarbonylContact O-C 3.55Å; T449-F455 WeakPolarHBondContact O-CA 3.26Å; T449-F455 WeakPolarHBondContact OG1-CD1 3.41Å; K450-F455 HydrophobicContact CB-CD1 3.95Å; K450-F455 HydrophobicContact CB-CE1 3.83Å; K450-F455 HydrophobicContact CD-CE1 4.47Å; K450-F455 HydrophobicContact CG-CD1 4.47Å; K450-F455 HydrophobicContact CG-CE1 4.09Å; F455-M470 HydrophobicContact CB-SD 4.49Å; F455-M470 PolarHBondContact N-SD 3.49Å; F455-M470 VanDerWaalsContact N-SD 3.44Å; F455-M470 WeakPolarHBondContact O-CB 3.33Å; F455-M470 VanDerWaalsContact O-CG 3.25Å; F455-M470 WeakPolarHBondContact O-CG 3.26Å; F455-F474 HydrophobicContact CB-CD1 4.21Å; F455-F474 HydrophobicContact CB-CE1 3.68Å; F455-F474 HydrophobicContact CB-CZ 3.82Å; F455-F474 HydrophobicContact CD1-CE1 4.48Å; F455-F474 HydrophobicContact CD1-CZ 4.1Å; F455-F474 HydrophobicContact CD2-CD1 4.19Å; F455-F474 AromaticContact CD2-CE1 3.15Å; F455-F474 HydrophobicContact CD2-CE1 3.15Å; F455-F474 AromaticContact CD2-CZ 3.55Å; F455-F474 HydrophobicContact CD2-CZ 3.55Å; F455-F474 AromaticContact CE2-CE1 3.83Å; F455-F474 HydrophobicContact CE2-CE1 3.83Å; F455-F474 HydrophobicContact CE2-CZ 4.07Å; F455-F474 HydrophobicContact CG-CD1 4.49Å; F455-F474 AromaticContact CG-CE1 3.53Å; F455-F474 HydrophobicContact CG-CE1 3.53Å; F455-F474 AromaticContact CG-CZ 3.54Å; F455-F474 HydrophobicContact CG-CZ 3.54Å
456	A	98.8	Very high	98.2	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-92.1	143.5	-175.9	0	0	0	0	0	111.3	P81 I82 T449 A451 K466 E467	P81-A456 HydrophobicContact CG-CB 3.87Å; I82-A456 HydrophobicContact CD1-CB 4.3Å; I82-A456 HydrophobicContact CG1-CB 4.2Å; T449-A456 VanDerWaalsContact CB-O 3.31Å; T449-A456 WeakPolarHBondContact CB-O 3.47Å; T449-A456 PolarHBondContact O-N 3.17Å; A451-A456 HydrophobicContact CB-CB 4.15Å; A456-K466 HydrophobicContact CB-CB 4Å; A456-K466 HydrophobicContact CB-CD 3.92Å; A456-K466 HydrophobicContact CB-CG 4.14Å; A456-E467 WeakPolarHBondContact CB-O 3.33Å
457	T	98.6	Very high	98.1	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.018	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.8	140.8	161.4	-67.6	0	0	0	0	109.9	P413 K466 E467 R469	P413-T457 HydrophobicContact CB-CG2 4.2Å; T457-K466 CarbonylContact O-C 3.4Å; T457-K466 WeakPolarHBondContact O-CA 3.43Å; T457-E467 HydrophobicContact CG2-CB 4.02Å; T457-E467 PolarHBondContact N-O 2.74Å; T457-E467 PolarHBondContact O-N 3.3Å; T457-R469 PolarHBondContact N-O 2.56Å; T457-R469 PolarHBondContact OG1-O 2.98Å; T457-R469 VanDerWaalsContact OG1-O 3.06Å
458	I	98.6	Very high	98.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	121.9	171.2	-63.6	-63.4	0	0	0	107.7	L395 F411 Y412 T449 N460 V461 S465 K466	L395-I458 HydrophobicContact CD1-CD1 4.43Å; L395-I458 HydrophobicContact CD1-CG1 3.65Å; F411-I458 CarbonylContact C-O 3.51Å; F411-I458 WeakPolarHBondContact CA-O 2.79Å; F411-I458 WeakPolarHBondContact CB-O 3.43Å; Y412-I458 PolarHBondContact N-O 3.29Å; Y412-I458 PolarHBondContact O-N 3.01Å; T449-I458 HydrophobicContact CG2-CD1 4.13Å; T449-I458 HydrophobicContact CG2-CG1 3.82Å; I458-N460 VanDerWaalsContact CG2-C 3.43Å; I458-N460 WeakPolarHBondContact CG2-O 3.21Å; I458-V461 HydrophobicContact CG2-CG1 4.27Å; I458-S465 CarbonylContact C-O 3.53Å; I458-S465 WeakPolarHBondContact CA-O 3.46Å; I458-K466 HydrophobicContact CD1-CG 4.06Å
459	H	98.4	Very high	98.1	Very high	98 Å²	98	43.3 Å²	43.3	45%	0.454	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	-41.1	174.7	-177.8	58.9	0	0	0	111.5	Y410 F411 S465 E467	Y410-H459 CarbonylContact C-O 3.33Å; F411-H459 VanDerWaalsContact CA-O 3.22Å; F411-H459 WeakPolarHBondContact CA-O 3.37Å; F411-H459 WeakPolarHBondContact CB-O 3.17Å; F411-H459 PolarHBondContact N-O 3.36Å; H459-S465 PolarHBondContact N-O 2.86Å; H459-E467 HydrophobicContact CB-CG 3.92Å; H459-E467 IonicContact CE1-OE1 2.73Å; H459-E467 IonicContact CG-OE1 3.58Å; H459-E467 IonicContact ND1-OE1 3.54Å; H459-E467 PolarHBondContact ND1-OE1 2.8Å
460	N	98.2	Very high	98.1	Very high	31 Å²	31	43.4 Å²	43.4	17%	0.166	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	116.1	-177.1	-175.4	-26	0	0	0	111.7	Y410 I458 I462 D463 K464	Y410-N460 CarbonylContact O-C 3.52Å; Y410-N460 WeakPolarHBondContact O-CA 3.42Å; I458-N460 VanDerWaalsContact CG2-C 3.43Å; I458-N460 WeakPolarHBondContact CG2-O 3.21Å; N460-I462 PolarHBondContact O-N 2.86Å; N460-I462 VanDerWaalsContact O-N 3.11Å; N460-I462 WeakPolarHBondContact OD1-CB 3.44Å; N460-I462 PolarHBondContact OD1-N 2.81Å; N460-D463 WeakPolarHBondContact CB-OD1 3.48Å; N460-K464 VanDerWaalsContact O-CA 3.29Å; N460-K464 WeakPolarHBondContact O-CA 3.16Å; N460-K464 PolarHBondContact O-N 2.68Å
461	V	97.1	Very high	98	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-6.8	-179.7	-65.5	0	0	0	0	114.1	Y393 L395 P397 P407 Y410 I458 K464	Y393-V461 HydrophobicContact CD1-CG2 4.01Å; Y393-V461 HydrophobicContact CG-CB 4.46Å; Y393-V461 HydrophobicContact CG-CG2 4.03Å; L395-V461 HydrophobicContact CB-CG1 4.3Å; P397-V461 HydrophobicContact CB-CG2 3.73Å; P397-V461 HydrophobicContact CG-CG2 4.29Å; P407-V461 HydrophobicContact CG-CG2 4.43Å; Y410-V461 WeakPolarHBondContact O-CG1 3.42Å; Y410-V461 PolarHBondContact O-N 3.08Å; I458-V461 HydrophobicContact CG2-CG1 4.27Å; V461-K464 PolarHBondContact O-NZ 2.65Å
462	I	94.6	Very high	98	Very high	91 Å²	91	38.7 Å²	38.7	47%	0.467	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-57.2	174.2	-61.5	-178.2	0	0	0	110.1	Y393 Y410 N460	Y393-I462 HydrophobicContact CD1-CG1 4.46Å; Y393-I462 HydrophobicContact CE1-CG1 4.17Å; Y410-I462 HydrophobicContact CD1-CD1 4.03Å; Y410-I462 HydrophobicContact CD1-CG1 4.29Å; Y410-I462 HydrophobicContact CE1-CD1 3.66Å; Y410-I462 HydrophobicContact CE1-CG1 4.4Å; N460-I462 PolarHBondContact O-N 2.86Å; N460-I462 VanDerWaalsContact O-N 3.11Å; N460-I462 WeakPolarHBondContact OD1-CB 3.44Å; N460-I462 PolarHBondContact OD1-N 2.81Å
463	D	97.3	Very high	98	Very high	101 Å²	101	32.1 Å²	32.1	54%	0.54	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-11.1	-176.7	64.6	26	0	0	0	114	N460 S465	N460-D463 WeakPolarHBondContact CB-OD1 3.48Å; D463-S465 PolarHBondContact O-N 3.32Å; D463-S465 VanDerWaalsContact OD1-CB 3.22Å; D463-S465 WeakPolarHBondContact OD1-CB 2.95Å; D463-S465 PolarHBondContact OD1-N 3.18Å; D463-S465 PolarHBondContact OD1-OG 2.99Å
464	K	97.7	Very high	98	Very high	42 Å²	42	31.9 Å²	31.9	18%	0.183	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	26.4	-178.6	-54.4	-61.8	-164.5	-70.5	0	113.8	Y393 Y448 N460 V461	Y393-K464 VanDerWaalsContact O-CE 3.27Å; Y393-K464 WeakPolarHBondContact O-CE 3.44Å; Y393-K464 PolarHBondContact O-NZ 3.24Å; Y448-K464 HydrophobicContact CD1-CB 4.33Å; Y448-K464 HydrophobicContact CD1-CD 3.97Å; Y448-K464 HydrophobicContact CD1-CG 3.79Å; Y448-K464 HydrophobicContact CE1-CD 4.48Å; Y448-K464 HydrophobicContact CE1-CG 4.16Å; Y448-K464 HydrophobicContact CG-CD 4.04Å; Y448-K464 HydrophobicContact CG-CG 4.37Å; N460-K464 VanDerWaalsContact O-CA 3.29Å; N460-K464 WeakPolarHBondContact O-CA 3.16Å; N460-K464 PolarHBondContact O-N 2.68Å; V461-K464 PolarHBondContact O-NZ 2.65Å
465	S	98.4	Very high	98.1	Very high	42 Å²	42	32 Å²	32	29%	0.294	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	143.4	167.4	51.3	0	0	0	0	110.6	I458 H459 D463	I458-S465 CarbonylContact C-O 3.53Å; I458-S465 WeakPolarHBondContact CA-O 3.46Å; H459-S465 PolarHBondContact N-O 2.86Å; D463-S465 PolarHBondContact O-N 3.32Å; D463-S465 VanDerWaalsContact OD1-CB 3.22Å; D463-S465 WeakPolarHBondContact OD1-CB 2.95Å; D463-S465 PolarHBondContact OD1-N 3.18Å; D463-S465 PolarHBondContact OD1-OG 2.99Å
466	K	98.5	Very high	98.1	Very high	85 Å²	85	32 Å²	32	37%	0.37	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	145	-175.8	-66.3	179	167.1	78.9	0	111	I82 Y448 T449 K450 A456 T457 I458	I82-K466 HydrophobicContact CD1-CB 3.76Å; I82-K466 HydrophobicContact CD1-CD 4.42Å; Y448-K466 WeakPolarHBondContact O-CE 3.45Å; Y448-K466 PolarHBondContact O-NZ 2.85Å; T449-K466 WeakPolarHBondContact O-CE 3.41Å; K450-K466 WeakPolarHBondContact O-CE 3.12Å; A456-K466 HydrophobicContact CB-CB 4Å; A456-K466 HydrophobicContact CB-CD 3.92Å; A456-K466 HydrophobicContact CB-CG 4.14Å; T457-K466 CarbonylContact O-C 3.4Å; T457-K466 WeakPolarHBondContact O-CA 3.43Å; I458-K466 HydrophobicContact CD1-CG 4.06Å
467	E	97.6	Very high	98.1	Very high	75 Å²	75	32.2 Å²	32.2	35%	0.35	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	136.7	164.2	-89.1	171	-152.3	0	0	109	A456 T457 H459 R469	A456-E467 WeakPolarHBondContact CB-O 3.33Å; T457-E467 HydrophobicContact CG2-CB 4.02Å; T457-E467 PolarHBondContact N-O 2.74Å; T457-E467 PolarHBondContact O-N 3.3Å; H459-E467 HydrophobicContact CB-CG 3.92Å; H459-E467 IonicContact CE1-OE1 2.73Å; H459-E467 IonicContact CG-OE1 3.58Å; H459-E467 IonicContact ND1-OE1 3.54Å; H459-E467 PolarHBondContact ND1-OE1 2.8Å; E467-R469 PolarHBondContact O-N 3.32Å
468	D	98.3	Very high	98.1	Very high	34 Å²	34	32 Å²	32	18%	0.182	16%	0.158	C	C	.	.	S	Bend	trans	-77.6	70.6	-177	-163.3	10.5	0	0	0	112.3	N80 P81 I82 D83	N80-D468 VanDerWaalsContact CA-OD1 3.3Å; N80-D468 WeakPolarHBondContact CA-OD1 3.12Å; N80-D468 WeakPolarHBondContact CB-OD1 3.5Å; N80-D468 WeakPolarHBondContact CB-OD2 3.41Å; N80-D468 PolarHBondContact OD1-O 2.82Å; P81-D468 WeakPolarHBondContact CD-OD1 3.03Å; I82-D468 HydrophobicContact CB-CB 4.14Å; I82-D468 WeakPolarHBondContact CB-OD1 3.28Å; I82-D468 HydrophobicContact CD1-CB 3.98Å; I82-D468 HydrophobicContact CG1-CB 4.19Å; I82-D468 PolarHBondContact N-OD1 3.34Å; D83-D468 WeakPolarHBondContact CB-OD2 3.43Å; D83-D468 PolarHBondContact N-OD2 3.04Å
469	R	97.4	Very high	98.1	Very high	38 Å²	38	32 Å²	32	14%	0.143	16%	0.158	C	C	.	.			trans	-151.1	128.8	176.5	-173.2	178.8	-175.8	-179.4	-9.5	110.6	E78 N98 T457 E467 E471	E78-R469 IonicContact OE2-NE 3.6Å; E78-R469 PolarHBondContact OE2-NE 3.39Å; E78-R469 IonicContact OE2-NH2 2.8Å; N98-R469 PolarHBondContact O-NH1 2.98Å; T457-R469 PolarHBondContact N-O 2.56Å; T457-R469 PolarHBondContact OG1-O 2.98Å; T457-R469 VanDerWaalsContact OG1-O 3.06Å; E467-R469 PolarHBondContact O-N 3.32Å; R469-E471 VanDerWaalsContact CZ-CD 3.4Å; R469-E471 IonicContact CZ-OE1 3.33Å; R469-E471 IonicContact CZ-OE2 3.32Å; R469-E471 IonicContact NE-OE1 2.65Å; R469-E471 PolarHBondContact NE-OE1 2.88Å; R469-E471 IonicContact NE-OE2 3.64Å; R469-E471 IonicContact NH1-OE1 3.66Å; R469-E471 PolarHBondContact NH1-OE1 3.47Å; R469-E471 VanDerWaalsContact NH2-CD 3.28Å; R469-E471 IonicContact NH2-OE1 3Å; R469-E471 PolarHBondContact NH2-OE1 3.4Å; R469-E471 IonicContact NH2-OE2 3.81Å; R469-E471 PolarHBondContact NH2-OE2 3.38Å
