A0A3Q0KDJ2_SCHMA Loading...

Putative tbc1 domain family member

AlphaFold DB , UniProt , Accession A0A3Q0KDJ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 767 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	26	Very low	28.2	Very low	237 Å²	237	162.1 Å²	162.1	100%	1.167	86%	0.857	S	S	*	*				0	30.7	0	-108.7	-60.6	-83.2	0	0	112.9
2	S	26.1	Very low	28.3	Very low	110 Å²	110	164.3 Å²	164.3	77%	0.769	85%	0.854	S	S	*	*			trans	-174.5	153.2	138.1	64.3	0	0	0	0	105.8
3	V	31	Very low	28.3	Very low	126 Å²	126	167.8 Å²	167.8	76%	0.764	86%	0.859	S	S	*	*	S	Bend	trans	84.3	69.3	-169.3	-160.9	0	0	0	0	112.7
4	L	29	Very low	28	Very low	151 Å²	151	160.4 Å²	160.4	79%	0.791	85%	0.845	S	S	*	*				80.5	96.9	83.7	-72.1	161.5	0	0	0	110.3
5	N	27.2	Very low	27.9	Very low	157 Å²	157	161.1 Å²	161.1	84%	0.84	85%	0.849	S	S	*	*				43.9	84.5	74.2	-87.1	4	0	0	0	112.7
6	E	28.2	Very low	27.7	Very low	184 Å²	184	157.9 Å²	157.9	86%	0.86	85%	0.845	S	S	*	*			trans	-168.8	148.2	150.2	-108.1	163.6	-162.2	0	0	108.5
7	L	30.4	Very low	27.7	Very low	180 Å²	180	156.2 Å²	156.2	94%	0.942	84%	0.841	S	S	*	*			trans	89.7	50.9	-167	-48.6	175.6	0	0	0	115
8	Q	27.2	Very low	27.5	Very low	178 Å²	178	157.3 Å²	157.3	83%	0.832	84%	0.84	S	S	*	*			trans	-73.2	152.7	138.1	-98.5	176	-52.3	0	0	109.6
9	N	28.1	Very low	27.4	Very low	140 Å²	140	158.2 Å²	158.2	75%	0.749	84%	0.836	S	S	*	*			trans	99.7	87.5	168.8	-49.9	-22.2	0	0	0	114.5
10	D	30.1	Very low	27.3	Very low	167 Å²	167	156 Å²	156	89%	0.893	83%	0.834	S	S	*	*				-162.7	118.1	106	-92.9	-23.1	0	0	0	111.4
11	D	26.4	Very low	27.4	Very low	153 Å²	153	153.3 Å²	153.3	82%	0.818	83%	0.827	S	S	*	*			trans	-68.8	138.1	176.1	-72.9	-48.5	0	0	0	112
12	K	29.5	Very low	27.5	Very low	189 Å²	189	146.4 Å²	146.4	82%	0.822	80%	0.801	S	S	*	*			trans	153.2	101.8	133.9	-85	165.1	-177.1	177.7	0	110.3
13	F	28.5	Very low	27.6	Very low	209 Å²	209	150 Å²	150	92%	0.917	80%	0.803	S	S	*	*				173.6	111.1	115.9	-105.4	-81.9	0	0	0	108.9
14	G	24.3	Very low	27.5	Very low	65 Å²	65	151.8 Å²	151.8	67%	0.67	80%	0.803	S	S	*	*			trans	-75.6	141.3	174.2	0	0	0	0	0	112.1
15	N	27.1	Very low	27.6	Very low	170 Å²	170	151.2 Å²	151.2	91%	0.909	79%	0.794	S	S	*	*				-164	121	117.5	-95.2	-18	0	0	0	109.3
16	S	23.6	Very low	27.7	Very low	111 Å²	111	152 Å²	152	78%	0.776	79%	0.787	S	S	*	*			trans	-71	127.3	-176.6	48.6	0	0	0	0	113
17	V	27.6	Very low	27.7	Very low	128 Å²	128	147 Å²	147	78%	0.776	77%	0.773	S	S	*	*			trans	-135.3	114.4	145	-179.7	0	0	0	0	107.4	F19	V17-F19 HydrophobicContact CG1-CD2 4.31Å; V17-F19 PolarHBondContact O-N 2.78Å
18	E	23.9	Very low	27.5	Very low	176 Å²	176	143.4 Å²	143.4	82%	0.822	76%	0.762	S	S	*	*			trans	-61.8	120	179.5	-65.2	173.9	142.1	0	0	111.4
19	F	26.6	Very low	27.6	Very low	174 Å²	174	141.4 Å²	141.4	76%	0.763	76%	0.763	S	S	*	*			trans	-136.3	70.3	165.6	-102.4	-82.6	0	0	0	109.4	V17	V17-F19 HydrophobicContact CG1-CD2 4.31Å; V17-F19 PolarHBondContact O-N 2.78Å
20	S	25.5	Very low	27.5	Very low	114 Å²	114	142.6 Å²	142.6	80%	0.797	77%	0.768	S	S	*	*			trans	-92.9	7.5	-179.1	43.9	0	0	0	0	114.6
21	S	28.4	Very low	27.4	Very low	100 Å²	100	142 Å²	142	70%	0.699	76%	0.764	S	S	*	*	S	Bend	trans	-108.6	-1.7	-177	65	0	0	0	0	116.4
22	C	28.2	Very low	27.4	Very low	92 Å²	92	138.5 Å²	138.5	62%	0.622	75%	0.752	S	S	*	*	S	Bend	trans	-100.8	-0	-177.2	-151.1	0	0	0	0	114.9
23	K	28.9	Very low	27.5	Very low	185 Å²	185	141.4 Å²	141.4	80%	0.804	76%	0.757	S	S	*	*	S	Bend	trans	-89.1	0.1	-179.7	-82.4	-175.6	175.6	177.9	0	115.3
24	Q	29	Very low	27.8	Very low	165 Å²	165	136.6 Å²	136.6	77%	0.771	75%	0.75	S	S	*	*	S	Bend	trans	-102.3	-5.3	-174.7	-87.1	178.1	-18.5	0	0	116
25	K	30.5	Very low	28.2	Very low	138 Å²	138	141 Å²	141	60%	0.6	75%	0.751	S	S	*	*	S	Bend	trans	-94.5	2.3	-178.7	-80.9	178.8	177.4	168.9	0	115.7	N190	K25-N190 PolarHBondContact NZ-O 2.83Å
26	Y	29.4	Very low	28.4	Very low	173 Å²	173	137 Å²	137	68%	0.678	73%	0.732	S	S	*	*	S	Bend	trans	-134.5	18.2	175.8	-79.7	-80.9	0	0	0	114
27	S	27.9	Very low	28.8	Very low	81 Å²	81	135.7 Å²	135.7	57%	0.566	72%	0.723	S	S	*	*			trans	-133.1	17.8	-175.6	-59.6	0	0	0	0	115.2
28	S	27.1	Very low	29.1	Very low	103 Å²	103	133 Å²	133	72%	0.72	71%	0.71	S	S	*	*			trans	-105.2	55.4	176.4	64.1	0	0	0	0	112.9
29	T	28.4	Very low	29.5	Very low	137 Å²	137	131.2 Å²	131.2	84%	0.84	70%	0.702	S	S	*	*			trans	-142.3	45	156.1	29	0	0	0	0	109.4	L31	T29-L31 VanDerWaalsContact C-N 3.34Å; T29-L31 PolarHBondContact O-N 3.3Å
30	L	26.8	Very low	29.8	Very low	164 Å²	164	127.6 Å²	127.6	86%	0.859	69%	0.689	S	S	*	*			trans	-84.8	78.8	162.3	-72.7	173.6	0	0	0	108.8
31	L	27.6	Very low	30.1	Very low	154 Å²	154	127.5 Å²	127.5	81%	0.806	68%	0.68	S	S	*	*			trans	-101.9	98.3	160.4	-104.8	122.8	0	0	0	109	T29 R33	T29-L31 VanDerWaalsContact C-N 3.34Å; T29-L31 PolarHBondContact O-N 3.3Å; L31-R33 PolarHBondContact O-N 3.5Å
32	S	27.8	Very low	30.2	Very low	81 Å²	81	130.1 Å²	130.1	57%	0.566	68%	0.681	S	S	*	*			trans	33.8	84.9	150.2	59.5	0	0	0	0	117.6	S34	S32-S34 PolarHBondContact O-N 3.43Å; S32-S34 VanDerWaalsContact O-N 3.08Å
33	R	29.7	Very low	30.4	Very low	249 Å²	249	129.8 Å²	129.8	94%	0.94	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	32.3	175	-109.2	-176.4	-178.8	-177.7	1.3	115.1	L31	L31-R33 PolarHBondContact O-N 3.5Å
34	S	34.9	Very low	30.5	Very low	109 Å²	109	125.6 Å²	125.6	76%	0.762	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	2	175.7	78	0	0	0	0	115.2	S32	S32-S34 PolarHBondContact O-N 3.43Å; S32-S34 VanDerWaalsContact O-N 3.08Å
35	K	33.3	Very low	30.5	Very low	157 Å²	157	122 Å²	122	68%	0.683	66%	0.664	S	S	*	*	S	Bend	trans	-123	-16	178.8	-96.2	177.1	172.7	177.9	0	115.5	S38	K35-S38 PolarHBondContact O-OG 3.03Å
36	V	31.9	Very low	30.5	Very low	85 Å²	85	123.4 Å²	123.4	52%	0.515	68%	0.677	S	S	.	*	H	α-helix	trans	-86	-15.9	-179.8	-179.5	0	0	0	0	112.2	I40	V36-I40 HydrophobicContact CG1-CD1 3.66Å; V36-I40 HydrophobicContact CG1-CG1 4.41Å; V36-I40 WeakPolarHBondContact O-CD1 3.48Å; V36-I40 VanDerWaalsContact O-CG1 3.3Å; V36-I40 WeakPolarHBondContact O-CG1 3.19Å
37	S	31.6	Very low	30.4	Very low	85 Å²	85	120 Å²	120	59%	0.594	68%	0.678	S	S	*	*	H	α-helix	trans	-86	-8.5	-178.3	-147.1	0	0	0	0	114.4	N41	S37-N41 PolarHBondContact O-ND2 3.33Å
38	S	33.6	Very low	30.3	Very low	72 Å²	72	120.9 Å²	120.9	50%	0.503	69%	0.685	S	S	.	*	H	α-helix	trans	-96.4	-33.4	174.2	53.9	0	0	0	0	112.7	K35	K35-S38 PolarHBondContact O-OG 3.03Å
39	E	32.1	Very low	30.2	Very low	138 Å²	138	121 Å²	121	65%	0.645	69%	0.685	S	S	*	*	H	α-helix	trans	-78.9	-24.2	-178.9	-68.4	172	176.7	0	0	112.8
40	I	33.6	Very low	30.1	Very low	98 Å²	98	123.5 Å²	123.5	50%	0.503	69%	0.688	S	S	.	*	H	α-helix	trans	-77.1	-25.9	175.2	-66.9	174.4	0	0	0	111.9	V36 L44	V36-I40 HydrophobicContact CG1-CD1 3.66Å; V36-I40 HydrophobicContact CG1-CG1 4.41Å; V36-I40 WeakPolarHBondContact O-CD1 3.48Å; V36-I40 VanDerWaalsContact O-CG1 3.3Å; V36-I40 WeakPolarHBondContact O-CG1 3.19Å; I40-L44 HydrophobicContact CG2-CD1 4.39Å; I40-L44 VanDerWaalsContact O-CD1 3.29Å; I40-L44 WeakPolarHBondContact O-CD1 3.37Å; I40-L44 VanDerWaalsContact O-CG 3.31Å; I40-L44 WeakPolarHBondContact O-CG 3.48Å
41	N	31.3	Very low	30	Very low	112 Å²	112	124 Å²	124	60%	0.599	69%	0.687	S	S	*	*	H	α-helix	trans	-82.1	-18.6	179.4	-78.4	-34.7	0	0	0	113.3	S37	S37-N41 PolarHBondContact O-ND2 3.33Å
42	E	31.7	Very low	29.9	Very low	155 Å²	155	122.9 Å²	122.9	72%	0.724	68%	0.681	S	S	*	*	H	α-helix	trans	-88.8	-28.7	179.5	-136.9	164.9	-165.3	0	0	112.5	L44 S45	E42-L44 VanDerWaalsContact C-N 3.26Å; E42-L44 PolarHBondContact O-N 3.03Å; E42-S45 PolarHBondContact O-OG 3.22Å
43	A	30.8	Very low	29.8	Very low	84 Å²	84	126.3 Å²	126.3	69%	0.694	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	-8.5	176	0	0	0	0	0	114.4
44	L	30.9	Very low	29.5	Very low	97 Å²	97	124.8 Å²	124.8	51%	0.508	69%	0.686	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.5	10.8	-176.6	-74.6	173.4	0	0	0	114.1	I40 E42 K288	I40-L44 HydrophobicContact CG2-CD1 4.39Å; I40-L44 VanDerWaalsContact O-CD1 3.29Å; I40-L44 WeakPolarHBondContact O-CD1 3.37Å; I40-L44 VanDerWaalsContact O-CG 3.31Å; I40-L44 WeakPolarHBondContact O-CG 3.48Å; E42-L44 VanDerWaalsContact C-N 3.26Å; E42-L44 PolarHBondContact O-N 3.03Å; L44-K288 VanDerWaalsContact CD1-NZ 3.28Å
45	S	29.3	Very low	29	Very low	91 Å²	91	125 Å²	125	64%	0.636	69%	0.688	S	S	*	*			trans	-103.1	2	-172.3	64.8	0	0	0	0	116.2	E42	E42-S45 PolarHBondContact O-OG 3.22Å
46	L	30.2	Very low	28.7	Very low	166 Å²	166	124.2 Å²	124.2	87%	0.869	70%	0.695	S	S	*	*			trans	-114.1	113.6	-177.2	-78.5	157.5	0	0	0	112.7
47	S	27.4	Very low	28.4	Very low	102 Å²	102	129.5 Å²	129.5	71%	0.713	71%	0.712	S	S	*	*			trans	-76.5	154	-173.5	90	0	0	0	0	114.1
48	S	25.5	Very low	28.1	Very low	100 Å²	100	135.9 Å²	135.9	70%	0.699	72%	0.723	S	S	*	*			trans	75	118.6	141.4	-50.4	0	0	0	0	119.5
49	S	24.9	Very low	27.7	Very low	105 Å²	105	139.5 Å²	139.5	73%	0.734	74%	0.736	S	S	*	*	S	Bend	trans	71.5	112.5	141.5	-57.3	0	0	0	0	118.5
50	Q	26.7	Very low	27.4	Very low	190 Å²	190	138.4 Å²	138.4	89%	0.888	74%	0.739	S	S	*	*			trans	50.9	80	149.1	-63.9	176.2	-12.1	0	0	116.8
51	M	25.1	Very low	27.1	Very low	173 Å²	173	142.8 Å²	142.8	85%	0.852	75%	0.754	S	S	*	*			trans	-147.4	104.2	151.1	-82.7	-155	-176.9	0	0	111
52	I	25	Very low	26.9	Very low	131 Å²	131	146.8 Å²	146.8	67%	0.672	77%	0.766	S	S	*	*				93.4	105	98.3	-72.6	165.8	0	0	0	112.3	R54	I52-R54 PolarHBondContact O-N 3.43Å; I52-R54 VanDerWaalsContact O-N 3.09Å
53	I	25.6	Very low	26.9	Very low	154 Å²	154	142.8 Å²	142.8	79%	0.79	75%	0.754	S	S	*	*	S	Bend	trans	-40.9	104.1	143	-60.9	164	0	0	0	109.1
54	R	23.4	Very low	26.6	Very low	216 Å²	216	142.1 Å²	142.1	82%	0.815	74%	0.738	S	S	*	*			trans	161.4	145.4	143.4	-89.6	153.7	-174.4	146.5	0.8	112.2	I52	I52-R54 PolarHBondContact O-N 3.43Å; I52-R54 VanDerWaalsContact O-N 3.09Å
55	S	24.6	Very low	26.4	Very low	115 Å²	115	146.2 Å²	146.2	80%	0.804	76%	0.755	S	S	*	*			trans	75.4	111.6	176.1	77.4	0	0	0	0	112.6
56	V	27.4	Very low	26.2	Very low	139 Å²	139	146.9 Å²	146.9	84%	0.842	75%	0.75	S	S	*	*				-144.1	100.3	64.7	178.7	0	0	0	0	110.5
57	K	26.1	Very low	26	Very low	197 Å²	197	144.1 Å²	144.1	86%	0.857	75%	0.745	S	S	*	*			trans	-96.7	113.9	149.7	-95.1	-176	176.5	179.3	0	105.6
58	R	24.7	Very low	26	Very low	219 Å²	219	141.8 Å²	141.8	83%	0.826	74%	0.737	S	S	*	*			trans	171.7	132.1	139.5	-95.8	159.2	-169.5	146.7	0.5	110.7
59	N	25	Very low	26.3	Very low	147 Å²	147	143 Å²	143	79%	0.786	74%	0.736	S	S	*	*			trans	81.6	131.9	157.4	-55	-18.9	0	0	0	115.6
60	V	26.9	Very low	26.6	Very low	115 Å²	115	142 Å²	142	70%	0.697	73%	0.725	S	S	*	*			cis	-167.3	140.3	6.6	133.5	0	0	0	0	106.8
61	K	25.6	Very low	27.2	Very low	190 Å²	190	134.4 Å²	134.4	83%	0.826	69%	0.691	S	S	*	*			trans	13.7	143.4	146.5	-51.9	172.5	176	175.6	0	117.9
62	K	26.9	Very low	27.6	Very low	196 Å²	196	130 Å²	130	85%	0.852	68%	0.677	S	S	*	*			cis	-175.2	-174.6	9.1	-131.5	-171.1	-176.9	-174.4	0	106.6
63	P	31.9	Very low	28	Very low	72 Å²	72	130 Å²	130	47%	0.468	68%	0.679	S	S	.	*				-113	-163.9	-125.3	36.4	-15	0	0	0	116.2	D381	P63-D381 WeakPolarHBondContact CD-OD2 3.28Å; P63-D381 HydrophobicContact CG-CB 3.83Å; P63-D381 VanDerWaalsContact O-CG 3.31Å; P63-D381 VanDerWaalsContact O-OD2 3.11Å
64	N	24.7	Very low	28.5	Very low	69 Å²	69	123.7 Å²	123.7	37%	0.369	65%	0.646	S	S	.	*			trans	94	111.2	165.1	-76.5	7.1	0	0	0	120.3	D381 N382	N64-D381 HydrophobicContact CB-CB 3.97Å; N64-D381 WeakPolarHBondContact CB-OD1 3.27Å; N64-D381 VanDerWaalsContact CG-OD1 3.29Å; N64-D381 WeakPolarHBondContact ND2-CA 3.45Å; N64-D381 WeakPolarHBondContact ND2-CB 3.01Å; N64-D381 VanDerWaalsContact ND2-CG 3.32Å; N64-D381 PolarHBondContact ND2-OD1 3.46Å; N64-N382 PolarHBondContact ND2-N 3.02Å
65	Q	26.4	Very low	28.8	Very low	184 Å²	184	119.2 Å²	119.2	86%	0.86	64%	0.638	S	S	*	*				-175.6	137.3	94.8	-91.4	-177.9	12.4	0	0	108.5
66	I	25.3	Very low	29.6	Very low	104 Å²	104	117.8 Å²	117.8	53%	0.533	62%	0.615	S	S	.	*			trans	-104.3	111.1	-166.3	-78.5	170.9	0	0	0	109.2	N384	I66-N384 HydrophobicContact CB-CB 3.77Å; I66-N384 HydrophobicContact CD1-CB 3.24Å; I66-N384 WeakPolarHBondContact CD1-O 3.4Å; I66-N384 HydrophobicContact CG1-CB 3.92Å; I66-N384 HydrophobicContact CG2-CB 4.15Å
67	S	26	Very low	29.9	Very low	108 Å²	108	117.3 Å²	117.3	76%	0.755	61%	0.613	S	S	*	*			trans	-167.2	112.1	160	58.5	0	0	0	0	110.5
68	G	28.5	Very low	30.2	Very low	54 Å²	54	115.3 Å²	115.3	56%	0.557	61%	0.606	S	S	*	*			trans	107.9	110.7	172.8	0	0	0	0	0	113	T70	G68-T70 PolarHBondContact O-N 3.4Å
69	N	32.4	Very low	30.5	Very low	126 Å²	126	108.2 Å²	108.2	67%	0.674	59%	0.591	S	S	*	*			trans	-68	80.1	169.9	-73.7	-17.3	0	0	0	109.1
70	T	31.2	Very low	30.9	Very low	82 Å²	82	105.2 Å²	105.2	50%	0.503	58%	0.581	S	S	.	*			trans	-81.5	130.2	171	43.4	0	0	0	0	109.4	G68 S72 D73	G68-T70 PolarHBondContact O-N 3.4Å; T70-S72 VanDerWaalsContact CB-OG 3.3Å; T70-S72 WeakPolarHBondContact CB-OG 3.25Å; T70-S72 PolarHBondContact O-N 3.22Å; T70-S72 PolarHBondContact OG1-OG 3.45Å; T70-S72 VanDerWaalsContact OG1-OG 3.05Å; T70-D73 PolarHBondContact O-N 2.94Å
71	L	38	Very low	31.5	Very low	32 Å²	32	100.5 Å²	100.5	17%	0.168	55%	0.553	C	S	.	*	G	3₁₀ helix	trans	-60.8	-6.4	176.2	-140.2	85.1	0	0	0	113.2	D73 L74 W76 I243 K304 F307	L71-D73 VanDerWaalsContact C-N 3.28Å; L71-D73 PolarHBondContact O-N 3.45Å; L71-L74 HydrophobicContact CD1-CD1 4.26Å; L71-L74 HydrophobicContact CG-CD1 4.12Å; L71-W76 HydrophobicContact CD2-CH2 4.27Å; L71-W76 HydrophobicContact CD2-CZ2 3.68Å; L71-W76 HydrophobicContact CG-CH2 4.42Å; L71-W76 HydrophobicContact CG-CZ2 3.8Å; L71-I243 HydrophobicContact CD1-CD1 3.95Å; L71-K304 HydrophobicContact CD2-CB 4.38Å; L71-F307 HydrophobicContact CD1-CD1 4.46Å
72	S	33.5	Very low	32	Very low	81 Å²	81	95.7 Å²	95.7	57%	0.566	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-66.3	-25.2	176.4	56.1	0	0	0	0	113.7	T70 L74	T70-S72 VanDerWaalsContact CB-OG 3.3Å; T70-S72 WeakPolarHBondContact CB-OG 3.25Å; T70-S72 PolarHBondContact O-N 3.22Å; T70-S72 PolarHBondContact OG1-OG 3.45Å; T70-S72 VanDerWaalsContact OG1-OG 3.05Å; S72-L74 VanDerWaalsContact C-N 3.29Å; S72-L74 PolarHBondContact O-N 3.47Å
73	D	33.5	Very low	32.2	Very low	131 Å²	131	90 Å²	90	70%	0.701	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-85.9	-5.7	-173.8	-68.4	4.7	0	0	0	112.7	T70 L71 N75	T70-D73 PolarHBondContact O-N 2.94Å; L71-D73 VanDerWaalsContact C-N 3.28Å; L71-D73 PolarHBondContact O-N 3.45Å; D73-N75 PolarHBondContact O-N 3.27Å; D73-N75 VanDerWaalsContact O-N 3.14Å
74	L	35.5	Very low	32.5	Very low	21 Å²	21	88.7 Å²	88.7	11%	0.11	51%	0.51	C	S	.	.			trans	-73	99.3	163	-83.8	134.8	0	0	0	108.2	L71 S72 W76 I239	L71-L74 HydrophobicContact CD1-CD1 4.26Å; L71-L74 HydrophobicContact CG-CD1 4.12Å; S72-L74 VanDerWaalsContact C-N 3.29Å; S72-L74 PolarHBondContact O-N 3.47Å; L74-W76 HydrophobicContact CB-CD2 3.85Å; L74-W76 VanDerWaalsContact CB-CE2 3.49Å; L74-W76 HydrophobicContact CB-CE3 4.28Å; L74-W76 HydrophobicContact CB-CG 4.35Å; L74-W76 HydrophobicContact CB-CH2 4.17Å; L74-W76 HydrophobicContact CB-CZ2 3.7Å; L74-W76 HydrophobicContact CB-CZ3 4.4Å; L74-W76 HydrophobicContact CD1-CH2 3.7Å; L74-W76 HydrophobicContact CD1-CZ2 3.68Å; L74-W76 HydrophobicContact CD1-CZ3 4.41Å; L74-W76 HydrophobicContact CD2-CE3 4.35Å; L74-W76 HydrophobicContact CD2-CH2 4.15Å; L74-W76 HydrophobicContact CD2-CZ3 4.02Å; L74-W76 HydrophobicContact CG-CH2 4.21Å; L74-W76 HydrophobicContact CG-CZ2 4.16Å; L74-W76 PolarHBondContact O-N 3.43Å; L74-W76 PolarHBondContact O-NE1 2.93Å; L74-I239 HydrophobicContact CD1-CB 4.38Å; L74-I239 HydrophobicContact CD1-CD1 3.83Å; L74-I239 HydrophobicContact CD1-CG2 3.78Å; L74-I239 HydrophobicContact CD2-CD1 3.72Å; L74-I239 HydrophobicContact CG-CD1 3.52Å
75	N	30.1	Very low	32.9	Very low	121 Å²	121	92.9 Å²	92.9	65%	0.647	52%	0.521	S	S	*	.			trans	-63.4	89.3	157.4	-94.6	-30.3	0	0	0	108	D73 T77 Q78	D73-N75 PolarHBondContact O-N 3.27Å; D73-N75 VanDerWaalsContact O-N 3.14Å; N75-T77 PolarHBondContact O-N 2.9Å; N75-Q78 PolarHBondContact O-N 3.01Å
76	W	42.2	Very low	33.3	Very low	85 Å²	85	88.2 Å²	88.2	32%	0.322	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-3.6	-175.4	-66	106.5	0	0	0	114.9	L71 L74 H275	L71-W76 HydrophobicContact CD2-CH2 4.27Å; L71-W76 HydrophobicContact CD2-CZ2 3.68Å; L71-W76 HydrophobicContact CG-CH2 4.42Å; L71-W76 HydrophobicContact CG-CZ2 3.8Å; L74-W76 HydrophobicContact CB-CD2 3.85Å; L74-W76 VanDerWaalsContact CB-CE2 3.49Å; L74-W76 HydrophobicContact CB-CE3 4.28Å; L74-W76 HydrophobicContact CB-CG 4.35Å; L74-W76 HydrophobicContact CB-CH2 4.17Å; L74-W76 HydrophobicContact CB-CZ2 3.7Å; L74-W76 HydrophobicContact CB-CZ3 4.4Å; L74-W76 HydrophobicContact CD1-CH2 3.7Å; L74-W76 HydrophobicContact CD1-CZ2 3.68Å; L74-W76 HydrophobicContact CD1-CZ3 4.41Å; L74-W76 HydrophobicContact CD2-CE3 4.35Å; L74-W76 HydrophobicContact CD2-CH2 4.15Å; L74-W76 HydrophobicContact CD2-CZ3 4.02Å; L74-W76 HydrophobicContact CG-CH2 4.21Å; L74-W76 HydrophobicContact CG-CZ2 4.16Å; L74-W76 PolarHBondContact O-N 3.43Å; L74-W76 PolarHBondContact O-NE1 2.93Å; W76-H275 AromaticContact CH2-CE1 3.81Å; W76-H275 AromaticContact CZ3-CE1 3.35Å; W76-H275 WeakPolarHBondContact CZ3-CE1 3.21Å
77	T	32.4	Very low	33.7	Very low	129 Å²	129	87.2 Å²	87.2	79%	0.791	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-2.9	-178.6	56.7	0	0	0	0	114.4	N75	N75-T77 PolarHBondContact O-N 2.9Å
78	Q	33.7	Very low	34.1	Very low	155 Å²	155	84.7 Å²	84.7	72%	0.724	47%	0.472	S	S	*	.	S	Bend	trans	-113.2	-7.1	-173.4	-82	-179.2	-2.9	0	0	117	N75 S80	N75-Q78 PolarHBondContact O-N 3.01Å; Q78-S80 PolarHBondContact O-N 3.47Å; Q78-S80 VanDerWaalsContact O-N 3.16Å