470	M	98.5	Very high	98.1	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.01	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-113	110.2	165.8	-172.9	169.7	69.1	0	0	108.3	A65 L79 P81 L414 F455 F474	A65-M470 HydrophobicContact CB-CE 4.04Å; A65-M470 HydrophobicContact CB-SD 3.77Å; L79-M470 HydrophobicContact CB-CE 4.18Å; L79-M470 HydrophobicContact CD2-CE 4.02Å; L79-M470 PolarHBondContact O-N 3.04Å; P81-M470 HydrophobicContact CB-CB 4.39Å; P81-M470 HydrophobicContact CG-CB 4.04Å; L414-M470 HydrophobicContact CD1-CG 4.33Å; F455-M470 HydrophobicContact CB-SD 4.49Å; F455-M470 PolarHBondContact N-SD 3.49Å; F455-M470 VanDerWaalsContact N-SD 3.44Å; F455-M470 WeakPolarHBondContact O-CB 3.33Å; F455-M470 VanDerWaalsContact O-CG 3.25Å; F455-M470 WeakPolarHBondContact O-CG 3.26Å; M470-F474 HydrophobicContact CG-CB 4.44Å; M470-F474 HydrophobicContact CG-CD1 4.17Å; M470-F474 HydrophobicContact SD-CD1 4Å
471	E	97.9	Very high	98.1	Very high	18 Å²	18	26 Å²	26	8%	0.084	13%	0.129	C	C	.	.			trans	-66.4	140.9	176.7	-61.8	-84.9	-179.2	0	0	110.2	E78 R153 R469 F473 F474	E78-E471 WeakPolarHBondContact OE1-CA 3.43Å; R153-E471 IonicContact NH1-OE2 3.47Å; R469-E471 VanDerWaalsContact CZ-CD 3.4Å; R469-E471 IonicContact CZ-OE1 3.33Å; R469-E471 IonicContact CZ-OE2 3.32Å; R469-E471 IonicContact NE-OE1 2.65Å; R469-E471 PolarHBondContact NE-OE1 2.88Å; R469-E471 IonicContact NE-OE2 3.64Å; R469-E471 IonicContact NH1-OE1 3.66Å; R469-E471 PolarHBondContact NH1-OE1 3.47Å; R469-E471 VanDerWaalsContact NH2-CD 3.28Å; R469-E471 IonicContact NH2-OE1 3Å; R469-E471 PolarHBondContact NH2-OE1 3.4Å; R469-E471 IonicContact NH2-OE2 3.81Å; R469-E471 PolarHBondContact NH2-OE2 3.38Å; E471-F473 HydrophobicContact CB-CD1 3.68Å; E471-F473 HydrophobicContact CB-CD2 4.03Å; E471-F473 HydrophobicContact CB-CE1 3.38Å; E471-F473 HydrophobicContact CB-CE2 3.74Å; E471-F473 HydrophobicContact CB-CG 3.98Å; E471-F473 HydrophobicContact CB-CZ 3.42Å; E471-F473 VanDerWaalsContact CB-CZ 3.42Å; E471-F473 HydrophobicContact CG-CD1 4.33Å; E471-F473 HydrophobicContact CG-CE1 3.54Å; E471-F473 HydrophobicContact CG-CE2 4.14Å; E471-F473 HydrophobicContact CG-CZ 3.42Å; E471-F473 VanDerWaalsContact CG-CZ 3.42Å; E471-F473 PolarHBondContact O-N 3.03Å; E471-F474 VanDerWaalsContact O-CB 3.31Å; E471-F474 WeakPolarHBondContact O-CB 3.26Å; E471-F474 PolarHBondContact O-N 3.29Å
472	S	98.5	Very high	98.2	Very high	1 Å²	1	26 Å²	26	1%	0.007	13%	0.129	C	C	.	.	H	α-helix	trans	-48.1	-41.3	174.5	37.2	0	0	0	0	113.5	E78 L108 D112 R153 F474 L475 S476	E78-S472 PolarHBondContact OE1-N 2.85Å; E78-S472 PolarHBondContact OE1-OG 2.98Å; L108-S472 WeakPolarHBondContact CD2-OG 3.14Å; L108-S472 WeakPolarHBondContact CG-OG 3.05Å; D112-S472 WeakPolarHBondContact OD2-CB 3.49Å; R153-S472 PolarHBondContact NH1-OG 3.33Å; S472-F474 PolarHBondContact O-N 3.3Å; S472-F474 VanDerWaalsContact O-N 3.11Å; S472-L475 PolarHBondContact O-N 2.86Å; S472-L475 VanDerWaalsContact O-N 3.1Å; S472-S476 PolarHBondContact O-N 2.83Å
473	F	98.5	Very high	98.4	Very high	9 Å²	9	23 Å²	23	4%	0.039	11%	0.112	C	C	.	.	H	α-helix	trans	-61.6	-20.2	179.9	62.1	-115.6	0	0	0	115.5	P413 L414 P416 E471 L475 S476 E477 T478	P413-F473 WeakPolarHBondContact O-CE2 3.42Å; P413-F473 WeakPolarHBondContact O-CZ 3.1Å; L414-F473 HydrophobicContact CB-CE2 4.47Å; P416-F473 HydrophobicContact CG-CD2 4.49Å; E471-F473 HydrophobicContact CB-CD1 3.68Å; E471-F473 HydrophobicContact CB-CD2 4.03Å; E471-F473 HydrophobicContact CB-CE1 3.38Å; E471-F473 HydrophobicContact CB-CE2 3.74Å; E471-F473 HydrophobicContact CB-CG 3.98Å; E471-F473 HydrophobicContact CB-CZ 3.42Å; E471-F473 VanDerWaalsContact CB-CZ 3.42Å; E471-F473 HydrophobicContact CG-CD1 4.33Å; E471-F473 HydrophobicContact CG-CE1 3.54Å; E471-F473 HydrophobicContact CG-CE2 4.14Å; E471-F473 HydrophobicContact CG-CZ 3.42Å; E471-F473 VanDerWaalsContact CG-CZ 3.42Å; E471-F473 PolarHBondContact O-N 3.03Å; F473-L475 VanDerWaalsContact C-N 3.27Å; F473-L475 PolarHBondContact O-N 2.62Å; F473-S476 VanDerWaalsContact CA-OG 3.26Å; F473-S476 WeakPolarHBondContact CA-OG 3.28Å; F473-E477 HydrophobicContact CB-CG 4.14Å; F473-E477 VanDerWaalsContact CB-OE1 3.22Å; F473-E477 WeakPolarHBondContact CB-OE1 3.07Å; F473-E477 WeakPolarHBondContact O-CA 3.1Å; F473-E477 VanDerWaalsContact O-CB 3.27Å; F473-E477 WeakPolarHBondContact O-CB 3.29Å; F473-E477 PolarHBondContact O-N 2.77Å; F473-T478 PolarHBondContact O-N 3.5Å; F473-T478 VanDerWaalsContact O-N 3.14Å
474	F	98.8	Very high	98.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.086	C	C	.	.	I	π-helix	trans	-61.7	-41.7	175.8	176.4	-109.9	0	0	0	111	M61 A65 L414 I445 F455 M470 E471 S472 T478 L479	M61-F474 HydrophobicContact CE-CZ 4.5Å; A65-F474 HydrophobicContact CB-CE1 4.45Å; L414-F474 HydrophobicContact CB-CB 4.09Å; L414-F474 HydrophobicContact CB-CD2 3.68Å; L414-F474 HydrophobicContact CB-CE2 4.49Å; L414-F474 HydrophobicContact CB-CG 4.13Å; L414-F474 HydrophobicContact CD1-CB 3.98Å; L414-F474 HydrophobicContact CD1-CD1 4.35Å; L414-F474 HydrophobicContact CD1-CD2 3.96Å; L414-F474 HydrophobicContact CD1-CG 3.8Å; L414-F474 HydrophobicContact CD2-CD2 4.41Å; L414-F474 HydrophobicContact CG-CD2 4.24Å; I445-F474 HydrophobicContact CD1-CE2 4.39Å; I445-F474 HydrophobicContact CG2-CE2 3.7Å; I445-F474 HydrophobicContact CG2-CZ 3.89Å; F455-F474 HydrophobicContact CB-CD1 4.21Å; F455-F474 HydrophobicContact CB-CE1 3.68Å; F455-F474 HydrophobicContact CB-CZ 3.82Å; F455-F474 HydrophobicContact CD1-CE1 4.48Å; F455-F474 HydrophobicContact CD1-CZ 4.1Å; F455-F474 HydrophobicContact CD2-CD1 4.19Å; F455-F474 AromaticContact CD2-CE1 3.15Å; F455-F474 HydrophobicContact CD2-CE1 3.15Å; F455-F474 AromaticContact CD2-CZ 3.55Å; F455-F474 HydrophobicContact CD2-CZ 3.55Å; F455-F474 AromaticContact CE2-CE1 3.83Å; F455-F474 HydrophobicContact CE2-CE1 3.83Å; F455-F474 HydrophobicContact CE2-CZ 4.07Å; F455-F474 HydrophobicContact CG-CD1 4.49Å; F455-F474 AromaticContact CG-CE1 3.53Å; F455-F474 HydrophobicContact CG-CE1 3.53Å; F455-F474 AromaticContact CG-CZ 3.54Å; F455-F474 HydrophobicContact CG-CZ 3.54Å; M470-F474 HydrophobicContact CG-CB 4.44Å; M470-F474 HydrophobicContact CG-CD1 4.17Å; M470-F474 HydrophobicContact SD-CD1 4Å; E471-F474 VanDerWaalsContact O-CB 3.31Å; E471-F474 WeakPolarHBondContact O-CB 3.26Å; E471-F474 PolarHBondContact O-N 3.29Å; S472-F474 PolarHBondContact O-N 3.3Å; S472-F474 VanDerWaalsContact O-N 3.11Å; F474-T478 HydrophobicContact CD2-CG2 4.04Å; F474-T478 HydrophobicContact CE2-CG2 4.14Å; F474-L479 HydrophobicContact CD1-CD1 4.24Å; F474-L479 HydrophobicContact CD1-CG 4.49Å; F474-L479 HydrophobicContact CE1-CD1 3.6Å; F474-L479 HydrophobicContact CE1-CD2 4.33Å; F474-L479 HydrophobicContact CE1-CG 3.96Å; F474-L479 HydrophobicContact CE2-CD2 4Å; F474-L479 HydrophobicContact CE2-CG 4.03Å; F474-L479 HydrophobicContact CZ-CD1 3.82Å; F474-L479 HydrophobicContact CZ-CD2 3.69Å; F474-L479 HydrophobicContact CZ-CG 3.75Å; F474-L479 WeakPolarHBondContact O-CG 3.02Å; F474-L479 PolarHBondContact O-N 2.87Å
475	L	98.9	Very high	98.5	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	8%	0.078	C	C	.	.	I	π-helix	trans	-76.6	-48.7	175.7	-69.9	-177.4	0	0	0	111.3	F62 A65 Y66 T109 S472 F473 E477 L479	F62-L475 HydrophobicContact CD2-CB 4.35Å; F62-L475 HydrophobicContact CD2-CD2 3.78Å; F62-L475 HydrophobicContact CE2-CB 3.93Å; F62-L475 HydrophobicContact CE2-CD2 4.02Å; F62-L475 HydrophobicContact CE2-CG 4.48Å; F62-L475 HydrophobicContact CG-CD2 4.3Å; A65-L475 HydrophobicContact CB-CD2 3.62Å; Y66-L475 HydrophobicContact CD2-CD1 4.18Å; T109-L475 HydrophobicContact CG2-CD1 3.69Å; S472-L475 PolarHBondContact O-N 2.86Å; S472-L475 VanDerWaalsContact O-N 3.1Å; F473-L475 VanDerWaalsContact C-N 3.27Å; F473-L475 PolarHBondContact O-N 2.62Å; L475-E477 VanDerWaalsContact C-N 3.33Å; L475-E477 PolarHBondContact O-N 3.04Å; L475-L479 HydrophobicContact CD2-CD1 3.97Å
476	S	98.7	Very high	98.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	6%	0.064	C	C	.	.	I	π-helix	trans	-74.3	-22	-171.9	62.4	0	0	0	0	114	D112 T116 S472 F473 K480	D112-S476 WeakPolarHBondContact O-CB 3.48Å; D112-S476 PolarHBondContact OD1-OG 3.28Å; D112-S476 WeakPolarHBondContact OD2-CB 3.3Å; D112-S476 PolarHBondContact OD2-OG 2.63Å; T116-S476 WeakPolarHBondContact OG1-CA 3.48Å; T116-S476 PolarHBondContact OG1-O 2.8Å; S472-S476 PolarHBondContact O-N 2.83Å; F473-S476 VanDerWaalsContact CA-OG 3.26Å; F473-S476 WeakPolarHBondContact CA-OG 3.28Å; S476-K480 WeakPolarHBondContact O-CB 3.3Å; S476-K480 WeakPolarHBondContact O-CD 3.32Å; S476-K480 WeakPolarHBondContact O-CE 3.48Å; S476-K480 PolarHBondContact O-NZ 3.22Å
477	E	98.8	Very high	98.5	Very high	5 Å²	5	12 Å²	12	2%	0.023	6%	0.056	C	C	.	.	I	π-helix	trans	-129.2	-63.2	-172.9	-52	-166.7	-104.1	0	0	113.1	P416 F473 L475 L479 K480 Y481 Q504 A505	P416-E477 HydrophobicContact CB-CB 3.41Å; P416-E477 VanDerWaalsContact CB-CB 3.41Å; P416-E477 HydrophobicContact CB-CG 4.44Å; P416-E477 HydrophobicContact CG-CB 3.85Å; P416-E477 HydrophobicContact CG-CG 4.41Å; F473-E477 HydrophobicContact CB-CG 4.14Å; F473-E477 VanDerWaalsContact CB-OE1 3.22Å; F473-E477 WeakPolarHBondContact CB-OE1 3.07Å; F473-E477 WeakPolarHBondContact O-CA 3.1Å; F473-E477 VanDerWaalsContact O-CB 3.27Å; F473-E477 WeakPolarHBondContact O-CB 3.29Å; F473-E477 PolarHBondContact O-N 2.77Å; L475-E477 VanDerWaalsContact C-N 3.33Å; L475-E477 PolarHBondContact O-N 3.04Å; E477-L479 VanDerWaalsContact C-N 3.35Å; E477-L479 PolarHBondContact O-N 2.95Å; E477-K480 WeakPolarHBondContact O-CA 3.48Å; E477-K480 WeakPolarHBondContact O-CB 3.37Å; E477-K480 PolarHBondContact O-N 3.43Å; E477-Y481 HydrophobicContact CB-CD2 4.39Å; E477-Y481 HydrophobicContact CB-CE2 4.28Å; E477-Y481 VanDerWaalsContact O-CD2 3.29Å; E477-Y481 WeakPolarHBondContact O-CD2 3.43Å; E477-Y481 PolarHBondContact O-N 3.23Å; E477-Q504 VanDerWaalsContact CD-C 3.44Å; E477-Q504 VanDerWaalsContact CD-CA 3.44Å; E477-Q504 WeakPolarHBondContact CG-O 3.38Å; E477-Q504 PolarHBondContact OE1-NE2 3.19Å; E477-Q504 PolarHBondContact OE1-OE1 3.28Å; E477-Q504 VanDerWaalsContact OE2-C 3.25Å; E477-Q504 VanDerWaalsContact OE2-CA 3.29Å; E477-Q504 WeakPolarHBondContact OE2-CA 3.4Å; E477-A505 HydrophobicContact CB-CB 4.03Å; E477-A505 HydrophobicContact CG-CB 3.72Å; E477-A505 PolarHBondContact OE2-N 2.99Å
478	T	98.8	Very high	98.4	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	5%	0.054	C	C	.	.	I	π-helix	trans	-58	-48.7	-170.2	-58.6	0	0	0	0	110.9	L414 P416 I445 F473 F474 L482	L414-T478 PolarHBondContact O-OG1 3.4Å; P416-T478 VanDerWaalsContact CA-OG1 3.23Å; P416-T478 WeakPolarHBondContact CA-OG1 3.32Å; P416-T478 WeakPolarHBondContact CB-OG1 3.35Å; I445-T478 HydrophobicContact CD1-CG2 3.75Å; F473-T478 PolarHBondContact O-N 3.5Å; F473-T478 VanDerWaalsContact O-N 3.14Å; F474-T478 HydrophobicContact CD2-CG2 4.04Å; F474-T478 HydrophobicContact CE2-CG2 4.14Å; T478-L482 HydrophobicContact CG2-CD1 4.37Å; T478-L482 VanDerWaalsContact O-CG 3.27Å; T478-L482 WeakPolarHBondContact O-CG 3.38Å; T478-L482 PolarHBondContact O-N 3.12Å
479	L	98.9	Very high	98.3	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-73.5	-31.8	175.9	-64.3	-176.8	0	0	0	112.9	V58 M61 F62 M120 F474 L475 E477 Y483	V58-L479 HydrophobicContact CG1-CB 4.13Å; V58-L479 HydrophobicContact CG1-CD2 4.04Å; V58-L479 VanDerWaalsContact CG1-O 3.24Å; V58-L479 WeakPolarHBondContact CG1-O 3.33Å; M61-L479 HydrophobicContact CB-CD1 4.31Å; M61-L479 HydrophobicContact CB-CD2 4.12Å; M61-L479 HydrophobicContact CE-CD2 3.98Å; F62-L479 VanDerWaalsContact CA-CD1 3.45Å; F62-L479 HydrophobicContact CB-CD1 3.81Å; F62-L479 HydrophobicContact CD2-CB 4.4Å; F62-L479 HydrophobicContact CD2-CD1 4.26Å; M120-L479 HydrophobicContact CE-CB 4.22Å; F474-L479 HydrophobicContact CD1-CD1 4.24Å; F474-L479 HydrophobicContact CD1-CG 4.49Å; F474-L479 HydrophobicContact CE1-CD1 3.6Å; F474-L479 HydrophobicContact CE1-CD2 4.33Å; F474-L479 HydrophobicContact CE1-CG 3.96Å; F474-L479 HydrophobicContact CE2-CD2 4Å; F474-L479 HydrophobicContact CE2-CG 4.03Å; F474-L479 HydrophobicContact CZ-CD1 3.82Å; F474-L479 HydrophobicContact CZ-CD2 3.69Å; F474-L479 HydrophobicContact CZ-CG 3.75Å; F474-L479 WeakPolarHBondContact O-CG 3.02Å; F474-L479 PolarHBondContact O-N 2.87Å; L475-L479 HydrophobicContact CD2-CD1 3.97Å; E477-L479 VanDerWaalsContact C-N 3.35Å; E477-L479 PolarHBondContact O-N 2.95Å; L479-Y483 VanDerWaalsContact O-CB 3.22Å; L479-Y483 WeakPolarHBondContact O-CB 3.42Å; L479-Y483 PolarHBondContact O-N 3.43Å
480	K	98.8	Very high	98.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60.5	-51.7	175.1	-178.4	-172	-72.7	158.5	0	111.2	D115 T116 I119 S476 E477 L482 Y483 L484 F501 A505	D115-K480 IonicContact OD1-NZ 3.95Å; D115-K480 PolarHBondContact OD1-NZ 2.87Å; D115-K480 IonicContact OD2-NZ 3.28Å; T116-K480 HydrophobicContact CG2-CB 3.95Å; T116-K480 HydrophobicContact CG2-CG 4.36Å; T116-K480 WeakPolarHBondContact OG1-CE 3.33Å; T116-K480 PolarHBondContact OG1-NZ 3.45Å; I119-K480 HydrophobicContact CD1-CD 3.97Å; I119-K480 HydrophobicContact CD1-CG 4.46Å; S476-K480 WeakPolarHBondContact O-CB 3.3Å; S476-K480 WeakPolarHBondContact O-CD 3.32Å; S476-K480 WeakPolarHBondContact O-CE 3.48Å; S476-K480 PolarHBondContact O-NZ 3.22Å; E477-K480 WeakPolarHBondContact O-CA 3.48Å; E477-K480 WeakPolarHBondContact O-CB 3.37Å; E477-K480 PolarHBondContact O-N 3.43Å; K480-L482 PolarHBondContact O-N 2.88Å; K480-Y483 PolarHBondContact O-N 2.95Å; K480-L484 HydrophobicContact CG-CD1 4.05Å; K480-L484 WeakPolarHBondContact O-CB 3.31Å; K480-L484 WeakPolarHBondContact O-CG 3.33Å; K480-L484 PolarHBondContact O-N 3.21Å; K480-F501 HydrophobicContact CD-CE1 4.13Å; K480-A505 HydrophobicContact CD-CB 3.92Å; K480-A505 PolarHBondContact NZ-O 2.67Å
481	Y	98.9	Very high	98.2	Very high	1 Å²	1	17.1 Å²	17.1	0%	0.004	9%	0.088	C	C	.	.	H	α-helix	trans	-65.8	-39.1	-180	-71.7	-57.2	0	0	0	112.6	E420 Y423 E477 L485 F501 A505	E420-Y481 HydrophobicContact CB-CD1 4.33Å; E420-Y481 HydrophobicContact CB-CD2 3.69Å; E420-Y481 HydrophobicContact CB-CE1 4.19Å; E420-Y481 HydrophobicContact CB-CE2 3.51Å; E420-Y481 HydrophobicContact CB-CG 4.1Å; E420-Y481 HydrophobicContact CG-CD1 4.4Å; E420-Y481 HydrophobicContact CG-CD2 4.37Å; E420-Y481 HydrophobicContact CG-CE1 3.86Å; E420-Y481 HydrophobicContact CG-CE2 3.81Å; E420-Y481 PolarHBondContact OE1-OH 2.85Å; Y423-Y481 AromaticContact CD1-CD1 3.67Å; Y423-Y481 HydrophobicContact CD1-CD1 3.67Å; Y423-Y481 HydrophobicContact CD1-CE1 4.1Å; Y423-Y481 HydrophobicContact CE1-CD1 4.32Å; Y423-Y481 HydrophobicContact CG-CD1 4.15Å; E477-Y481 HydrophobicContact CB-CD2 4.39Å; E477-Y481 HydrophobicContact CB-CE2 4.28Å; E477-Y481 VanDerWaalsContact O-CD2 3.29Å; E477-Y481 WeakPolarHBondContact O-CD2 3.43Å; E477-Y481 PolarHBondContact O-N 3.23Å; Y481-L485 VanDerWaalsContact O-CB 3.29Å; Y481-L485 WeakPolarHBondContact O-CB 3.21Å; Y481-L485 PolarHBondContact O-N 3.45Å; Y481-F501 HydrophobicContact CE1-CD2 4.04Å; Y481-F501 HydrophobicContact CE1-CE2 4.36Å; Y481-F501 HydrophobicContact CE1-CG 4.45Å; Y481-A505 HydrophobicContact CD2-CB 4.42Å; Y481-A505 HydrophobicContact CE1-CB 4.32Å; Y481-A505 HydrophobicContact CE2-CB 3.52Å; Y481-A505 VanDerWaalsContact CZ-CB 3.47Å; Y481-A505 WeakPolarHBondContact OH-CA 3.47Å; Y481-A505 WeakPolarHBondContact OH-CB 3.26Å
482	L	98.9	Very high	98.2	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-64.5	-40.3	174	-71.1	172.6	0	0	0	111.9	V58 A419 I441 M442 I445 T478 K480 L485 F486	V58-L482 HydrophobicContact CG1-CB 3.96Å; V58-L482 HydrophobicContact CG2-CB 3.93Å; A419-L482 HydrophobicContact CB-CD2 4.31Å; A419-L482 HydrophobicContact CB-CG 4.22Å; I441-L482 HydrophobicContact CB-CD2 4.07Å; I441-L482 HydrophobicContact CG2-CD1 3.96Å; I441-L482 HydrophobicContact CG2-CD2 3.89Å; I441-L482 HydrophobicContact CG2-CG 4.4Å; M442-L482 HydrophobicContact CB-CD1 4.44Å; I445-L482 HydrophobicContact CD1-CD1 4.46Å; T478-L482 HydrophobicContact CG2-CD1 4.37Å; T478-L482 VanDerWaalsContact O-CG 3.27Å; T478-L482 WeakPolarHBondContact O-CG 3.38Å; T478-L482 PolarHBondContact O-N 3.12Å; K480-L482 PolarHBondContact O-N 2.88Å; L482-L485 PolarHBondContact O-N 3.26Å; L482-F486 WeakPolarHBondContact O-CD2 3.4Å; L482-F486 PolarHBondContact O-N 2.93Å
483	Y	98.9	Very high	98.1	Very high	27 Å²	27	16.5 Å²	16.5	11%	0.106	9%	0.085	C	C	.	.	H	α-helix	trans	-63.8	-50	176.7	177.7	-99.2	0	0	0	111	A55 H59 M120 L479 K480 L485 F486 D487	A55-Y483 HydrophobicContact CB-CD2 4.3Å; A55-Y483 HydrophobicContact CB-CE2 4.28Å; A55-Y483 WeakPolarHBondContact O-CD2 3.29Å; H59-Y483 HydrophobicContact CB-CD2 4.3Å; H59-Y483 HydrophobicContact CB-CE2 4.15Å; M120-Y483 HydrophobicContact CB-CE1 4.36Å; M120-Y483 HydrophobicContact CE-CG 4.15Å; M120-Y483 HydrophobicContact CG-CD1 3.89Å; M120-Y483 HydrophobicContact CG-CD2 4.43Å; M120-Y483 HydrophobicContact CG-CE1 4.03Å; M120-Y483 HydrophobicContact CG-CG 4.09Å; L479-Y483 VanDerWaalsContact O-CB 3.22Å; L479-Y483 WeakPolarHBondContact O-CB 3.42Å; L479-Y483 PolarHBondContact O-N 3.43Å; K480-Y483 PolarHBondContact O-N 2.95Å; Y483-L485 VanDerWaalsContact C-N 3.28Å; Y483-L485 PolarHBondContact O-N 3.46Å; Y483-F486 PolarHBondContact O-N 3.2Å; Y483-F486 VanDerWaalsContact O-N 3.09Å; Y483-D487 HydrophobicContact CD1-CB 4.48Å; Y483-D487 HydrophobicContact CE1-CB 4.14Å; Y483-D487 WeakPolarHBondContact O-CB 3.11Å; Y483-D487 PolarHBondContact O-N 3.28Å
484	L	98.8	Very high	98	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.9	-31.3	177.5	-71.8	173.7	0	0	0	113.1	I119 Y423 K480 F486 N490 V492 N493 F501	I119-L484 HydrophobicContact CG2-CD1 4.35Å; I119-L484 HydrophobicContact CG2-CD2 3.74Å; I119-L484 HydrophobicContact CG2-CG 4.12Å; Y423-L484 HydrophobicContact CD2-CB 3.96Å; Y423-L484 HydrophobicContact CE2-CB 3.54Å; K480-L484 HydrophobicContact CG-CD1 4.05Å; K480-L484 WeakPolarHBondContact O-CB 3.31Å; K480-L484 WeakPolarHBondContact O-CG 3.33Å; K480-L484 PolarHBondContact O-N 3.21Å; L484-F486 PolarHBondContact O-N 3.49Å; L484-N490 HydrophobicContact CD2-CB 3.84Å; L484-N490 VanDerWaalsContact CD2-CG 3.48Å; L484-N490 WeakPolarHBondContact CD2-OD1 3.45Å; L484-V492 HydrophobicContact CD1-CG1 4.39Å; L484-V492 HydrophobicContact CD2-CB 4.05Å; L484-V492 HydrophobicContact CD2-CG1 4.46Å; L484-V492 HydrophobicContact CD2-CG2 4.45Å; L484-N493 PolarHBondContact O-ND2 2.87Å; L484-F501 HydrophobicContact CD1-CE2 3.93Å; L484-F501 HydrophobicContact CD1-CZ 3.63Å
485	L	98.7	Very high	97.8	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.016	13%	0.125	C	C	.	.	H	α-helix	trans	-60.9	-34.5	174.7	174.7	64.2	0	0	0	112.1	T422 Y423 Y426 L435 Y481 L482 Y483	T422-L485 HydrophobicContact CG2-CD2 3.99Å; Y423-L485 HydrophobicContact CD2-CB 4.29Å; Y426-L485 VanDerWaalsContact CB-CD1 3.45Å; Y426-L485 HydrophobicContact CD1-CD1 3.64Å; Y426-L485 HydrophobicContact CG-CD1 3.61Å; L435-L485 HydrophobicContact CD2-CD1 3.91Å; L435-L485 HydrophobicContact CD2-CG 4.07Å; L435-L485 WeakPolarHBondContact CD2-O 3.18Å; Y481-L485 VanDerWaalsContact O-CB 3.29Å; Y481-L485 WeakPolarHBondContact O-CB 3.21Å; Y481-L485 PolarHBondContact O-N 3.45Å; L482-L485 PolarHBondContact O-N 3.26Å; Y483-L485 VanDerWaalsContact C-N 3.28Å; Y483-L485 PolarHBondContact O-N 3.46Å
486	F	98.6	Very high	97.4	Very high	2 Å²	2	26 Å²	26	1%	0.009	14%	0.137	C	C	.	.	H	α-helix	trans	-102	-20.6	-175.4	-60.3	-53.3	0	0	0	114.4	M46 K51 L54 A55 V58 L435 K439 L482 Y483 L484 E488	M46-F486 HydrophobicContact SD-CD1 4.39Å; M46-F486 HydrophobicContact SD-CE1 4.36Å; K51-F486 WeakPolarHBondContact CB-O 3Å; K51-F486 WeakPolarHBondContact O-CB 3.45Å; L54-F486 HydrophobicContact CB-CB 4.19Å; L54-F486 HydrophobicContact CB-CD1 3.95Å; L54-F486 HydrophobicContact CB-CD2 3.68Å; L54-F486 HydrophobicContact CB-CE1 4.24Å; L54-F486 HydrophobicContact CB-CE2 3.99Å; L54-F486 HydrophobicContact CB-CG 3.67Å; L54-F486 HydrophobicContact CB-CZ 4.25Å; L54-F486 HydrophobicContact CD1-CD1 3.86Å; L54-F486 HydrophobicContact CD1-CE1 3.57Å; L54-F486 HydrophobicContact CD1-CE2 4.46Å; L54-F486 HydrophobicContact CD1-CG 4.43Å; L54-F486 HydrophobicContact CD1-CZ 3.9Å; A55-F486 HydrophobicContact CB-CB 3.82Å; V58-F486 HydrophobicContact CG2-CD2 4.18Å; V58-F486 HydrophobicContact CG2-CE2 4.35Å; L435-F486 HydrophobicContact CB-CE1 4.37Å; L435-F486 HydrophobicContact CD2-CD1 3.96Å; L435-F486 HydrophobicContact CD2-CE1 4.13Å; L435-F486 WeakPolarHBondContact O-CE1 3.02Å; K439-F486 HydrophobicContact CB-CZ 4.45Å; L482-F486 WeakPolarHBondContact O-CD2 3.4Å; L482-F486 PolarHBondContact O-N 2.93Å; Y483-F486 PolarHBondContact O-N 3.2Å; Y483-F486 VanDerWaalsContact O-N 3.09Å; L484-F486 PolarHBondContact O-N 3.49Å; F486-E488 PolarHBondContact O-N 2.97Å
487	D	98	Very high	97.1	Very high	35 Å²	35	34.3 Å²	34.3	19%	0.187	17%	0.17	C	C	.	.			trans	-89.3	90.7	177.9	-178.1	15.8	0	0	0	112.4	A55 Y483 L489 N490 N493	A55-D487 HydrophobicContact CB-CB 4.31Å; Y483-D487 HydrophobicContact CD1-CB 4.48Å; Y483-D487 HydrophobicContact CE1-CB 4.14Å; Y483-D487 WeakPolarHBondContact O-CB 3.11Å; Y483-D487 PolarHBondContact O-N 3.28Å; D487-L489 PolarHBondContact O-N 2.85Å; D487-L489 PolarHBondContact OD1-N 3.25Å; D487-N490 HydrophobicContact CB-CB 4.28Å; D487-N490 PolarHBondContact O-N 2.93Å; D487-N490 PolarHBondContact OD1-N 3.21Å; D487-N490 WeakPolarHBondContact OD2-CA 3.2Å; D487-N490 WeakPolarHBondContact OD2-CB 3.28Å; D487-N490 PolarHBondContact OD2-ND2 2.86Å; D487-N493 PolarHBondContact O-ND2 2.97Å
488	E	94.3	Very high	96.9	Very high	69 Å²	69	36.2 Å²	36.2	32%	0.322	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-27.2	-177.4	-58.8	-172.2	112.2	0	0	114.3	S48 K51 F486	S48-E488 WeakPolarHBondContact CB-OE2 3.42Å; S48-E488 PolarHBondContact OG-OE2 2.83Å; K51-E488 HydrophobicContact CD-CG 3.86Å; K51-E488 IonicContact NZ-OE1 3.96Å; K51-E488 PolarHBondContact NZ-OE1 3.02Å; K51-E488 IonicContact NZ-OE2 3.48Å; F486-E488 PolarHBondContact O-N 2.97Å
489	L	96	Very high	96.8	Very high	145 Å²	145	37.7 Å²	37.7	76%	0.759	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.3	3.6	-171.5	-60.8	-179	0	0	0	113.3	D487	D487-L489 PolarHBondContact O-N 2.85Å; D487-L489 PolarHBondContact OD1-N 3.25Å