79	S	31.7	Very low	34.1	Very low	71 Å²	71	89 Å²	89	50%	0.497	47%	0.472	S	S	.	.			trans	-88.4	81.3	171.8	64	0	0	0	0	111	S81	S79-S81 PolarHBondContact O-N 3.45Å
80	S	31.5	Very low	34.1	Very low	83 Å²	83	85.9 Å²	85.9	58%	0.58	46%	0.455	S	S	*	.			trans	-72.6	65.4	176.8	52.8	0	0	0	0	112.4	Q78	Q78-S80 PolarHBondContact O-N 3.47Å; Q78-S80 VanDerWaalsContact O-N 3.16Å
81	S	41.3	Very low	34.1	Very low	17 Å²	17	83.2 Å²	83.2	12%	0.119	44%	0.437	C	S	.	.			trans	-73.1	141	178.4	68.5	0	0	0	0	112.4	S79 Y83 S84 R85 E233	S79-S81 PolarHBondContact O-N 3.45Å; S81-Y83 PolarHBondContact O-N 3.41Å; S81-S84 CarbonylContact O-C 3.54Å; S81-S84 PolarHBondContact O-N 3.1Å; S81-S84 VanDerWaalsContact O-N 3.15Å; S81-S84 WeakPolarHBondContact OG-CA 3.36Å; S81-S84 WeakPolarHBondContact OG-CB 3.36Å; S81-S84 PolarHBondContact OG-N 3.01Å; S81-R85 WeakPolarHBondContact O-CB 3.26Å; S81-R85 PolarHBondContact O-N 2.96Å; S81-E233 WeakPolarHBondContact CA-OE1 3.36Å; S81-E233 WeakPolarHBondContact CA-OE2 3.47Å; S81-E233 VanDerWaalsContact CB-OE1 3.3Å; S81-E233 WeakPolarHBondContact CB-OE1 3.39Å; S81-E233 WeakPolarHBondContact CB-OE2 3.36Å
82	S	34.9	Very low	33.6	Very low	89 Å²	89	86 Å²	86	62%	0.622	46%	0.455	S	S	*	.	H	α-helix	trans	-61.5	-27.5	174.7	-174.4	0	0	0	0	110.7	E86 E233	S82-E86 VanDerWaalsContact O-CB 3.29Å; S82-E86 WeakPolarHBondContact O-CB 3.4Å; S82-E86 PolarHBondContact O-N 3.19Å; S82-E233 PolarHBondContact N-OE2 3.05Å
83	Y	31.8	Very low	33.4	Very low	75 Å²	75	89.7 Å²	89.7	29%	0.294	46%	0.463	S	S	.	.	H	α-helix	trans	-76.1	-41.6	173.7	-158	-88.6	0	0	0	112	S81 R85 E86 F87 F272 Q502	S81-Y83 PolarHBondContact O-N 3.41Å; Y83-R85 VanDerWaalsContact C-N 3.35Å; Y83-E86 PolarHBondContact O-N 2.83Å; Y83-F87 WeakPolarHBondContact O-CA 3.46Å; Y83-F87 WeakPolarHBondContact O-CB 3.29Å; Y83-F87 PolarHBondContact O-N 3.29Å; Y83-F272 HydrophobicContact CD1-CZ 4.48Å; Y83-F272 AromaticContact CE1-CZ 3.83Å; Y83-F272 HydrophobicContact CE1-CZ 3.83Å; Y83-Q502 PolarHBondContact OH-NE2 3.48Å
84	S	37	Very low	33.3	Very low	46 Å²	46	86.2 Å²	86.2	32%	0.322	45%	0.447	S	S	.	.	H	α-helix	trans	-63.4	-38.9	170.2	166.8	0	0	0	0	111	S81 C88	S81-S84 CarbonylContact O-C 3.54Å; S81-S84 PolarHBondContact O-N 3.1Å; S81-S84 VanDerWaalsContact O-N 3.15Å; S81-S84 WeakPolarHBondContact OG-CA 3.36Å; S81-S84 WeakPolarHBondContact OG-CB 3.36Å; S81-S84 PolarHBondContact OG-N 3.01Å; S84-C88 WeakPolarHBondContact O-CA 3.44Å; S84-C88 WeakPolarHBondContact O-CB 3.34Å; S84-C88 PolarHBondContact O-N 2.95Å; S84-C88 PolarHBondContact O-SG 3.11Å
85	R	34.7	Very low	33.3	Very low	157 Å²	157	86.6 Å²	86.6	59%	0.592	45%	0.449	S	S	*	.	H	α-helix	trans	-69.7	-36.6	176.3	-104.5	-179.7	178	158.4	0.3	112.8	S81 Y83 R89	S81-R85 WeakPolarHBondContact O-CB 3.26Å; S81-R85 PolarHBondContact O-N 2.96Å; Y83-R85 VanDerWaalsContact C-N 3.35Å; R85-R89 WeakPolarHBondContact O-CA 3.49Å; R85-R89 WeakPolarHBondContact O-CB 3.39Å; R85-R89 WeakPolarHBondContact O-CG 3.23Å; R85-R89 PolarHBondContact O-N 3.32Å
86	E	33.5	Very low	33.7	Very low	85 Å²	85	85.8 Å²	85.8	40%	0.397	45%	0.452	S	S	.	.	H	α-helix	trans	-79.3	-38.1	179	-151	69.8	179.1	0	0	111.1	S82 Y83 R89 L90	S82-E86 VanDerWaalsContact O-CB 3.29Å; S82-E86 WeakPolarHBondContact O-CB 3.4Å; S82-E86 PolarHBondContact O-N 3.19Å; Y83-E86 PolarHBondContact O-N 2.83Å; E86-R89 PolarHBondContact O-N 2.94Å; E86-R89 IonicContact OE2-NH1 3.35Å; E86-R89 PolarHBondContact OE2-NH1 3.47Å; E86-L90 VanDerWaalsContact O-CB 3.29Å; E86-L90 WeakPolarHBondContact O-CB 3.17Å; E86-L90 WeakPolarHBondContact O-CD1 3.35Å; E86-L90 WeakPolarHBondContact O-CG 3.38Å; E86-L90 PolarHBondContact O-N 3.46Å
87	F	35.2	Very low	33.7	Very low	83 Å²	83	83.6 Å²	83.6	36%	0.364	45%	0.45	S	S	.	.	H	α-helix	trans	-64.5	-47.8	169.1	-169.5	-92.5	0	0	0	110.4	Y83 R89 L90 F91	Y83-F87 WeakPolarHBondContact O-CA 3.46Å; Y83-F87 WeakPolarHBondContact O-CB 3.29Å; Y83-F87 PolarHBondContact O-N 3.29Å; F87-R89 VanDerWaalsContact C-N 3.33Å; F87-R89 PolarHBondContact O-N 3.27Å; F87-L90 CarbonylContact O-C 3.59Å; F87-L90 WeakPolarHBondContact O-CB 3.4Å; F87-L90 PolarHBondContact O-N 3.27Å; F87-F91 HydrophobicContact CE1-CD2 4.17Å; F87-F91 WeakPolarHBondContact O-CB 3.28Å; F87-F91 PolarHBondContact O-N 2.97Å
88	C	32.6	Very low	34.2	Very low	55 Å²	55	86.8 Å²	86.8	37%	0.372	45%	0.453	S	S	.	.	H	α-helix	trans	-64.2	-31.7	173.1	-69.8	0	0	0	0	112.6	S84 F91 T92	S84-C88 WeakPolarHBondContact O-CA 3.44Å; S84-C88 WeakPolarHBondContact O-CB 3.34Å; S84-C88 PolarHBondContact O-N 2.95Å; S84-C88 PolarHBondContact O-SG 3.11Å; C88-F91 CarbonylContact O-C 3.6Å; C88-F91 WeakPolarHBondContact O-CB 3.47Å; C88-F91 PolarHBondContact O-N 3.27Å; C88-T92 WeakPolarHBondContact O-CB 3.41Å; C88-T92 VanDerWaalsContact O-CG2 3.28Å; C88-T92 WeakPolarHBondContact O-CG2 3.48Å; C88-T92 PolarHBondContact O-N 2.89Å; C88-T92 PolarHBondContact O-OG1 3.44Å; C88-T92 VanDerWaalsContact O-OG1 3.04Å
89	R	30.2	Very low	34.5	Very low	144 Å²	144	83 Å²	83	54%	0.543	44%	0.443	S	S	.	.	H	α-helix	trans	-69.7	-42.5	172.1	-89.5	175.9	177.9	155.4	-3.2	111.4	R85 E86 F87 F91 T92 H93	R85-R89 WeakPolarHBondContact O-CA 3.49Å; R85-R89 WeakPolarHBondContact O-CB 3.39Å; R85-R89 WeakPolarHBondContact O-CG 3.23Å; R85-R89 PolarHBondContact O-N 3.32Å; E86-R89 PolarHBondContact O-N 2.94Å; E86-R89 IonicContact OE2-NH1 3.35Å; E86-R89 PolarHBondContact OE2-NH1 3.47Å; F87-R89 VanDerWaalsContact C-N 3.33Å; F87-R89 PolarHBondContact O-N 3.27Å; R89-F91 VanDerWaalsContact C-N 3.29Å; R89-T92 VanDerWaalsContact CA-OG1 3.31Å; R89-T92 WeakPolarHBondContact CA-OG1 3.33Å; R89-T92 PolarHBondContact O-N 3.39Å; R89-T92 PolarHBondContact O-OG1 3.5Å; R89-H93 WeakPolarHBondContact O-CB 3.42Å; R89-H93 PolarHBondContact O-N 3.36Å
90	L	30.7	Very low	35	Very low	61 Å²	61	82.5 Å²	82.5	32%	0.319	44%	0.435	S	S	.	.	H	α-helix	trans	-62.1	-41.3	172.3	-72.8	168.3	0	0	0	110.2	E86 F87 H93 T94 R713	E86-L90 VanDerWaalsContact O-CB 3.29Å; E86-L90 WeakPolarHBondContact O-CB 3.17Å; E86-L90 WeakPolarHBondContact O-CD1 3.35Å; E86-L90 WeakPolarHBondContact O-CG 3.38Å; E86-L90 PolarHBondContact O-N 3.46Å; F87-L90 CarbonylContact O-C 3.59Å; F87-L90 WeakPolarHBondContact O-CB 3.4Å; F87-L90 PolarHBondContact O-N 3.27Å; L90-H93 PolarHBondContact O-N 3.33Å; L90-T94 WeakPolarHBondContact O-CG2 3.14Å; L90-T94 PolarHBondContact O-N 2.94Å; L90-T94 PolarHBondContact O-OG1 3.41Å; L90-R713 HydrophobicContact CD2-CG 4.42Å
91	F	32.2	Very low	35.7	Very low	27 Å²	27	79.2 Å²	79.2	12%	0.118	41%	0.411	C	S	.	.	H	α-helix	trans	-62.9	-39.9	175.1	-162.8	-105	0	0	0	111.6	F87 C88 R89 T94 I95 H146 A280 H283	F87-F91 HydrophobicContact CE1-CD2 4.17Å; F87-F91 WeakPolarHBondContact O-CB 3.28Å; F87-F91 PolarHBondContact O-N 2.97Å; C88-F91 CarbonylContact O-C 3.6Å; C88-F91 WeakPolarHBondContact O-CB 3.47Å; C88-F91 PolarHBondContact O-N 3.27Å; R89-F91 VanDerWaalsContact C-N 3.29Å; F91-T94 PolarHBondContact O-OG1 3.33Å; F91-I95 HydrophobicContact CD1-CD1 4.31Å; F91-I95 HydrophobicContact CE1-CD1 4.42Å; F91-I95 HydrophobicContact CG-CD1 4.42Å; F91-I95 VanDerWaalsContact O-CB 3.31Å; F91-I95 WeakPolarHBondContact O-CB 3.26Å; F91-I95 VanDerWaalsContact O-CD1 3.32Å; F91-I95 WeakPolarHBondContact O-CD1 3.43Å; F91-I95 WeakPolarHBondContact O-CG1 3.27Å; F91-I95 PolarHBondContact O-N 2.94Å; F91-H146 AromaticContact CD2-NE2 3.97Å; F91-H146 AromaticContact CE2-CD2 3.94Å; F91-H146 AromaticContact CE2-NE2 3.95Å; F91-A280 HydrophobicContact CE2-CB 4.32Å; F91-H283 HydrophobicContact CE1-CB 4.12Å; F91-H283 AromaticContact CE1-CD2 3.16Å; F91-H283 WeakPolarHBondContact CE1-CD2 3.26Å; F91-H283 AromaticContact CE1-CG 3.63Å; F91-H283 AromaticContact CE1-NE2 3.52Å; F91-H283 HydrophobicContact CZ-CB 4.03Å; F91-H283 AromaticContact CZ-CD2 3.55Å; F91-H283 AromaticContact CZ-CG 3.97Å
92	T	27.8	Very low	35.9	Very low	91 Å²	91	84.9 Å²	84.9	56%	0.558	43%	0.433	S	S	*	.	H	α-helix	trans	-78	-27.1	174.4	53.5	0	0	0	0	113.9	C88 R89 I95	C88-T92 WeakPolarHBondContact O-CB 3.41Å; C88-T92 VanDerWaalsContact O-CG2 3.28Å; C88-T92 WeakPolarHBondContact O-CG2 3.48Å; C88-T92 PolarHBondContact O-N 2.89Å; C88-T92 PolarHBondContact O-OG1 3.44Å; C88-T92 VanDerWaalsContact O-OG1 3.04Å; R89-T92 VanDerWaalsContact CA-OG1 3.31Å; R89-T92 WeakPolarHBondContact CA-OG1 3.33Å; R89-T92 PolarHBondContact O-N 3.39Å; R89-T92 PolarHBondContact O-OG1 3.5Å; T92-I95 CarbonylContact O-C 3.57Å
93	H	28.6	Very low	36.5	Very low	158 Å²	158	84.6 Å²	84.6	73%	0.731	43%	0.428	S	S	*	.	H	α-helix	trans	-84.2	-29	179.6	-107.7	-67.7	0	0	0	112.9	R89 L90	R89-H93 WeakPolarHBondContact O-CB 3.42Å; R89-H93 PolarHBondContact O-N 3.36Å; L90-H93 PolarHBondContact O-N 3.33Å
94	T	31.5	Very low	37.2	Very low	58 Å²	58	83.4 Å²	83.4	36%	0.356	43%	0.425	S	S	.	.	H	α-helix	trans	-78	-26.2	171.3	50.7	0	0	0	0	112	L90 F91 S96 D100	L90-T94 WeakPolarHBondContact O-CG2 3.14Å; L90-T94 PolarHBondContact O-N 2.94Å; L90-T94 PolarHBondContact O-OG1 3.41Å; F91-T94 PolarHBondContact O-OG1 3.33Å; T94-S96 VanDerWaalsContact C-N 3.35Å; T94-S96 PolarHBondContact O-N 2.72Å; T94-D100 VanDerWaalsContact O-CB 3.3Å; T94-D100 WeakPolarHBondContact O-CB 3.31Å
95	I	34.8	Very low	37.7	Very low	29 Å²	29	82 Å²	82	15%	0.149	41%	0.414	C	S	.	.			trans	-99.8	59.6	175.9	-54.7	170	0	0	0	108.4	F91 T92 S97 M101	F91-I95 HydrophobicContact CD1-CD1 4.31Å; F91-I95 HydrophobicContact CE1-CD1 4.42Å; F91-I95 HydrophobicContact CG-CD1 4.42Å; F91-I95 VanDerWaalsContact O-CB 3.31Å; F91-I95 WeakPolarHBondContact O-CB 3.26Å; F91-I95 VanDerWaalsContact O-CD1 3.32Å; F91-I95 WeakPolarHBondContact O-CD1 3.43Å; F91-I95 WeakPolarHBondContact O-CG1 3.27Å; F91-I95 PolarHBondContact O-N 2.94Å; T92-I95 CarbonylContact O-C 3.57Å; I95-S97 VanDerWaalsContact C-N 3.33Å; I95-M101 HydrophobicContact CB-CG 4.37Å; I95-M101 HydrophobicContact CD1-CG 3.91Å; I95-M101 HydrophobicContact CD1-SD 3.99Å; I95-M101 HydrophobicContact CG1-CG 3.85Å; I95-M101 HydrophobicContact CG1-SD 4.42Å; I95-M101 HydrophobicContact CG2-CE 3.42Å; I95-M101 VanDerWaalsContact CG2-CE 3.42Å; I95-M101 HydrophobicContact CG2-CG 3.62Å; I95-M101 HydrophobicContact CG2-SD 3.67Å
96	S	38.9	Very low	38.4	Very low	104 Å²	104	77.3 Å²	77.3	73%	0.727	40%	0.4	S	S	*	.	S	Bend	trans	-85.7	-12.5	172.5	-166.5	0	0	0	0	111.9	T94	T94-S96 VanDerWaalsContact C-N 3.35Å; T94-S96 PolarHBondContact O-N 2.72Å
97	S	42.7	Very low	39.1	Very low	39 Å²	39	75.8 Å²	75.8	27%	0.273	40%	0.398	S	S	.	.	S	Bend	trans	-139	151.2	-176.8	77.5	0	0	0	0	112.4	I95 S99 D100	I95-S97 VanDerWaalsContact C-N 3.33Å; S97-S99 WeakPolarHBondContact CB-OG 3.48Å; S97-S99 PolarHBondContact O-N 2.7Å; S97-S99 PolarHBondContact OG-N 3.14Å; S97-S99 PolarHBondContact OG-OG 2.92Å; S97-D100 PolarHBondContact N-OD2 3.28Å; S97-D100 PolarHBondContact O-N 2.92Å; S97-D100 PolarHBondContact OG-N 2.79Å; S97-D100 PolarHBondContact OG-OD1 3.45Å; S97-D100 PolarHBondContact OG-OD2 3.12Å
98	K	42.5	Very low	39.8	Very low	195 Å²	195	72.2 Å²	72.2	85%	0.848	38%	0.384	S	S	*	.	H	α-helix	trans	-60.2	-20.8	170.5	-77.6	-178.6	176.7	178.6	0	112.5	K102	K98-K102 PolarHBondContact O-N 3.09Å
99	S	40	Very low	40.5	Very low	75 Å²	75	73.9 Å²	73.9	52%	0.524	38%	0.382	S	S	.	.	H	α-helix	trans	-71.1	-41.1	177	25.7	0	0	0	0	113	S97 M101 K102 T103	S97-S99 WeakPolarHBondContact CB-OG 3.48Å; S97-S99 PolarHBondContact O-N 2.7Å; S97-S99 PolarHBondContact OG-N 3.14Å; S97-S99 PolarHBondContact OG-OG 2.92Å; S99-M101 PolarHBondContact O-N 3.07Å; S99-K102 WeakPolarHBondContact O-CB 3.31Å; S99-K102 PolarHBondContact O-N 3.14Å; S99-K102 VanDerWaalsContact O-N 3.07Å; S99-T103 PolarHBondContact O-N 3.43Å; S99-T103 VanDerWaalsContact O-N 3.08Å; S99-T103 PolarHBondContact O-OG1 3.04Å; S99-T103 VanDerWaalsContact O-OG1 3.1Å
100	D	42.5	Very low	41.4	Very low	61 Å²	61	71.2 Å²	71.2	33%	0.326	38%	0.379	S	S	.	.	H	α-helix	trans	-66.7	-38.2	-174.4	-57.5	-39.8	0	0	0	112	T94 S97 T103 E104	T94-D100 VanDerWaalsContact O-CB 3.3Å; T94-D100 WeakPolarHBondContact O-CB 3.31Å; S97-D100 PolarHBondContact N-OD2 3.28Å; S97-D100 PolarHBondContact O-N 2.92Å; S97-D100 PolarHBondContact OG-N 2.79Å; S97-D100 PolarHBondContact OG-OD1 3.45Å; S97-D100 PolarHBondContact OG-OD2 3.12Å; D100-T103 VanDerWaalsContact C-OG1 3.22Å; D100-T103 VanDerWaalsContact CA-OG1 3.31Å; D100-T103 WeakPolarHBondContact CA-OG1 3.49Å; D100-T103 PolarHBondContact O-N 3.27Å; D100-T103 PolarHBondContact O-OG1 3.13Å; D100-E104 PolarHBondContact O-N 2.95Å
101	M	46.3	Very low	42.2	Very low	14 Å²	14	70.7 Å²	70.7	7%	0.069	38%	0.376	C	S	.	.	H	α-helix	trans	-72.3	-29.1	172.6	-85.1	-166.9	-64.5	0	0	113.5	I95 S99 T103 E104 I105 M287 I289	I95-M101 HydrophobicContact CB-CG 4.37Å; I95-M101 HydrophobicContact CD1-CG 3.91Å; I95-M101 HydrophobicContact CD1-SD 3.99Å; I95-M101 HydrophobicContact CG1-CG 3.85Å; I95-M101 HydrophobicContact CG1-SD 4.42Å; I95-M101 HydrophobicContact CG2-CE 3.42Å; I95-M101 VanDerWaalsContact CG2-CE 3.42Å; I95-M101 HydrophobicContact CG2-CG 3.62Å; I95-M101 HydrophobicContact CG2-SD 3.67Å; S99-M101 PolarHBondContact O-N 3.07Å; M101-T103 VanDerWaalsContact C-N 3.31Å; M101-E104 PolarHBondContact O-N 3.48Å; M101-I105 WeakPolarHBondContact O-CG1 3.46Å; M101-I105 PolarHBondContact O-N 3.11Å; M101-M287 HydrophobicContact CE-CE 3.55Å; M101-M287 HydrophobicContact CE-SD 3.46Å; M101-M287 WeakPolarHBondContact CE-SD 3.27Å; M101-M287 HydrophobicContact SD-CE 3.8Å; M101-M287 HydrophobicContact SD-SD 3.23Å; M101-I289 HydrophobicContact CB-CD1 4.45Å; M101-I289 HydrophobicContact CE-CD1 3.43Å; M101-I289 VanDerWaalsContact CE-CD1 3.43Å; M101-I289 HydrophobicContact SD-CD1 3.87Å
102	K	44.5	Very low	42.9	Very low	136 Å²	136	69.8 Å²	69.8	59%	0.591	37%	0.372	S	S	*	.	H	α-helix	trans	-64.5	-41.3	174.2	-162	176	-178.8	-177.3	0	109.8	K98 S99 E104 I105 D106	K98-K102 PolarHBondContact O-N 3.09Å; S99-K102 WeakPolarHBondContact O-CB 3.31Å; S99-K102 PolarHBondContact O-N 3.14Å; S99-K102 VanDerWaalsContact O-N 3.07Å; K102-E104 VanDerWaalsContact C-N 3.31Å; K102-E104 PolarHBondContact O-N 3.11Å; K102-I105 PolarHBondContact O-N 3.48Å; K102-D106 WeakPolarHBondContact O-CB 3.41Å; K102-D106 PolarHBondContact O-N 3.37Å
103	T	48.2	Very low	43.4	Very low	83 Å²	83	69 Å²	69	51%	0.509	37%	0.365	S	S	.	.	H	α-helix	trans	-62.1	-32.6	171.5	25.6	0	0	0	0	113.9	S99 D100 M101 D106 C107	S99-T103 PolarHBondContact O-N 3.43Å; S99-T103 VanDerWaalsContact O-N 3.08Å; S99-T103 PolarHBondContact O-OG1 3.04Å; S99-T103 VanDerWaalsContact O-OG1 3.1Å; D100-T103 VanDerWaalsContact C-OG1 3.22Å; D100-T103 VanDerWaalsContact CA-OG1 3.31Å; D100-T103 WeakPolarHBondContact CA-OG1 3.49Å; D100-T103 PolarHBondContact O-N 3.27Å; D100-T103 PolarHBondContact O-OG1 3.13Å; M101-T103 VanDerWaalsContact C-N 3.31Å; T103-D106 CarbonylContact O-C 3.56Å; T103-C107 PolarHBondContact O-N 3.38Å; T103-C107 PolarHBondContact O-SG 2.86Å
104	E	46.6	Very low	43.8	Very low	50 Å²	50	64.6 Å²	64.6	23%	0.234	35%	0.346	C	S	.	.	H	α-helix	trans	-77.7	-41.3	177.1	-71.6	177.1	-173.9	0	0	112.9	D100 M101 K102 D106 C107 V108 H146	D100-E104 PolarHBondContact O-N 2.95Å; M101-E104 PolarHBondContact O-N 3.48Å; K102-E104 VanDerWaalsContact C-N 3.31Å; K102-E104 PolarHBondContact O-N 3.11Å; E104-D106 PolarHBondContact O-N 3Å; E104-C107 WeakPolarHBondContact O-CA 3.05Å; E104-C107 VanDerWaalsContact O-CB 3.28Å; E104-C107 WeakPolarHBondContact O-CB 3.36Å; E104-C107 PolarHBondContact O-N 3.42Å; E104-V108 WeakPolarHBondContact O-CG2 3.26Å; E104-V108 PolarHBondContact O-N 2.91Å; E104-H146 VanDerWaalsContact CD-ND1 3.3Å; E104-H146 IonicContact OE1-CE1 3.45Å; E104-H146 PolarHBondContact OE1-CE1 3.38Å; E104-H146 IonicContact OE1-ND1 3.69Å; E104-H146 IonicContact OE2-CE1 2.79Å; E104-H146 PolarHBondContact OE2-CE1 3.48Å; E104-H146 IonicContact OE2-CG 3.61Å; E104-H146 IonicContact OE2-ND1 3Å; E104-H146 PolarHBondContact OE2-ND1 2.93Å
105	I	48.6	Very low	43.7	Very low	18 Å²	18	69.4 Å²	69.4	9%	0.092	36%	0.364	C	S	.	.	H	α-helix	trans	-64.5	-34.8	170.2	-68.4	168.8	0	0	0	109.6	M101 K102 C107 V108 R109 V284 I289	M101-I105 WeakPolarHBondContact O-CG1 3.46Å; M101-I105 PolarHBondContact O-N 3.11Å; K102-I105 PolarHBondContact O-N 3.48Å; I105-C107 VanDerWaalsContact C-N 3.34Å; I105-V108 CarbonylContact O-C 3.52Å; I105-V108 WeakPolarHBondContact O-CB 3.31Å; I105-V108 PolarHBondContact O-N 3.24Å; I105-R109 WeakPolarHBondContact O-CB 3.49Å; I105-R109 PolarHBondContact O-N 3.42Å; I105-V284 HydrophobicContact CD1-CG1 4.16Å; I105-V284 HydrophobicContact CG1-CG1 4.43Å; I105-I289 HydrophobicContact CD1-CB 3.56Å; I105-I289 HydrophobicContact CD1-CG2 3.26Å
106	D	49	Very low	43.3	Very low	57 Å²	57	73.8 Å²	73.8	31%	0.305	40%	0.395	S	S	.	.	H	α-helix	trans	-67.8	-31.8	170.3	-71.7	-25.4	0	0	0	111.6	K102 T103 E104 R109 N110	K102-D106 WeakPolarHBondContact O-CB 3.41Å; K102-D106 PolarHBondContact O-N 3.37Å; T103-D106 CarbonylContact O-C 3.56Å; E104-D106 PolarHBondContact O-N 3Å; D106-R109 CarbonylContact O-C 3.5Å; D106-R109 WeakPolarHBondContact O-CB 3.45Å; D106-R109 PolarHBondContact O-N 3.26Å; D106-N110 WeakPolarHBondContact O-CB 3.39Å; D106-N110 PolarHBondContact O-N 3.45Å; D106-N110 PolarHBondContact O-ND2 2.72Å