490	N	97.7	Very high	96.7	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.027	19%	0.189	C	C	.	.			trans	-55.5	137.8	178.4	-159.8	-87.7	0	0	0	111.2	I119 L484 D487 V492 N493 V494	I119-N490 PolarHBondContact O-ND2 2.02Å; L484-N490 HydrophobicContact CD2-CB 3.84Å; L484-N490 VanDerWaalsContact CD2-CG 3.48Å; L484-N490 WeakPolarHBondContact CD2-OD1 3.45Å; D487-N490 HydrophobicContact CB-CB 4.28Å; D487-N490 PolarHBondContact O-N 2.93Å; D487-N490 PolarHBondContact OD1-N 3.21Å; D487-N490 WeakPolarHBondContact OD2-CA 3.2Å; D487-N490 WeakPolarHBondContact OD2-CB 3.28Å; D487-N490 PolarHBondContact OD2-ND2 2.86Å; N490-V492 PolarHBondContact O-N 2.79Å; N490-V492 VanDerWaalsContact O-N 3.13Å; N490-V492 PolarHBondContact OD1-N 2.72Å; N490-V492 VanDerWaalsContact OD1-N 3.12Å; N490-N493 HydrophobicContact CB-CB 4.13Å; N490-N493 CarbonylContact O-C 3.56Å; N490-N493 WeakPolarHBondContact O-CA 3.24Å; N490-N493 WeakPolarHBondContact O-CB 3.06Å; N490-N493 PolarHBondContact O-N 2.78Å; N490-V494 WeakPolarHBondContact O-CG2 3.31Å; N490-V494 PolarHBondContact O-N 2.99Å
491	P	97.1	Very high	96.7	Very high	38 Å²	38	39.1 Å²	39.1	25%	0.247	19%	0.193	C	C	.	.	H	α-helix	trans	-53.2	-34.9	177.2	-28.4	35.5	0	0	0	114.2	S171 F172 N495	S171-P491 WeakPolarHBondContact O-CB 3.42Å; S171-P491 VanDerWaalsContact O-CG 3.29Å; S171-P491 WeakPolarHBondContact O-CG 3.36Å; F172-P491 HydrophobicContact CD1-CB 4.16Å; F172-P491 HydrophobicContact CD1-CG 4.11Å; F172-P491 HydrophobicContact CE1-CB 3.89Å; F172-P491 HydrophobicContact CE1-CG 4.24Å; F172-P491 HydrophobicContact CZ-CB 4.32Å; P491-N495 PolarHBondContact O-N 2.79Å; P491-N495 PolarHBondContact O-ND2 3.22Å
492	V	97.4	Very high	96.7	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.018	19%	0.193	C	C	.	.	H	α-helix	trans	-61.7	-45.4	173.3	177.1	0	0	0	0	110.8	I119 F172 L484 N490 N495 E496 F501 L507	I119-V492 HydrophobicContact CD1-CG2 4.3Å; I119-V492 HydrophobicContact CG1-CG2 4.1Å; F172-V492 HydrophobicContact CE1-CG2 3.79Å; F172-V492 HydrophobicContact CZ-CG2 3.62Å; L484-V492 HydrophobicContact CD1-CG1 4.39Å; L484-V492 HydrophobicContact CD2-CB 4.05Å; L484-V492 HydrophobicContact CD2-CG1 4.46Å; L484-V492 HydrophobicContact CD2-CG2 4.45Å; N490-V492 PolarHBondContact O-N 2.79Å; N490-V492 VanDerWaalsContact O-N 3.13Å; N490-V492 PolarHBondContact OD1-N 2.72Å; N490-V492 VanDerWaalsContact OD1-N 3.12Å; V492-N495 CarbonylContact O-C 3.58Å; V492-N495 PolarHBondContact O-N 2.72Å; V492-E496 WeakPolarHBondContact O-CA 3.41Å; V492-E496 PolarHBondContact O-N 3.11Å; V492-F501 HydrophobicContact CG1-CE2 3.85Å; V492-F501 HydrophobicContact CG1-CZ 3.77Å; V492-F501 HydrophobicContact CG2-CZ 4.44Å; V492-L507 HydrophobicContact CG1-CD1 4.21Å; V492-L507 HydrophobicContact CG2-CD1 3.97Å; V492-L507 HydrophobicContact CG2-CD2 4.08Å
493	N	97.1	Very high	96.6	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.016	20%	0.2	C	C	.	.	H	α-helix	trans	-73.1	-31.6	-178.1	-80.1	-24.8	0	0	0	113.4	Y423 R427 L484 D487 N490	Y423-N493 VanDerWaalsContact CE2-OD1 3.29Å; Y423-N493 WeakPolarHBondContact CE2-OD1 3.3Å; Y423-N493 PolarHBondContact OH-OD1 3.1Å; R427-N493 PolarHBondContact NH2-O 3.32Å; L484-N493 PolarHBondContact O-ND2 2.87Å; D487-N493 PolarHBondContact O-ND2 2.97Å; N490-N493 HydrophobicContact CB-CB 4.13Å; N490-N493 CarbonylContact O-C 3.56Å; N490-N493 WeakPolarHBondContact O-CA 3.24Å; N490-N493 WeakPolarHBondContact O-CB 3.06Å; N490-N493 PolarHBondContact O-N 2.78Å
494	V	96.6	Very high	96.6	Very high	91 Å²	91	39.3 Å²	39.3	55%	0.552	20%	0.197	S	C	*	.	H	α-helix	trans	-72.9	-34.7	176.4	173.9	0	0	0	0	110.6	N490	N490-V494 WeakPolarHBondContact O-CG2 3.31Å; N490-V494 PolarHBondContact O-N 2.99Å
495	N	95	Very high	96.6	Very high	61 Å²	61	39.3 Å²	39.3	33%	0.326	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116	43.9	-177.9	-50.2	-75.8	0	0	0	111.4	P491 V492 Y497 D498 Y499	P491-N495 PolarHBondContact O-N 2.79Å; P491-N495 PolarHBondContact O-ND2 3.22Å; V492-N495 CarbonylContact O-C 3.58Å; V492-N495 PolarHBondContact O-N 2.72Å; N495-Y497 PolarHBondContact O-N 3.23Å; N495-Y497 VanDerWaalsContact O-N 3.09Å; N495-D498 HydrophobicContact CB-CB 4.23Å; N495-D498 WeakPolarHBondContact O-CB 3.43Å; N495-D498 PolarHBondContact O-N 2.86Å; N495-Y499 HydrophobicContact CB-CE2 3.95Å; N495-Y499 WeakPolarHBondContact O-CD2 3.44Å
496	E	90.2	Very high	96.6	Very high	57 Å²	57	39.1 Å²	39.1	27%	0.266	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-59.1	-28.6	-169.4	68.2	-168.4	152.6	0	0	114.3	R427 K430 V492 D498	R427-E496 IonicContact CZ-OE2 3.59Å; R427-E496 IonicContact NE-OE2 2.83Å; R427-E496 PolarHBondContact NE-OE2 3.24Å; R427-E496 VanDerWaalsContact NH2-CD 3.26Å; R427-E496 IonicContact NH2-OE1 2.73Å; R427-E496 PolarHBondContact NH2-OE1 3.06Å; R427-E496 IonicContact NH2-OE2 3.5Å; R427-E496 PolarHBondContact NH2-OE2 2.97Å; K430-E496 IonicContact NZ-OE2 2.91Å; V492-E496 WeakPolarHBondContact O-CA 3.41Å; V492-E496 PolarHBondContact O-N 3.11Å; E496-D498 VanDerWaalsContact C-N 3.29Å; E496-D498 PolarHBondContact O-N 3.48Å
497	Y	90.9	Very high	96.6	Very high	175 Å²	175	39.1 Å²	39.1	69%	0.686	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-80.5	-5.7	176.9	-60.1	-69.8	0	0	0	114.3	N495 I510 L580	N495-Y497 PolarHBondContact O-N 3.23Å; N495-Y497 VanDerWaalsContact O-N 3.09Å; Y497-I510 WeakPolarHBondContact O-CD1 3.34Å; Y497-L580 HydrophobicContact CE1-CD2 4.43Å
498	D	94.9	Very high	96.6	Very high	45 Å²	45	37.5 Å²	37.5	24%	0.241	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-93.6	-8.1	-179.8	-72	-33.3	0	0	0	112.6	N495 E496 P509 I510 K511	N495-D498 HydrophobicContact CB-CB 4.23Å; N495-D498 WeakPolarHBondContact O-CB 3.43Å; N495-D498 PolarHBondContact O-N 2.86Å; E496-D498 VanDerWaalsContact C-N 3.29Å; E496-D498 PolarHBondContact O-N 3.48Å; D498-P509 CarbonylContact O-C 3.5Å; D498-P509 WeakPolarHBondContact O-CA 3.07Å; D498-I510 PolarHBondContact O-N 2.86Å; D498-K511 WeakPolarHBondContact OD1-CE 3.46Å; D498-K511 IonicContact OD1-NZ 2.7Å; D498-K511 PolarHBondContact OD1-NZ 2.86Å; D498-K511 IonicContact OD2-NZ 3.93Å
499	Y	96.5	Very high	96.8	Very high	30 Å²	30	35.1 Å²	35.1	12%	0.118	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	151.6	-173.9	-54.4	-75.1	0	0	0	113.5	S171 N495 L507 F508 P509	S171-Y499 WeakPolarHBondContact CB-OH 3.17Å; S171-Y499 PolarHBondContact OG-OH 3.36Å; N495-Y499 HydrophobicContact CB-CE2 3.95Å; N495-Y499 WeakPolarHBondContact O-CD2 3.44Å; Y499-L507 HydrophobicContact CD1-CD1 3.93Å; Y499-L507 HydrophobicContact CD1-CD2 3.76Å; Y499-L507 HydrophobicContact CD1-CG 3.72Å; Y499-L507 HydrophobicContact CD2-CD1 4.39Å; Y499-L507 HydrophobicContact CE1-CD2 3.9Å; Y499-L507 HydrophobicContact CE1-CG 4.36Å; Y499-L507 HydrophobicContact CG-CD1 3.71Å; Y499-L507 HydrophobicContact CG-CD2 4.24Å; Y499-L507 HydrophobicContact CG-CG 4.06Å; Y499-F508 CarbonylContact C-O 3.58Å; Y499-F508 WeakPolarHBondContact CA-O 3.48Å; Y499-P509 HydrophobicContact CD1-CB 3.97Å; Y499-P509 HydrophobicContact CE1-CB 3.95Å
500	V	97.7	Very high	96.9	Very high	12 Å²	12	29.2 Å²	29.2	7%	0.073	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	135.2	164.7	171.6	0	0	0	0	107.9	K302 I305 F508 I510	K302-V500 HydrophobicContact CB-CG1 3.95Å; K302-V500 HydrophobicContact CD-CG1 3.94Å; K302-V500 HydrophobicContact CG-CG1 3.96Å; I305-V500 HydrophobicContact CB-CG2 4.09Å; I305-V500 HydrophobicContact CG2-CG2 3.47Å; I305-V500 VanDerWaalsContact CG2-CG2 3.47Å; V500-F508 PolarHBondContact N-O 2.95Å; V500-F508 PolarHBondContact O-N 3.09Å; V500-I510 HydrophobicContact CG2-CD1 3.81Å; V500-I510 HydrophobicContact CG2-CG1 3.78Å
501	F	98.6	Very high	96.8	Very high	19 Å²	19	35 Å²	35	8%	0.083	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	139.5	167.7	-76.3	-60.2	0	0	0	110.5	I119 K302 Y423 K480 Y481 L484 V492 A505 H506 L507	I119-F501 HydrophobicContact CD1-CE1 4.06Å; I119-F501 HydrophobicContact CD1-CZ 4.34Å; K302-F501 WeakPolarHBondContact CD-O 3.42Å; K302-F501 WeakPolarHBondContact CE-O 3.47Å; K302-F501 PolarHBondContact NZ-O 3.24Å; Y423-F501 HydrophobicContact CE1-CE2 4.29Å; K480-F501 HydrophobicContact CD-CE1 4.13Å; Y481-F501 HydrophobicContact CE1-CD2 4.04Å; Y481-F501 HydrophobicContact CE1-CE2 4.36Å; Y481-F501 HydrophobicContact CE1-CG 4.45Å; L484-F501 HydrophobicContact CD1-CE2 3.93Å; L484-F501 HydrophobicContact CD1-CZ 3.63Å; V492-F501 HydrophobicContact CG1-CE2 3.85Å; V492-F501 HydrophobicContact CG1-CZ 3.77Å; V492-F501 HydrophobicContact CG2-CZ 4.44Å; F501-A505 VanDerWaalsContact CD1-C 3.5Å; F501-A505 WeakPolarHBondContact CD1-O 3.34Å; F501-A505 WeakPolarHBondContact CE1-O 3.23Å; F501-H506 CarbonylContact C-O 3.59Å; F501-H506 VanDerWaalsContact CA-O 3.25Å; F501-H506 WeakPolarHBondContact CA-O 3.2Å; F501-L507 HydrophobicContact CD1-CB 4.25Å; F501-L507 HydrophobicContact CD1-CD1 3.88Å; F501-L507 HydrophobicContact CE1-CB 3.93Å; F501-L507 HydrophobicContact CE1-CD1 3.34Å; F501-L507 HydrophobicContact CE1-CG 4.25Å; F501-L507 HydrophobicContact CE2-CD1 4.29Å; F501-L507 HydrophobicContact CZ-CD1 3.58Å
502	S	98.6	Very high	96.7	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.171	C	C	.	.			trans	-68	-177.7	166.2	69.4	0	0	0	0	112	E236 K302 Q504 A505 H506	E236-S502 WeakPolarHBondContact OE1-CB 3.5Å; K302-S502 PolarHBondContact NZ-O 3Å; S502-Q504 PolarHBondContact O-N 3.08Å; S502-Q504 PolarHBondContact OG-N 2.73Å; S502-A505 PolarHBondContact O-N 3.37Å; S502-A505 VanDerWaalsContact O-N 3.16Å; S502-H506 PolarHBondContact N-O 3.33Å; S502-H506 WeakPolarHBondContact OG-CB 3.42Å; S502-H506 PolarHBondContact OG-N 3.44Å; S502-H506 VanDerWaalsContact OG-N 3.1Å
503	T	97.8	Very high	96.8	Very high	24 Å²	24	35.9 Å²	35.9	15%	0.147	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-18.9	173.2	-172.8	0	0	0	0	112.2	I152 E298 Y299	I152-T503 HydrophobicContact CB-CG2 3.9Å; I152-T503 HydrophobicContact CD1-CG2 3.96Å; I152-T503 HydrophobicContact CG2-CG2 3.72Å; E298-T503 WeakPolarHBondContact OE1-CA 3.29Å; E298-T503 WeakPolarHBondContact OE1-CB 3.48Å; E298-T503 PolarHBondContact OE1-N 3.37Å; E298-T503 PolarHBondContact OE2-OG1 3.24Å; Y299-T503 HydrophobicContact CE2-CG2 3.8Å
504	Q	98	Very high	96.7	Very high	8 Å²	8	37.9 Å²	37.9	4%	0.037	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	23.1	178.2	-158.2	63.8	33.3	0	0	111.7	D112 I152 R153 E477 S502 H506	D112-Q504 WeakPolarHBondContact OD1-CG 3.45Å; I152-Q504 HydrophobicContact CB-CB 4.16Å; I152-Q504 HydrophobicContact CG1-CB 4.41Å; I152-Q504 WeakPolarHBondContact O-CB 3.38Å; R153-Q504 HydrophobicContact CB-CG 4.29Å; R153-Q504 HydrophobicContact CG-CG 3.88Å; E477-Q504 VanDerWaalsContact CD-C 3.44Å; E477-Q504 VanDerWaalsContact CD-CA 3.44Å; E477-Q504 WeakPolarHBondContact CG-O 3.38Å; E477-Q504 PolarHBondContact OE1-NE2 3.19Å; E477-Q504 PolarHBondContact OE1-OE1 3.28Å; E477-Q504 VanDerWaalsContact OE2-C 3.25Å; E477-Q504 VanDerWaalsContact OE2-CA 3.29Å; E477-Q504 WeakPolarHBondContact OE2-CA 3.4Å; S502-Q504 PolarHBondContact O-N 3.08Å; S502-Q504 PolarHBondContact OG-N 2.73Å; Q504-H506 PolarHBondContact O-N 3Å
505	A	98.4	Very high	96.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.176	C	C	.	.			trans	54.8	25.3	-177	0	0	0	0	0	115.5	E477 K480 Y481 F501 S502	E477-A505 HydrophobicContact CB-CB 4.03Å; E477-A505 HydrophobicContact CG-CB 3.72Å; E477-A505 PolarHBondContact OE2-N 2.99Å; K480-A505 HydrophobicContact CD-CB 3.92Å; K480-A505 PolarHBondContact NZ-O 2.67Å; Y481-A505 HydrophobicContact CD2-CB 4.42Å; Y481-A505 HydrophobicContact CE1-CB 4.32Å; Y481-A505 HydrophobicContact CE2-CB 3.52Å; Y481-A505 VanDerWaalsContact CZ-CB 3.47Å; Y481-A505 WeakPolarHBondContact OH-CA 3.47Å; Y481-A505 WeakPolarHBondContact OH-CB 3.26Å; F501-A505 VanDerWaalsContact CD1-C 3.5Å; F501-A505 WeakPolarHBondContact CD1-O 3.34Å; F501-A505 WeakPolarHBondContact CE1-O 3.23Å; S502-A505 PolarHBondContact O-N 3.37Å; S502-A505 VanDerWaalsContact O-N 3.16Å
506	H	98.9	Very high	96.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.174	C	C	.	.			trans	-80.9	133.1	176.2	-65.9	-50.1	0	0	0	112.3	D112 D115 I152 R153 G156 G157 F501 S502 Q504 F508	D112-H506 PolarHBondContact O-CE1 3.22Å; D112-H506 IonicContact OD1-CE1 3.44Å; D112-H506 PolarHBondContact OD1-CE1 3.3Å; D112-H506 IonicContact OD1-NE2 3.77Å; D112-H506 PolarHBondContact OD1-NE2 2.78Å; D115-H506 IonicContact OD1-ND1 3.47Å; D115-H506 WeakPolarHBondContact OD2-CA 3.44Å; D115-H506 IonicContact OD2-CG 3.3Å; D115-H506 IonicContact OD2-ND1 3.77Å; D115-H506 PolarHBondContact OD2-ND1 3.47Å; I152-H506 PolarHBondContact O-CD2 3Å; I152-H506 PolarHBondContact O-NE2 3.48Å; I152-H506 VanDerWaalsContact O-NE2 3.13Å; R153-H506 PolarHBondContact O-NE2 3.01Å; G156-H506 VanDerWaalsContact CA-CD2 3.41Å; G156-H506 WeakPolarHBondContact CA-CD2 3.24Å; G157-H506 WeakPolarHBondContact CA-CE1 3.24Å; G157-H506 PolarHBondContact N-CD2 3.18Å; G157-H506 VanDerWaalsContact N-CD2 3.33Å; G157-H506 PolarHBondContact N-CE1 3Å; G157-H506 PolarHBondContact N-NE2 3.02Å; G157-H506 VanDerWaalsContact N-NE2 3.11Å; F501-H506 CarbonylContact C-O 3.59Å; F501-H506 VanDerWaalsContact CA-O 3.25Å; F501-H506 WeakPolarHBondContact CA-O 3.2Å; S502-H506 PolarHBondContact N-O 3.33Å; S502-H506 WeakPolarHBondContact OG-CB 3.42Å; S502-H506 PolarHBondContact OG-N 3.44Å; S502-H506 VanDerWaalsContact OG-N 3.1Å; Q504-H506 PolarHBondContact O-N 3Å; H506-F508 HydrophobicContact CB-CE2 3.91Å; H506-F508 HydrophobicContact CB-CZ 4.5Å; H506-F508 VanDerWaalsContact O-CD2 3.26Å; H506-F508 WeakPolarHBondContact O-CD2 3.4Å
507	L	98.3	Very high	97	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	118.8	-170	-168	79.6	0	0	0	112.5	D115 I119 S160 F172 V492 Y499 F501	D115-L507 PolarHBondContact OD2-N 3.18Å; I119-L507 HydrophobicContact CD1-CB 4.43Å; S160-L507 PolarHBondContact OG-N 2.72Å; S160-L507 VanDerWaalsContact OG-N 3.15Å; S160-L507 PolarHBondContact OG-O 3.19Å; F172-L507 HydrophobicContact CE2-CD2 3.66Å; F172-L507 HydrophobicContact CZ-CD2 3.48Å; F172-L507 VanDerWaalsContact CZ-CD2 3.48Å; V492-L507 HydrophobicContact CG1-CD1 4.21Å; V492-L507 HydrophobicContact CG2-CD1 3.97Å; V492-L507 HydrophobicContact CG2-CD2 4.08Å; Y499-L507 HydrophobicContact CD1-CD1 3.93Å; Y499-L507 HydrophobicContact CD1-CD2 3.76Å; Y499-L507 HydrophobicContact CD1-CG 3.72Å; Y499-L507 HydrophobicContact CD2-CD1 4.39Å; Y499-L507 HydrophobicContact CE1-CD2 3.9Å; Y499-L507 HydrophobicContact CE1-CG 4.36Å; Y499-L507 HydrophobicContact CG-CD1 3.71Å; Y499-L507 HydrophobicContact CG-CD2 4.24Å; Y499-L507 HydrophobicContact CG-CG 4.06Å; F501-L507 HydrophobicContact CD1-CB 4.25Å; F501-L507 HydrophobicContact CD1-CD1 3.88Å; F501-L507 HydrophobicContact CE1-CB 3.93Å; F501-L507 HydrophobicContact CE1-CD1 3.34Å; F501-L507 HydrophobicContact CE1-CG 4.25Å; F501-L507 HydrophobicContact CE2-CD1 4.29Å; F501-L507 HydrophobicContact CZ-CD1 3.58Å
508	F	98.6	Very high	97.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121	175.2	-66.2	-84.8	0	0	0	111.8	L159 I163 E236 S239 L306 Y499 V500 H506 I510	L159-F508 HydrophobicContact CB-CE1 4.12Å; L159-F508 HydrophobicContact CB-CZ 4.45Å; I163-F508 HydrophobicContact CD1-CD1 3.87Å; I163-F508 HydrophobicContact CD1-CE1 4.17Å; E236-F508 HydrophobicContact CG-CZ 4.4Å; S239-F508 WeakPolarHBondContact OG-CD1 3.31Å; S239-F508 WeakPolarHBondContact OG-CE1 3.36Å; L306-F508 HydrophobicContact CD1-CB 3.81Å; L306-F508 HydrophobicContact CD2-CB 3.98Å; L306-F508 HydrophobicContact CD2-CG 4.24Å; Y499-F508 CarbonylContact C-O 3.58Å; Y499-F508 WeakPolarHBondContact CA-O 3.48Å; V500-F508 PolarHBondContact N-O 2.95Å; V500-F508 PolarHBondContact O-N 3.09Å; H506-F508 HydrophobicContact CB-CE2 3.91Å; H506-F508 HydrophobicContact CB-CZ 4.5Å; H506-F508 VanDerWaalsContact O-CD2 3.26Å; H506-F508 WeakPolarHBondContact O-CD2 3.4Å; F508-I510 PolarHBondContact O-N 3.09Å
509	P	97.9	Very high	97	Very high	20 Å²	20	37.2 Å²	37.2	13%	0.13	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	116	178.4	28.6	-32.3	0	0	0	112.1	I163 D498 Y499 R512 I513	I163-P509 VanDerWaalsContact CG2-CD 3.46Å; I163-P509 HydrophobicContact CG2-CG 3.43Å; I163-P509 VanDerWaalsContact CG2-CG 3.43Å; D498-P509 CarbonylContact O-C 3.5Å; D498-P509 WeakPolarHBondContact O-CA 3.07Å; Y499-P509 HydrophobicContact CD1-CB 3.97Å; Y499-P509 HydrophobicContact CE1-CB 3.95Å; P509-R512 HydrophobicContact CB-CB 4.13Å; P509-R512 HydrophobicContact CG-CB 3.93Å; P509-R512 PolarHBondContact O-N 2.99Å; P509-I513 WeakPolarHBondContact O-CG1 3.42Å; P509-I513 PolarHBondContact O-N 3.05Å
510	I	97.7	Very high	96.8	Very high	20 Å²	20	36.4 Å²	36.4	10%	0.103	18%	0.177	C	C	.	.	H	α-helix	trans	-58.2	-58	-172.2	-61.6	163	0	0	0	111.4	I305 L306 Y497 D498 V500 F508 R512 I513 Q514	I305-I510 HydrophobicContact CG2-CD1 3.77Å; I305-I510 HydrophobicContact CG2-CG1 4.31Å; L306-I510 HydrophobicContact CD1-CG1 4.45Å; Y497-I510 WeakPolarHBondContact O-CD1 3.34Å; D498-I510 PolarHBondContact O-N 2.86Å; V500-I510 HydrophobicContact CG2-CD1 3.81Å; V500-I510 HydrophobicContact CG2-CG1 3.78Å; F508-I510 PolarHBondContact O-N 3.09Å; I510-R512 VanDerWaalsContact C-N 3.29Å; I510-R512 PolarHBondContact O-N 3.13Å; I510-I513 PolarHBondContact O-N 2.84Å; I510-Q514 HydrophobicContact CG2-CG 4.25Å; I510-Q514 VanDerWaalsContact CG2-NE2 3.33Å; I510-Q514 WeakPolarHBondContact O-CB 3.39Å; I510-Q514 WeakPolarHBondContact O-CG 3.07Å; I510-Q514 PolarHBondContact O-N 2.84Å
511	K	95.9	Very high	96.2	Very high	128 Å²	128	44.4 Å²	44.4	56%	0.557	21%	0.213	S	C	*	.	H	α-helix	trans	-59.3	-40.3	-175.5	-72.2	174	-178.6	146.6	0	112.2	D498 N515	D498-K511 WeakPolarHBondContact OD1-CE 3.46Å; D498-K511 IonicContact OD1-NZ 2.7Å; D498-K511 PolarHBondContact OD1-NZ 2.86Å; D498-K511 IonicContact OD2-NZ 3.93Å; K511-N515 VanDerWaalsContact O-CB 3.31Å; K511-N515 WeakPolarHBondContact O-CB 3.31Å; K511-N515 PolarHBondContact O-N 3.41Å; K511-N515 PolarHBondContact O-ND2 2.9Å
512	R	96.5	Very high	95.8	Very high	58 Å²	58	48.8 Å²	48.8	22%	0.219	24%	0.235	C	C	.	.	H	α-helix	trans	-66.5	-49.6	179.8	179.3	178.1	175.3	-176.8	-3.7	110.8	I163 T166 P509 I510 N515 L516	I163-R512 PolarHBondContact O-NH1 3.23Å; T166-R512 PolarHBondContact O-NH1 3.1Å; T166-R512 PolarHBondContact OG1-NH1 2.95Å; T166-R512 PolarHBondContact OG1-NH2 3.38Å; P509-R512 HydrophobicContact CB-CB 4.13Å; P509-R512 HydrophobicContact CG-CB 3.93Å; P509-R512 PolarHBondContact O-N 2.99Å; I510-R512 VanDerWaalsContact C-N 3.29Å; I510-R512 PolarHBondContact O-N 3.13Å; R512-N515 PolarHBondContact O-N 3.31Å; R512-L516 HydrophobicContact CG-CD1 4.23Å; R512-L516 WeakPolarHBondContact O-CG 3.23Å; R512-L516 PolarHBondContact O-N 3.2Å
513	I	97.8	Very high	95.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.1	-46.1	178.8	-66.2	-60.3	0	0	0	110.7	I163 A242 L306 F307 P509 I510 N515 L516 M517	I163-I513 HydrophobicContact CD1-CD1 4.24Å; A242-I513 HydrophobicContact CB-CD1 4.28Å; A242-I513 HydrophobicContact CB-CG2 4.42Å; L306-I513 HydrophobicContact CD1-CB 3.96Å; L306-I513 HydrophobicContact CD1-CG1 4.06Å; L306-I513 HydrophobicContact CD1-CG2 4.08Å; L306-I513 HydrophobicContact CG-CB 4.48Å; L306-I513 HydrophobicContact CG-CG2 4.05Å; F307-I513 HydrophobicContact CD1-CG2 3.69Å; F307-I513 HydrophobicContact CE1-CG2 3.51Å; P509-I513 WeakPolarHBondContact O-CG1 3.42Å; P509-I513 PolarHBondContact O-N 3.05Å; I510-I513 PolarHBondContact O-N 2.84Å; I513-N515 VanDerWaalsContact C-N 3.32Å; I513-N515 PolarHBondContact O-N 3.33Å; I513-L516 PolarHBondContact O-N 2.74Å; I513-M517 HydrophobicContact CG2-CG 4.14Å; I513-M517 WeakPolarHBondContact O-CB 3.14Å; I513-M517 WeakPolarHBondContact O-CG 3.27Å; I513-M517 PolarHBondContact O-N 3.14Å
514	Q	96.3	Very high	95.3	Very high	46 Å²	46	49.8 Å²	49.8	22%	0.215	24%	0.241	C	C	.	.	H	α-helix	trans	-59.9	-40	176.5	-70	-178.2	-0.5	0	0	112.9	I305 L306 I510 M517 K518	I305-Q514 PolarHBondContact O-NE2 2.91Å; I305-Q514 VanDerWaalsContact O-NE2 3.16Å; L306-Q514 VanDerWaalsContact O-CG 3.23Å; L306-Q514 WeakPolarHBondContact O-CG 3.39Å; I510-Q514 HydrophobicContact CG2-CG 4.25Å; I510-Q514 VanDerWaalsContact CG2-NE2 3.33Å; I510-Q514 WeakPolarHBondContact O-CB 3.39Å; I510-Q514 WeakPolarHBondContact O-CG 3.07Å; I510-Q514 PolarHBondContact O-N 2.84Å; Q514-M517 PolarHBondContact O-N 3.49Å; Q514-K518 WeakPolarHBondContact O-CB 3.14Å; Q514-K518 VanDerWaalsContact O-CG 3.25Å; Q514-K518 WeakPolarHBondContact O-CG 3.1Å; Q514-K518 PolarHBondContact O-N 3.22Å
515	N	95.9	Very high	95	Very high	91 Å²	91	49.6 Å²	49.6	49%	0.487	24%	0.24	S	C	.	.	H	α-helix	trans	-66.3	-42.1	177.7	-74.9	-17.4	0	0	0	112.3	K511 R512 I513 K518 N519	K511-N515 VanDerWaalsContact O-CB 3.31Å; K511-N515 WeakPolarHBondContact O-CB 3.31Å; K511-N515 PolarHBondContact O-N 3.41Å; K511-N515 PolarHBondContact O-ND2 2.9Å; R512-N515 PolarHBondContact O-N 3.31Å; I513-N515 VanDerWaalsContact C-N 3.32Å; I513-N515 PolarHBondContact O-N 3.33Å; N515-K518 PolarHBondContact O-N 3.33Å; N515-N519 PolarHBondContact O-N 2.92Å; N515-N519 PolarHBondContact O-ND2 3.3Å
516	L	96.9	Very high	94.3	Very high	54 Å²	54	53 Å²	53	28%	0.283	26%	0.261	S	S	.	.	H	α-helix	trans	-63.1	-46.3	174.4	-70.8	172.3	0	0	0	111	A242 L243 R512 I513 K518 N519 L520	A242-L516 HydrophobicContact CB-CB 3.83Å; A242-L516 HydrophobicContact CB-CD1 4.33Å; L243-L516 HydrophobicContact CD2-CD1 3.95Å; R512-L516 HydrophobicContact CG-CD1 4.23Å; R512-L516 WeakPolarHBondContact O-CG 3.23Å; R512-L516 PolarHBondContact O-N 3.2Å; I513-L516 PolarHBondContact O-N 2.74Å; L516-K518 VanDerWaalsContact C-N 3.33Å; L516-K518 PolarHBondContact O-N 3.17Å; L516-N519 PolarHBondContact O-N 3.16Å; L516-N519 VanDerWaalsContact O-N 3.08Å; L516-L520 PolarHBondContact O-N 3.42Å