107	C	48.5	Very low	42.7	Very low	53 Å²	53	75.1 Å²	75.1	36%	0.358	39%	0.393	S	S	.	.	H	α-helix	trans	-64.9	-45.4	169.2	-74.7	0	0	0	0	110.9	T103 E104 I105 R109 N110 L111	T103-C107 PolarHBondContact O-N 3.38Å; T103-C107 PolarHBondContact O-SG 2.86Å; E104-C107 WeakPolarHBondContact O-CA 3.05Å; E104-C107 VanDerWaalsContact O-CB 3.28Å; E104-C107 WeakPolarHBondContact O-CB 3.36Å; E104-C107 PolarHBondContact O-N 3.42Å; I105-C107 VanDerWaalsContact C-N 3.34Å; C107-R109 VanDerWaalsContact C-N 3.3Å; C107-R109 PolarHBondContact O-N 3.34Å; C107-N110 CarbonylContact O-C 3.51Å; C107-N110 PolarHBondContact O-N 3.21Å; C107-N110 VanDerWaalsContact O-N 3.16Å; C107-L111 VanDerWaalsContact O-CB 3.25Å; C107-L111 WeakPolarHBondContact O-CB 3.48Å; C107-L111 WeakPolarHBondContact O-CD1 3.33Å; C107-L111 PolarHBondContact O-N 2.91Å
108	V	48.9	Very low	42	Very low	9 Å²	9	77.7 Å²	77.7	6%	0.055	41%	0.407	C	S	.	.	H	α-helix	trans	-61.6	-40.3	172.5	178.4	0	0	0	0	110.6	E104 I105 N110 L111 I112 F147 L294 L298	E104-V108 WeakPolarHBondContact O-CG2 3.26Å; E104-V108 PolarHBondContact O-N 2.91Å; I105-V108 CarbonylContact O-C 3.52Å; I105-V108 WeakPolarHBondContact O-CB 3.31Å; I105-V108 PolarHBondContact O-N 3.24Å; V108-N110 VanDerWaalsContact C-N 3.35Å; V108-L111 CarbonylContact O-C 3.43Å; V108-L111 WeakPolarHBondContact O-CA 3.47Å; V108-L111 WeakPolarHBondContact O-CB 3.48Å; V108-L111 PolarHBondContact O-N 3.48Å; V108-I112 HydrophobicContact CG1-CD1 3.32Å; V108-I112 HydrophobicContact CG1-CG1 3.94Å; V108-I112 WeakPolarHBondContact O-CA 3.41Å; V108-I112 WeakPolarHBondContact O-CB 3.48Å; V108-I112 WeakPolarHBondContact O-CG1 3.44Å; V108-I112 PolarHBondContact O-N 3.32Å; V108-F147 HydrophobicContact CG2-CD2 3.12Å; V108-F147 HydrophobicContact CG2-CE2 3.22Å; V108-F147 HydrophobicContact CG2-CG 4.07Å; V108-F147 HydrophobicContact CG2-CZ 4.22Å; V108-L294 HydrophobicContact CG1-CD2 4.29Å; V108-L298 HydrophobicContact CG1-CD1 4.06Å; V108-L298 HydrophobicContact CG1-CD2 4.2Å
109	R	47.4	Very low	41.3	Very low	89 Å²	89	74.6 Å²	74.6	34%	0.336	41%	0.407	S	S	.	.	H	α-helix	trans	-65	-38.3	173.2	-120	-161.8	172.8	121.2	0.8	111.6	I105 D106 C107 L111 I112 N113	I105-R109 WeakPolarHBondContact O-CB 3.49Å; I105-R109 PolarHBondContact O-N 3.42Å; D106-R109 CarbonylContact O-C 3.5Å; D106-R109 WeakPolarHBondContact O-CB 3.45Å; D106-R109 PolarHBondContact O-N 3.26Å; C107-R109 VanDerWaalsContact C-N 3.3Å; C107-R109 PolarHBondContact O-N 3.34Å; R109-L111 PolarHBondContact O-N 2.99Å; R109-I112 PolarHBondContact O-N 3.26Å; R109-N113 WeakPolarHBondContact CD-ND2 3.33Å; R109-N113 WeakPolarHBondContact CG-ND2 3.05Å; R109-N113 PolarHBondContact NE-ND2 2.98Å; R109-N113 WeakPolarHBondContact O-CA 3.18Å; R109-N113 WeakPolarHBondContact O-CB 3.37Å; R109-N113 PolarHBondContact O-N 3.24Å; R109-N113 PolarHBondContact O-ND2 2.97Å
110	N	48.3	Very low	40.7	Very low	88 Å²	88	77.9 Å²	77.9	47%	0.471	42%	0.417	S	S	.	.	H	α-helix	trans	-73.4	-24	176.5	-71.7	-32.4	0	0	0	111.2	D106 C107 V108	D106-N110 WeakPolarHBondContact O-CB 3.39Å; D106-N110 PolarHBondContact O-N 3.45Å; D106-N110 PolarHBondContact O-ND2 2.72Å; C107-N110 CarbonylContact O-C 3.51Å; C107-N110 PolarHBondContact O-N 3.21Å; C107-N110 VanDerWaalsContact O-N 3.16Å; V108-N110 VanDerWaalsContact C-N 3.35Å
111	L	47.6	Very low	40.1	Very low	50 Å²	50	79.9 Å²	79.9	26%	0.262	43%	0.432	S	S	.	.	H	α-helix	trans	-82.4	-33.3	171.6	-92.4	144.4	0	0	0	112.8	C107 V108 R109 L133	C107-L111 VanDerWaalsContact O-CB 3.25Å; C107-L111 WeakPolarHBondContact O-CB 3.48Å; C107-L111 WeakPolarHBondContact O-CD1 3.33Å; C107-L111 PolarHBondContact O-N 2.91Å; V108-L111 CarbonylContact O-C 3.43Å; V108-L111 WeakPolarHBondContact O-CA 3.47Å; V108-L111 WeakPolarHBondContact O-CB 3.48Å; V108-L111 PolarHBondContact O-N 3.48Å; R109-L111 PolarHBondContact O-N 2.99Å; L111-L133 HydrophobicContact CD2-CD1 3.47Å; L111-L133 VanDerWaalsContact CD2-CD1 3.47Å; L111-L133 HydrophobicContact CD2-CD2 4.47Å
112	I	46.8	Very low	39.1	Very low	9 Å²	9	85.6 Å²	85.6	5%	0.046	46%	0.462	C	S	.	.	H	α-helix	trans	-112.2	-26.3	-168.2	-61.7	-176	0	0	0	113.7	V108 R109 L114 V163 L294 L298	V108-I112 HydrophobicContact CG1-CD1 3.32Å; V108-I112 HydrophobicContact CG1-CG1 3.94Å; V108-I112 WeakPolarHBondContact O-CA 3.41Å; V108-I112 WeakPolarHBondContact O-CB 3.48Å; V108-I112 WeakPolarHBondContact O-CG1 3.44Å; V108-I112 PolarHBondContact O-N 3.32Å; R109-I112 PolarHBondContact O-N 3.26Å; I112-L114 PolarHBondContact O-N 3.33Å; I112-V163 HydrophobicContact CG2-CG1 4.37Å; I112-L294 HydrophobicContact CB-CD1 4.06Å; I112-L294 HydrophobicContact CD1-CD1 4.16Å; I112-L294 HydrophobicContact CG2-CD1 3.43Å; I112-L294 VanDerWaalsContact CG2-CD1 3.43Å; I112-L298 HydrophobicContact CD1-CD2 3.29Å; I112-L298 HydrophobicContact CD1-CG 4.03Å
113	N	38.8	Very low	38.4	Very low	75 Å²	75	87.8 Å²	87.8	40%	0.401	48%	0.478	S	S	.	.			trans	-68.7	79	172.2	-72.3	-24	0	0	0	109.6	R109 Q115	R109-N113 WeakPolarHBondContact CD-ND2 3.33Å; R109-N113 WeakPolarHBondContact CG-ND2 3.05Å; R109-N113 PolarHBondContact NE-ND2 2.98Å; R109-N113 WeakPolarHBondContact O-CA 3.18Å; R109-N113 WeakPolarHBondContact O-CB 3.37Å; R109-N113 PolarHBondContact O-N 3.24Å; R109-N113 PolarHBondContact O-ND2 2.97Å; N113-Q115 PolarHBondContact O-N 3.47Å
114	L	36.5	Very low	37.8	Very low	65 Å²	65	87 Å²	87	34%	0.34	48%	0.477	S	S	.	.				-54.3	110.1	129.5	-61.3	-164.1	0	0	0	106.9	I112 L129 V163	I112-L114 PolarHBondContact O-N 3.33Å; L114-L129 HydrophobicContact CD2-CD1 4.06Å; L114-V163 HydrophobicContact CD1-CB 3.41Å; L114-V163 VanDerWaalsContact CD1-CB 3.41Å; L114-V163 HydrophobicContact CD1-CG2 3.46Å; L114-V163 VanDerWaalsContact CD1-CG2 3.46Å; L114-V163 HydrophobicContact CD2-CG2 4.26Å; L114-V163 HydrophobicContact CG-CB 3.82Å; L114-V163 HydrophobicContact CG-CG2 3.43Å; L114-V163 VanDerWaalsContact CG-CG2 3.43Å
115	Q	29.4	Very low	37.2	Very low	158 Å²	158	89.6 Å²	89.6	74%	0.738	49%	0.492	S	S	*	.			trans	-58.5	138	163	-73.5	-156.6	-38.4	0	0	108.4	N113 I117	N113-Q115 PolarHBondContact O-N 3.47Å; Q115-I117 PolarHBondContact O-N 3.38Å
116	P	26.9	Very low	36.7	Very low	122 Å²	122	93 Å²	93	79%	0.792	52%	0.517	S	S	*	.			trans	-62.8	109.5	153.7	10	2.4	0	0	0	105.5	T118	P116-T118 PolarHBondContact O-N 3.29Å
117	I	27	Very low	36.9	Very low	132 Å²	132	93.7 Å²	93.7	68%	0.677	53%	0.527	S	S	*	.			trans	-53.3	110.4	174.3	-65.7	163.8	0	0	0	106.8	Q115	Q115-I117 PolarHBondContact O-N 3.38Å
118	T	28.5	Very low	37.5	Very low	92 Å²	92	94.5 Å²	94.5	56%	0.564	53%	0.53	S	S	*	.			trans	-54.7	139.7	154	44.1	0	0	0	0	106.7	P116 I120	P116-T118 PolarHBondContact O-N 3.29Å; T118-I120 PolarHBondContact O-N 3.37Å
119	P	26.9	Very low	38.3	Very low	131 Å²	131	96.9 Å²	96.9	85%	0.851	54%	0.542	S	S	*	.	S	Bend	trans	-71.6	28.2	-166.3	28.8	-34.8	0	0	0	114.6
120	I	28.2	Very low	39.7	Very low	143 Å²	143	95.6 Å²	95.6	73%	0.733	54%	0.539	S	S	*	.	S	Bend	trans	-147.9	76.1	-177.5	-46.7	173.4	0	0	0	107.1	T118	T118-I120 PolarHBondContact O-N 3.37Å
121	T	28.6	Very low	41.1	Very low	104 Å²	104	94.3 Å²	94.3	64%	0.638	54%	0.537	S	S	*	.	S	Bend	trans	170.9	102.1	150.1	33	0	0	0	0	111.5
122	N	25.4	Very low	42.7	Very low	134 Å²	134	97.9 Å²	97.9	72%	0.717	55%	0.547	S	S	*	.			trans	41.7	114.6	152.5	-68.5	-13.7	0	0	0	121.1	S124	N122-S124 PolarHBondContact O-N 3.24Å
123	I	31.2	Very low	44.5	Very low	181 Å²	181	98.3 Å²	98.3	93%	0.928	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	23.1	174.2	-69.5	154.6	0	0	0	114.2
124	S	35.1	Very low	46.8	Very low	68 Å²	68	96.3 Å²	96.3	48%	0.476	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	1.4	-170.3	54	0	0	0	0	116.8	N122 S127	N122-S124 PolarHBondContact O-N 3.24Å; S124-S127 PolarHBondContact O-OG 3.35Å
125	N	34	Very low	49.2	Very low	104 Å²	104	96.7 Å²	96.7	56%	0.556	54%	0.541	S	S	*	.			trans	-91.2	-8.4	-167.2	-78.6	-12.4	0	0	0	117.1	S127 T128	N125-S127 VanDerWaalsContact C-N 3.33Å; N125-S127 PolarHBondContact O-N 3.37Å; N125-T128 PolarHBondContact O-N 2.84Å; N125-T128 PolarHBondContact O-OG1 3.31Å
126	S	38.2	Very low	51.9	Low	88 Å²	88	93.5 Å²	93.5	62%	0.615	52%	0.522	S	S	*	.	H	α-helix	trans	-70.1	-30	179.9	60	0	0	0	0	113
127	S	52.1	Low	54.9	Low	73 Å²	73	87.7 Å²	87.7	51%	0.51	49%	0.485	S	S	.	.	H	α-helix	trans	-71.2	-31.1	178.8	65.3	0	0	0	0	112.7	S124 N125 S131	S124-S127 PolarHBondContact O-OG 3.35Å; N125-S127 VanDerWaalsContact C-N 3.33Å; N125-S127 PolarHBondContact O-N 3.37Å; S127-S131 WeakPolarHBondContact O-CB 3.31Å; S127-S131 PolarHBondContact O-N 2.89Å; S127-S131 VanDerWaalsContact O-N 3.14Å; S127-S131 PolarHBondContact O-OG 2.94Å
128	T	61.9	Low	58	Low	69 Å²	69	81.4 Å²	81.4	42%	0.423	45%	0.453	S	S	.	.	H	α-helix	trans	-76.2	-39.2	-175.5	63.3	0	0	0	0	111.8	N125 S131 R132	N125-T128 PolarHBondContact O-N 2.84Å; N125-T128 PolarHBondContact O-OG1 3.31Å; T128-S131 PolarHBondContact O-N 2.98Å; T128-R132 VanDerWaalsContact O-CG 3.3Å; T128-R132 WeakPolarHBondContact O-CG 3.49Å; T128-R132 PolarHBondContact O-N 3.01Å
129	L	65.4	Low	60.8	Low	59 Å²	59	81.4 Å²	81.4	31%	0.309	45%	0.446	S	S	.	.	H	α-helix	trans	-63.7	-47.4	176.4	-73.5	171.1	0	0	0	112.1	L114 S131 R132 L133	L114-L129 HydrophobicContact CD2-CD1 4.06Å; L129-S131 VanDerWaalsContact C-N 3.33Å; L129-S131 PolarHBondContact O-N 2.94Å; L129-R132 WeakPolarHBondContact O-CB 3.46Å; L129-R132 PolarHBondContact O-N 3.38Å; L129-L133 PolarHBondContact O-N 3.48Å
130	F	77.2	Confident	63.7	Low	62 Å²	62	75.6 Å²	75.6	27%	0.272	41%	0.41	S	S	.	.	H	α-helix	trans	-62.4	-41.8	177.4	-170.5	-110	0	0	0	111.4	R132 L133 I134 I154 F155	F130-R132 VanDerWaalsContact C-N 3.33Å; F130-R132 PolarHBondContact O-N 3.3Å; F130-L133 PolarHBondContact O-N 2.89Å; F130-I134 HydrophobicContact CD1-CD1 3.65Å; F130-I134 HydrophobicContact CD1-CG1 4.37Å; F130-I134 HydrophobicContact CE1-CD1 3.43Å; F130-I134 VanDerWaalsContact CE1-CD1 3.43Å; F130-I134 HydrophobicContact CE1-CG1 4.19Å; F130-I134 HydrophobicContact CZ-CD1 4.11Å; F130-I134 HydrophobicContact CZ-CG1 4.46Å; F130-I134 WeakPolarHBondContact O-CG1 3.43Å; F130-I134 PolarHBondContact O-N 3.46Å; F130-I154 HydrophobicContact CD2-CG2 4.27Å; F130-I154 HydrophobicContact CE2-CG2 4.17Å; F130-F155 HydrophobicContact CE2-CD1 4.02Å; F130-F155 HydrophobicContact CE2-CE1 4.45Å; F130-F155 HydrophobicContact CZ-CD1 4.4Å
131	S	78.2	Confident	66.5	Low	61 Å²	61	72.4 Å²	72.4	43%	0.427	39%	0.392	S	S	.	.	H	α-helix	trans	-61.6	-39.5	175.5	-59.1	0	0	0	0	112.6	S127 T128 L129 I134 N135	S127-S131 WeakPolarHBondContact O-CB 3.31Å; S127-S131 PolarHBondContact O-N 2.89Å; S127-S131 VanDerWaalsContact O-N 3.14Å; S127-S131 PolarHBondContact O-OG 2.94Å; T128-S131 PolarHBondContact O-N 2.98Å; L129-S131 VanDerWaalsContact C-N 3.33Å; L129-S131 PolarHBondContact O-N 2.94Å; S131-I134 PolarHBondContact O-N 2.85Å; S131-N135 PolarHBondContact O-N 3.09Å; S131-N135 PolarHBondContact O-ND2 3.4Å
132	R	81	Confident	69.2	Low	126 Å²	126	67.6 Å²	67.6	48%	0.475	36%	0.362	S	S	.	.	H	α-helix	trans	-62.9	-45.8	173.3	-73.7	172.7	66.8	176.4	1.5	111.2	T128 L129 F130 I134 N135 Y136	T128-R132 VanDerWaalsContact O-CG 3.3Å; T128-R132 WeakPolarHBondContact O-CG 3.49Å; T128-R132 PolarHBondContact O-N 3.01Å; L129-R132 WeakPolarHBondContact O-CB 3.46Å; L129-R132 PolarHBondContact O-N 3.38Å; F130-R132 VanDerWaalsContact C-N 3.33Å; F130-R132 PolarHBondContact O-N 3.3Å; R132-I134 VanDerWaalsContact C-N 3.32Å; R132-I134 PolarHBondContact O-N 3.44Å; R132-N135 WeakPolarHBondContact O-CB 3.39Å; R132-N135 PolarHBondContact O-N 3.03Å; R132-N135 VanDerWaalsContact O-N 3.11Å; R132-Y136 VanDerWaalsContact O-CD2 3.28Å; R132-Y136 WeakPolarHBondContact O-CD2 3.23Å; R132-Y136 PolarHBondContact O-N 3.5Å
133	L	84.6	Confident	72.1	Confident	18 Å²	18	66 Å²	66	9%	0.094	35%	0.346	C	S	.	.	H	α-helix	trans	-61.5	-40.9	179.1	-173.7	58.8	0	0	0	111.9	L111 L129 F130 N135 Y136 A137 C151 I154 F155	L111-L133 HydrophobicContact CD2-CD1 3.47Å; L111-L133 VanDerWaalsContact CD2-CD1 3.47Å; L111-L133 HydrophobicContact CD2-CD2 4.47Å; L129-L133 PolarHBondContact O-N 3.48Å; F130-L133 PolarHBondContact O-N 2.89Å; L133-N135 VanDerWaalsContact C-N 3.34Å; L133-N135 PolarHBondContact O-N 2.91Å; L133-Y136 WeakPolarHBondContact O-CB 3.4Å; L133-Y136 PolarHBondContact O-N 3.21Å; L133-A137 PolarHBondContact O-N 2.96Å; L133-A137 VanDerWaalsContact O-N 3.08Å; L133-C151 HydrophobicContact CD1-CB 4.26Å; L133-I154 HydrophobicContact CD2-CB 4.4Å; L133-I154 HydrophobicContact CD2-CD1 4.16Å; L133-I154 HydrophobicContact CD2-CG2 4.12Å; L133-F155 HydrophobicContact CB-CE1 4.26Å; L133-F155 HydrophobicContact CB-CZ 4.48Å; L133-F155 HydrophobicContact CD1-CZ 4.28Å; L133-F155 HydrophobicContact CD2-CD1 4.29Å; L133-F155 HydrophobicContact CD2-CE1 3.67Å; L133-F155 HydrophobicContact CD2-CZ 4Å; L133-F155 HydrophobicContact CG-CE1 3.55Å; L133-F155 HydrophobicContact CG-CZ 3.55Å
134	I	87.3	Confident	74.4	Confident	32 Å²	32	61.8 Å²	61.8	16%	0.164	33%	0.329	C	S	.	.	H	α-helix	trans	-58.7	-46.3	172.3	-69.5	173.1	0	0	0	110.8	F130 S131 R132 Y136 A137 I138 F155 A513	F130-I134 HydrophobicContact CD1-CD1 3.65Å; F130-I134 HydrophobicContact CD1-CG1 4.37Å; F130-I134 HydrophobicContact CE1-CD1 3.43Å; F130-I134 VanDerWaalsContact CE1-CD1 3.43Å; F130-I134 HydrophobicContact CE1-CG1 4.19Å; F130-I134 HydrophobicContact CZ-CD1 4.11Å; F130-I134 HydrophobicContact CZ-CG1 4.46Å; F130-I134 WeakPolarHBondContact O-CG1 3.43Å; F130-I134 PolarHBondContact O-N 3.46Å; S131-I134 PolarHBondContact O-N 2.85Å; R132-I134 VanDerWaalsContact C-N 3.32Å; R132-I134 PolarHBondContact O-N 3.44Å; I134-Y136 VanDerWaalsContact C-N 3.3Å; I134-Y136 PolarHBondContact O-N 3.16Å; I134-A137 WeakPolarHBondContact O-CB 3.24Å; I134-A137 PolarHBondContact O-N 3.02Å; I134-A137 VanDerWaalsContact O-N 3.13Å; I134-I138 HydrophobicContact CG2-CD1 3.63Å; I134-I138 HydrophobicContact CG2-CG1 4.26Å; I134-I138 WeakPolarHBondContact O-CG1 3.48Å; I134-I138 PolarHBondContact O-N 3.25Å; I134-F155 HydrophobicContact CG1-CE1 4.21Å; I134-A513 WeakPolarHBondContact CD1-O 3.3Å; I134-A513 HydrophobicContact CG1-CB 4.25Å; I134-A513 WeakPolarHBondContact CG1-O 3.11Å; I134-A513 HydrophobicContact CG2-CB 4.43Å
135	N	87	Confident	76.4	Confident	73 Å²	73	59.9 Å²	59.9	39%	0.39	32%	0.315	S	S	.	.	H	α-helix	trans	-61.2	-39	177.6	-74.5	-31.6	0	0	0	111.8	S131 R132 L133 A137 I138 H139	S131-N135 PolarHBondContact O-N 3.09Å; S131-N135 PolarHBondContact O-ND2 3.4Å; R132-N135 WeakPolarHBondContact O-CB 3.39Å; R132-N135 PolarHBondContact O-N 3.03Å; R132-N135 VanDerWaalsContact O-N 3.11Å; L133-N135 VanDerWaalsContact C-N 3.34Å; L133-N135 PolarHBondContact O-N 2.91Å; N135-A137 VanDerWaalsContact C-N 3.31Å; N135-A137 PolarHBondContact O-N 3.33Å; N135-I138 PolarHBondContact O-N 3.08Å; N135-H139 WeakPolarHBondContact O-CB 3.4Å; N135-H139 PolarHBondContact O-N 3.32Å; N135-H139 PolarHBondContact O-ND1 2.71Å
136	Y	85.2	Confident	78.3	Confident	91 Å²	91	56.4 Å²	56.4	36%	0.357	30%	0.296	S	S	.	.	H	α-helix	trans	-61.4	-39.6	174.7	-90	-116	0	0	0	112.5	R132 L133 I134 G140 H141	R132-Y136 VanDerWaalsContact O-CD2 3.28Å; R132-Y136 WeakPolarHBondContact O-CD2 3.23Å; R132-Y136 PolarHBondContact O-N 3.5Å; L133-Y136 WeakPolarHBondContact O-CB 3.4Å; L133-Y136 PolarHBondContact O-N 3.21Å; I134-Y136 VanDerWaalsContact C-N 3.3Å; I134-Y136 PolarHBondContact O-N 3.16Å; Y136-G140 PolarHBondContact O-N 3.35Å; Y136-H141 HydrophobicContact CD1-CB 3.67Å; Y136-H141 HydrophobicContact CE1-CB 4.35Å; Y136-H141 HydrophobicContact CG-CB 4.19Å; Y136-H141 WeakPolarHBondContact O-CB 3.48Å; Y136-H141 PolarHBondContact O-N 3.4Å
137	A	90.3	Very high	80.6	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.8	-50.9	174.8	0	0	0	0	0	111.4	L133 I134 N135 H139 G140 L142 F155 Y506 D509 A513	L133-A137 PolarHBondContact O-N 2.96Å; L133-A137 VanDerWaalsContact O-N 3.08Å; I134-A137 WeakPolarHBondContact O-CB 3.24Å; I134-A137 PolarHBondContact O-N 3.02Å; I134-A137 VanDerWaalsContact O-N 3.13Å; N135-A137 VanDerWaalsContact C-N 3.31Å; N135-A137 PolarHBondContact O-N 3.33Å; A137-H139 PolarHBondContact O-N 2.79Å; A137-G140 PolarHBondContact O-N 3.35Å; A137-L142 HydrophobicContact CB-CD1 3.81Å; A137-L142 HydrophobicContact CB-CG 4.45Å; A137-F155 HydrophobicContact CB-CE2 3.99Å; A137-F155 HydrophobicContact CB-CZ 3.9Å; A137-Y506 WeakPolarHBondContact O-CE2 3.29Å; A137-D509 HydrophobicContact CB-CB 4.14Å; A137-A513 HydrophobicContact CB-CB 3.53Å
138	I	91.5	Very high	82.4	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-59.4	-43.8	-177.8	-70.3	173.1	0	0	0	112.1	I134 N135 G140 Y506 Y562 L565 Y573	I134-I138 HydrophobicContact CG2-CD1 3.63Å; I134-I138 HydrophobicContact CG2-CG1 4.26Å; I134-I138 WeakPolarHBondContact O-CG1 3.48Å; I134-I138 PolarHBondContact O-N 3.25Å; N135-I138 PolarHBondContact O-N 3.08Å; I138-G140 PolarHBondContact O-N 3.49Å; I138-Y506 WeakPolarHBondContact O-CE2 3.15Å; I138-Y506 PolarHBondContact O-OH 3.37Å; I138-Y562 HydrophobicContact CG2-CE1 4.45Å; I138-L565 HydrophobicContact CB-CD1 4.48Å; I138-L565 HydrophobicContact CD1-CD1 4.25Å; I138-L565 HydrophobicContact CD1-CD2 4.2Å; I138-L565 HydrophobicContact CG1-CD1 4.23Å; I138-L565 HydrophobicContact CG2-CD1 3.52Å; I138-Y573 HydrophobicContact CD1-CE1 4.43Å; I138-Y573 WeakPolarHBondContact CD1-OH 3.47Å
139	H	88.2	Confident	83.9	Confident	91 Å²	91	47 Å²	47	42%	0.421	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	0.7	180	-63.5	84.7	0	0	0	113.1	N135 A137 H141 Y562	N135-H139 WeakPolarHBondContact O-CB 3.4Å; N135-H139 PolarHBondContact O-N 3.32Å; N135-H139 PolarHBondContact O-ND1 2.71Å; A137-H139 PolarHBondContact O-N 2.79Å; H139-H141 VanDerWaalsContact C-N 3.28Å; H139-H141 PolarHBondContact O-N 3.25Å; H139-Y562 PolarHBondContact CD2-OH 2.69Å; H139-Y562 PolarHBondContact NE2-OH 2.67Å
140	G	87.4	Confident	85.1	Confident	10 Å²	10	44.4 Å²	44.4	10%	0.103	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	15	177.1	0	0	0	0	0	114.4	Y136 A137 I138 L142 R143	Y136-G140 PolarHBondContact O-N 3.35Å; A137-G140 PolarHBondContact O-N 3.35Å; I138-G140 PolarHBondContact O-N 3.49Å; G140-L142 PolarHBondContact O-N 3.07Å; G140-R143 VanDerWaalsContact O-CB 3.29Å; G140-R143 WeakPolarHBondContact O-CB 3.27Å; G140-R143 WeakPolarHBondContact O-CG 3.43Å; G140-R143 PolarHBondContact O-N 2.65Å; G140-R143 VanDerWaalsContact O-N 3.14Å
141	H	86.1	Confident	85.8	Confident	76 Å²	76	41.4 Å²	41.4	35%	0.352	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-66.7	-22.5	177.9	-60.9	150.4	0	0	0	112.4	Y136 H139 R143 V144	Y136-H141 HydrophobicContact CD1-CB 3.67Å; Y136-H141 HydrophobicContact CE1-CB 4.35Å; Y136-H141 HydrophobicContact CG-CB 4.19Å; Y136-H141 WeakPolarHBondContact O-CB 3.48Å; Y136-H141 PolarHBondContact O-N 3.4Å; H139-H141 VanDerWaalsContact C-N 3.28Å; H139-H141 PolarHBondContact O-N 3.25Å; H141-R143 PolarHBondContact O-N 2.81Å; H141-R143 VanDerWaalsContact O-N 3.16Å; H141-V144 WeakPolarHBondContact O-CG2 3.46Å; H141-V144 PolarHBondContact O-N 2.73Å
142	L	86.7	Confident	86.6	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.01	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-65.7	-14	173.6	-65.5	-173.7	0	0	0	113.6	A137 G140 V144 C145 R148 C151 F155 D509	A137-L142 HydrophobicContact CB-CD1 3.81Å; A137-L142 HydrophobicContact CB-CG 4.45Å; G140-L142 PolarHBondContact O-N 3.07Å; L142-V144 PolarHBondContact O-N 3.1Å; L142-C145 HydrophobicContact CB-CB 4.46Å; L142-C145 HydrophobicContact CD2-CB 3.91Å; L142-C145 WeakPolarHBondContact O-CB 3.49Å; L142-C145 PolarHBondContact O-N 3.22Å; L142-C145 VanDerWaalsContact O-N 3.1Å; L142-R148 PolarHBondContact O-NE 2.67Å; L142-R148 PolarHBondContact O-NH2 3Å; L142-C151 HydrophobicContact CD1-CB 4.06Å; L142-C151 HydrophobicContact CD2-CB 4.33Å; L142-F155 HydrophobicContact CD1-CE2 3.92Å; L142-F155 HydrophobicContact CD1-CZ 4.47Å; L142-D509 WeakPolarHBondContact CB-OD2 3.17Å; L142-D509 HydrophobicContact CD1-CB 4.08Å
143	R	86.2	Confident	87.3	Confident	100 Å²	100	32.6 Å²	32.6	38%	0.377	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-61.5	-26.5	173.8	-64.7	176.1	-173.2	-171.3	6.8	113.6	G140 H141	G140-R143 VanDerWaalsContact O-CB 3.29Å; G140-R143 WeakPolarHBondContact O-CB 3.27Å; G140-R143 WeakPolarHBondContact O-CG 3.43Å; G140-R143 PolarHBondContact O-N 2.65Å; G140-R143 VanDerWaalsContact O-N 3.14Å; H141-R143 PolarHBondContact O-N 2.81Å; H141-R143 VanDerWaalsContact O-N 3.16Å
144	V	78.2	Confident	87.6	Confident	93 Å²	93	32.4 Å²	32.4	56%	0.564	16%	0.158	S	C	*	.	G	3₁₀ helix	trans	-105.5	1.4	176.6	-63.3	0	0	0	0	112.5	H141 L142	H141-V144 WeakPolarHBondContact O-CG2 3.46Å; H141-V144 PolarHBondContact O-N 2.73Å; L142-V144 PolarHBondContact O-N 3.1Å
145	C	77.8	Confident	87.9	Confident	28 Å²	28	31 Å²	31	19%	0.189	15%	0.15	C	C	.	.			trans	-77.8	127.4	-179.4	-176	0	0	0	0	110.9	L142 F147	L142-C145 HydrophobicContact CB-CB 4.46Å; L142-C145 HydrophobicContact CD2-CB 3.91Å; L142-C145 WeakPolarHBondContact O-CB 3.49Å; L142-C145 PolarHBondContact O-N 3.22Å; L142-C145 VanDerWaalsContact O-N 3.1Å; C145-F147 VanDerWaalsContact C-N 3.26Å; C145-F147 PolarHBondContact O-N 2.91Å; C145-F147 PolarHBondContact SG-N 3.25Å; C145-F147 VanDerWaalsContact SG-N 3.44Å
146	H	74.1	Confident	88.2	Confident	32 Å²	32	27.6 Å²	27.6	15%	0.148	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-6.9	177.1	-66.9	105.3	0	0	0	114.6	F91 E104 D277 A280	F91-H146 AromaticContact CD2-NE2 3.97Å; F91-H146 AromaticContact CE2-CD2 3.94Å; F91-H146 AromaticContact CE2-NE2 3.95Å; E104-H146 VanDerWaalsContact CD-ND1 3.3Å; E104-H146 IonicContact OE1-CE1 3.45Å; E104-H146 PolarHBondContact OE1-CE1 3.38Å; E104-H146 IonicContact OE1-ND1 3.69Å; E104-H146 IonicContact OE2-CE1 2.79Å; E104-H146 PolarHBondContact OE2-CE1 3.48Å; E104-H146 IonicContact OE2-CG 3.61Å; E104-H146 IonicContact OE2-ND1 3Å; E104-H146 PolarHBondContact OE2-ND1 2.93Å; H146-D277 WeakPolarHBondContact O-CA 3.42Å; H146-D277 VanDerWaalsContact O-CG 3.26Å; H146-D277 VanDerWaalsContact O-OD1 3.12Å; H146-A280 HydrophobicContact CB-CB 4.18Å
147	F	85.8	Confident	88.5	Confident	17 Å²	17	27.4 Å²	27.4	8%	0.075	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.6	40.3	-176.1	-60	-83	0	0	0	111.3	V108 C145 S149 I150 C151 D277 F281 M302	V108-F147 HydrophobicContact CG2-CD2 3.12Å; V108-F147 HydrophobicContact CG2-CE2 3.22Å; V108-F147 HydrophobicContact CG2-CG 4.07Å; V108-F147 HydrophobicContact CG2-CZ 4.22Å; C145-F147 VanDerWaalsContact C-N 3.26Å; C145-F147 PolarHBondContact O-N 2.91Å; C145-F147 PolarHBondContact SG-N 3.25Å; C145-F147 VanDerWaalsContact SG-N 3.44Å; F147-S149 PolarHBondContact O-N 3.31Å; F147-I150 HydrophobicContact CB-CB 4.48Å; F147-I150 HydrophobicContact CB-CD1 3.95Å; F147-I150 HydrophobicContact CB-CG1 4.2Å; F147-I150 HydrophobicContact CD1-CD1 4.03Å; F147-I150 HydrophobicContact CG-CD1 4.31Å; F147-I150 WeakPolarHBondContact O-CB 3.42Å; F147-I150 PolarHBondContact O-N 3.01Å; F147-C151 PolarHBondContact O-N 2.82Å; F147-D277 WeakPolarHBondContact CA-OD2 3.17Å; F147-F281 HydrophobicContact CE1-CB 4.11Å; F147-F281 HydrophobicContact CE1-CD2 4.12Å; F147-F281 HydrophobicContact CZ-CD2 4.48Å; F147-M302 HydrophobicContact CD1-CG 4.48Å; F147-M302 HydrophobicContact CE1-CG 4.46Å
148	R	90.8	Very high	88.7	Confident	14 Å²	14	28 Å²	28	5%	0.053	14%	0.141	C	C	.	.	H	α-helix	trans	-59	-35.7	-177.6	177.4	-177	-101.8	149.2	-13.9	112	L142 I150 C151 W152 V273 D277 D509	L142-R148 PolarHBondContact O-NE 2.67Å; L142-R148 PolarHBondContact O-NH2 3Å; R148-I150 VanDerWaalsContact C-N 3.27Å; R148-I150 PolarHBondContact O-N 3.46Å; R148-C151 WeakPolarHBondContact O-CB 3.35Å; R148-C151 PolarHBondContact O-N 2.95Å; R148-C151 VanDerWaalsContact O-N 3.15Å; R148-W152 HydrophobicContact CG-CD2 4.45Å; R148-W152 HydrophobicContact CG-CZ2 4.46Å; R148-W152 PolarHBondContact O-N 3.06Å; R148-V273 HydrophobicContact CB-CG1 3.93Å; R148-V273 HydrophobicContact CG-CG1 3.94Å; R148-D277 PolarHBondContact N-OD1 3.16Å; R148-D277 PolarHBondContact N-OD2 2.97Å; R148-D509 WeakPolarHBondContact CD-OD1 3.44Å; R148-D509 IonicContact CZ-OD1 2.93Å; R148-D509 IonicContact CZ-OD2 3.41Å; R148-D509 IonicContact NE-OD1 3.27Å; R148-D509 PolarHBondContact NE-OD1 3.44Å; R148-D509 IonicContact NE-OD2 2.99Å; R148-D509 PolarHBondContact NE-OD2 2.93Å; R148-D509 IonicContact NH2-OD1 3.72Å; R148-D509 IonicContact NH2-OD2 3.53Å; R148-D509 PolarHBondContact NH2-OD2 3.1Å
149	S	93	Very high	88.7	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61	-31.6	175.4	72.4	0	0	0	0	113.1	F147 R153 D277	F147-S149 PolarHBondContact O-N 3.31Å; S149-R153 WeakPolarHBondContact O-CB 3.44Å; S149-R153 VanDerWaalsContact O-CG 3.25Å; S149-R153 WeakPolarHBondContact O-CG 3.18Å; S149-R153 PolarHBondContact O-N 3.23Å; S149-R153 PolarHBondContact O-NE 2.8Å; S149-R153 PolarHBondContact OG-NH2 3.32Å; S149-D277 WeakPolarHBondContact CA-OD2 3.47Å; S149-D277 WeakPolarHBondContact CB-OD2 3.44Å; S149-D277 PolarHBondContact N-OD2 3.1Å; S149-D277 PolarHBondContact OG-OD2 3.5Å
150	I	91.4	Very high	88.7	Confident	5 Å²	5	25.7 Å²	25.7	3%	0.026	13%	0.134	C	C	.	.	H	α-helix	trans	-68.3	-46.7	174.6	-59.3	-176.4	0	0	0	108.8	F147 R148 W152 R153 I154 L159 W166 L298 I301 M302	F147-I150 HydrophobicContact CB-CB 4.48Å; F147-I150 HydrophobicContact CB-CD1 3.95Å; F147-I150 HydrophobicContact CB-CG1 4.2Å; F147-I150 HydrophobicContact CD1-CD1 4.03Å; F147-I150 HydrophobicContact CG-CD1 4.31Å; F147-I150 WeakPolarHBondContact O-CB 3.42Å; F147-I150 PolarHBondContact O-N 3.01Å; R148-I150 VanDerWaalsContact C-N 3.27Å; R148-I150 PolarHBondContact O-N 3.46Å; I150-W152 VanDerWaalsContact C-N 3.32Å; I150-W152 PolarHBondContact O-N 3.33Å; I150-R153 PolarHBondContact O-N 3.13Å; I150-R153 VanDerWaalsContact O-N 3.15Å; I150-I154 HydrophobicContact CG2-CD1 4.08Å; I150-I154 WeakPolarHBondContact O-CG1 3.34Å; I150-I154 PolarHBondContact O-N 3.48Å; I150-L159 HydrophobicContact CG2-CD1 4.31Å; I150-W166 HydrophobicContact CG2-CH2 3.73Å; I150-W166 HydrophobicContact CG2-CZ3 3.96Å; I150-L298 HydrophobicContact CD1-CD2 4.29Å; I150-I301 HydrophobicContact CD1-CG2 4.13Å; I150-I301 HydrophobicContact CG1-CG2 4.21Å; I150-M302 HydrophobicContact CD1-SD 4.12Å; I150-M302 HydrophobicContact CG1-SD 4.14Å
151	C	91.7	Very high	88.3	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-57.2	-46.4	176.4	-53	0	0	0	0	111.1	L133 L142 F147 R148 R153 I154 F155	L133-C151 HydrophobicContact CD1-CB 4.26Å; L142-C151 HydrophobicContact CD1-CB 4.06Å; L142-C151 HydrophobicContact CD2-CB 4.33Å; F147-C151 PolarHBondContact O-N 2.82Å; R148-C151 WeakPolarHBondContact O-CB 3.35Å; R148-C151 PolarHBondContact O-N 2.95Å; R148-C151 VanDerWaalsContact O-N 3.15Å; C151-R153 PolarHBondContact O-N 3.41Å; C151-I154 PolarHBondContact O-N 2.97Å; C151-F155 HydrophobicContact CB-CE2 4.16Å; C151-F155 WeakPolarHBondContact O-CB 3.24Å; C151-F155 WeakPolarHBondContact O-CD2 3.45Å; C151-F155 WeakPolarHBondContact O-CG 3.34Å; C151-F155 PolarHBondContact O-N 3.14Å
152	W	94.7	Very high	88	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63	-41.1	176.8	-72.8	11.8	0	0	0	112.5	R148 I150 I154 F155 L156 L270 V273 M314 L505 W508 D509 F512	R148-W152 HydrophobicContact CG-CD2 4.45Å; R148-W152 HydrophobicContact CG-CZ2 4.46Å; R148-W152 PolarHBondContact O-N 3.06Å; I150-W152 VanDerWaalsContact C-N 3.32Å; I150-W152 PolarHBondContact O-N 3.33Å; W152-I154 VanDerWaalsContact C-N 3.31Å; W152-I154 PolarHBondContact O-N 3.45Å; W152-F155 PolarHBondContact O-N 2.82Å; W152-L156 VanDerWaalsContact O-CB 3.25Å; W152-L156 WeakPolarHBondContact O-CB 3.18Å; W152-L156 WeakPolarHBondContact O-CG 3.47Å; W152-L156 PolarHBondContact O-N 3.26Å; W152-L270 HydrophobicContact CE3-CD2 3.84Å; W152-L270 HydrophobicContact CZ3-CD2 3.73Å; W152-V273 HydrophobicContact CE3-CG1 4.42Å; W152-V273 HydrophobicContact CH2-CG2 3.84Å; W152-V273 HydrophobicContact CZ2-CG2 4.41Å; W152-V273 HydrophobicContact CZ3-CB 4.21Å; W152-V273 HydrophobicContact CZ3-CG1 4.49Å; W152-V273 HydrophobicContact CZ3-CG2 3.91Å; W152-M314 HydrophobicContact CB-CE 3.6Å; W152-M314 HydrophobicContact CD2-CE 4.42Å; W152-M314 HydrophobicContact CE3-CE 3.77Å; W152-M314 HydrophobicContact CG-CE 4.43Å; W152-L505 HydrophobicContact CH2-CD2 3.49Å; W152-L505 VanDerWaalsContact CH2-CD2 3.49Å; W152-L505 HydrophobicContact CZ2-CD2 4.02Å; W152-L505 HydrophobicContact CZ3-CD2 4.49Å; W152-W508 HydrophobicContact CH2-CB 4.04Å; W152-W508 HydrophobicContact CH2-CD2 4.36Å; W152-W508 AromaticContact CH2-CE3 3.56Å; W152-W508 HydrophobicContact CH2-CE3 3.56Å; W152-W508 HydrophobicContact CH2-CZ3 4.37Å; W152-W508 HydrophobicContact CZ2-CB 3.78Å; W152-W508 HydrophobicContact CZ2-CE3 4.41Å; W152-W508 AromaticContact CZ3-CE3 3.8Å; W152-W508 HydrophobicContact CZ3-CE3 3.8Å; W152-W508 HydrophobicContact CZ3-CZ3 4.29Å; W152-D509 PolarHBondContact NE1-OD1 3.31Å; W152-F512 HydrophobicContact CB-CD2 4.37Å; W152-F512 AromaticContact CD2-CD2 3.85Å; W152-F512 HydrophobicContact CD2-CD2 3.85Å; W152-F512 AromaticContact CD2-CE2 3.8Å; W152-F512 HydrophobicContact CD2-CE2 3.8Å; W152-F512 HydrophobicContact CE3-CD2 4.37Å; W152-F512 AromaticContact CE3-CE2 3.87Å; W152-F512 HydrophobicContact CE3-CE2 3.87Å; W152-F512 AromaticContact CG-CD2 3.87Å; W152-F512 HydrophobicContact CG-CD2 3.87Å; W152-F512 HydrophobicContact CG-CE2 4.28Å; W152-F512 HydrophobicContact CH2-CE2 4.32Å; W152-F512 HydrophobicContact CZ2-CE2 4.3Å; W152-F512 HydrophobicContact CZ3-CE2 4.14Å
153	R	94.3	Very high	87.7	Confident	2 Å²	2	30 Å²	30	1%	0.008	16%	0.157	C	C	.	.	H	α-helix	trans	-64	-35.4	175.9	-77.7	-179.5	-79.5	-173.7	-5	112.4	S149 I150 C151 N157 I158 L159 I301 M302 D310 M314	S149-R153 WeakPolarHBondContact O-CB 3.44Å; S149-R153 VanDerWaalsContact O-CG 3.25Å; S149-R153 WeakPolarHBondContact O-CG 3.18Å; S149-R153 PolarHBondContact O-N 3.23Å; S149-R153 PolarHBondContact O-NE 2.8Å; S149-R153 PolarHBondContact OG-NH2 3.32Å; I150-R153 PolarHBondContact O-N 3.13Å; I150-R153 VanDerWaalsContact O-N 3.15Å; C151-R153 PolarHBondContact O-N 3.41Å; R153-N157 PolarHBondContact O-N 3.49Å; R153-I158 HydrophobicContact CB-CB 4.28Å; R153-I158 HydrophobicContact CG-CB 4.46Å; R153-I158 HydrophobicContact CG-CD1 4.41Å; R153-I158 HydrophobicContact CG-CG2 4.41Å; R153-I158 WeakPolarHBondContact O-CB 3.27Å; R153-I158 PolarHBondContact O-N 3.13Å; R153-L159 HydrophobicContact CB-CB 4.46Å; R153-L159 HydrophobicContact CB-CD1 3.72Å; R153-L159 HydrophobicContact CB-CG 3.86Å; R153-L159 PolarHBondContact O-N 2.77Å; R153-I301 PolarHBondContact NH1-O 3.48Å; R153-M302 PolarHBondContact NH2-SD 3.41Å; R153-M302 VanDerWaalsContact NH2-SD 3.37Å; R153-D310 IonicContact NH1-OD2 3.69Å; R153-D310 PolarHBondContact NH1-OD2 3.04Å; R153-M314 HydrophobicContact CG-CE 4.37Å; R153-M314 HydrophobicContact CG-CG 3.94Å; R153-M314 HydrophobicContact CG-SD 3.8Å
154	I	91.9	Very high	87.5	Confident	13 Å²	13	28.8 Å²	28.8	7%	0.067	16%	0.164	C	C	.	.	H	α-helix	trans	-67.2	-51.9	172.7	-64.6	164.8	0	0	0	110.1	F130 L133 I150 C151 W152 L156 N157 L159 W166	F130-I154 HydrophobicContact CD2-CG2 4.27Å; F130-I154 HydrophobicContact CE2-CG2 4.17Å; L133-I154 HydrophobicContact CD2-CB 4.4Å; L133-I154 HydrophobicContact CD2-CD1 4.16Å; L133-I154 HydrophobicContact CD2-CG2 4.12Å; I150-I154 HydrophobicContact CG2-CD1 4.08Å; I150-I154 WeakPolarHBondContact O-CG1 3.34Å; I150-I154 PolarHBondContact O-N 3.48Å; C151-I154 PolarHBondContact O-N 2.97Å; W152-I154 VanDerWaalsContact C-N 3.31Å; W152-I154 PolarHBondContact O-N 3.45Å; I154-L156 VanDerWaalsContact C-N 3.28Å; I154-L156 PolarHBondContact O-N 3.04Å; I154-N157 WeakPolarHBondContact O-CA 3.49Å; I154-N157 PolarHBondContact O-N 3.29Å; I154-N157 PolarHBondContact O-OD1 3.38Å; I154-L159 HydrophobicContact CG1-CB 4.2Å; I154-W166 HydrophobicContact CD1-CH2 3.92Å; I154-W166 HydrophobicContact CD1-CZ2 3.72Å; I154-W166 HydrophobicContact CG1-CH2 4.42Å; I154-W166 HydrophobicContact CG1-CZ2 3.88Å
155	F	92.9	Very high	87.9	Confident	3 Å²	3	28 Å²	28	1%	0.013	16%	0.155	C	C	.	.	H	α-helix	trans	-59.1	-36.8	-179.8	-68.2	-31.7	0	0	0	113.7	F130 L133 I134 A137 L142 C151 W152 N157 F512 A513 N516	F130-F155 HydrophobicContact CE2-CD1 4.02Å; F130-F155 HydrophobicContact CE2-CE1 4.45Å; F130-F155 HydrophobicContact CZ-CD1 4.4Å; L133-F155 HydrophobicContact CB-CE1 4.26Å; L133-F155 HydrophobicContact CB-CZ 4.48Å; L133-F155 HydrophobicContact CD1-CZ 4.28Å; L133-F155 HydrophobicContact CD2-CD1 4.29Å; L133-F155 HydrophobicContact CD2-CE1 3.67Å; L133-F155 HydrophobicContact CD2-CZ 4Å; L133-F155 HydrophobicContact CG-CE1 3.55Å; L133-F155 HydrophobicContact CG-CZ 3.55Å; I134-F155 HydrophobicContact CG1-CE1 4.21Å; A137-F155 HydrophobicContact CB-CE2 3.99Å; A137-F155 HydrophobicContact CB-CZ 3.9Å; L142-F155 HydrophobicContact CD1-CE2 3.92Å; L142-F155 HydrophobicContact CD1-CZ 4.47Å; C151-F155 HydrophobicContact CB-CE2 4.16Å; C151-F155 WeakPolarHBondContact O-CB 3.24Å; C151-F155 WeakPolarHBondContact O-CD2 3.45Å; C151-F155 WeakPolarHBondContact O-CG 3.34Å; C151-F155 PolarHBondContact O-N 3.14Å; W152-F155 PolarHBondContact O-N 2.82Å; F155-N157 PolarHBondContact O-N 3.49Å; F155-F512 HydrophobicContact CB-CB 3.75Å; F155-F512 WeakPolarHBondContact CB-O 3.49Å; F155-F512 HydrophobicContact CD2-CB 4.1Å; F155-F512 HydrophobicContact CG-CB 4.33Å; F155-A513 HydrophobicContact CD1-CB 4.17Å; F155-A513 HydrophobicContact CD2-CB 4.14Å; F155-A513 HydrophobicContact CE1-CB 3.77Å; F155-A513 HydrophobicContact CE2-CB 3.76Å; F155-A513 HydrophobicContact CG-CB 4.34Å; F155-A513 HydrophobicContact CZ-CB 3.54Å; F155-N516 WeakPolarHBondContact O-CB 3.43Å
156	L	93.6	Very high	88.5	Confident	2 Å²	2	27 Å²	27	1%	0.01	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	4.7	176.9	-67	172.6	0	0	0	112.8	W152 I154 I158 M314 K317 I318 F512	W152-L156 VanDerWaalsContact O-CB 3.25Å; W152-L156 WeakPolarHBondContact O-CB 3.18Å; W152-L156 WeakPolarHBondContact O-CG 3.47Å; W152-L156 PolarHBondContact O-N 3.26Å; I154-L156 VanDerWaalsContact C-N 3.28Å; I154-L156 PolarHBondContact O-N 3.04Å; L156-I158 HydrophobicContact CB-CD1 3.87Å; L156-I158 HydrophobicContact CB-CG1 4.04Å; L156-I158 HydrophobicContact CD1-CD1 4.14Å; L156-I158 PolarHBondContact O-N 3.42Å; L156-M314 HydrophobicContact CD1-CE 4.43Å; L156-K317 HydrophobicContact CB-CG 4.13Å; L156-K317 WeakPolarHBondContact O-CE 3.34Å; L156-I318 HydrophobicContact CD1-CD1 4.09Å; L156-I318 HydrophobicContact CD1-CG1 4.15Å; L156-I318 HydrophobicContact CD2-CG1 4.02Å; L156-F512 HydrophobicContact CD2-CB 4.49Å; L156-F512 HydrophobicContact CD2-CD1 3.73Å; L156-F512 HydrophobicContact CD2-CE1 4.1Å; L156-F512 HydrophobicContact CD2-CG 4.04Å; L156-F512 HydrophobicContact CG-CD1 4.5Å; L156-F512 HydrophobicContact CG-CG 4.34Å
157	N	92.2	Very high	89.3	Confident	87 Å²	87	28 Å²	28	47%	0.465	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	35.1	-174.6	-64.3	-6.4	0	0	0	113.3	R153 I154 F155 N516	R153-N157 PolarHBondContact O-N 3.49Å; I154-N157 WeakPolarHBondContact O-CA 3.49Å; I154-N157 PolarHBondContact O-N 3.29Å; I154-N157 PolarHBondContact O-OD1 3.38Å; F155-N157 PolarHBondContact O-N 3.49Å; N157-N516 PolarHBondContact ND2-ND2 3.05Å
158	I	93.5	Very high	89.6	Confident	13 Å²	13	34.2 Å²	34.2	7%	0.067	18%	0.184	C	C	.	.	S	Bend	trans	-83.9	-43.4	170.5	-63.4	166.4	0	0	0	108.5	R153 L156 Q169 M314 K317	R153-I158 HydrophobicContact CB-CB 4.28Å; R153-I158 HydrophobicContact CG-CB 4.46Å; R153-I158 HydrophobicContact CG-CD1 4.41Å; R153-I158 HydrophobicContact CG-CG2 4.41Å; R153-I158 WeakPolarHBondContact O-CB 3.27Å; R153-I158 PolarHBondContact O-N 3.13Å; L156-I158 HydrophobicContact CB-CD1 3.87Å; L156-I158 HydrophobicContact CB-CG1 4.04Å; L156-I158 HydrophobicContact CD1-CD1 4.14Å; L156-I158 PolarHBondContact O-N 3.42Å; I158-Q169 VanDerWaalsContact O-CG 3.22Å; I158-Q169 WeakPolarHBondContact O-CG 3.48Å; I158-M314 HydrophobicContact CD1-CB 4.13Å; I158-M314 HydrophobicContact CD1-CG 3.6Å; I158-K317 HydrophobicContact CD1-CB 4.26Å; I158-K317 HydrophobicContact CG1-CB 4.44Å; I158-K317 HydrophobicContact CG1-CG 4.41Å