517	M	95.3	Very high	92.5	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-62	-36.8	178.7	-70.6	-63.3	-60.1	0	0	112.8	A242 A250 F307 I513 Q514 N519 L520 N523 F525	A242-M517 HydrophobicContact CB-CG 3.9Å; A242-M517 HydrophobicContact CB-SD 3.63Å; A250-M517 HydrophobicContact CB-CE 4.5Å; F307-M517 HydrophobicContact CD1-CG 4.06Å; I513-M517 HydrophobicContact CG2-CG 4.14Å; I513-M517 WeakPolarHBondContact O-CB 3.14Å; I513-M517 WeakPolarHBondContact O-CG 3.27Å; I513-M517 PolarHBondContact O-N 3.14Å; Q514-M517 PolarHBondContact O-N 3.49Å; M517-N519 PolarHBondContact O-N 3.35Å; M517-L520 HydrophobicContact CE-CD1 3.59Å; M517-L520 WeakPolarHBondContact O-CB 3.44Å; M517-L520 PolarHBondContact O-N 3.22Å; M517-L520 HydrophobicContact SD-CD1 3.38Å; M517-L520 WeakPolarHBondContact SD-CD1 3.38Å; M517-N523 VanDerWaalsContact C-ND2 3.34Å; M517-N523 WeakPolarHBondContact CE-OD1 3.46Å; M517-N523 WeakPolarHBondContact O-CB 3.43Å; M517-N523 PolarHBondContact O-ND2 3.46Å; M517-F525 HydrophobicContact CE-CB 4.5Å; M517-F525 HydrophobicContact CE-CD2 3.28Å; M517-F525 HydrophobicContact CE-CE2 3.8Å; M517-F525 HydrophobicContact CE-CG 4.23Å; M517-F525 HydrophobicContact SD-CD2 4.47Å
518	K	93.3	Very high	90.3	Very high	140 Å²	140	62.8 Å²	62.8	61%	0.609	31%	0.308	S	S	*	.	H	α-helix	trans	-63.2	-27.9	175.1	-77.7	168.5	-173.8	169.3	0	113.3	Q514 N515 L516	Q514-K518 WeakPolarHBondContact O-CB 3.14Å; Q514-K518 VanDerWaalsContact O-CG 3.25Å; Q514-K518 WeakPolarHBondContact O-CG 3.1Å; Q514-K518 PolarHBondContact O-N 3.22Å; N515-K518 PolarHBondContact O-N 3.33Å; L516-K518 VanDerWaalsContact C-N 3.33Å; L516-K518 PolarHBondContact O-N 3.17Å
519	N	92	Very high	87.7	Confident	129 Å²	129	69.9 Å²	69.9	69%	0.69	35%	0.346	S	S	*	.	H	α-helix	trans	-89.5	-7	-179.4	-65.9	-28.9	0	0	0	113.2	N515 L516 M517	N515-N519 PolarHBondContact O-N 2.92Å; N515-N519 PolarHBondContact O-ND2 3.3Å; L516-N519 PolarHBondContact O-N 3.16Å; L516-N519 VanDerWaalsContact O-N 3.08Å; M517-N519 PolarHBondContact O-N 3.35Å
520	L	92.6	Very high	85	Confident	12 Å²	12	73.9 Å²	73.9	6%	0.063	37%	0.366	C	S	.	.	S	Bend	trans	-64.9	134.7	173.4	-71.5	174.2	0	0	0	110.4	N245 L516 M517 M522 N523	N245-L520 VanDerWaalsContact C-CD2 3.46Å; N245-L520 VanDerWaalsContact CA-CD2 3.49Å; N245-L520 HydrophobicContact CB-CD2 4.44Å; N245-L520 WeakPolarHBondContact OD1-CD2 3.4Å; L516-L520 PolarHBondContact O-N 3.42Å; M517-L520 HydrophobicContact CE-CD1 3.59Å; M517-L520 WeakPolarHBondContact O-CB 3.44Å; M517-L520 PolarHBondContact O-N 3.22Å; M517-L520 HydrophobicContact SD-CD1 3.38Å; M517-L520 WeakPolarHBondContact SD-CD1 3.38Å; L520-M522 PolarHBondContact O-N 3.18Å; L520-N523 HydrophobicContact CB-CB 4.49Å
521	H	85.7	Confident	82.2	Confident	181 Å²	181	76.6 Å²	76.6	84%	0.838	39%	0.387	S	S	*	.	S	Bend	trans	-55	-37.5	175.6	176.6	-99.6	0	0	0	112.6
522	M	88.9	Confident	79.7	Confident	111 Å²	111	77.9 Å²	77.9	55%	0.547	40%	0.395	S	S	.	.	S	Bend	trans	-129.1	112.2	171.2	-73.6	-65.2	-63.5	0	0	108.7	S247 L520 P524	S247-M522 WeakPolarHBondContact CB-O 3.41Å; L520-M522 PolarHBondContact O-N 3.18Å; M522-P524 WeakPolarHBondContact O-CD 3.35Å
523	N	92.5	Very high	77.1	Confident	21 Å²	21	76.2 Å²	76.2	11%	0.112	40%	0.396	C	S	.	.			trans	-101.9	106.5	175.6	-178.4	-12.3	0	0	0	110.1	M517 L520 F525 T526	M517-N523 VanDerWaalsContact C-ND2 3.34Å; M517-N523 WeakPolarHBondContact CE-OD1 3.46Å; M517-N523 WeakPolarHBondContact O-CB 3.43Å; M517-N523 PolarHBondContact O-ND2 3.46Å; L520-N523 HydrophobicContact CB-CB 4.49Å; N523-F525 PolarHBondContact O-N 3.39Å; N523-F525 WeakPolarHBondContact OD1-CA 3.44Å; N523-F525 WeakPolarHBondContact OD1-CB 3.4Å; N523-F525 PolarHBondContact OD1-N 2.77Å; N523-T526 HydrophobicContact CB-CG2 3.9Å; N523-T526 WeakPolarHBondContact ND2-CG2 3.2Å; N523-T526 PolarHBondContact O-N 3.38Å; N523-T526 PolarHBondContact O-OG1 3.26Å; N523-T526 PolarHBondContact OD1-N 3.05Å
524	P	93.1	Very high	74.2	Confident	24 Å²	24	82.4 Å²	82.4	16%	0.156	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-12.8	-178.3	30.4	-35.7	0	0	0	113.3	A250 R254 M522	A250-P524 HydrophobicContact CB-CG 3.47Å; A250-P524 VanDerWaalsContact CB-CG 3.47Å; R254-P524 WeakPolarHBondContact CD-O 3.38Å; R254-P524 PolarHBondContact NE-O 3.32Å; R254-P524 VanDerWaalsContact NE-O 3.16Å; M522-P524 WeakPolarHBondContact O-CD 3.35Å
525	F	92.7	Very high	71.7	Confident	3 Å²	3	83.9 Å²	83.9	1%	0.013	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	3.1	177.6	-55.8	-45.7	0	0	0	113.4	L234 A250 R254 F307 D309 L312 M517 N523	L234-F525 HydrophobicContact CD1-CE1 3.7Å; L234-F525 HydrophobicContact CD1-CZ 3.83Å; A250-F525 HydrophobicContact CB-CE2 3.76Å; A250-F525 HydrophobicContact CB-CZ 3.89Å; R254-F525 HydrophobicContact CB-CE1 4.09Å; F307-F525 HydrophobicContact CB-CB 3.79Å; F307-F525 HydrophobicContact CB-CD2 3.6Å; F307-F525 HydrophobicContact CB-CE2 4.41Å; F307-F525 HydrophobicContact CB-CG 3.82Å; F307-F525 AromaticContact CD1-CD2 3.62Å; F307-F525 HydrophobicContact CD1-CD2 3.62Å; F307-F525 AromaticContact CD1-CE2 3.81Å; F307-F525 HydrophobicContact CD1-CE2 3.81Å; F307-F525 AromaticContact CD2-CD2 3.68Å; F307-F525 HydrophobicContact CD2-CD2 3.68Å; F307-F525 HydrophobicContact CD2-CE1 4.5Å; F307-F525 AromaticContact CD2-CE2 3.62Å; F307-F525 HydrophobicContact CD2-CE2 3.62Å; F307-F525 HydrophobicContact CD2-CG 4.21Å; F307-F525 HydrophobicContact CD2-CZ 4.06Å; F307-F525 HydrophobicContact CE1-CD2 4.19Å; F307-F525 AromaticContact CE1-CE2 3.9Å; F307-F525 HydrophobicContact CE1-CE2 3.9Å; F307-F525 HydrophobicContact CE2-CD2 4.25Å; F307-F525 AromaticContact CE2-CE2 3.72Å; F307-F525 HydrophobicContact CE2-CE2 3.72Å; F307-F525 HydrophobicContact CE2-CZ 4.05Å; F307-F525 HydrophobicContact CG-CB 4.48Å; F307-F525 AromaticContact CG-CD2 3.34Å; F307-F525 HydrophobicContact CG-CD2 3.34Å; F307-F525 AromaticContact CG-CE2 3.68Å; F307-F525 HydrophobicContact CG-CE2 3.68Å; F307-F525 AromaticContact CG-CG 3.99Å; F307-F525 HydrophobicContact CG-CG 3.99Å; F307-F525 HydrophobicContact CZ-CD2 4.49Å; F307-F525 AromaticContact CZ-CE2 3.88Å; F307-F525 HydrophobicContact CZ-CE2 3.88Å; F307-F525 HydrophobicContact CZ-CZ 4.5Å; D309-F525 HydrophobicContact CB-CB 4.16Å; D309-F525 VanDerWaalsContact OD2-CA 3.26Å; D309-F525 WeakPolarHBondContact OD2-CA 3.45Å; D309-F525 WeakPolarHBondContact OD2-CD1 3.49Å; L312-F525 HydrophobicContact CD1-CD1 4.29Å; L312-F525 HydrophobicContact CD1-CE1 4.44Å; M517-F525 HydrophobicContact CE-CB 4.5Å; M517-F525 HydrophobicContact CE-CD2 3.28Å; M517-F525 HydrophobicContact CE-CE2 3.8Å; M517-F525 HydrophobicContact CE-CG 4.23Å; M517-F525 HydrophobicContact SD-CD2 4.47Å; N523-F525 PolarHBondContact O-N 3.39Å; N523-F525 WeakPolarHBondContact OD1-CA 3.44Å; N523-F525 WeakPolarHBondContact OD1-CB 3.4Å; N523-F525 PolarHBondContact OD1-N 2.77Å
526	T	84.3	Confident	69.4	Low	73 Å²	73	83 Å²	83	45%	0.448	42%	0.421	S	S	.	.	S	Bend	trans	-92.8	140.6	172.2	51.7	0	0	0	0	111.9	N523 L528	N523-T526 HydrophobicContact CB-CG2 3.9Å; N523-T526 WeakPolarHBondContact ND2-CG2 3.2Å; N523-T526 PolarHBondContact O-N 3.38Å; N523-T526 PolarHBondContact O-OG1 3.26Å; N523-T526 PolarHBondContact OD1-N 3.05Å; T526-L528 PolarHBondContact O-N 2.9Å; T526-L528 VanDerWaalsContact O-N 3.09Å
527	F	61.4	Low	67	Low	93 Å²	93	81 Å²	81	41%	0.408	41%	0.411	S	S	.	.			trans	-71.2	101.9	170.2	-165.2	-96.8	0	0	0	109.2	N529	F527-N529 WeakPolarHBondContact CE1-OD1 3.27Å; F527-N529 PolarHBondContact O-N 3.29Å
528	L	52	Low	64.6	Low	113 Å²	113	86.9 Å²	86.9	59%	0.592	44%	0.437	S	S	*	.			trans	-64	124.9	156	-72.2	168.1	0	0	0	105.9	T526 N530	T526-L528 PolarHBondContact O-N 2.9Å; T526-L528 VanDerWaalsContact O-N 3.09Å; L528-N530 HydrophobicContact CB-CB 4.38Å; L528-N530 PolarHBondContact O-N 3.46Å
529	N	42.8	Very low	62.3	Low	150 Å²	150	86.9 Å²	86.9	80%	0.802	44%	0.443	S	S	*	.	S	Bend	trans	-59.1	16.8	170.5	-100.7	-12	0	0	0	114.2	F527 S531	F527-N529 WeakPolarHBondContact CE1-OD1 3.27Å; F527-N529 PolarHBondContact O-N 3.29Å; N529-S531 PolarHBondContact O-N 2.73Å
530	N	41	Very low	60.3	Low	103 Å²	103	82 Å²	82	55%	0.551	42%	0.419	S	S	*	.			trans	-73	109.5	164.5	-68.8	-15.7	0	0	0	107.2	L528 Q532 G533	L528-N530 HydrophobicContact CB-CB 4.38Å; L528-N530 PolarHBondContact O-N 3.46Å; N530-Q532 PolarHBondContact O-N 3.49Å; N530-G533 PolarHBondContact O-N 2.87Å
531	S	39.9	Very low	58.2	Low	77 Å²	77	85.2 Å²	85.2	54%	0.538	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.4	-14.8	176.1	46.6	0	0	0	0	116.4	N529 G533 Y534 D535	N529-S531 PolarHBondContact O-N 2.73Å; S531-G533 PolarHBondContact O-N 3.4Å; S531-Y534 PolarHBondContact O-N 2.83Å; S531-D535 VanDerWaalsContact O-CB 3.25Å; S531-D535 WeakPolarHBondContact O-CB 3.29Å; S531-D535 PolarHBondContact O-N 3.23Å
532	Q	42.3	Very low	56.6	Low	156 Å²	156	78.2 Å²	78.2	73%	0.729	41%	0.414	S	S	*	.	H	α-helix	trans	-61.7	-35.6	-179.6	-65.7	-173.7	-7.4	0	0	114.7	N530 F536	N530-Q532 PolarHBondContact O-N 3.49Å; Q532-F536 WeakPolarHBondContact O-CB 3.27Å; Q532-F536 PolarHBondContact O-N 2.8Å
533	G	41.6	Very low	54.9	Low	22 Å²	22	76.7 Å²	76.7	23%	0.227	41%	0.413	C	S	.	.	H	α-helix	trans	-71.3	-44.3	179	0	0	0	0	0	112.5	N530 S531 F536 V537	N530-G533 PolarHBondContact O-N 2.87Å; S531-G533 PolarHBondContact O-N 3.4Å; G533-F536 WeakPolarHBondContact O-CB 3.35Å; G533-F536 PolarHBondContact O-N 3.18Å; G533-V537 PolarHBondContact O-N 2.84Å
534	Y	38	Very low	52.9	Low	131 Å²	131	78.4 Å²	78.4	51%	0.514	42%	0.422	S	S	.	.	H	α-helix	trans	-71.1	-37.2	177.4	-155.8	-104.7	0	0	0	112.3	S531 F536 V537 K538	S531-Y534 PolarHBondContact O-N 2.83Å; Y534-F536 VanDerWaalsContact C-N 3.26Å; Y534-F536 PolarHBondContact O-N 3.38Å; Y534-V537 PolarHBondContact O-N 3.22Å; Y534-K538 HydrophobicContact CD1-CD 3.99Å; Y534-K538 HydrophobicContact CD1-CG 4.41Å; Y534-K538 HydrophobicContact CE1-CD 3.76Å; Y534-K538 HydrophobicContact CE1-CG 4.26Å; Y534-K538 WeakPolarHBondContact O-CB 3.18Å; Y534-K538 PolarHBondContact O-N 2.79Å
535	D	43.8	Very low	51.1	Low	76 Å²	76	81.9 Å²	81.9	41%	0.406	44%	0.438	S	S	.	.	H	α-helix	trans	-64.2	-31.6	172.3	-75.6	-23.4	0	0	0	111.5	S531 N539	S531-D535 VanDerWaalsContact O-CB 3.25Å; S531-D535 WeakPolarHBondContact O-CB 3.29Å; S531-D535 PolarHBondContact O-N 3.23Å; D535-N539 WeakPolarHBondContact O-CA 3.22Å; D535-N539 WeakPolarHBondContact O-CB 3.03Å; D535-N539 PolarHBondContact O-N 3.38Å; D535-N539 PolarHBondContact O-ND2 3.29Å; D535-N539 VanDerWaalsContact O-ND2 3.07Å
536	F	47.2	Very low	49.5	Very low	72 Å²	72	89.9 Å²	89.9	32%	0.316	47%	0.473	S	S	.	.	H	α-helix	trans	-68.5	-45.9	176.8	-179	-104.8	0	0	0	112.2	K262 Q532 G533 Y534 S540	K262-F536 HydrophobicContact CD-CZ 4.35Å; K262-F536 HydrophobicContact CG-CE2 4.47Å; K262-F536 HydrophobicContact CG-CZ 3.77Å; Q532-F536 WeakPolarHBondContact O-CB 3.27Å; Q532-F536 PolarHBondContact O-N 2.8Å; G533-F536 WeakPolarHBondContact O-CB 3.35Å; G533-F536 PolarHBondContact O-N 3.18Å; Y534-F536 VanDerWaalsContact C-N 3.26Å; Y534-F536 PolarHBondContact O-N 3.38Å; F536-S540 WeakPolarHBondContact O-CB 3.21Å; F536-S540 PolarHBondContact O-N 3.3Å; F536-S540 PolarHBondContact O-OG 2.82Å