159	L	91.4	Very high	89.7	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	-94.8	129.4	168.1	-68.1	174.8	0	0	0	109	I150 R153 I154 W166 L170	I150-L159 HydrophobicContact CG2-CD1 4.31Å; R153-L159 HydrophobicContact CB-CB 4.46Å; R153-L159 HydrophobicContact CB-CD1 3.72Å; R153-L159 HydrophobicContact CB-CG 3.86Å; R153-L159 PolarHBondContact O-N 2.77Å; I154-L159 HydrophobicContact CG1-CB 4.2Å; L159-W166 HydrophobicContact CB-CD2 4.41Å; L159-W166 HydrophobicContact CB-CG 4.46Å; L159-W166 HydrophobicContact CB-CZ2 4.48Å; L159-W166 HydrophobicContact CD1-CD2 4.07Å; L159-W166 HydrophobicContact CD1-CE3 4.18Å; L159-W166 HydrophobicContact CD1-CH2 4.43Å; L159-W166 HydrophobicContact CD1-CZ2 4.31Å; L159-W166 HydrophobicContact CD1-CZ3 4.37Å; L159-W166 HydrophobicContact CD2-CB 4.1Å; L159-W166 HydrophobicContact CD2-CD2 4.19Å; L159-W166 HydrophobicContact CD2-CG 3.89Å; L159-W166 HydrophobicContact CG-CD2 4.45Å; L159-L170 HydrophobicContact CD2-CD1 4.06Å; L159-L170 HydrophobicContact CD2-CD2 3.89Å; L159-L170 HydrophobicContact CD2-CG 3.71Å
160	P	88.2	Confident	89.8	Confident	43 Å²	43	36.4 Å²	36.4	28%	0.279	20%	0.195	S	C	.	.			trans	-66.7	161.8	174.9	28.3	-33.3	0	0	0	110.4	D162 Q165 W166 Q169	P160-D162 PolarHBondContact O-N 3.01Å; P160-Q165 HydrophobicContact CG-CB 3.69Å; P160-W166 PolarHBondContact O-NE1 2.9Å; P160-Q169 HydrophobicContact CG-CB 4.47Å
161	N	80.5	Confident	90	Very high	93 Å²	93	41.5 Å²	41.5	50%	0.497	22%	0.217	S	C	.	.	S	Bend	trans	-63.8	-23.2	177.5	-66.2	-16.3	0	0	0	112.8
162	D	79.1	Confident	90.2	Very high	70 Å²	70	47.9 Å²	47.9	37%	0.374	25%	0.245	S	C	.	.			trans	-88.2	108	175.7	-177.9	5.3	0	0	0	111.1	P160 S164 Q165 W166	P160-D162 PolarHBondContact O-N 3.01Å; D162-S164 PolarHBondContact O-N 3.49Å; D162-S164 VanDerWaalsContact OD1-CB 3.32Å; D162-S164 WeakPolarHBondContact OD1-CB 3.31Å; D162-S164 PolarHBondContact OD1-N 2.58Å; D162-S164 PolarHBondContact OD1-OG 2.99Å; D162-S164 PolarHBondContact OD2-OG 3.02Å; D162-Q165 HydrophobicContact CB-CG 4.21Å; D162-Q165 WeakPolarHBondContact O-CB 3.38Å; D162-Q165 PolarHBondContact O-N 3.38Å; D162-W166 VanDerWaalsContact O-CD1 3.23Å
163	V	80.8	Confident	90.3	Very high	14 Å²	14	48.6 Å²	48.6	9%	0.085	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-57.2	-31.3	177.1	-177.8	0	0	0	0	111.7	I112 L114 Q165 W166	I112-V163 HydrophobicContact CG2-CG1 4.37Å; L114-V163 HydrophobicContact CD1-CB 3.41Å; L114-V163 VanDerWaalsContact CD1-CB 3.41Å; L114-V163 HydrophobicContact CD1-CG2 3.46Å; L114-V163 VanDerWaalsContact CD1-CG2 3.46Å; L114-V163 HydrophobicContact CD2-CG2 4.26Å; L114-V163 HydrophobicContact CG-CB 3.82Å; L114-V163 HydrophobicContact CG-CG2 3.43Å; L114-V163 VanDerWaalsContact CG-CG2 3.43Å; V163-Q165 PolarHBondContact O-N 2.92Å; V163-Q165 VanDerWaalsContact O-N 3.13Å; V163-W166 VanDerWaalsContact CA-CD1 3.48Å; V163-W166 HydrophobicContact CB-CD2 4.22Å; V163-W166 HydrophobicContact CG1-CD2 3.98Å; V163-W166 HydrophobicContact CG1-CE3 3.91Å; V163-W166 HydrophobicContact CG1-CG 4.4Å; V163-W166 HydrophobicContact CG1-CZ3 4.27Å; V163-W166 HydrophobicContact CG2-CD2 4.2Å; V163-W166 HydrophobicContact CG2-CE3 4.48Å; V163-W166 HydrophobicContact CG2-CH2 4Å; V163-W166 HydrophobicContact CG2-CZ2 3.66Å; V163-W166 HydrophobicContact CG2-CZ3 4.4Å; V163-W166 VanDerWaalsContact O-CB 3.32Å; V163-W166 WeakPolarHBondContact O-CB 3.19Å; V163-W166 PolarHBondContact O-N 3.24Å
164	S	81.7	Confident	90.4	Very high	75 Å²	75	48.7 Å²	48.7	52%	0.524	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-61.8	-25.8	177.4	77.4	0	0	0	0	112.5	D162	D162-S164 PolarHBondContact O-N 3.49Å; D162-S164 VanDerWaalsContact OD1-CB 3.32Å; D162-S164 WeakPolarHBondContact OD1-CB 3.31Å; D162-S164 PolarHBondContact OD1-N 2.58Å; D162-S164 PolarHBondContact OD1-OG 2.99Å; D162-S164 PolarHBondContact OD2-OG 3.02Å
165	Q	87.3	Confident	90.6	Very high	78 Å²	78	53.4 Å²	53.4	36%	0.364	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-90.8	-6.5	178.8	-58.9	-57.8	-45.8	0	0	113.4	P160 D162 V163 S167 K168 Q169	P160-Q165 HydrophobicContact CG-CB 3.69Å; D162-Q165 HydrophobicContact CB-CG 4.21Å; D162-Q165 WeakPolarHBondContact O-CB 3.38Å; D162-Q165 PolarHBondContact O-N 3.38Å; V163-Q165 PolarHBondContact O-N 2.92Å; V163-Q165 VanDerWaalsContact O-N 3.13Å; Q165-S167 PolarHBondContact O-N 2.58Å; Q165-K168 PolarHBondContact O-N 3.24Å; Q165-Q169 WeakPolarHBondContact O-CB 3.08Å; Q165-Q169 PolarHBondContact O-N 3.32Å
166	W	90.7	Very high	90.8	Very high	6 Å²	6	57.2 Å²	57.2	2%	0.023	29%	0.285	C	S	.	.	H	α-helix	trans	-61.1	-45.1	-175.6	-74.7	12.1	0	0	0	112.2	I150 I154 L159 P160 D162 V163 K168 Q169 L170 I301	I150-W166 HydrophobicContact CG2-CH2 3.73Å; I150-W166 HydrophobicContact CG2-CZ3 3.96Å; I154-W166 HydrophobicContact CD1-CH2 3.92Å; I154-W166 HydrophobicContact CD1-CZ2 3.72Å; I154-W166 HydrophobicContact CG1-CH2 4.42Å; I154-W166 HydrophobicContact CG1-CZ2 3.88Å; L159-W166 HydrophobicContact CB-CD2 4.41Å; L159-W166 HydrophobicContact CB-CG 4.46Å; L159-W166 HydrophobicContact CB-CZ2 4.48Å; L159-W166 HydrophobicContact CD1-CD2 4.07Å; L159-W166 HydrophobicContact CD1-CE3 4.18Å; L159-W166 HydrophobicContact CD1-CH2 4.43Å; L159-W166 HydrophobicContact CD1-CZ2 4.31Å; L159-W166 HydrophobicContact CD1-CZ3 4.37Å; L159-W166 HydrophobicContact CD2-CB 4.1Å; L159-W166 HydrophobicContact CD2-CD2 4.19Å; L159-W166 HydrophobicContact CD2-CG 3.89Å; L159-W166 HydrophobicContact CG-CD2 4.45Å; P160-W166 PolarHBondContact O-NE1 2.9Å; D162-W166 VanDerWaalsContact O-CD1 3.23Å; V163-W166 VanDerWaalsContact CA-CD1 3.48Å; V163-W166 HydrophobicContact CB-CD2 4.22Å; V163-W166 HydrophobicContact CG1-CD2 3.98Å; V163-W166 HydrophobicContact CG1-CE3 3.91Å; V163-W166 HydrophobicContact CG1-CG 4.4Å; V163-W166 HydrophobicContact CG1-CZ3 4.27Å; V163-W166 HydrophobicContact CG2-CD2 4.2Å; V163-W166 HydrophobicContact CG2-CE3 4.48Å; V163-W166 HydrophobicContact CG2-CH2 4Å; V163-W166 HydrophobicContact CG2-CZ2 3.66Å; V163-W166 HydrophobicContact CG2-CZ3 4.4Å; V163-W166 VanDerWaalsContact O-CB 3.32Å; V163-W166 WeakPolarHBondContact O-CB 3.19Å; V163-W166 PolarHBondContact O-N 3.24Å; W166-K168 VanDerWaalsContact C-N 3.34Å; W166-K168 PolarHBondContact O-N 3Å; W166-Q169 PolarHBondContact O-N 3.03Å; W166-L170 VanDerWaalsContact O-CB 3.3Å; W166-L170 WeakPolarHBondContact O-CB 3.17Å; W166-L170 WeakPolarHBondContact O-CG 3.31Å; W166-L170 PolarHBondContact O-N 3.15Å; W166-I301 HydrophobicContact CE3-CD1 3.38Å; W166-I301 HydrophobicContact CE3-CG1 4.06Å; W166-I301 HydrophobicContact CZ3-CD1 3.68Å
167	S	89.8	Confident	91	Very high	53 Å²	53	57.5 Å²	57.5	37%	0.371	29%	0.287	S	S	.	.	H	α-helix	trans	-59.9	-44.6	178.8	59.8	0	0	0	0	111.7	Q165 K171 Y300	Q165-S167 PolarHBondContact O-N 2.58Å; S167-K171 VanDerWaalsContact O-CB 3.29Å; S167-K171 WeakPolarHBondContact O-CB 3.41Å; S167-K171 PolarHBondContact O-N 3.41Å; S167-Y300 WeakPolarHBondContact O-CE1 3.41Å
168	K	92	Very high	91.1	Very high	147 Å²	147	56.3 Å²	56.3	64%	0.639	28%	0.283	S	S	*	.	H	α-helix	trans	-64.6	-44.6	177.3	-174.2	-179.3	178.9	-178.3	0	112.1	Q165 W166 K172	Q165-K168 PolarHBondContact O-N 3.24Å; W166-K168 VanDerWaalsContact C-N 3.34Å; W166-K168 PolarHBondContact O-N 3Å; K168-K172 PolarHBondContact O-N 2.81Å
169	Q	93.9	Very high	91.1	Very high	58 Å²	58	60.3 Å²	60.3	27%	0.271	30%	0.302	S	S	.	.	H	α-helix	trans	-67	-49	-180	-177.5	56.4	44.5	0	0	111.4	I158 P160 Q165 W166 K171 K172 D173	I158-Q169 VanDerWaalsContact O-CG 3.22Å; I158-Q169 WeakPolarHBondContact O-CG 3.48Å; P160-Q169 HydrophobicContact CG-CB 4.47Å; Q165-Q169 WeakPolarHBondContact O-CB 3.08Å; Q165-Q169 PolarHBondContact O-N 3.32Å; W166-Q169 PolarHBondContact O-N 3.03Å; Q169-K171 VanDerWaalsContact C-N 3.32Å; Q169-K171 PolarHBondContact O-N 3.13Å; Q169-K172 WeakPolarHBondContact O-CB 3.1Å; Q169-K172 PolarHBondContact O-N 2.82Å; Q169-D173 PolarHBondContact NE2-OD1 3.22Å; Q169-D173 PolarHBondContact NE2-OD2 2.96Å; Q169-D173 PolarHBondContact O-N 3.35Å
170	L	95.2	Very high	91.2	Very high	3 Å²	3	60.7 Å²	60.7	2%	0.016	30%	0.304	C	S	.	.	H	α-helix	trans	-60.4	-40.5	176.8	-75	173.4	0	0	0	111.8	L159 W166 K172 D173 R174 Y300 I301	L159-L170 HydrophobicContact CD2-CD1 4.06Å; L159-L170 HydrophobicContact CD2-CD2 3.89Å; L159-L170 HydrophobicContact CD2-CG 3.71Å; W166-L170 VanDerWaalsContact O-CB 3.3Å; W166-L170 WeakPolarHBondContact O-CB 3.17Å; W166-L170 WeakPolarHBondContact O-CG 3.31Å; W166-L170 PolarHBondContact O-N 3.15Å; L170-K172 VanDerWaalsContact C-N 3.35Å; L170-K172 PolarHBondContact O-N 2.98Å; L170-D173 PolarHBondContact O-N 3.12Å; L170-R174 VanDerWaalsContact O-CB 3.23Å; L170-R174 WeakPolarHBondContact O-CB 3.11Å; L170-R174 VanDerWaalsContact O-CD 3.27Å; L170-R174 WeakPolarHBondContact O-CD 3.37Å; L170-R174 WeakPolarHBondContact O-CG 3.4Å; L170-R174 PolarHBondContact O-N 2.94Å; L170-Y300 HydrophobicContact CB-CE1 3.88Å; L170-Y300 HydrophobicContact CD1-CD1 4.22Å; L170-Y300 HydrophobicContact CD1-CE1 4.33Å; L170-I301 HydrophobicContact CD1-CB 4.21Å; L170-I301 HydrophobicContact CD1-CG1 3.88Å; L170-I301 HydrophobicContact CD1-CG2 4.33Å
171	K	95.2	Very high	91.4	Very high	111 Å²	111	60 Å²	60	48%	0.483	30%	0.298	S	S	.	.	H	α-helix	trans	-56	-50.4	175.1	-175	176.1	174.1	-179.6	0	111.3	S167 Q169 D173 R174 E175 Y300	S167-K171 VanDerWaalsContact O-CB 3.29Å; S167-K171 WeakPolarHBondContact O-CB 3.41Å; S167-K171 PolarHBondContact O-N 3.41Å; Q169-K171 VanDerWaalsContact C-N 3.32Å; Q169-K171 PolarHBondContact O-N 3.13Å; K171-D173 PolarHBondContact O-N 3.08Å; K171-R174 PolarHBondContact O-N 3.03Å; K171-E175 WeakPolarHBondContact CE-OE1 3.47Å; K171-E175 HydrophobicContact CG-CG 4.47Å; K171-E175 WeakPolarHBondContact CG-OE1 3.41Å; K171-E175 WeakPolarHBondContact O-CB 3.43Å; K171-E175 VanDerWaalsContact O-CG 3.3Å; K171-E175 WeakPolarHBondContact O-CG 3.11Å; K171-E175 PolarHBondContact O-N 3.07Å; K171-Y300 WeakPolarHBondContact CA-OH 3.42Å; K171-Y300 WeakPolarHBondContact CB-OH 3.2Å
172	K	95.9	Very high	91.8	Very high	135 Å²	135	58.1 Å²	58.1	59%	0.587	29%	0.292	S	S	*	.	H	α-helix	trans	-58.8	-46.9	178.8	-180	-174.3	174.8	-174.4	0	111.6	K168 Q169 L170 Y176	K168-K172 PolarHBondContact O-N 2.81Å; Q169-K172 WeakPolarHBondContact O-CB 3.1Å; Q169-K172 PolarHBondContact O-N 2.82Å; L170-K172 VanDerWaalsContact C-N 3.35Å; L170-K172 PolarHBondContact O-N 2.98Å; K172-Y176 VanDerWaalsContact O-CB 3.27Å; K172-Y176 WeakPolarHBondContact O-CB 3.27Å; K172-Y176 PolarHBondContact O-N 3.42Å
173	D	96	Very high	92.1	Very high	15 Å²	15	62.3 Å²	62.3	8%	0.08	30%	0.302	C	S	.	.	H	α-helix	trans	-67.2	-39.3	-177.7	-70.2	-18.9	0	0	0	112.3	Q169 L170 K171 Y176 F177 M313	Q169-D173 PolarHBondContact NE2-OD1 3.22Å; Q169-D173 PolarHBondContact NE2-OD2 2.96Å; Q169-D173 PolarHBondContact O-N 3.35Å; L170-D173 PolarHBondContact O-N 3.12Å; K171-D173 PolarHBondContact O-N 3.08Å; D173-Y176 WeakPolarHBondContact O-CB 3.38Å; D173-Y176 PolarHBondContact O-N 3.41Å; D173-F177 PolarHBondContact O-N 3.3Å; D173-M313 HydrophobicContact CB-CE 3.98Å; D173-M313 HydrophobicContact CB-CG 4.01Å; D173-M313 HydrophobicContact CB-SD 4.2Å
174	R	97.1	Very high	92.4	Very high	4 Å²	4	62.2 Å²	62.2	2%	0.015	30%	0.301	C	S	.	.	H	α-helix	trans	-68.1	-45.6	177	-71.3	163.8	173.9	-177.5	-3.4	111.8	L170 K171 Y176 F177 T178 Y300 I301 Y306 A309 D310	L170-R174 VanDerWaalsContact O-CB 3.23Å; L170-R174 WeakPolarHBondContact O-CB 3.11Å; L170-R174 VanDerWaalsContact O-CD 3.27Å; L170-R174 WeakPolarHBondContact O-CD 3.37Å; L170-R174 WeakPolarHBondContact O-CG 3.4Å; L170-R174 PolarHBondContact O-N 2.94Å; K171-R174 PolarHBondContact O-N 3.03Å; R174-Y176 VanDerWaalsContact C-N 3.31Å; R174-Y176 PolarHBondContact O-N 3.32Å; R174-F177 PolarHBondContact O-N 3.04Å; R174-T178 PolarHBondContact O-N 3.01Å; R174-T178 PolarHBondContact O-OG1 2.77Å; R174-T178 VanDerWaalsContact O-OG1 3.06Å; R174-Y300 PolarHBondContact NH1-O 3.45Å; R174-Y300 PolarHBondContact NH2-O 3.49Å; R174-Y300 VanDerWaalsContact NH2-O 3.12Å; R174-I301 PolarHBondContact NH2-O 3.12Å; R174-I301 VanDerWaalsContact NH2-O 3.07Å; R174-Y306 HydrophobicContact CB-CD1 3.64Å; R174-Y306 HydrophobicContact CB-CE1 3.96Å; R174-Y306 HydrophobicContact CB-CG 4.4Å; R174-Y306 VanDerWaalsContact CD-CD1 3.45Å; R174-Y306 HydrophobicContact CG-CD1 3.57Å; R174-Y306 HydrophobicContact CG-CE1 4.28Å; R174-Y306 HydrophobicContact CG-CG 3.84Å; R174-Y306 VanDerWaalsContact NE-CB 3.25Å; R174-A309 HydrophobicContact CB-CB 4.48Å; R174-A309 HydrophobicContact CG-CB 4.06Å; R174-D310 IonicContact CZ-OD1 3.98Å; R174-D310 IonicContact CZ-OD2 3.16Å; R174-D310 IonicContact NE-OD1 3.92Å; R174-D310 PolarHBondContact NE-OD1 3.36Å; R174-D310 IonicContact NE-OD2 2.7Å; R174-D310 IonicContact NH2-OD1 2.83Å; R174-D310 IonicContact NH2-OD2 2.9Å; R174-D310 PolarHBondContact NH2-OD2 3.33Å
175	E	96.4	Very high	92.5	Very high	111 Å²	111	61 Å²	61	52%	0.519	29%	0.289	S	S	.	.	H	α-helix	trans	-61.1	-41.1	174.5	-74.6	173.3	175.8	0	0	111.6	K171 T178 M179	K171-E175 WeakPolarHBondContact CE-OE1 3.47Å; K171-E175 HydrophobicContact CG-CG 4.47Å; K171-E175 WeakPolarHBondContact CG-OE1 3.41Å; K171-E175 WeakPolarHBondContact O-CB 3.43Å; K171-E175 VanDerWaalsContact O-CG 3.3Å; K171-E175 WeakPolarHBondContact O-CG 3.11Å; K171-E175 PolarHBondContact O-N 3.07Å; E175-T178 PolarHBondContact O-N 3.49Å; E175-M179 WeakPolarHBondContact O-CB 3.43Å; E175-M179 PolarHBondContact O-N 3.44Å
176	Y	96.4	Very high	92.1	Very high	83 Å²	83	60.1 Å²	60.1	33%	0.325	29%	0.286	S	S	.	.	H	α-helix	trans	-58.8	-50.3	174.7	173.9	-102.9	0	0	0	111.9	K172 D173 R174 T178 M179 L180 H254 Y312 M313	K172-Y176 VanDerWaalsContact O-CB 3.27Å; K172-Y176 WeakPolarHBondContact O-CB 3.27Å; K172-Y176 PolarHBondContact O-N 3.42Å; D173-Y176 WeakPolarHBondContact O-CB 3.38Å; D173-Y176 PolarHBondContact O-N 3.41Å; R174-Y176 VanDerWaalsContact C-N 3.31Å; R174-Y176 PolarHBondContact O-N 3.32Å; Y176-T178 PolarHBondContact O-N 3.14Å; Y176-M179 HydrophobicContact CD2-CE 3.95Å; Y176-M179 HydrophobicContact CE2-CE 4.29Å; Y176-M179 PolarHBondContact O-N 3.09Å; Y176-L180 HydrophobicContact CE1-CD2 4.39Å; Y176-L180 WeakPolarHBondContact O-CB 3.26Å; Y176-L180 PolarHBondContact O-N 3.31Å; Y176-H254 PolarHBondContact OH-CE1 3.18Å; Y176-H254 PolarHBondContact OH-NE2 3.03Å; Y176-Y312 HydrophobicContact CE1-CE1 4.47Å; Y176-M313 HydrophobicContact CD1-SD 4.16Å
177	F	96.8	Very high	91.3	Very high	9 Å²	9	62.4 Å²	62.4	4%	0.039	30%	0.299	C	S	.	.	H	α-helix	trans	-62.1	-43	176.8	175.9	-100.3	0	0	0	112.1	D173 R174 M179 L180 N181 L247 I250 Q308 A309 Y312	D173-F177 PolarHBondContact O-N 3.3Å; R174-F177 PolarHBondContact O-N 3.04Å; F177-M179 PolarHBondContact O-N 3.37Å; F177-L180 PolarHBondContact O-N 2.52Å; F177-N181 HydrophobicContact CE1-CB 4.38Å; F177-N181 HydrophobicContact CZ-CB 4.42Å; F177-N181 VanDerWaalsContact O-CB 3.28Å; F177-N181 WeakPolarHBondContact O-CB 3.03Å; F177-N181 PolarHBondContact O-N 3.22Å; F177-L247 HydrophobicContact CE2-CD2 3.74Å; F177-L247 HydrophobicContact CZ-CD2 3.67Å; F177-I250 HydrophobicContact CE2-CD1 4.04Å; F177-I250 HydrophobicContact CE2-CG2 4.37Å; F177-I250 HydrophobicContact CZ-CD1 4.06Å; F177-Q308 HydrophobicContact CE1-CB 3.89Å; F177-Q308 HydrophobicContact CZ-CB 3.98Å; F177-A309 HydrophobicContact CB-CB 3.78Å; F177-A309 VanDerWaalsContact CD1-CA 3.5Å; F177-A309 HydrophobicContact CD1-CB 3.48Å; F177-A309 VanDerWaalsContact CD1-CB 3.48Å; F177-A309 HydrophobicContact CE1-CB 4.26Å; F177-A309 HydrophobicContact CG-CB 3.77Å; F177-Y312 AromaticContact CD2-CD1 3.56Å; F177-Y312 HydrophobicContact CD2-CD1 3.56Å; F177-Y312 HydrophobicContact CD2-CD2 4.07Å; F177-Y312 HydrophobicContact CD2-CE1 4.28Å; F177-Y312 AromaticContact CD2-CG 3.44Å; F177-Y312 HydrophobicContact CD2-CG 3.44Å; F177-Y312 VanDerWaalsContact CD2-CG 3.44Å; F177-Y312 HydrophobicContact CE2-CD1 4.19Å; F177-Y312 AromaticContact CE2-CD2 3.85Å; F177-Y312 HydrophobicContact CE2-CD2 3.85Å; F177-Y312 AromaticContact CE2-CG 3.59Å; F177-Y312 HydrophobicContact CE2-CG 3.59Å
178	T	94.9	Very high	90.6	Very high	62 Å²	62	59.9 Å²	59.9	38%	0.38	28%	0.281	S	S	.	.	H	α-helix	trans	-59.2	-47.4	177.3	-62	0	0	0	0	111.3	R174 E175 Y176 L180 N181 C182	R174-T178 PolarHBondContact O-N 3.01Å; R174-T178 PolarHBondContact O-OG1 2.77Å; R174-T178 VanDerWaalsContact O-OG1 3.06Å; E175-T178 PolarHBondContact O-N 3.49Å; Y176-T178 PolarHBondContact O-N 3.14Å; T178-L180 VanDerWaalsContact C-N 3.33Å; T178-L180 PolarHBondContact O-N 2.83Å; T178-N181 PolarHBondContact O-N 2.97Å; T178-C182 WeakPolarHBondContact O-CB 3.41Å; T178-C182 PolarHBondContact O-N 2.77Å; T178-C182 PolarHBondContact O-SG 3.29Å
179	M	93.7	Very high	89.6	Confident	96 Å²	96	58.6 Å²	58.6	47%	0.473	28%	0.277	S	S	.	.	H	α-helix	trans	-58.7	-45.7	175.8	177.8	-171.2	62.7	0	0	111.3	E175 Y176 F177 C182 R183	E175-M179 WeakPolarHBondContact O-CB 3.43Å; E175-M179 PolarHBondContact O-N 3.44Å; Y176-M179 HydrophobicContact CD2-CE 3.95Å; Y176-M179 HydrophobicContact CE2-CE 4.29Å; Y176-M179 PolarHBondContact O-N 3.09Å; F177-M179 PolarHBondContact O-N 3.37Å; M179-C182 PolarHBondContact O-N 3Å; M179-R183 WeakPolarHBondContact O-CB 3.35Å; M179-R183 PolarHBondContact O-N 3.15Å; M179-R183 VanDerWaalsContact O-N 3.07Å
180	L	93	Very high	88.5	Confident	8 Å²	8	60.1 Å²	60.1	4%	0.042	29%	0.287	C	S	.	.	H	α-helix	trans	-62.5	-47	-179.9	-178	62.5	0	0	0	111.7	Y176 F177 T178 C182 R183 I184 I250 H254 Y312	Y176-L180 HydrophobicContact CE1-CD2 4.39Å; Y176-L180 WeakPolarHBondContact O-CB 3.26Å; Y176-L180 PolarHBondContact O-N 3.31Å; F177-L180 PolarHBondContact O-N 2.52Å; T178-L180 VanDerWaalsContact C-N 3.33Å; T178-L180 PolarHBondContact O-N 2.83Å; L180-C182 PolarHBondContact O-N 2.99Å; L180-R183 PolarHBondContact O-N 3.48Å; L180-I184 HydrophobicContact CD1-CD1 3.49Å; L180-I184 VanDerWaalsContact CD1-CD1 3.49Å; L180-I184 HydrophobicContact CD1-CG1 4.23Å; L180-I184 HydrophobicContact CG-CD1 3.87Å; L180-I184 PolarHBondContact O-N 3.36Å; L180-I250 HydrophobicContact CD2-CG2 3.76Å; L180-I250 HydrophobicContact CG-CG2 3.95Å; L180-H254 HydrophobicContact CD1-CB 4Å; L180-H254 WeakPolarHBondContact CD1-CD2 3.31Å; L180-H254 HydrophobicContact CD2-CB 4Å; L180-Y312 HydrophobicContact CD2-CE1 3.82Å; L180-Y312 HydrophobicContact CD2-CE2 4.4Å; L180-Y312 VanDerWaalsContact CD2-OH 3.23Å; L180-Y312 WeakPolarHBondContact CD2-OH 3.27Å
181	N	92.7	Very high	87	Confident	28 Å²	28	63.4 Å²	63.4	15%	0.15	31%	0.305	C	S	.	.	H	α-helix	trans	-60.9	-45.2	178.8	-172.8	28	0	0	0	111.4	F177 T178 R183 I184 N185 I250	F177-N181 HydrophobicContact CE1-CB 4.38Å; F177-N181 HydrophobicContact CZ-CB 4.42Å; F177-N181 VanDerWaalsContact O-CB 3.28Å; F177-N181 WeakPolarHBondContact O-CB 3.03Å; F177-N181 PolarHBondContact O-N 3.22Å; T178-N181 PolarHBondContact O-N 2.97Å; N181-R183 VanDerWaalsContact C-N 3.3Å; N181-R183 PolarHBondContact O-N 3.41Å; N181-I184 PolarHBondContact O-N 3.3Å; N181-N185 WeakPolarHBondContact O-CB 3.48Å; N181-N185 PolarHBondContact O-N 3.01Å; N181-N185 PolarHBondContact OD1-ND2 3.28Å; N181-I250 HydrophobicContact CB-CD1 4.3Å; N181-I250 WeakPolarHBondContact OD1-CD1 3.24Å
182	C	88.3	Confident	85.3	Confident	54 Å²	54	67.8 Å²	67.8	37%	0.365	33%	0.327	S	S	.	.	H	α-helix	trans	-62.2	-35	176	-71.1	0	0	0	0	113	T178 M179 L180	T178-C182 WeakPolarHBondContact O-CB 3.41Å; T178-C182 PolarHBondContact O-N 2.77Å; T178-C182 PolarHBondContact O-SG 3.29Å; M179-C182 PolarHBondContact O-N 3Å; L180-C182 PolarHBondContact O-N 2.99Å
183	R	87.1	Confident	83.6	Confident	159 Å²	159	63.6 Å²	63.6	60%	0.6	31%	0.31	S	S	*	.	H	α-helix	trans	-73.8	-36.7	178.7	-178.5	-179.1	-71.5	171.4	-1.4	112.8	M179 L180 N181 I186	M179-R183 WeakPolarHBondContact O-CB 3.35Å; M179-R183 PolarHBondContact O-N 3.15Å; M179-R183 VanDerWaalsContact O-N 3.07Å; L180-R183 PolarHBondContact O-N 3.48Å; N181-R183 VanDerWaalsContact C-N 3.3Å; N181-R183 PolarHBondContact O-N 3.41Å; R183-I186 VanDerWaalsContact O-CD1 3.28Å; R183-I186 WeakPolarHBondContact O-CD1 3.24Å; R183-I186 WeakPolarHBondContact O-CG1 3.4Å
184	I	87.1	Confident	81.9	Confident	12 Å²	12	71.6 Å²	71.6	6%	0.062	34%	0.344	C	S	.	.	H	α-helix	trans	-87.9	-48.7	-174.3	-70.4	173.5	0	0	0	111.4	L180 N181 I186 Y249 I250 E253 H254	L180-I184 HydrophobicContact CD1-CD1 3.49Å; L180-I184 VanDerWaalsContact CD1-CD1 3.49Å; L180-I184 HydrophobicContact CD1-CG1 4.23Å; L180-I184 HydrophobicContact CG-CD1 3.87Å; L180-I184 PolarHBondContact O-N 3.36Å; N181-I184 PolarHBondContact O-N 3.3Å; I184-I186 PolarHBondContact O-N 3.33Å; I184-Y249 HydrophobicContact CG2-CD1 3.98Å; I184-Y249 HydrophobicContact CG2-CE1 3.45Å; I184-Y249 VanDerWaalsContact CG2-CE1 3.45Å; I184-I250 HydrophobicContact CD1-CG2 4.09Å; I184-I250 WeakPolarHBondContact CD1-O 3.5Å; I184-I250 HydrophobicContact CG2-CG1 4.39Å; I184-E253 HydrophobicContact CB-CG 4.4Å; I184-E253 HydrophobicContact CD1-CB 3.98Å; I184-E253 HydrophobicContact CD1-CG 3.92Å; I184-E253 HydrophobicContact CG1-CB 4.34Å; I184-E253 HydrophobicContact CG1-CG 3.79Å; I184-E253 HydrophobicContact CG2-CB 4.02Å; I184-E253 HydrophobicContact CG2-CG 3.86Å; I184-H254 HydrophobicContact CD1-CB 4.09Å
185	N	83.8	Confident	80.1	Confident	50 Å²	50	76.8 Å²	76.8	27%	0.267	38%	0.381	S	S	.	.			trans	-86.1	55.3	-178.2	-74.6	-47.5	0	0	0	111.5	N181 N187 K218	N181-N185 WeakPolarHBondContact O-CB 3.48Å; N181-N185 PolarHBondContact O-N 3.01Å; N181-N185 PolarHBondContact OD1-ND2 3.28Å; N185-N187 PolarHBondContact O-N 3.36Å; N185-K218 PolarHBondContact OD1-NZ 3.21Å
186	I	77.7	Confident	78.7	Confident	58 Å²	58	77.7 Å²	77.7	30%	0.297	39%	0.389	S	S	.	.			trans	-76	115.4	172.3	-60.5	170.6	0	0	0	108.2	R183 I184 P188 N191 L207	R183-I186 VanDerWaalsContact O-CD1 3.28Å; R183-I186 WeakPolarHBondContact O-CD1 3.24Å; R183-I186 WeakPolarHBondContact O-CG1 3.4Å; I184-I186 PolarHBondContact O-N 3.33Å; I186-P188 WeakPolarHBondContact O-CD 3.48Å; I186-N191 WeakPolarHBondContact CG2-ND2 3.45Å; I186-L207 HydrophobicContact CD1-CD2 4.49Å; I186-L207 HydrophobicContact CG2-CD2 4.14Å
187	N	73.8	Confident	77.6	Confident	54 Å²	54	75.2 Å²	75.2	29%	0.289	38%	0.382	S	S	.	.			trans	-90	112	171.8	-170.5	-17.2	0	0	0	109.3	N185 H189 N190	N185-N187 PolarHBondContact O-N 3.36Å; N187-H189 PolarHBondContact O-N 3.03Å; N187-H189 VanDerWaalsContact O-N 3.15Å; N187-H189 VanDerWaalsContact OD1-CB 3.29Å; N187-H189 WeakPolarHBondContact OD1-CB 3.24Å; N187-H189 PolarHBondContact OD1-CD2 3.11Å; N187-H189 PolarHBondContact OD1-N 2.93Å; N187-N190 PolarHBondContact O-N 3.18Å
188	P	74.4	Confident	76.6	Confident	0 Å²	0	79 Å²	79	0%	0	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-56.6	-30.8	178.9	22.7	-32.2	0	0	0	111.9	I186 N190 N191 I193 L207 W208 Y211	I186-P188 WeakPolarHBondContact O-CD 3.48Å; P188-N190 PolarHBondContact O-N 3.34Å; P188-N190 VanDerWaalsContact O-N 3.13Å; P188-N191 PolarHBondContact O-N 2.7Å; P188-I193 HydrophobicContact CB-CD1 3.93Å; P188-I193 WeakPolarHBondContact O-CD1 3.42Å; P188-I193 VanDerWaalsContact O-CG1 3.31Å; P188-I193 WeakPolarHBondContact O-CG1 3.28Å; P188-L207 HydrophobicContact CB-CB 4.19Å; P188-W208 HydrophobicContact CB-CD2 3.89Å; P188-W208 HydrophobicContact CB-CE3 4.24Å; P188-W208 HydrophobicContact CB-CG 4.34Å; P188-W208 HydrophobicContact CB-CH2 4.36Å; P188-W208 HydrophobicContact CB-CZ2 4.01Å; P188-W208 HydrophobicContact CB-CZ3 4.46Å; P188-W208 HydrophobicContact CG-CD2 3.89Å; P188-W208 HydrophobicContact CG-CE3 3.74Å; P188-W208 HydrophobicContact CG-CH2 4.19Å; P188-W208 HydrophobicContact CG-CZ2 4.32Å; P188-W208 HydrophobicContact CG-CZ3 3.89Å; P188-Y211 VanDerWaalsContact CD-CD2 3.45Å; P188-Y211 HydrophobicContact CG-CD1 4.12Å; P188-Y211 HydrophobicContact CG-CD2 4.01Å; P188-Y211 HydrophobicContact CG-CG 3.69Å
189	H	72.3	Confident	75.7	Confident	120 Å²	120	78.9 Å²	78.9	56%	0.556	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-60.1	-25.7	177.5	-65.7	-75.5	0	0	0	114.5	N187 W208	N187-H189 PolarHBondContact O-N 3.03Å; N187-H189 VanDerWaalsContact O-N 3.15Å; N187-H189 VanDerWaalsContact OD1-CB 3.29Å; N187-H189 WeakPolarHBondContact OD1-CB 3.24Å; N187-H189 PolarHBondContact OD1-CD2 3.11Å; N187-H189 PolarHBondContact OD1-N 2.93Å; H189-W208 AromaticContact CE1-CH2 3.42Å; H189-W208 VanDerWaalsContact CE1-CH2 3.42Å; H189-W208 WeakPolarHBondContact CE1-CH2 3.39Å; H189-W208 AromaticContact CE1-CZ3 3.88Å; H189-W208 AromaticContact ND1-CH2 3.69Å; H189-W208 AromaticContact NE2-CH2 3.76Å; H189-W208 AromaticContact NE2-CZ3 3.8Å
190	N	69.9	Low	74.8	Confident	91 Å²	91	80.8 Å²	80.8	49%	0.487	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-102.8	-0.7	-171.6	-71.7	-8.9	0	0	0	113.9	K25 N187 P188	K25-N190 PolarHBondContact NZ-O 2.83Å; N187-N190 PolarHBondContact O-N 3.18Å; P188-N190 PolarHBondContact O-N 3.34Å; P188-N190 VanDerWaalsContact O-N 3.13Å
191	N	64.2	Low	73.8	Confident	72 Å²	72	80.9 Å²	80.9	39%	0.385	41%	0.412	S	S	.	.	S	Bend	trans	-105.2	141.1	177.1	-72.5	-7.4	0	0	0	108.1	I186 P188 I193	I186-N191 WeakPolarHBondContact CG2-ND2 3.45Å; P188-N191 PolarHBondContact O-N 2.7Å; N191-I193 HydrophobicContact CB-CG1 4.38Å; N191-I193 WeakPolarHBondContact O-CG1 3.25Å; N191-I193 PolarHBondContact O-N 3.25Å
192	H	59.9	Low	72.7	Confident	203 Å²	203	89.9 Å²	89.9	94%	0.94	45%	0.446	S	S	*	.			trans	-68.1	81.2	161.9	-70.1	-73.7	0	0	0	106.6	K194	H192-K194 PolarHBondContact O-N 2.98Å
193	I	59.4	Low	71.6	Confident	46 Å²	46	90.2 Å²	90.2	24%	0.236	45%	0.448	C	S	.	.			trans	-59.4	138.9	-179.2	-58.1	155.5	0	0	0	107	P188 N191 S195 D197 W208	P188-I193 HydrophobicContact CB-CD1 3.93Å; P188-I193 WeakPolarHBondContact O-CD1 3.42Å; P188-I193 VanDerWaalsContact O-CG1 3.31Å; P188-I193 WeakPolarHBondContact O-CG1 3.28Å; N191-I193 HydrophobicContact CB-CG1 4.38Å; N191-I193 WeakPolarHBondContact O-CG1 3.25Å; N191-I193 PolarHBondContact O-N 3.25Å; I193-S195 PolarHBondContact O-N 3.34Å; I193-D197 HydrophobicContact CG2-CB 3.4Å; I193-D197 VanDerWaalsContact CG2-CB 3.4Å; I193-D197 WeakPolarHBondContact CG2-O 3.11Å; I193-W208 HydrophobicContact CD1-CZ2 4Å
194	K	60	Low	70.3	Confident	183 Å²	183	91.2 Å²	91.2	80%	0.796	45%	0.452	S	S	*	.			trans	-48.2	140.6	169.2	-65.8	-179	177.8	-177.4	0	108.2	H192 D196 D197	H192-K194 PolarHBondContact O-N 2.98Å; K194-D196 PolarHBondContact O-N 2.9Å; K194-D197 PolarHBondContact O-N 3.24Å
195	S	61	Low	69.5	Low	113 Å²	113	96.5 Å²	96.5	79%	0.79	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.5	-28.6	-174.5	49.8	0	0	0	0	114.7	I193	I193-S195 PolarHBondContact O-N 3.34Å
196	D	66.8	Low	69.3	Low	130 Å²	130	94.3 Å²	94.3	70%	0.695	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-5.2	-169.3	-49.7	-14.1	0	0	0	113.7	K194 H198	K194-D196 PolarHBondContact O-N 2.9Å; D196-H198 PolarHBondContact O-CD2 2.83Å
197	D	72	Confident	69.4	Low	31 Å²	31	93.9 Å²	93.9	17%	0.166	47%	0.472	C	S	.	.			trans	-101.1	99	179.9	-179.1	20.2	0	0	0	111.1	I193 K194 S201 S206 L207 W208	I193-D197 HydrophobicContact CG2-CB 3.4Å; I193-D197 VanDerWaalsContact CG2-CB 3.4Å; I193-D197 WeakPolarHBondContact CG2-O 3.11Å; K194-D197 PolarHBondContact O-N 3.24Å; D197-S201 PolarHBondContact OD1-OG 3.27Å; D197-S206 WeakPolarHBondContact OD1-CA 3.41Å; D197-S206 WeakPolarHBondContact OD1-CB 3.32Å; D197-S206 PolarHBondContact OD1-OG 3.41Å; D197-L207 WeakPolarHBondContact OD2-CB 3.3Å; D197-L207 WeakPolarHBondContact OD2-CG 3.11Å; D197-L207 PolarHBondContact OD2-N 3.35Å; D197-W208 PolarHBondContact O-NE1 3.26Å
198	H	76.6	Confident	69.7	Low	90 Å²	90	92.4 Å²	92.4	42%	0.417	46%	0.462	S	S	.	.			trans	-121.7	164.8	-173.8	61.6	88.4	0	0	0	111.5	D196 L200 S201	D196-H198 PolarHBondContact O-CD2 2.83Å; H198-L200 PolarHBondContact ND1-N 2.89Å; H198-L200 PolarHBondContact O-N 3.37Å; H198-S201 PolarHBondContact CE1-N 3.13Å; H198-S201 PolarHBondContact ND1-N 2.99Å; H198-S201 VanDerWaalsContact O-CB 3.26Å; H198-S201 WeakPolarHBondContact O-CB 3.43Å; H198-S201 PolarHBondContact O-N 2.82Å; H198-S201 PolarHBondContact O-OG 3.42Å
199	P	76.6	Confident	70	Confident	59 Å²	59	94.8 Å²	94.8	38%	0.383	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-20.8	-178	-26.2	32.7	0	0	0	115.7	W208 F212	P199-W208 HydrophobicContact CB-CD2 4.01Å; P199-W208 HydrophobicContact CB-CE3 3.99Å; P199-W208 HydrophobicContact CB-CG 4.39Å; P199-W208 HydrophobicContact CB-CZ3 4.39Å; P199-W208 HydrophobicContact CG-CD2 3.69Å; P199-W208 HydrophobicContact CG-CE3 3.84Å; P199-W208 HydrophobicContact CG-CG 4.35Å; P199-W208 HydrophobicContact CG-CH2 3.84Å; P199-W208 HydrophobicContact CG-CZ2 3.71Å; P199-W208 HydrophobicContact CG-CZ3 3.92Å; P199-F212 HydrophobicContact CB-CE2 4.2Å; P199-F212 HydrophobicContact CB-CZ 4.13Å; P199-F212 VanDerWaalsContact O-CE2 3.28Å; P199-F212 WeakPolarHBondContact O-CE2 3.44Å
200	L	74.4	Confident	70.5	Confident	135 Å²	135	93 Å²	93	71%	0.707	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	7.5	-179.8	-57.8	173.5	0	0	0	112.3	H198 Y202	H198-L200 PolarHBondContact ND1-N 2.89Å; H198-L200 PolarHBondContact O-N 3.37Å; L200-Y202 PolarHBondContact O-N 3.38Å
201	S	71.9	Confident	71.2	Confident	10 Å²	10	91.1 Å²	91.1	7%	0.07	45%	0.452	C	S	.	.			trans	-70.1	130.9	-176	64.6	0	0	0	0	109.9	D197 H198 S203 S206 N209	D197-S201 PolarHBondContact OD1-OG 3.27Å; H198-S201 PolarHBondContact CE1-N 3.13Å; H198-S201 PolarHBondContact ND1-N 2.99Å; H198-S201 VanDerWaalsContact O-CB 3.26Å; H198-S201 WeakPolarHBondContact O-CB 3.43Å; H198-S201 PolarHBondContact O-N 2.82Å; H198-S201 PolarHBondContact O-OG 3.42Å; S201-S203 PolarHBondContact O-N 3.08Å; S201-S206 WeakPolarHBondContact OG-CB 3.45Å; S201-S206 PolarHBondContact OG-OG 3.05Å; S201-N209 PolarHBondContact O-ND2 3.39Å; S201-N209 PolarHBondContact O-OD1 3.13Å
202	Y	68.7	Low	72.2	Confident	218 Å²	218	92.1 Å²	92.1	86%	0.855	45%	0.453	S	S	*	.			trans	-80.3	-5.8	179.3	-61.9	-79.8	0	0	0	112.7	L200 R204	L200-Y202 PolarHBondContact O-N 3.38Å; Y202-R204 PolarHBondContact O-N 3.03Å
203	S	65.6	Low	73.4	Confident	60 Å²	60	84.8 Å²	84.8	42%	0.42	42%	0.417	S	S	.	.			trans	-66.8	127.7	-176.1	-178.9	0	0	0	0	111.3	S201 T205 S206 N209	S201-S203 PolarHBondContact O-N 3.08Å; S203-T205 PolarHBondContact O-N 3.31Å; S203-T205 VanDerWaalsContact O-N 3.12Å; S203-T205 PolarHBondContact OG-N 3.19Å; S203-T205 PolarHBondContact OG-OG1 3.06Å; S203-S206 WeakPolarHBondContact O-CB 3.44Å; S203-S206 PolarHBondContact O-N 3.41Å; S203-N209 PolarHBondContact O-ND2 3.41Å
204	R	60.7	Low	74.8	Confident	181 Å²	181	83 Å²	83	68%	0.683	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-23.2	175.6	-68.4	-179.4	176.3	172.7	-3.1	113.2	Y202 S206 D337	Y202-R204 PolarHBondContact O-N 3.03Å; R204-S206 VanDerWaalsContact C-N 3.33Å; R204-D337 IonicContact CZ-OD1 3.56Å; R204-D337 IonicContact CZ-OD2 2.68Å; R204-D337 IonicContact NE-OD1 3.3Å; R204-D337 IonicContact NH2-OD1 3.41Å; R204-D337 PolarHBondContact NH2-OD1 3.35Å; R204-D337 IonicContact NH2-OD2 3.5Å; R204-D337 PolarHBondContact NH2-OD2 2.96Å
205	T	70.4	Confident	76.2	Confident	122 Å²	122	76.9 Å²	76.9	75%	0.748	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	2	178.7	64.4	0	0	0	0	112.9	S203 L207	S203-T205 PolarHBondContact O-N 3.31Å; S203-T205 VanDerWaalsContact O-N 3.12Å; S203-T205 PolarHBondContact OG-N 3.19Å; S203-T205 PolarHBondContact OG-OG1 3.06Å; T205-L207 PolarHBondContact O-N 3.47Å
206	S	78.3	Confident	77.6	Confident	4 Å²	4	75.1 Å²	75.1	3%	0.028	36%	0.363	C	S	.	.			trans	-62.1	132.4	177	167.4	0	0	0	0	111.3	D197 S201 S203 R204 W208 N209 K210	D197-S206 WeakPolarHBondContact OD1-CA 3.41Å; D197-S206 WeakPolarHBondContact OD1-CB 3.32Å; D197-S206 PolarHBondContact OD1-OG 3.41Å; S201-S206 WeakPolarHBondContact OG-CB 3.45Å; S201-S206 PolarHBondContact OG-OG 3.05Å; S203-S206 WeakPolarHBondContact O-CB 3.44Å; S203-S206 PolarHBondContact O-N 3.41Å; R204-S206 VanDerWaalsContact C-N 3.33Å; S206-W208 PolarHBondContact O-N 3.32Å; S206-W208 WeakPolarHBondContact OG-CB 3.22Å; S206-W208 PolarHBondContact OG-N 3.32Å; S206-N209 PolarHBondContact O-N 2.97Å; S206-N209 PolarHBondContact OG-N 3.45Å; S206-K210 PolarHBondContact O-N 2.95Å; S206-K210 VanDerWaalsContact O-N 3.15Å
207	L	79.8	Confident	78.8	Confident	49 Å²	49	69.7 Å²	69.7	26%	0.257	33%	0.334	S	S	.	.	H	α-helix	trans	-61.4	-32.4	170.7	-65.7	177.5	0	0	0	111.2	I186 P188 D197 T205 K210 Y211	I186-L207 HydrophobicContact CD1-CD2 4.49Å; I186-L207 HydrophobicContact CG2-CD2 4.14Å; P188-L207 HydrophobicContact CB-CB 4.19Å; D197-L207 WeakPolarHBondContact OD2-CB 3.3Å; D197-L207 WeakPolarHBondContact OD2-CG 3.11Å; D197-L207 PolarHBondContact OD2-N 3.35Å; T205-L207 PolarHBondContact O-N 3.47Å; L207-K210 PolarHBondContact O-N 3.44Å; L207-Y211 VanDerWaalsContact O-CB 3.25Å; L207-Y211 WeakPolarHBondContact O-CB 3.42Å; L207-Y211 PolarHBondContact O-N 2.68Å
208	W	81.4	Confident	79.9	Confident	23 Å²	23	70 Å²	70	9%	0.087	34%	0.335	C	S	.	.	H	α-helix	trans	-68.1	-43.7	176	-69.9	99.4	0	0	0	112.6	P188 H189 I193 D197 P199 S206 K210 Y211 F212	P188-W208 HydrophobicContact CB-CD2 3.89Å; P188-W208 HydrophobicContact CB-CE3 4.24Å; P188-W208 HydrophobicContact CB-CG 4.34Å; P188-W208 HydrophobicContact CB-CH2 4.36Å; P188-W208 HydrophobicContact CB-CZ2 4.01Å; P188-W208 HydrophobicContact CB-CZ3 4.46Å; P188-W208 HydrophobicContact CG-CD2 3.89Å; P188-W208 HydrophobicContact CG-CE3 3.74Å; P188-W208 HydrophobicContact CG-CH2 4.19Å; P188-W208 HydrophobicContact CG-CZ2 4.32Å; P188-W208 HydrophobicContact CG-CZ3 3.89Å; H189-W208 AromaticContact CE1-CH2 3.42Å; H189-W208 VanDerWaalsContact CE1-CH2 3.42Å; H189-W208 WeakPolarHBondContact CE1-CH2 3.39Å; H189-W208 AromaticContact CE1-CZ3 3.88Å; H189-W208 AromaticContact ND1-CH2 3.69Å; H189-W208 AromaticContact NE2-CH2 3.76Å; H189-W208 AromaticContact NE2-CZ3 3.8Å; I193-W208 HydrophobicContact CD1-CZ2 4Å; D197-W208 PolarHBondContact O-NE1 3.26Å; P199-W208 HydrophobicContact CB-CD2 4.01Å; P199-W208 HydrophobicContact CB-CE3 3.99Å; P199-W208 HydrophobicContact CB-CG 4.39Å; P199-W208 HydrophobicContact CB-CZ3 4.39Å; P199-W208 HydrophobicContact CG-CD2 3.69Å; P199-W208 HydrophobicContact CG-CE3 3.84Å; P199-W208 HydrophobicContact CG-CG 4.35Å; P199-W208 HydrophobicContact CG-CH2 3.84Å; P199-W208 HydrophobicContact CG-CZ2 3.71Å; P199-W208 HydrophobicContact CG-CZ3 3.92Å; S206-W208 PolarHBondContact O-N 3.32Å; S206-W208 WeakPolarHBondContact OG-CB 3.22Å; S206-W208 PolarHBondContact OG-N 3.32Å; W208-K210 VanDerWaalsContact C-N 3.29Å; W208-K210 PolarHBondContact O-N 3.36Å; W208-Y211 HydrophobicContact CE3-CD1 4.31Å; W208-Y211 HydrophobicContact CZ3-CD1 4.48Å; W208-Y211 CarbonylContact O-C 3.58Å; W208-Y211 WeakPolarHBondContact O-CB 3.07Å; W208-Y211 PolarHBondContact O-N 3.5Å; W208-Y211 VanDerWaalsContact O-N 3.13Å; W208-F212 HydrophobicContact CB-CD2 4.38Å; W208-F212 HydrophobicContact CB-CE2 4.03Å; W208-F212 HydrophobicContact CE3-CE2 4.09Å; W208-F212 AromaticContact CE3-CZ 3.98Å; W208-F212 HydrophobicContact CE3-CZ 3.98Å; W208-F212 WeakPolarHBondContact O-CD2 3.29Å; W208-F212 PolarHBondContact O-N 2.61Å