537	V	46.5	Very low	48.5	Very low	12 Å²	12	88.2 Å²	88.2	7%	0.073	46%	0.461	C	S	.	.	H	α-helix	trans	-66.5	-46.2	176.4	-179	0	0	0	0	110.8	E311 Q314 E318 G533 Y534 N539 S540 S541	E311-V537 HydrophobicContact CG-CG2 3.93Å; Q314-V537 HydrophobicContact CG-CG1 3.72Å; E318-V537 WeakPolarHBondContact OE1-CG1 3.38Å; G533-V537 PolarHBondContact O-N 2.84Å; Y534-V537 PolarHBondContact O-N 3.22Å; V537-N539 PolarHBondContact O-N 2.9Å; V537-S540 CarbonylContact O-C 3.51Å; V537-S540 PolarHBondContact O-N 2.79Å; V537-S540 PolarHBondContact O-OG 3Å; V537-S541 PolarHBondContact O-N 3.01Å
538	K	44.3	Very low	48	Very low	126 Å²	126	89.7 Å²	89.7	55%	0.548	48%	0.478	S	S	.	.	H	α-helix	trans	-63	-43.2	176.3	-88.9	-172.8	169.6	178.7	0	113.7	Y534 S540 S541	Y534-K538 HydrophobicContact CD1-CD 3.99Å; Y534-K538 HydrophobicContact CD1-CG 4.41Å; Y534-K538 HydrophobicContact CE1-CD 3.76Å; Y534-K538 HydrophobicContact CE1-CG 4.26Å; Y534-K538 WeakPolarHBondContact O-CB 3.18Å; Y534-K538 PolarHBondContact O-N 2.79Å; K538-S540 PolarHBondContact O-N 3.24Å; K538-S541 PolarHBondContact O-N 2.65Å; K538-S541 PolarHBondContact O-OG 3.29Å
539	N	46.9	Very low	47.8	Very low	139 Å²	139	87.6 Å²	87.6	74%	0.743	47%	0.472	S	S	*	.	H	α-helix	trans	-76.2	-10.4	179.6	-67.7	-30.5	0	0	0	112.7	D535 V537	D535-N539 WeakPolarHBondContact O-CA 3.22Å; D535-N539 WeakPolarHBondContact O-CB 3.03Å; D535-N539 PolarHBondContact O-N 3.38Å; D535-N539 PolarHBondContact O-ND2 3.29Å; D535-N539 VanDerWaalsContact O-ND2 3.07Å; V537-N539 PolarHBondContact O-N 2.9Å
540	S	48.6	Very low	47.8	Very low	26 Å²	26	82.2 Å²	82.2	18%	0.182	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	12.4	175	67.1	0	0	0	0	113.9	R264 F536 V537 K538 C542	R264-S540 PolarHBondContact NH2-O 2.88Å; R264-S540 PolarHBondContact NH2-OG 3.25Å; F536-S540 WeakPolarHBondContact O-CB 3.21Å; F536-S540 PolarHBondContact O-N 3.3Å; F536-S540 PolarHBondContact O-OG 2.82Å; V537-S540 CarbonylContact O-C 3.51Å; V537-S540 PolarHBondContact O-N 2.79Å; V537-S540 PolarHBondContact O-OG 3Å; K538-S540 PolarHBondContact O-N 3.24Å; S540-C542 PolarHBondContact O-N 3.17Å; S540-C542 PolarHBondContact O-SG 2.85Å
541	S	49.9	Very low	47.8	Very low	81 Å²	81	85.9 Å²	85.9	57%	0.566	46%	0.46	S	S	*	.			trans	-64.2	98.5	172.4	62.2	0	0	0	0	109.3	V537 K538	V537-S541 PolarHBondContact O-N 3.01Å; K538-S541 PolarHBondContact O-N 2.65Å; K538-S541 PolarHBondContact O-OG 3.29Å
542	C	51.7	Low	48	Very low	33 Å²	33	88.8 Å²	88.8	22%	0.223	46%	0.46	C	S	.	.			trans	-69.2	135.5	173.9	-61.9	0	0	0	0	107.7	S540 N544	S540-C542 PolarHBondContact O-N 3.17Å; S540-C542 PolarHBondContact O-SG 2.85Å; C542-N544 PolarHBondContact O-N 3.12Å
543	P	52.8	Low	47.8	Very low	80 Å²	80	86.9 Å²	86.9	52%	0.519	46%	0.462	S	S	.	.			trans	-63.1	115.2	172.8	26.7	-31.5	0	0	0	107.7	I545	P543-I545 HydrophobicContact CB-CD1 4.42Å; P543-I545 HydrophobicContact CB-CG1 3.97Å; P543-I545 HydrophobicContact CG-CD1 4.28Å; P543-I545 HydrophobicContact CG-CG1 4.29Å; P543-I545 PolarHBondContact O-N 2.94Å
544	N	51.4	Low	47.8	Very low	56 Å²	56	87.2 Å²	87.2	30%	0.299	46%	0.458	S	S	.	.			trans	-70.3	66.5	171	-83.6	-16.3	0	0	0	109.2	S268 S321 S322 C542 K546	S268-N544 PolarHBondContact O-OD1 3.03Å; S321-N544 PolarHBondContact OG-ND2 2.9Å; S322-N544 PolarHBondContact OG-ND2 2.87Å; S322-N544 PolarHBondContact OG-OD1 3.34Å; C542-N544 PolarHBondContact O-N 3.12Å; N544-K546 PolarHBondContact O-N 3.25Å; N544-K546 VanDerWaalsContact O-N 3.09Å
545	I	55.2	Low	48	Very low	97 Å²	97	85 Å²	85	50%	0.497	45%	0.454	S	S	.	.			trans	-65	113.4	176.1	-60.8	175.9	0	0	0	105.9	H326 P543 L547	H326-I545 PolarHBondContact CE1-O 3.29Å; P543-I545 HydrophobicContact CB-CD1 4.42Å; P543-I545 HydrophobicContact CB-CG1 3.97Å; P543-I545 HydrophobicContact CG-CD1 4.28Å; P543-I545 HydrophobicContact CG-CG1 4.29Å; P543-I545 PolarHBondContact O-N 2.94Å; I545-L547 PolarHBondContact O-N 3.48Å
546	K	58.6	Low	48	Very low	171 Å²	171	85.3 Å²	85.3	74%	0.743	46%	0.457	S	S	*	.			trans	-61.9	101.2	176.6	-168.2	169.4	-173.8	169.6	0	109.5	N544	N544-K546 PolarHBondContact O-N 3.25Å; N544-K546 VanDerWaalsContact O-N 3.09Å
547	L	62.8	Low	48	Very low	39 Å²	39	84.2 Å²	84.2	20%	0.204	45%	0.454	C	S	.	.			trans	-69.6	149.9	178.9	-61.5	173	0	0	0	109.8	V267 Y350 S351 I545 S549	V267-L547 HydrophobicContact CG1-CD1 4.47Å; V267-L547 HydrophobicContact CG1-CD2 4.15Å; Y350-L547 VanDerWaalsContact O-CD1 3.26Å; Y350-L547 WeakPolarHBondContact O-CD1 3.48Å; S351-L547 WeakPolarHBondContact O-CD1 3.36Å; I545-L547 PolarHBondContact O-N 3.48Å; L547-S549 PolarHBondContact O-N 2.64Å
548	T	51.2	Low	48	Very low	124 Å²	124	84.1 Å²	84.1	76%	0.761	45%	0.453	S	S	*	.			trans	-63.9	110.4	-178.2	46.4	0	0	0	0	110.5
549	S	47.1	Very low	48	Very low	68 Å²	68	78.9 Å²	78.9	48%	0.476	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-77.8	131.5	174.6	62.8	0	0	0	0	110.8	L547 Q551	L547-S549 PolarHBondContact O-N 2.64Å; S549-Q551 PolarHBondContact O-N 2.73Å
550	S	43.3	Very low	48	Very low	37 Å²	37	78 Å²	78	26%	0.259	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-63.7	118.2	166.1	53.5	0	0	0	0	110.2	K354 Y552	K354-S550 PolarHBondContact NZ-O 2.76Å; K354-S550 PolarHBondContact NZ-OG 3.22Å; S550-Y552 WeakPolarHBondContact OG-CE2 3.4Å
551	Q	41.9	Very low	47.9	Very low	181 Å²	181	77.1 Å²	77.1	85%	0.846	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-82.5	120.8	171	-70.2	-175.5	-10.1	0	0	108.4	S549	S549-Q551 PolarHBondContact O-N 2.73Å
552	Y	44.1	Very low	47.7	Very low	137 Å²	137	73.3 Å²	73.3	54%	0.537	39%	0.387	S	S	.	.			trans	-122	133.5	170.6	-71.8	-76.8	0	0	0	109.5	M403 S550 M554	M403-Y552 HydrophobicContact CE-CG 4.3Å; S550-Y552 WeakPolarHBondContact OG-CE2 3.4Å; Y552-M554 PolarHBondContact O-N 3.28Å
553	P	37.7	Very low	47.6	Very low	116 Å²	116	72.2 Å²	72.2	75%	0.753	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-70.7	127.5	174.1	27.7	-30.4	0	0	0	109.7
554	M	41	Very low	47.3	Very low	30 Å²	30	72 Å²	72	15%	0.148	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-82.9	155	171.5	-57.5	-169.4	83.8	0	0	110.3	I343 W345 I402 Y552 D556 W559	I343-M554 HydrophobicContact CD1-CE 3.29Å; I343-M554 HydrophobicContact CD1-SD 3.52Å; I343-M554 VanDerWaalsContact CD1-SD 3.52Å; W345-M554 HydrophobicContact CH2-CE 4.29Å; W345-M554 HydrophobicContact CZ2-CE 4.27Å; I402-M554 HydrophobicContact CG2-CE 3.05Å; Y552-M554 PolarHBondContact O-N 3.28Å; M554-D556 PolarHBondContact O-N 3.08Å; M554-W559 HydrophobicContact CE-CD2 4.13Å; M554-W559 HydrophobicContact CE-CG 4.47Å; M554-W559 HydrophobicContact CE-CH2 4.42Å; M554-W559 HydrophobicContact CE-CZ2 3.48Å; M554-W559 VanDerWaalsContact CE-CZ2 3.48Å; M554-W559 HydrophobicContact SD-CD2 4.26Å; M554-W559 HydrophobicContact SD-CG 4.38Å; M554-W559 HydrophobicContact SD-CZ2 4.44Å
555	N	41.7	Very low	47.3	Very low	83 Å²	83	69.3 Å²	69.3	44%	0.444	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-68.4	116.3	172	-177.5	14.3	0	0	0	110.8	E405 D557 W559	E405-N555 WeakPolarHBondContact OE1-CB 3.3Å; E405-N555 PolarHBondContact OE1-ND2 2.88Å; N555-D557 PolarHBondContact O-N 2.73Å; N555-D557 VanDerWaalsContact O-N 3.08Å; N555-W559 VanDerWaalsContact O-CD1 3.26Å
556	D	44	Very low	47	Very low	84 Å²	84	64.7 Å²	64.7	45%	0.449	34%	0.34	S	S	.	.	H	α-helix	trans	-59.2	-22.2	-168.6	-92.1	-4.9	0	0	0	116	M554 K560	M554-D556 PolarHBondContact O-N 3.08Å; D556-K560 HydrophobicContact CB-CD 4.17Å; D556-K560 VanDerWaalsContact O-CB 3.27Å; D556-K560 WeakPolarHBondContact O-CB 3.27Å; D556-K560 VanDerWaalsContact O-CG 3.23Å; D556-K560 WeakPolarHBondContact O-CG 3.36Å; D556-K560 PolarHBondContact O-N 3.47Å; D556-K560 VanDerWaalsContact OD2-CE 3.3Å; D556-K560 WeakPolarHBondContact OD2-CE 3.38Å; D556-K560 IonicContact OD2-NZ 3.42Å; D556-K560 PolarHBondContact OD2-NZ 2.92Å
557	D	47.6	Very low	46.5	Very low	49 Å²	49	61.1 Å²	61.1	26%	0.262	33%	0.326	S	S	.	.	H	α-helix	trans	-72.5	-49	-163.3	-74.2	-29	0	0	0	113.6	K28 N555	K28-D557 VanDerWaalsContact CE-CG 3.44Å; K28-D557 WeakPolarHBondContact CE-OD1 3.23Å; K28-D557 WeakPolarHBondContact CE-OD2 3.45Å; K28-D557 IonicContact NZ-OD2 2.82Å; K28-D557 PolarHBondContact NZ-OD2 2.65Å; N555-D557 PolarHBondContact O-N 2.73Å; N555-D557 VanDerWaalsContact O-N 3.08Å
558	L	45.8	Very low	45.8	Very low	10 Å²	10	62.2 Å²	62.2	5%	0.052	34%	0.341	C	S	.	.	H	α-helix	trans	-69.2	-39.1	176.3	-171.1	73.2	0	0	0	110.8	I392 A561 T562	I392-L558 HydrophobicContact CD1-CD1 4.24Å; I392-L558 HydrophobicContact CD1-CD2 4.4Å; L558-A561 WeakPolarHBondContact O-CB 3.3Å; L558-A561 PolarHBondContact O-N 3.2Å; L558-T562 PolarHBondContact O-N 3.11Å; L558-T562 VanDerWaalsContact O-N 3.14Å; L558-T562 PolarHBondContact O-OG1 2.86Å
559	W	45.3	Very low	45.8	Very low	15 Å²	15	56.8 Å²	56.8	6%	0.057	31%	0.307	C	S	.	.	H	α-helix	trans	-76.7	-30.2	-172.4	-67.5	108.4	0	0	0	114	P341 I343 V385 I402 M554 N555 A561 T562 G563	P341-W559 HydrophobicContact CG-CD2 4.37Å; P341-W559 HydrophobicContact CG-CE3 3.21Å; P341-W559 HydrophobicContact CG-CZ3 3.43Å; P341-W559 VanDerWaalsContact CG-CZ3 3.43Å; I343-W559 HydrophobicContact CD1-CH2 3.45Å; I343-W559 VanDerWaalsContact CD1-CH2 3.45Å; I343-W559 HydrophobicContact CD1-CZ2 3.61Å; I343-W559 HydrophobicContact CD1-CZ3 4.11Å; I343-W559 HydrophobicContact CG1-CH2 3.88Å; I343-W559 HydrophobicContact CG1-CZ3 4.33Å; V385-W559 HydrophobicContact CB-CH2 4.49Å; V385-W559 HydrophobicContact CG1-CH2 3.82Å; V385-W559 HydrophobicContact CG1-CZ3 4.48Å; V385-W559 HydrophobicContact CG2-CH2 3.96Å; V385-W559 HydrophobicContact CG2-CZ3 3.87Å; I402-W559 HydrophobicContact CG2-CZ2 3.59Å; M554-W559 HydrophobicContact CE-CD2 4.13Å; M554-W559 HydrophobicContact CE-CG 4.47Å; M554-W559 HydrophobicContact CE-CH2 4.42Å; M554-W559 HydrophobicContact CE-CZ2 3.48Å; M554-W559 VanDerWaalsContact CE-CZ2 3.48Å; M554-W559 HydrophobicContact SD-CD2 4.26Å; M554-W559 HydrophobicContact SD-CG 4.38Å; M554-W559 HydrophobicContact SD-CZ2 4.44Å; N555-W559 VanDerWaalsContact O-CD1 3.26Å; W559-A561 VanDerWaalsContact C-N 3.31Å; W559-T562 HydrophobicContact CE3-CG2 4.39Å; W559-T562 HydrophobicContact CZ3-CG2 4.36Å; W559-T562 PolarHBondContact O-N 2.85Å; W559-G563 PolarHBondContact O-N 2.83Å
560	K	45.5	Very low	46	Very low	120 Å²	120	53.8 Å²	53.8	52%	0.522	29%	0.285	S	S	.	.	H	α-helix	trans	-63.6	-38.5	167.8	-79.2	171.5	-173.7	160.7	0	110.9	D556 V564	D556-K560 HydrophobicContact CB-CD 4.17Å; D556-K560 VanDerWaalsContact O-CB 3.27Å; D556-K560 WeakPolarHBondContact O-CB 3.27Å; D556-K560 VanDerWaalsContact O-CG 3.23Å; D556-K560 WeakPolarHBondContact O-CG 3.36Å; D556-K560 PolarHBondContact O-N 3.47Å; D556-K560 VanDerWaalsContact OD2-CE 3.3Å; D556-K560 WeakPolarHBondContact OD2-CE 3.38Å; D556-K560 IonicContact OD2-NZ 3.42Å; D556-K560 PolarHBondContact OD2-NZ 2.92Å; K560-V564 WeakPolarHBondContact O-CB 3.22Å; K560-V564 WeakPolarHBondContact O-CG2 3.36Å; K560-V564 PolarHBondContact O-N 2.79Å
561	A	46.7	Very low	46.1	Very low	9 Å²	9	55.1 Å²	55.1	7%	0.074	30%	0.299	C	S	.	.	H	α-helix	trans	-64.1	-44.6	175.5	0	0	0	0	0	111.6	F27 L558 W559 Y565	F27-A561 HydrophobicContact CD1-CB 3.72Å; F27-A561 HydrophobicContact CD2-CB 4.37Å; F27-A561 HydrophobicContact CE1-CB 3.63Å; F27-A561 HydrophobicContact CE2-CB 4.29Å; F27-A561 HydrophobicContact CG-CB 4.11Å; F27-A561 HydrophobicContact CZ-CB 3.92Å; L558-A561 WeakPolarHBondContact O-CB 3.3Å; L558-A561 PolarHBondContact O-N 3.2Å; W559-A561 VanDerWaalsContact C-N 3.31Å; A561-Y565 WeakPolarHBondContact O-CB 3.14Å; A561-Y565 PolarHBondContact O-N 2.83Å