209	N	80	Confident	80.7	Confident	51 Å²	51	72.9 Å²	72.9	27%	0.273	34%	0.342	S	S	.	.	H	α-helix	trans	-61.3	-41.5	175.5	-77.9	-29.7	0	0	0	111.5	S201 S203 S206 Y211 Y213	S201-N209 PolarHBondContact O-ND2 3.39Å; S201-N209 PolarHBondContact O-OD1 3.13Å; S203-N209 PolarHBondContact O-ND2 3.41Å; S206-N209 PolarHBondContact O-N 2.97Å; S206-N209 PolarHBondContact OG-N 3.45Å; N209-Y211 VanDerWaalsContact C-N 3.34Å; N209-Y213 WeakPolarHBondContact O-CB 3.45Å; N209-Y213 PolarHBondContact O-N 3.3Å
210	K	82.6	Confident	81.6	Confident	81 Å²	81	74.2 Å²	74.2	35%	0.352	35%	0.345	S	S	.	.	H	α-helix	trans	-63.1	-41.4	173.7	-162.4	174.1	-175.6	170.1	0	111.7	S206 L207 W208 Y213 S214 E253	S206-K210 PolarHBondContact O-N 2.95Å; S206-K210 VanDerWaalsContact O-N 3.15Å; L207-K210 PolarHBondContact O-N 3.44Å; W208-K210 VanDerWaalsContact C-N 3.29Å; W208-K210 PolarHBondContact O-N 3.36Å; K210-Y213 PolarHBondContact O-N 3.28Å; K210-S214 WeakPolarHBondContact O-CB 3.35Å; K210-S214 PolarHBondContact O-N 3.44Å; K210-E253 WeakPolarHBondContact CE-OE1 3.3Å; K210-E253 IonicContact NZ-OE1 3.02Å; K210-E253 PolarHBondContact NZ-OE1 3.28Å
211	Y	84.3	Confident	82.6	Confident	53 Å²	53	67.8 Å²	67.8	21%	0.208	31%	0.312	C	S	.	.	H	α-helix	trans	-63.6	-48	176.9	179.4	-102	0	0	0	112.7	P188 L207 W208 N209 Y213 S214 L215	P188-Y211 VanDerWaalsContact CD-CD2 3.45Å; P188-Y211 HydrophobicContact CG-CD1 4.12Å; P188-Y211 HydrophobicContact CG-CD2 4.01Å; P188-Y211 HydrophobicContact CG-CG 3.69Å; L207-Y211 VanDerWaalsContact O-CB 3.25Å; L207-Y211 WeakPolarHBondContact O-CB 3.42Å; L207-Y211 PolarHBondContact O-N 2.68Å; W208-Y211 HydrophobicContact CE3-CD1 4.31Å; W208-Y211 HydrophobicContact CZ3-CD1 4.48Å; W208-Y211 CarbonylContact O-C 3.58Å; W208-Y211 WeakPolarHBondContact O-CB 3.07Å; W208-Y211 PolarHBondContact O-N 3.5Å; W208-Y211 VanDerWaalsContact O-N 3.13Å; N209-Y211 VanDerWaalsContact C-N 3.34Å; Y211-Y213 VanDerWaalsContact C-N 3.32Å; Y211-Y213 PolarHBondContact O-N 3.28Å; Y211-S214 WeakPolarHBondContact O-CB 3.48Å; Y211-S214 PolarHBondContact O-N 3Å; Y211-S214 VanDerWaalsContact O-N 3.13Å; Y211-S214 PolarHBondContact O-OG 2.82Å; Y211-L215 HydrophobicContact CD1-CD1 4.07Å; Y211-L215 HydrophobicContact CE1-CD1 3.5Å; Y211-L215 HydrophobicContact CE1-CG 4.15Å; Y211-L215 PolarHBondContact O-N 2.97Å
212	F	85.7	Confident	83.8	Confident	93 Å²	93	67.7 Å²	67.7	41%	0.408	31%	0.311	S	S	.	.	H	α-helix	trans	-64.9	-36.5	177.2	-67.9	-55.9	0	0	0	112.5	P199 W208 L215 K216	P199-F212 HydrophobicContact CB-CE2 4.2Å; P199-F212 HydrophobicContact CB-CZ 4.13Å; P199-F212 VanDerWaalsContact O-CE2 3.28Å; P199-F212 WeakPolarHBondContact O-CE2 3.44Å; W208-F212 HydrophobicContact CB-CD2 4.38Å; W208-F212 HydrophobicContact CB-CE2 4.03Å; W208-F212 HydrophobicContact CE3-CE2 4.09Å; W208-F212 AromaticContact CE3-CZ 3.98Å; W208-F212 HydrophobicContact CE3-CZ 3.98Å; W208-F212 WeakPolarHBondContact O-CD2 3.29Å; W208-F212 PolarHBondContact O-N 2.61Å; F212-L215 HydrophobicContact CD1-CD1 4.39Å; F212-L215 PolarHBondContact O-N 3.5Å; F212-K216 PolarHBondContact O-N 3.04Å; F212-K216 VanDerWaalsContact O-N 3.08Å
213	Y	86	Confident	85.1	Confident	48 Å²	48	64.4 Å²	64.4	19%	0.188	30%	0.301	C	S	.	.	H	α-helix	trans	-60.6	-46.5	170.7	-179.5	-105	0	0	0	111.4	N209 K210 Y211 L215 K216 V217 L331 H336	N209-Y213 WeakPolarHBondContact O-CB 3.45Å; N209-Y213 PolarHBondContact O-N 3.3Å; K210-Y213 PolarHBondContact O-N 3.28Å; Y211-Y213 VanDerWaalsContact C-N 3.32Å; Y211-Y213 PolarHBondContact O-N 3.28Å; Y213-L215 VanDerWaalsContact C-N 3.3Å; Y213-L215 PolarHBondContact O-N 3.42Å; Y213-K216 WeakPolarHBondContact O-CB 3.38Å; Y213-K216 PolarHBondContact O-N 3.28Å; Y213-V217 HydrophobicContact CD1-CG2 4.26Å; Y213-V217 HydrophobicContact CE1-CG2 3.75Å; Y213-V217 HydrophobicContact CE2-CG2 4.05Å; Y213-V217 PolarHBondContact O-N 3.38Å; Y213-L331 HydrophobicContact CE1-CD2 4.28Å; Y213-L331 WeakPolarHBondContact OH-CD2 3.38Å; Y213-H336 AromaticContact CD2-CE1 3.39Å; Y213-H336 WeakPolarHBondContact CD2-CE1 3.22Å; Y213-H336 AromaticContact CE2-CE1 3.54Å; Y213-H336 AromaticContact CG-CE1 3.67Å; Y213-H336 AromaticContact CZ-CE1 3.95Å
214	S	88.5	Confident	86.6	Confident	10 Å²	10	62.1 Å²	62.1	7%	0.07	29%	0.285	C	S	.	.	H	α-helix	trans	-55.7	-44.4	176.6	84	0	0	0	0	111.8	K210 Y211 K216 V217 K218 Y249	K210-S214 WeakPolarHBondContact O-CB 3.35Å; K210-S214 PolarHBondContact O-N 3.44Å; Y211-S214 WeakPolarHBondContact O-CB 3.48Å; Y211-S214 PolarHBondContact O-N 3Å; Y211-S214 VanDerWaalsContact O-N 3.13Å; Y211-S214 PolarHBondContact O-OG 2.82Å; S214-K216 VanDerWaalsContact C-N 3.33Å; S214-K216 PolarHBondContact O-N 3.43Å; S214-V217 PolarHBondContact O-N 2.97Å; S214-K218 WeakPolarHBondContact O-CB 3.44Å; S214-K218 VanDerWaalsContact O-CG 3.3Å; S214-K218 WeakPolarHBondContact O-CG 3.45Å; S214-K218 PolarHBondContact O-N 2.86Å; S214-Y249 WeakPolarHBondContact CB-OH 3.19Å
215	L	89.7	Confident	88.3	Confident	53 Å²	53	53.5 Å²	53.5	28%	0.277	25%	0.252	S	S	.	.	H	α-helix	trans	-63.7	-38.4	177.9	-69.4	179.5	0	0	0	112	Y211 F212 Y213 R219	Y211-L215 HydrophobicContact CD1-CD1 4.07Å; Y211-L215 HydrophobicContact CE1-CD1 3.5Å; Y211-L215 HydrophobicContact CE1-CG 4.15Å; Y211-L215 PolarHBondContact O-N 2.97Å; F212-L215 HydrophobicContact CD1-CD1 4.39Å; F212-L215 PolarHBondContact O-N 3.5Å; Y213-L215 VanDerWaalsContact C-N 3.3Å; Y213-L215 PolarHBondContact O-N 3.42Å; L215-R219 WeakPolarHBondContact O-CB 3.47Å; L215-R219 VanDerWaalsContact O-CG 3.25Å; L215-R219 WeakPolarHBondContact O-CG 3.4Å; L215-R219 PolarHBondContact O-N 3.14Å
216	K	90.5	Very high	89.5	Confident	76 Å²	76	51.2 Å²	51.2	33%	0.33	24%	0.235	S	C	.	.	H	α-helix	trans	-63.8	-45.6	176.6	-175.7	178.5	176	176.8	0	111.4	F212 Y213 S214 R219 L220	F212-K216 PolarHBondContact O-N 3.04Å; F212-K216 VanDerWaalsContact O-N 3.08Å; Y213-K216 WeakPolarHBondContact O-CB 3.38Å; Y213-K216 PolarHBondContact O-N 3.28Å; S214-K216 VanDerWaalsContact C-N 3.33Å; S214-K216 PolarHBondContact O-N 3.43Å; K216-R219 PolarHBondContact O-N 3.14Å; K216-L220 PolarHBondContact O-N 3.46Å
217	V	91.4	Very high	90.2	Very high	16 Å²	16	56.9 Å²	56.9	10%	0.097	26%	0.256	C	S	.	.	H	α-helix	trans	-67	-45.5	177.9	-179.6	0	0	0	0	110.6	Y213 S214 R219 L220 I221 Y249	Y213-V217 HydrophobicContact CD1-CG2 4.26Å; Y213-V217 HydrophobicContact CE1-CG2 3.75Å; Y213-V217 HydrophobicContact CE2-CG2 4.05Å; Y213-V217 PolarHBondContact O-N 3.38Å; S214-V217 PolarHBondContact O-N 2.97Å; V217-R219 VanDerWaalsContact C-N 3.3Å; V217-R219 PolarHBondContact O-N 2.75Å; V217-L220 WeakPolarHBondContact O-CB 3.45Å; V217-L220 PolarHBondContact O-N 3.24Å; V217-I221 HydrophobicContact CG1-CD1 3.89Å; V217-I221 HydrophobicContact CG1-CG1 4.45Å; V217-I221 WeakPolarHBondContact O-CG1 2.93Å; V217-I221 PolarHBondContact O-N 2.89Å; V217-Y249 HydrophobicContact CB-CD2 4.03Å; V217-Y249 HydrophobicContact CB-CE2 4.19Å; V217-Y249 HydrophobicContact CG1-CD2 3.86Å; V217-Y249 HydrophobicContact CG1-CE2 4.37Å
218	K	95.1	Very high	90.9	Very high	39 Å²	39	54.8 Å²	54.8	17%	0.17	25%	0.245	C	C	.	.	H	α-helix	trans	-59	-37.7	176.2	-73.3	-173.4	-176.6	-165.6	0	112.7	N185 S214 I221 A222 I245 D246 Y249	N185-K218 PolarHBondContact OD1-NZ 3.21Å; S214-K218 WeakPolarHBondContact O-CB 3.44Å; S214-K218 VanDerWaalsContact O-CG 3.3Å; S214-K218 WeakPolarHBondContact O-CG 3.45Å; S214-K218 PolarHBondContact O-N 2.86Å; K218-I221 PolarHBondContact O-N 2.67Å; K218-A222 WeakPolarHBondContact O-CB 3.24Å; K218-A222 PolarHBondContact O-N 3.18Å; K218-I245 HydrophobicContact CB-CG2 3.68Å; K218-I245 HydrophobicContact CD-CG2 4.11Å; K218-I245 HydrophobicContact CG-CG2 3.73Å; K218-D246 WeakPolarHBondContact CE-OD1 3.36Å; K218-D246 IonicContact NZ-OD1 3.83Å; K218-D246 PolarHBondContact NZ-OD1 2.95Å; K218-Y249 HydrophobicContact CD-CD1 4.45Å; K218-Y249 HydrophobicContact CD-CG 4.45Å; K218-Y249 HydrophobicContact CG-CD1 4.42Å; K218-Y249 HydrophobicContact CG-CD2 4.27Å; K218-Y249 HydrophobicContact CG-CG 3.94Å
219	R	94.1	Very high	91.3	Very high	150 Å²	150	55.4 Å²	55.4	57%	0.566	25%	0.249	S	C	*	.	H	α-helix	trans	-64.6	-38.9	173.1	-77	175.1	-175.4	175	1.9	112.8	L215 K216 V217 A222 K223	L215-R219 WeakPolarHBondContact O-CB 3.47Å; L215-R219 VanDerWaalsContact O-CG 3.25Å; L215-R219 WeakPolarHBondContact O-CG 3.4Å; L215-R219 PolarHBondContact O-N 3.14Å; K216-R219 PolarHBondContact O-N 3.14Å; V217-R219 VanDerWaalsContact C-N 3.3Å; V217-R219 PolarHBondContact O-N 2.75Å; R219-A222 PolarHBondContact O-N 3.46Å; R219-K223 PolarHBondContact O-N 2.89Å
220	L	93.9	Very high	91.8	Very high	87 Å²	87	57.1 Å²	57.1	46%	0.455	26%	0.263	S	S	.	.	H	α-helix	trans	-62.7	-47.7	175	179.3	67.8	0	0	0	110.5	K216 V217 A222 K223 Y259	K216-L220 PolarHBondContact O-N 3.46Å; V217-L220 WeakPolarHBondContact O-CB 3.45Å; V217-L220 PolarHBondContact O-N 3.24Å; L220-A222 VanDerWaalsContact C-N 3.33Å; L220-A222 PolarHBondContact O-N 3.27Å; L220-K223 WeakPolarHBondContact O-CB 3.15Å; L220-K223 PolarHBondContact O-N 3.05Å; L220-Y259 HydrophobicContact CD2-CD1 3.94Å; L220-Y259 HydrophobicContact CG-CD1 4.03Å; L220-Y259 HydrophobicContact CG-CE1 4.49Å
221	I	96.8	Very high	92.1	Very high	0 Å²	0	63 Å²	63	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-60.5	-43.3	176.9	-64.5	166	0	0	0	110.9	V217 K218 K223 D224 V225 I245 L248 Y259	V217-I221 HydrophobicContact CG1-CD1 3.89Å; V217-I221 HydrophobicContact CG1-CG1 4.45Å; V217-I221 WeakPolarHBondContact O-CG1 2.93Å; V217-I221 PolarHBondContact O-N 2.89Å; K218-I221 PolarHBondContact O-N 2.67Å; I221-K223 VanDerWaalsContact C-N 3.26Å; I221-K223 PolarHBondContact O-N 2.89Å; I221-D224 WeakPolarHBondContact O-CB 3.45Å; I221-D224 PolarHBondContact O-N 3.34Å; I221-V225 HydrophobicContact CG2-CG2 3.74Å; I221-V225 WeakPolarHBondContact O-CG2 3.28Å; I221-V225 PolarHBondContact O-N 3.47Å; I221-I245 HydrophobicContact CG2-CB 4.4Å; I221-I245 HydrophobicContact CG2-CG1 4.12Å; I221-L248 HydrophobicContact CD1-CB 3.93Å; I221-L248 HydrophobicContact CG1-CB 4.49Å; I221-L248 HydrophobicContact CG2-CB 3.97Å; I221-L248 HydrophobicContact CG2-CD1 3.49Å; I221-L248 VanDerWaalsContact CG2-CD1 3.49Å; I221-L248 HydrophobicContact CG2-CG 4.37Å; I221-Y259 HydrophobicContact CD1-CD2 4.19Å; I221-Y259 HydrophobicContact CD1-CG 4.31Å; I221-Y259 HydrophobicContact CG1-CD1 3.88Å; I221-Y259 HydrophobicContact CG1-CD2 3.61Å; I221-Y259 HydrophobicContact CG1-CE1 4.18Å; I221-Y259 HydrophobicContact CG1-CE2 3.92Å; I221-Y259 HydrophobicContact CG1-CG 3.58Å; I221-Y259 HydrophobicContact CG2-CE2 4.4Å
222	A	97	Very high	92.3	Very high	8 Å²	8	61.1 Å²	61.1	7%	0.066	28%	0.283	C	S	.	.	H	α-helix	trans	-58.4	-35.4	-178.5	0	0	0	0	0	113.2	K218 R219 L220 D224 V225 N226 I245	K218-A222 WeakPolarHBondContact O-CB 3.24Å; K218-A222 PolarHBondContact O-N 3.18Å; R219-A222 PolarHBondContact O-N 3.46Å; L220-A222 VanDerWaalsContact C-N 3.33Å; L220-A222 PolarHBondContact O-N 3.27Å; A222-D224 PolarHBondContact O-N 2.85Å; A222-V225 PolarHBondContact O-N 3.03Å; A222-N226 WeakPolarHBondContact O-CB 3.48Å; A222-N226 PolarHBondContact O-N 3.45Å; A222-N226 PolarHBondContact O-ND2 3.49Å; A222-I245 HydrophobicContact CB-CD1 3.71Å; A222-I245 HydrophobicContact CB-CG1 4.27Å
223	K	96.2	Very high	92.5	Very high	148 Å²	148	60.3 Å²	60.3	64%	0.643	28%	0.28	S	S	*	.	H	α-helix	trans	-58.1	-35.8	176	-68.8	-179.3	178.3	-169.9	0	112.3	R219 L220 I221	R219-K223 PolarHBondContact O-N 2.89Å; L220-K223 WeakPolarHBondContact O-CB 3.15Å; L220-K223 PolarHBondContact O-N 3.05Å; I221-K223 VanDerWaalsContact C-N 3.26Å; I221-K223 PolarHBondContact O-N 2.89Å
224	D	96.6	Very high	92.8	Very high	13 Å²	13	59.4 Å²	59.4	7%	0.07	28%	0.276	C	S	.	.	H	α-helix	trans	-84.6	-42.7	179.8	-76.8	-3.1	0	0	0	112.4	I221 A222 N226 R227 T228 Y259 H264	I221-D224 WeakPolarHBondContact O-CB 3.45Å; I221-D224 PolarHBondContact O-N 3.34Å; A222-D224 PolarHBondContact O-N 2.85Å; D224-N226 VanDerWaalsContact C-N 3.3Å; D224-N226 PolarHBondContact O-N 3.2Å; D224-R227 WeakPolarHBondContact O-CG 3.27Å; D224-R227 PolarHBondContact O-N 3.46Å; D224-R227 VanDerWaalsContact O-N 3.14Å; D224-R227 IonicContact OD1-CZ 3.38Å; D224-R227 IonicContact OD1-NE 3.22Å; D224-R227 PolarHBondContact OD1-NE 2.92Å; D224-R227 IonicContact OD1-NH2 2.72Å; D224-R227 PolarHBondContact OD1-NH2 3.29Å; D224-T228 PolarHBondContact O-N 3.37Å; D224-T228 PolarHBondContact O-OG1 2.82Å; D224-Y259 VanDerWaalsContact CB-OH 3.24Å; D224-Y259 WeakPolarHBondContact CB-OH 3.48Å; D224-Y259 VanDerWaalsContact OD2-CE1 3.24Å; D224-Y259 WeakPolarHBondContact OD2-CE1 3.27Å; D224-Y259 PolarHBondContact OD2-OH 3.28Å; D224-H264 VanDerWaalsContact CB-CE1 3.48Å; D224-H264 WeakPolarHBondContact CB-CE1 3.5Å; D224-H264 WeakPolarHBondContact CB-ND1 3.37Å; D224-H264 IonicContact OD2-CE1 3.87Å; D224-H264 PolarHBondContact OD2-CE1 3.44Å; D224-H264 IonicContact OD2-ND1 2.7Å
225	V	96.8	Very high	93.1	Very high	0 Å²	0	59 Å²	59	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58.5	-42.8	177.7	171.4	0	0	0	0	111.1	I221 A222 R227 T228 H241 M244 I245 L248 H264	I221-V225 HydrophobicContact CG2-CG2 3.74Å; I221-V225 WeakPolarHBondContact O-CG2 3.28Å; I221-V225 PolarHBondContact O-N 3.47Å; A222-V225 PolarHBondContact O-N 3.03Å; V225-R227 PolarHBondContact O-N 3Å; V225-T228 WeakPolarHBondContact CA-OG1 3.12Å; V225-T228 VanDerWaalsContact O-CB 3.27Å; V225-T228 WeakPolarHBondContact O-CB 3.49Å; V225-T228 PolarHBondContact O-N 3.15Å; V225-T228 PolarHBondContact O-OG1 3.16Å; V225-T228 VanDerWaalsContact O-OG1 3.05Å; V225-H241 HydrophobicContact CG1-CB 3.8Å; V225-M244 HydrophobicContact CG1-CB 4.01Å; V225-M244 HydrophobicContact CG1-CE 4.35Å; V225-M244 HydrophobicContact CG1-SD 4.12Å; V225-M244 HydrophobicContact CG2-CB 4.04Å; V225-M244 HydrophobicContact CG2-CE 4.3Å; V225-I245 HydrophobicContact CB-CG1 4.27Å; V225-I245 HydrophobicContact CG1-CG1 4.37Å; V225-I245 HydrophobicContact CG2-CG1 4.06Å; V225-L248 HydrophobicContact CG2-CD1 4.08Å; V225-H264 HydrophobicContact CG2-CB 4.32Å
226	N	94.7	Very high	93.2	Very high	74 Å²	74	61.9 Å²	61.9	40%	0.396	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-19.6	-179.8	-71.7	-16.8	0	0	0	114.7	A222 D224 H241	A222-N226 WeakPolarHBondContact O-CB 3.48Å; A222-N226 PolarHBondContact O-N 3.45Å; A222-N226 PolarHBondContact O-ND2 3.49Å; D224-N226 VanDerWaalsContact C-N 3.3Å; D224-N226 PolarHBondContact O-N 3.2Å; N226-H241 PolarHBondContact OD1-ND1 3.02Å
227	R	94.1	Very high	93.3	Very high	122 Å²	122	60.5 Å²	60.5	46%	0.46	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	10	179.6	61.4	-178.4	179.7	115.1	-5.1	113.2	D224 V225	D224-R227 WeakPolarHBondContact O-CG 3.27Å; D224-R227 PolarHBondContact O-N 3.46Å; D224-R227 VanDerWaalsContact O-N 3.14Å; D224-R227 IonicContact OD1-CZ 3.38Å; D224-R227 IonicContact OD1-NE 3.22Å; D224-R227 PolarHBondContact OD1-NE 2.92Å; D224-R227 IonicContact OD1-NH2 2.72Å; D224-R227 PolarHBondContact OD1-NH2 3.29Å; V225-R227 PolarHBondContact O-N 3Å
228	T	93.5	Very high	93.5	Very high	6 Å²	6	64.6 Å²	64.6	4%	0.037	30%	0.299	C	S	.	.	S	Bend	trans	-75.3	127.4	-177.5	-58	0	0	0	0	111	D224 V225 M244 H264 A268	D224-T228 PolarHBondContact O-N 3.37Å; D224-T228 PolarHBondContact O-OG1 2.82Å; V225-T228 WeakPolarHBondContact CA-OG1 3.12Å; V225-T228 VanDerWaalsContact O-CB 3.27Å; V225-T228 WeakPolarHBondContact O-CB 3.49Å; V225-T228 PolarHBondContact O-N 3.15Å; V225-T228 PolarHBondContact O-OG1 3.16Å; V225-T228 VanDerWaalsContact O-OG1 3.05Å; T228-M244 HydrophobicContact CG2-CE 4.01Å; T228-H264 PolarHBondContact OG1-CD2 3.14Å; T228-A268 HydrophobicContact CG2-CB 3.61Å
229	F	89.4	Confident	93.5	Very high	35 Å²	35	65.9 Å²	65.9	15%	0.154	31%	0.308	C	S	.	.	S	Bend	trans	38.3	59.8	178.9	-66.8	-74.6	0	0	0	114.4	K231 V232 F235 A268 P269 L501 L504	F229-K231 PolarHBondContact O-N 3.35Å; F229-V232 HydrophobicContact CB-CB 4.19Å; F229-V232 HydrophobicContact CB-CG2 4.19Å; F229-V232 PolarHBondContact O-N 3.07Å; F229-F235 HydrophobicContact CB-CD2 3.58Å; F229-F235 HydrophobicContact CB-CE2 3.85Å; F229-F235 HydrophobicContact CB-CG 4.41Å; F229-F235 HydrophobicContact CD2-CD2 4.31Å; F229-F235 AromaticContact CD2-CE2 3.88Å; F229-F235 HydrophobicContact CD2-CE2 3.88Å; F229-F235 HydrophobicContact CD2-CZ 4.22Å; F229-F235 HydrophobicContact CG-CD2 4.32Å; F229-F235 HydrophobicContact CG-CE2 4.11Å; F229-A268 HydrophobicContact CD2-CB 3.76Å; F229-A268 HydrophobicContact CE2-CB 3.68Å; F229-P269 HydrophobicContact CE2-CG 4.11Å; F229-P269 HydrophobicContact CZ-CG 4.16Å; F229-L501 HydrophobicContact CE1-CD1 4.38Å; F229-L501 HydrophobicContact CZ-CD1 4.38Å; F229-L504 HydrophobicContact CZ-CD2 4.23Å
230	P	90.9	Very high	93.6	Very high	88 Å²	88	58.9 Å²	58.9	57%	0.571	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-14.5	-168.2	26.4	-36.2	0	0	0	114.4	H236	P230-H236 PolarHBondContact O-CE1 3.43Å; P230-H236 PolarHBondContact O-NE2 2.84Å
231	K	88.4	Confident	93.7	Very high	203 Å²	203	55.4 Å²	55.4	88%	0.883	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-8.5	176.1	-62.9	177.5	-176.8	167.7	0	113.4	F229	F229-K231 PolarHBondContact O-N 3.35Å