562	T	47.1	Very low	46.1	Very low	1 Å²	1	51.2 Å²	51.2	1%	0.006	29%	0.291	C	S	.	.	H	α-helix	trans	-63.3	-47.3	174.8	-50.5	0	0	0	0	112.8	P341 A384 F388 L558 W559 Y565 I566	P341-T562 HydrophobicContact CB-CG2 4.47Å; P341-T562 HydrophobicContact CG-CG2 3.96Å; A384-T562 HydrophobicContact CB-CG2 4.36Å; F388-T562 HydrophobicContact CD2-CG2 3.61Å; F388-T562 WeakPolarHBondContact CD2-OG1 3.29Å; F388-T562 VanDerWaalsContact CE2-CA 3.44Å; F388-T562 HydrophobicContact CE2-CG2 3.48Å; F388-T562 VanDerWaalsContact CE2-CG2 3.48Å; F388-T562 VanDerWaalsContact CE2-OG1 3.26Å; F388-T562 WeakPolarHBondContact CE2-OG1 3.41Å; F388-T562 HydrophobicContact CZ-CG2 4.49Å; L558-T562 PolarHBondContact O-N 3.11Å; L558-T562 VanDerWaalsContact O-N 3.14Å; L558-T562 PolarHBondContact O-OG1 2.86Å; W559-T562 HydrophobicContact CE3-CG2 4.39Å; W559-T562 HydrophobicContact CZ3-CG2 4.36Å; W559-T562 PolarHBondContact O-N 2.85Å; T562-Y565 WeakPolarHBondContact O-CB 3.36Å; T562-Y565 PolarHBondContact O-N 3.37Å; T562-I566 HydrophobicContact CG2-CD1 3.75Å; T562-I566 HydrophobicContact CG2-CG1 4.47Å; T562-I566 WeakPolarHBondContact O-CB 3.44Å; T562-I566 VanDerWaalsContact O-CG1 3.26Å; T562-I566 WeakPolarHBondContact O-CG1 2.83Å; T562-I566 PolarHBondContact O-N 2.9Å
563	G	48.5	Very low	45.8	Very low	10 Å²	10	46.8 Å²	46.8	10%	0.103	28%	0.277	C	S	.	.	H	α-helix	trans	-65.6	-42.6	179.9	0	0	0	0	0	112.7	W559 H567	W559-G563 PolarHBondContact O-N 2.83Å; G563-H567 WeakPolarHBondContact O-CB 3.48Å; G563-H567 PolarHBondContact O-N 3.4Å
564	V	47.4	Very low	45.6	Very low	74 Å²	74	46 Å²	46	45%	0.448	27%	0.271	S	S	.	.	H	α-helix	trans	-64.9	-40.2	173.1	171.4	0	0	0	0	110.4	F35 K560 A568	F35-V564 HydrophobicContact CE1-CG1 3.88Å; F35-V564 HydrophobicContact CZ-CG1 4.02Å; K560-V564 WeakPolarHBondContact O-CB 3.22Å; K560-V564 WeakPolarHBondContact O-CG2 3.36Å; K560-V564 PolarHBondContact O-N 2.79Å; V564-A568 WeakPolarHBondContact O-CB 3.48Å; V564-A568 PolarHBondContact O-N 3.43Å
565	Y	50.4	Low	45.2	Very low	1 Å²	1	51.8 Å²	51.8	0%	0.004	30%	0.303	C	S	.	.	H	α-helix	trans	-61	-52.2	176.3	176.2	-97.9	0	0	0	112.3	W38 L39 L42 F388 F433 A561 T562 K569 F570	W38-Y565 HydrophobicContact CH2-CD2 4.25Å; W38-Y565 HydrophobicContact CH2-CE2 4.2Å; W38-Y565 AromaticContact CZ3-CD2 3.94Å; W38-Y565 HydrophobicContact CZ3-CD2 3.94Å; W38-Y565 HydrophobicContact CZ3-CE2 4.14Å; L39-Y565 HydrophobicContact CD2-CD2 3.82Å; L39-Y565 HydrophobicContact CD2-CE2 4.14Å; L42-Y565 HydrophobicContact CD1-CE2 4.09Å; F388-Y565 HydrophobicContact CE2-CD1 4.19Å; F388-Y565 HydrophobicContact CE2-CG 4.45Å; F388-Y565 HydrophobicContact CZ-CD1 4.21Å; F388-Y565 HydrophobicContact CZ-CG 4.03Å; F433-Y565 WeakPolarHBondContact CD1-OH 3.48Å; F433-Y565 WeakPolarHBondContact CD2-OH 3.2Å; F433-Y565 HydrophobicContact CE1-CE1 4.28Å; F433-Y565 WeakPolarHBondContact CE1-OH 3.35Å; F433-Y565 HydrophobicContact CE2-CE1 4.38Å; F433-Y565 HydrophobicContact CE2-CE2 4.45Å; F433-Y565 AromaticContact CE2-CZ 3.67Å; F433-Y565 WeakPolarHBondContact CE2-OH 3.46Å; F433-Y565 WeakPolarHBondContact CG-OH 3.4Å; F433-Y565 AromaticContact CZ-CE1 3.98Å; F433-Y565 HydrophobicContact CZ-CE1 3.98Å; F433-Y565 AromaticContact CZ-CZ 3.73Å; F433-Y565 WeakPolarHBondContact CZ-OH 3.41Å; A561-Y565 WeakPolarHBondContact O-CB 3.14Å; A561-Y565 PolarHBondContact O-N 2.83Å; T562-Y565 WeakPolarHBondContact O-CB 3.36Å; T562-Y565 PolarHBondContact O-N 3.37Å; Y565-K569 HydrophobicContact CE2-CD 3.92Å; Y565-K569 PolarHBondContact O-N 3.29Å; Y565-F570 HydrophobicContact CE1-CE2 4.41Å
566	I	49	Very low	44.7	Very low	0 Å²	0	51.3 Å²	51.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.6	-47.7	179.3	-68.3	166.2	0	0	0	110.3	L335 P341 C381 A384 T562 K569 F570	L335-I566 HydrophobicContact CB-CG2 4.42Å; L335-I566 HydrophobicContact CD2-CG2 3.33Å; L335-I566 HydrophobicContact CG-CG2 4.45Å; P341-I566 HydrophobicContact CB-CD1 4.08Å; C381-I566 HydrophobicContact CB-CD1 4.37Å; A384-I566 HydrophobicContact CB-CD1 4Å; A384-I566 HydrophobicContact CB-CG1 4.07Å; T562-I566 HydrophobicContact CG2-CD1 3.75Å; T562-I566 HydrophobicContact CG2-CG1 4.47Å; T562-I566 WeakPolarHBondContact O-CB 3.44Å; T562-I566 VanDerWaalsContact O-CG1 3.26Å; T562-I566 WeakPolarHBondContact O-CG1 2.83Å; T562-I566 PolarHBondContact O-N 2.9Å; I566-K569 PolarHBondContact O-N 3.39Å; I566-F570 HydrophobicContact CG2-CD2 4.39Å; I566-F570 PolarHBondContact O-N 2.73Å
567	H	47.6	Very low	43.8	Very low	95 Å²	95	53.9 Å²	53.9	44%	0.44	31%	0.313	S	S	.	.	H	α-helix	trans	-69.4	-38.7	-177	-168.6	64.3	0	0	0	112.7	L335 G563 K569 A571	L335-H567 PolarHBondContact O-ND1 2.92Å; G563-H567 WeakPolarHBondContact O-CB 3.48Å; G563-H567 PolarHBondContact O-N 3.4Å; H567-K569 VanDerWaalsContact C-N 3.28Å; H567-K569 PolarHBondContact O-N 2.98Å; H567-A571 WeakPolarHBondContact O-CB 3.5Å
568	A	49.7	Very low	42.9	Very low	63 Å²	63	54 Å²	54	52%	0.521	32%	0.317	S	S	.	.	H	α-helix	trans	-68.7	-23.8	-180	0	0	0	0	0	113.5	V564	V564-A568 WeakPolarHBondContact O-CB 3.48Å; V564-A568 PolarHBondContact O-N 3.43Å
569	K	50.8	Low	41.9	Very low	10 Å²	10	61 Å²	61	4%	0.043	36%	0.355	C	S	.	.	H	α-helix	trans	-102.5	-54.2	-176.2	-70.4	-153.6	174.7	-160.6	0	113.7	L42 N43 Y565 I566 H567 S572	L42-K569 PolarHBondContact O-NZ 3.24Å; N43-K569 WeakPolarHBondContact OD1-CE 3.42Å; N43-K569 PolarHBondContact OD1-NZ 2.91Å; Y565-K569 HydrophobicContact CE2-CD 3.92Å; Y565-K569 PolarHBondContact O-N 3.29Å; I566-K569 PolarHBondContact O-N 3.39Å; H567-K569 VanDerWaalsContact C-N 3.28Å; H567-K569 PolarHBondContact O-N 2.98Å; K569-S572 PolarHBondContact O-OG 3.09Å
570	F	51.1	Low	41.2	Very low	5 Å²	5	67.8 Å²	67.8	2%	0.022	39%	0.391	C	S	.	.	H	α-helix	trans	-91.7	-9.1	-166.5	-58.6	-74.1	0	0	0	113.7	L335 I380 F433 Y565 I566 S572 L573	L335-F570 HydrophobicContact CD1-CB 3.71Å; L335-F570 HydrophobicContact CD2-CB 3.84Å; L335-F570 HydrophobicContact CD2-CD2 4.33Å; L335-F570 HydrophobicContact CD2-CG 4.3Å; L335-F570 HydrophobicContact CG-CB 4.3Å; I380-F570 HydrophobicContact CD1-CD1 3.94Å; I380-F570 HydrophobicContact CD1-CE1 4.05Å; I380-F570 HydrophobicContact CD1-CG 4.42Å; I380-F570 HydrophobicContact CG1-CE1 4.25Å; I380-F570 HydrophobicContact CG1-CZ 4.44Å; I380-F570 HydrophobicContact CG2-CD1 4.08Å; I380-F570 HydrophobicContact CG2-CD2 3.39Å; I380-F570 HydrophobicContact CG2-CE1 3.9Å; I380-F570 HydrophobicContact CG2-CE2 3.21Å; I380-F570 HydrophobicContact CG2-CG 3.82Å; I380-F570 HydrophobicContact CG2-CZ 3.46Å; I380-F570 VanDerWaalsContact CG2-CZ 3.46Å; F433-F570 HydrophobicContact CD1-CZ 4.41Å; Y565-F570 HydrophobicContact CE1-CE2 4.41Å; I566-F570 HydrophobicContact CG2-CD2 4.39Å; I566-F570 PolarHBondContact O-N 2.73Å; F570-S572 PolarHBondContact O-N 3.16Å; F570-S572 VanDerWaalsContact O-N 3.09Å; F570-L573 HydrophobicContact CB-CD1 4.26Å; F570-L573 HydrophobicContact CB-CG 4.47Å; F570-L573 HydrophobicContact CD1-CD1 3.49Å; F570-L573 VanDerWaalsContact CD1-CD1 3.49Å; F570-L573 HydrophobicContact CD1-CG 4Å; F570-L573 HydrophobicContact CE1-CD1 4.3Å; F570-L573 HydrophobicContact CG-CD1 4.35Å; F570-L573 PolarHBondContact O-N 3.33Å; F570-L573 VanDerWaalsContact O-N 3.1Å
571	A	45.8	Very low	41	Very low	65 Å²	65	65.2 Å²	65.2	54%	0.537	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-15.9	172.8	0	0	0	0	0	113.4	H567	H567-A571 WeakPolarHBondContact O-CB 3.5Å
572	S	40.3	Very low	40.7	Very low	98 Å²	98	68.2 Å²	68.2	69%	0.685	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	0.7	177.1	69.4	0	0	0	0	114.5	K569 F570 P574	K569-S572 PolarHBondContact O-OG 3.09Å; F570-S572 PolarHBondContact O-N 3.16Å; F570-S572 VanDerWaalsContact O-N 3.09Å; S572-P574 WeakPolarHBondContact O-CD 3.41Å; S572-P574 VanDerWaalsContact O-N 3.16Å
573	L	38.4	Very low	40.3	Very low	45 Å²	45	71.9 Å²	71.9	24%	0.236	42%	0.423	C	S	.	.	S	Bend	trans	-60.8	122.1	168.3	-77.7	-178.1	0	0	0	106.9	I380 F570 N575 I576	I380-L573 HydrophobicContact CD1-CD1 4.02Å; F570-L573 HydrophobicContact CB-CD1 4.26Å; F570-L573 HydrophobicContact CB-CG 4.47Å; F570-L573 HydrophobicContact CD1-CD1 3.49Å; F570-L573 VanDerWaalsContact CD1-CD1 3.49Å; F570-L573 HydrophobicContact CD1-CG 4Å; F570-L573 HydrophobicContact CE1-CD1 4.3Å; F570-L573 HydrophobicContact CG-CD1 4.35Å; F570-L573 PolarHBondContact O-N 3.33Å; F570-L573 VanDerWaalsContact O-N 3.1Å; L573-N575 PolarHBondContact O-N 3.29Å; L573-I576 HydrophobicContact CD2-CD1 4.49Å
574	P	33.5	Very low	39.8	Very low	98 Å²	98	75.5 Å²	75.5	64%	0.636	44%	0.442	S	S	*	.			trans	-54.1	142	165.6	23.3	-29.5	0	0	0	106.9	S572 I576	S572-P574 WeakPolarHBondContact O-CD 3.41Å; S572-P574 VanDerWaalsContact O-N 3.16Å; P574-I576 VanDerWaalsContact C-N 3.3Å; P574-I576 VanDerWaalsContact O-CG1 3.28Å; P574-I576 WeakPolarHBondContact O-CG1 3.34Å; P574-I576 PolarHBondContact O-N 2.89Å
575	N	32.2	Very low	39.4	Very low	152 Å²	152	75.6 Å²	75.6	81%	0.813	44%	0.442	S	S	*	.			trans	-47.6	101.1	173.9	-85.5	-22.3	0	0	0	108.1	L573 N577	L573-N575 PolarHBondContact O-N 3.29Å; N575-N577 PolarHBondContact O-N 3.08Å
576	I	31.6	Very low	38.6	Very low	74 Å²	74	80.6 Å²	80.6	38%	0.379	47%	0.471	S	S	.	.			trans	-78.8	85.5	173	-53.3	-177.9	0	0	0	102.8	L376 L573 P574 C578	L376-I576 HydrophobicContact CD1-CB 4.37Å; L376-I576 HydrophobicContact CD1-CG2 4.2Å; L573-I576 HydrophobicContact CD2-CD1 4.49Å; P574-I576 VanDerWaalsContact C-N 3.3Å; P574-I576 VanDerWaalsContact O-CG1 3.28Å; P574-I576 WeakPolarHBondContact O-CG1 3.34Å; P574-I576 PolarHBondContact O-N 2.89Å; I576-C578 VanDerWaalsContact CG2-SG 3.53Å; I576-C578 PolarHBondContact O-N 3.04Å
577	N	26.1	Very low	37.9	Very low	138 Å²	138	86.4 Å²	86.4	74%	0.738	50%	0.504	S	S	*	.			trans	-65.2	92.9	155.9	-89.6	3.6	0	0	0	104.9	N575 D579	N575-N577 PolarHBondContact O-N 3.08Å; N577-D579 PolarHBondContact O-N 2.82Å; N577-D579 VanDerWaalsContact O-N 3.08Å
578	C	28.6	Very low	37.1	Very low	51 Å²	51	85.7 Å²	85.7	35%	0.345	51%	0.509	S	S	.	.			trans	-68.5	96.5	156.3	-73.2	0	0	0	0	105.5	I576 L580	I576-C578 VanDerWaalsContact CG2-SG 3.53Å; I576-C578 PolarHBondContact O-N 3.04Å; C578-L580 HydrophobicContact CB-CG 4.21Å; C578-L580 PolarHBondContact O-N 2.62Å
579	D	24.9	Very low	36.1	Very low	158 Å²	158	87.6 Å²	87.6	85%	0.845	51%	0.508	S	S	*	.			trans	-66.9	92.1	152.1	-73.1	-26.2	0	0	0	105	N577	N577-D579 PolarHBondContact O-N 2.82Å; N577-D579 VanDerWaalsContact O-N 3.08Å
580	L	29.9	Very low	34.7	Very low	157 Å²	157	94.6 Å²	94.6	82%	0.822	55%	0.551	S	S	*	*			trans	-81.9	0	169.2	-88.7	167.7	0	0	0	109.7	Y497 C578	Y497-L580 HydrophobicContact CE1-CD2 4.43Å; C578-L580 HydrophobicContact CB-CG 4.21Å; C578-L580 PolarHBondContact O-N 2.62Å

Retrieved 580 of 580 residues in 183.5 ms (Link to these results)

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