232	V	89.1	Confident	93.7	Very high	15 Å²	15	57.7 Å²	57.7	9%	0.091	28%	0.275	C	S	.	.			trans	-108.5	108.6	-176.2	178.3	0	0	0	0	108.3	F229 Y234 F235 F272 L501	F229-V232 HydrophobicContact CB-CB 4.19Å; F229-V232 HydrophobicContact CB-CG2 4.19Å; F229-V232 PolarHBondContact O-N 3.07Å; V232-Y234 PolarHBondContact O-N 2.74Å; V232-Y234 VanDerWaalsContact O-N 3.1Å; V232-F235 HydrophobicContact CB-CD2 3.84Å; V232-F235 HydrophobicContact CB-CE2 4.25Å; V232-F235 HydrophobicContact CG1-CD2 3.75Å; V232-F235 HydrophobicContact CG1-CE2 3.89Å; V232-F235 PolarHBondContact O-N 3.36Å; V232-F272 HydrophobicContact CG1-CE2 4.35Å; V232-L501 HydrophobicContact CG1-CD2 4.38Å; V232-L501 HydrophobicContact CG2-CD2 4.17Å
233	E	90.5	Very high	93.7	Very high	76 Å²	76	57.6 Å²	57.6	36%	0.355	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-61	-24.4	-171.5	-170.4	171.5	167.7	0	0	114.2	S81 S82 F235 H236	S81-E233 WeakPolarHBondContact CA-OE1 3.36Å; S81-E233 WeakPolarHBondContact CA-OE2 3.47Å; S81-E233 VanDerWaalsContact CB-OE1 3.3Å; S81-E233 WeakPolarHBondContact CB-OE1 3.39Å; S81-E233 WeakPolarHBondContact CB-OE2 3.36Å; S82-E233 PolarHBondContact N-OE2 3.05Å; E233-F235 PolarHBondContact O-N 3.38Å; E233-H236 WeakPolarHBondContact O-CB 3.38Å; E233-H236 PolarHBondContact O-N 2.8Å
234	Y	92.5	Very high	93.8	Very high	29 Å²	29	50.5 Å²	50.5	11%	0.114	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-54.1	-40.1	173.2	178.6	-103.9	0	0	0	112.7	V232 H236 N237 I240 L271 F272 H275	V232-Y234 PolarHBondContact O-N 2.74Å; V232-Y234 VanDerWaalsContact O-N 3.1Å; Y234-H236 PolarHBondContact O-N 2.92Å; Y234-N237 PolarHBondContact O-N 3.42Å; Y234-I240 HydrophobicContact CD1-CG2 4.38Å; Y234-I240 HydrophobicContact CE1-CD1 4.34Å; Y234-I240 HydrophobicContact CE1-CG1 4.22Å; Y234-I240 HydrophobicContact CE1-CG2 3.83Å; Y234-I240 HydrophobicContact CE2-CD1 3.92Å; Y234-I240 HydrophobicContact CE2-CG1 3.99Å; Y234-I240 VanDerWaalsContact OH-CD1 3.23Å; Y234-I240 WeakPolarHBondContact OH-CD1 3.49Å; Y234-L271 HydrophobicContact CE1-CD2 3.41Å; Y234-L271 VanDerWaalsContact CE1-CD2 3.41Å; Y234-L271 WeakPolarHBondContact OH-CD2 3.41Å; Y234-F272 HydrophobicContact CD1-CB 4.43Å; Y234-F272 AromaticContact CD1-CD2 3.67Å; Y234-F272 HydrophobicContact CD1-CD2 3.67Å; Y234-F272 HydrophobicContact CE1-CB 4.36Å; Y234-F272 HydrophobicContact CE1-CD2 4.23Å; Y234-F272 AromaticContact CG-CD2 3.87Å; Y234-F272 HydrophobicContact CG-CD2 3.87Å; Y234-F272 HydrophobicContact CG-CE2 4.31Å; Y234-H275 AromaticContact CD2-CD2 3.74Å; Y234-H275 HydrophobicContact CE2-CB 4.13Å; Y234-H275 AromaticContact CE2-CD2 3.08Å; Y234-H275 WeakPolarHBondContact CE2-CD2 3.38Å; Y234-H275 AromaticContact CE2-CG 3.49Å; Y234-H275 VanDerWaalsContact CE2-CG 3.49Å; Y234-H275 AromaticContact CE2-NE2 3.49Å; Y234-H275 WeakPolarHBondContact CE2-NE2 3.47Å; Y234-H275 AromaticContact CZ-CD2 3.73Å; Y234-H275 AromaticContact CZ-CG 3.72Å; Y234-H275 VanDerWaalsContact OH-CB 3.22Å; Y234-H275 WeakPolarHBondContact OH-CB 3.4Å; Y234-H275 VanDerWaalsContact OH-CG 3.31Å
235	F	93.6	Very high	93.8	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.009	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-84.8	14.4	178.2	-56.8	-74.1	0	0	0	113	F229 V232 E233 I240 H241 M244 A268 F272	F229-F235 HydrophobicContact CB-CD2 3.58Å; F229-F235 HydrophobicContact CB-CE2 3.85Å; F229-F235 HydrophobicContact CB-CG 4.41Å; F229-F235 HydrophobicContact CD2-CD2 4.31Å; F229-F235 AromaticContact CD2-CE2 3.88Å; F229-F235 HydrophobicContact CD2-CE2 3.88Å; F229-F235 HydrophobicContact CD2-CZ 4.22Å; F229-F235 HydrophobicContact CG-CD2 4.32Å; F229-F235 HydrophobicContact CG-CE2 4.11Å; V232-F235 HydrophobicContact CB-CD2 3.84Å; V232-F235 HydrophobicContact CB-CE2 4.25Å; V232-F235 HydrophobicContact CG1-CD2 3.75Å; V232-F235 HydrophobicContact CG1-CE2 3.89Å; V232-F235 PolarHBondContact O-N 3.36Å; E233-F235 PolarHBondContact O-N 3.38Å; F235-I240 HydrophobicContact CD1-CG2 4.15Å; F235-H241 PolarHBondContact O-NE2 3.21Å; F235-M244 HydrophobicContact CD1-SD 4.01Å; F235-M244 HydrophobicContact CE1-SD 4.26Å; F235-A268 HydrophobicContact CD1-CB 4.36Å; F235-A268 HydrophobicContact CE1-CB 3.51Å; F235-A268 HydrophobicContact CZ-CB 3.61Å; F235-A268 WeakPolarHBondContact CZ-O 3.5Å; F235-F272 HydrophobicContact CZ-CB 3.92Å
236	H	92.3	Very high	93.8	Very high	113 Å²	113	52.2 Å²	52.2	52%	0.523	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-91.8	-12.2	167.1	-60.5	168.6	0	0	0	111.8	P230 E233 Y234 Q238	P230-H236 PolarHBondContact O-CE1 3.43Å; P230-H236 PolarHBondContact O-NE2 2.84Å; E233-H236 WeakPolarHBondContact O-CB 3.38Å; E233-H236 PolarHBondContact O-N 2.8Å; Y234-H236 PolarHBondContact O-N 2.92Å; H236-Q238 PolarHBondContact O-N 3.28Å
237	N	92.8	Very high	93.9	Very high	47 Å²	47	48.7 Å²	48.7	25%	0.251	23%	0.233	S	C	.	.			trans	-77.3	121.9	-177.1	-175.4	-19	0	0	0	111.4	Y234 I239 I240 H241	Y234-N237 PolarHBondContact O-N 3.42Å; N237-I239 PolarHBondContact O-N 2.89Å; N237-I239 WeakPolarHBondContact OD1-CB 3.09Å; N237-I239 PolarHBondContact OD1-N 3.44Å; N237-I240 HydrophobicContact CB-CB 4.35Å; N237-I240 HydrophobicContact CB-CG1 3.92Å; N237-I240 WeakPolarHBondContact O-CB 3.25Å; N237-I240 PolarHBondContact O-N 2.81Å; N237-H241 PolarHBondContact O-N 3.23Å; N237-H241 VanDerWaalsContact O-N 3.1Å
238	Q	94.8	Very high	94.1	Very high	101 Å²	101	42.9 Å²	42.9	47%	0.472	21%	0.211	S	C	.	.	H	α-helix	trans	-60.3	-29.3	-179.8	-171.2	58.3	36.5	0	0	113.5	H236 I240 H241 N242	H236-Q238 PolarHBondContact O-N 3.28Å; Q238-I240 VanDerWaalsContact C-N 3.32Å; Q238-H241 WeakPolarHBondContact O-CB 3.38Å; Q238-H241 PolarHBondContact O-N 3.32Å; Q238-N242 PolarHBondContact NE2-OD1 3.36Å; Q238-N242 PolarHBondContact O-N 3.08Å; Q238-N242 PolarHBondContact O-ND2 3.15Å; Q238-N242 PolarHBondContact O-OD1 2.87Å
239	I	94.7	Very high	94.2	Very high	67 Å²	67	42.7 Å²	42.7	34%	0.344	21%	0.209	S	C	.	.	H	α-helix	trans	-67.4	-39.7	176.7	-60.9	170.9	0	0	0	110	L74 N237 N242 I243	L74-I239 HydrophobicContact CD1-CB 4.38Å; L74-I239 HydrophobicContact CD1-CD1 3.83Å; L74-I239 HydrophobicContact CD1-CG2 3.78Å; L74-I239 HydrophobicContact CD2-CD1 3.72Å; L74-I239 HydrophobicContact CG-CD1 3.52Å; N237-I239 PolarHBondContact O-N 2.89Å; N237-I239 WeakPolarHBondContact OD1-CB 3.09Å; N237-I239 PolarHBondContact OD1-N 3.44Å; I239-N242 PolarHBondContact O-N 3.46Å; I239-I243 HydrophobicContact CG2-CD1 4.15Å; I239-I243 WeakPolarHBondContact O-CG1 3.3Å; I239-I243 PolarHBondContact O-N 3.04Å
240	I	96.3	Very high	94.5	Very high	3 Å²	3	41 Å²	41	2%	0.015	20%	0.202	C	C	.	.	H	α-helix	trans	-64.5	-42.2	174.6	-59.2	-50.9	0	0	0	110.5	Y234 F235 N237 Q238 N242 I243 M244 L271	Y234-I240 HydrophobicContact CD1-CG2 4.38Å; Y234-I240 HydrophobicContact CE1-CD1 4.34Å; Y234-I240 HydrophobicContact CE1-CG1 4.22Å; Y234-I240 HydrophobicContact CE1-CG2 3.83Å; Y234-I240 HydrophobicContact CE2-CD1 3.92Å; Y234-I240 HydrophobicContact CE2-CG1 3.99Å; Y234-I240 VanDerWaalsContact OH-CD1 3.23Å; Y234-I240 WeakPolarHBondContact OH-CD1 3.49Å; F235-I240 HydrophobicContact CD1-CG2 4.15Å; N237-I240 HydrophobicContact CB-CB 4.35Å; N237-I240 HydrophobicContact CB-CG1 3.92Å; N237-I240 WeakPolarHBondContact O-CB 3.25Å; N237-I240 PolarHBondContact O-N 2.81Å; Q238-I240 VanDerWaalsContact C-N 3.32Å; I240-N242 PolarHBondContact O-N 3.28Å; I240-I243 HydrophobicContact CD1-CD1 4.43Å; I240-I243 PolarHBondContact O-N 3.26Å; I240-M244 HydrophobicContact CG2-CG 4.47Å; I240-M244 HydrophobicContact CG2-SD 4.14Å; I240-M244 WeakPolarHBondContact O-CG 3.37Å; I240-M244 PolarHBondContact O-N 3.24Å; I240-L271 HydrophobicContact CD1-CD2 4.36Å; I240-L271 HydrophobicContact CG2-CD2 3.71Å
241	H	96.7	Very high	94.8	Very high	13 Å²	13	36.8 Å²	36.8	6%	0.06	18%	0.175	C	C	.	.	H	α-helix	trans	-57.5	-47	173.3	-69	176.9	0	0	0	112.5	V225 N226 F235 N237 Q238 I243 M244 I245	V225-H241 HydrophobicContact CG1-CB 3.8Å; N226-H241 PolarHBondContact OD1-ND1 3.02Å; F235-H241 PolarHBondContact O-NE2 3.21Å; N237-H241 PolarHBondContact O-N 3.23Å; N237-H241 VanDerWaalsContact O-N 3.1Å; Q238-H241 WeakPolarHBondContact O-CB 3.38Å; Q238-H241 PolarHBondContact O-N 3.32Å; H241-I243 VanDerWaalsContact C-N 3.34Å; H241-I243 PolarHBondContact O-N 3.01Å; H241-M244 PolarHBondContact O-N 3.02Å; H241-I245 WeakPolarHBondContact O-CB 3.47Å; H241-I245 WeakPolarHBondContact O-CD1 3.28Å; H241-I245 WeakPolarHBondContact O-CG1 3.45Å; H241-I245 PolarHBondContact O-N 2.85Å
242	N	96.3	Very high	95	Very high	48 Å²	48	27.5 Å²	27.5	26%	0.257	14%	0.135	S	C	.	.	H	α-helix	trans	-61.4	-43.8	179.8	-66.6	-14.9	0	0	0	111.1	Q238 I239 I240 M244 I245 D246	Q238-N242 PolarHBondContact NE2-OD1 3.36Å; Q238-N242 PolarHBondContact O-N 3.08Å; Q238-N242 PolarHBondContact O-ND2 3.15Å; Q238-N242 PolarHBondContact O-OD1 2.87Å; I239-N242 PolarHBondContact O-N 3.46Å; I240-N242 PolarHBondContact O-N 3.28Å; N242-M244 PolarHBondContact O-N 2.99Å; N242-I245 PolarHBondContact O-N 3.31Å; N242-D246 WeakPolarHBondContact O-CB 3.42Å; N242-D246 PolarHBondContact O-N 3Å
243	I	97.1	Very high	95.1	Very high	6 Å²	6	29 Å²	29	3%	0.031	14%	0.141	C	C	.	.	H	α-helix	trans	-59.7	-47.2	175.2	-67.2	168.2	0	0	0	110.6	L71 I239 I240 H241 I245 D246 L247 L271 F307 Q308	L71-I243 HydrophobicContact CD1-CD1 3.95Å; I239-I243 HydrophobicContact CG2-CD1 4.15Å; I239-I243 WeakPolarHBondContact O-CG1 3.3Å; I239-I243 PolarHBondContact O-N 3.04Å; I240-I243 HydrophobicContact CD1-CD1 4.43Å; I240-I243 PolarHBondContact O-N 3.26Å; H241-I243 VanDerWaalsContact C-N 3.34Å; H241-I243 PolarHBondContact O-N 3.01Å; I243-I245 PolarHBondContact O-N 2.61Å; I243-D246 PolarHBondContact O-N 2.85Å; I243-L247 HydrophobicContact CG2-CD1 3.78Å; I243-L247 HydrophobicContact CG2-CG 4.15Å; I243-L247 WeakPolarHBondContact O-CB 3.37Å; I243-L247 VanDerWaalsContact O-CG 3.27Å; I243-L247 WeakPolarHBondContact O-CG 3.27Å; I243-L247 PolarHBondContact O-N 3.02Å; I243-L271 HydrophobicContact CG2-CD1 3.8Å; I243-F307 HydrophobicContact CD1-CD1 4.4Å; I243-F307 HydrophobicContact CD1-CE1 4.22Å; I243-Q308 HydrophobicContact CG2-CG 4.06Å
244	M	98.3	Very high	95.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.1	-45.2	178.9	-71.7	177.1	69.4	0	0	112.2	V225 T228 F235 I240 H241 N242 D246 L247 L248 H264 L267 A268 L271	V225-M244 HydrophobicContact CG1-CB 4.01Å; V225-M244 HydrophobicContact CG1-CE 4.35Å; V225-M244 HydrophobicContact CG1-SD 4.12Å; V225-M244 HydrophobicContact CG2-CB 4.04Å; V225-M244 HydrophobicContact CG2-CE 4.3Å; T228-M244 HydrophobicContact CG2-CE 4.01Å; F235-M244 HydrophobicContact CD1-SD 4.01Å; F235-M244 HydrophobicContact CE1-SD 4.26Å; I240-M244 HydrophobicContact CG2-CG 4.47Å; I240-M244 HydrophobicContact CG2-SD 4.14Å; I240-M244 WeakPolarHBondContact O-CG 3.37Å; I240-M244 PolarHBondContact O-N 3.24Å; H241-M244 PolarHBondContact O-N 3.02Å; N242-M244 PolarHBondContact O-N 2.99Å; M244-D246 VanDerWaalsContact C-N 3.34Å; M244-D246 PolarHBondContact O-N 2.82Å; M244-L247 PolarHBondContact O-N 3.24Å; M244-L248 WeakPolarHBondContact O-CB 3.27Å; M244-L248 WeakPolarHBondContact O-CD1 3.35Å; M244-L248 VanDerWaalsContact O-CG 3.25Å; M244-L248 WeakPolarHBondContact O-CG 3.28Å; M244-L248 PolarHBondContact O-N 3.19Å; M244-H264 HydrophobicContact CE-CB 4.43Å; M244-L267 HydrophobicContact CB-CD2 4.09Å; M244-L267 HydrophobicContact CG-CD2 4.1Å; M244-A268 HydrophobicContact CE-CB 3.9Å; M244-L271 HydrophobicContact CG-CD1 3.71Å
245	I	97.6	Very high	95.1	Very high	18 Å²	18	29.3 Å²	29.3	9%	0.092	14%	0.143	C	C	.	.	H	α-helix	trans	-60.4	-45.7	178.3	-68.8	161.6	0	0	0	110.5	K218 I221 A222 V225 H241 N242 I243 Y249	K218-I245 HydrophobicContact CB-CG2 3.68Å; K218-I245 HydrophobicContact CD-CG2 4.11Å; K218-I245 HydrophobicContact CG-CG2 3.73Å; I221-I245 HydrophobicContact CG2-CB 4.4Å; I221-I245 HydrophobicContact CG2-CG1 4.12Å; A222-I245 HydrophobicContact CB-CD1 3.71Å; A222-I245 HydrophobicContact CB-CG1 4.27Å; V225-I245 HydrophobicContact CB-CG1 4.27Å; V225-I245 HydrophobicContact CG1-CG1 4.37Å; V225-I245 HydrophobicContact CG2-CG1 4.06Å; H241-I245 WeakPolarHBondContact O-CB 3.47Å; H241-I245 WeakPolarHBondContact O-CD1 3.28Å; H241-I245 WeakPolarHBondContact O-CG1 3.45Å; H241-I245 PolarHBondContact O-N 2.85Å; N242-I245 PolarHBondContact O-N 3.31Å; I243-I245 PolarHBondContact O-N 2.61Å; I245-Y249 VanDerWaalsContact O-CB 3.27Å; I245-Y249 WeakPolarHBondContact O-CB 3.09Å; I245-Y249 PolarHBondContact O-N 2.86Å
246	D	96	Very high	94.8	Very high	31 Å²	31	33.5 Å²	33.5	17%	0.166	17%	0.166	C	C	.	.	H	α-helix	trans	-67	-46	-179.5	-74.9	-25.4	0	0	0	111.7	K218 N242 I243 M244 Y249 I250	K218-D246 WeakPolarHBondContact CE-OD1 3.36Å; K218-D246 IonicContact NZ-OD1 3.83Å; K218-D246 PolarHBondContact NZ-OD1 2.95Å; N242-D246 WeakPolarHBondContact O-CB 3.42Å; N242-D246 PolarHBondContact O-N 3Å; I243-D246 PolarHBondContact O-N 2.85Å; M244-D246 VanDerWaalsContact C-N 3.34Å; M244-D246 PolarHBondContact O-N 2.82Å; D246-Y249 PolarHBondContact O-N 3.41Å; D246-I250 WeakPolarHBondContact O-CB 3.38Å; D246-I250 WeakPolarHBondContact O-CD1 3.33Å; D246-I250 WeakPolarHBondContact O-CG1 3.32Å; D246-I250 PolarHBondContact O-N 3.22Å
247	L	97.9	Very high	94.7	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.8	-44.5	179	-71.8	-177.8	0	0	0	112.7	F177 I243 M244 Y249 I250 Y251 L267 Q308 V311 Y312	F177-L247 HydrophobicContact CE2-CD2 3.74Å; F177-L247 HydrophobicContact CZ-CD2 3.67Å; I243-L247 HydrophobicContact CG2-CD1 3.78Å; I243-L247 HydrophobicContact CG2-CG 4.15Å; I243-L247 WeakPolarHBondContact O-CB 3.37Å; I243-L247 VanDerWaalsContact O-CG 3.27Å; I243-L247 WeakPolarHBondContact O-CG 3.27Å; I243-L247 PolarHBondContact O-N 3.02Å; M244-L247 PolarHBondContact O-N 3.24Å; L247-Y249 VanDerWaalsContact C-N 3.35Å; L247-I250 PolarHBondContact O-N 3Å; L247-Y251 WeakPolarHBondContact O-CB 3.33Å; L247-Y251 PolarHBondContact O-N 3.05Å; L247-L267 HydrophobicContact CB-CD2 4.01Å; L247-L267 HydrophobicContact CD1-CD1 4.24Å; L247-L267 HydrophobicContact CD1-CD2 4.46Å; L247-Q308 HydrophobicContact CD2-CB 4.19Å; L247-V311 HydrophobicContact CD1-CB 4.15Å; L247-V311 HydrophobicContact CD1-CG1 3.72Å; L247-Y312 HydrophobicContact CD2-CD2 4.29Å
248	L	97.5	Very high	94.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64.1	-41.9	176.6	-71.6	167.4	0	0	0	111.1	I221 V225 M244 Y251 T252 Y259 M263 H264 L267 F315	I221-L248 HydrophobicContact CD1-CB 3.93Å; I221-L248 HydrophobicContact CG1-CB 4.49Å; I221-L248 HydrophobicContact CG2-CB 3.97Å; I221-L248 HydrophobicContact CG2-CD1 3.49Å; I221-L248 VanDerWaalsContact CG2-CD1 3.49Å; I221-L248 HydrophobicContact CG2-CG 4.37Å; V225-L248 HydrophobicContact CG2-CD1 4.08Å; M244-L248 WeakPolarHBondContact O-CB 3.27Å; M244-L248 WeakPolarHBondContact O-CD1 3.35Å; M244-L248 VanDerWaalsContact O-CG 3.25Å; M244-L248 WeakPolarHBondContact O-CG 3.28Å; M244-L248 PolarHBondContact O-N 3.19Å; L248-Y251 PolarHBondContact O-N 3.01Å; L248-T252 VanDerWaalsContact O-CG2 3.28Å; L248-T252 WeakPolarHBondContact O-CG2 3.37Å; L248-T252 PolarHBondContact O-N 3.38Å; L248-T252 PolarHBondContact O-OG1 3.14Å; L248-Y259 HydrophobicContact CD1-CE2 4.15Å; L248-Y259 HydrophobicContact CD2-CE2 4.43Å; L248-M263 HydrophobicContact CD2-CB 3.92Å; L248-H264 HydrophobicContact CD1-CB 3.82Å; L248-L267 HydrophobicContact CD1-CD2 4.23Å; L248-L267 HydrophobicContact CD2-CB 4.34Å; L248-L267 HydrophobicContact CD2-CD2 4.08Å; L248-L267 HydrophobicContact CG-CD2 3.72Å; L248-F315 HydrophobicContact CD2-CE1 4.09Å; L248-F315 HydrophobicContact CD2-CE2 4.24Å; L248-F315 HydrophobicContact CD2-CZ 3.6Å
249	Y	96	Very high	94.5	Very high	1 Å²	1	24 Å²	24	0%	0.004	12%	0.123	C	C	.	.	H	α-helix	trans	-62.3	-49	176.4	175.6	-111.4	0	0	0	111.7	I184 S214 V217 K218 I245 D246 L247 Y251 T252 E253	I184-Y249 HydrophobicContact CG2-CD1 3.98Å; I184-Y249 HydrophobicContact CG2-CE1 3.45Å; I184-Y249 VanDerWaalsContact CG2-CE1 3.45Å; S214-Y249 WeakPolarHBondContact CB-OH 3.19Å; V217-Y249 HydrophobicContact CB-CD2 4.03Å; V217-Y249 HydrophobicContact CB-CE2 4.19Å; V217-Y249 HydrophobicContact CG1-CD2 3.86Å; V217-Y249 HydrophobicContact CG1-CE2 4.37Å; K218-Y249 HydrophobicContact CD-CD1 4.45Å; K218-Y249 HydrophobicContact CD-CG 4.45Å; K218-Y249 HydrophobicContact CG-CD1 4.42Å; K218-Y249 HydrophobicContact CG-CD2 4.27Å; K218-Y249 HydrophobicContact CG-CG 3.94Å; I245-Y249 VanDerWaalsContact O-CB 3.27Å; I245-Y249 WeakPolarHBondContact O-CB 3.09Å; I245-Y249 PolarHBondContact O-N 2.86Å; D246-Y249 PolarHBondContact O-N 3.41Å; L247-Y249 VanDerWaalsContact C-N 3.35Å; Y249-Y251 VanDerWaalsContact C-N 3.27Å; Y249-Y251 PolarHBondContact O-N 3.03Å; Y249-T252 WeakPolarHBondContact CA-OG1 3.46Å; Y249-T252 PolarHBondContact O-N 3.04Å; Y249-T252 PolarHBondContact O-OG1 3.35Å; Y249-E253 PolarHBondContact O-N 2.73Å
250	I	95.7	Very high	94.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-54.1	-46.2	176.6	-70.1	164	0	0	0	110.3	F177 L180 N181 I184 D246 L247 H254 Y312	F177-I250 HydrophobicContact CE2-CD1 4.04Å; F177-I250 HydrophobicContact CE2-CG2 4.37Å; F177-I250 HydrophobicContact CZ-CD1 4.06Å; L180-I250 HydrophobicContact CD2-CG2 3.76Å; L180-I250 HydrophobicContact CG-CG2 3.95Å; N181-I250 HydrophobicContact CB-CD1 4.3Å; N181-I250 WeakPolarHBondContact OD1-CD1 3.24Å; I184-I250 HydrophobicContact CD1-CG2 4.09Å; I184-I250 WeakPolarHBondContact CD1-O 3.5Å; I184-I250 HydrophobicContact CG2-CG1 4.39Å; D246-I250 WeakPolarHBondContact O-CB 3.38Å; D246-I250 WeakPolarHBondContact O-CD1 3.33Å; D246-I250 WeakPolarHBondContact O-CG1 3.32Å; D246-I250 PolarHBondContact O-N 3.22Å; L247-I250 PolarHBondContact O-N 3Å; I250-H254 WeakPolarHBondContact O-CB 3.47Å; I250-H254 PolarHBondContact O-N 2.64Å; I250-Y312 HydrophobicContact CB-CE2 4.37Å; I250-Y312 HydrophobicContact CG2-CD2 4.24Å; I250-Y312 HydrophobicContact CG2-CE2 3.68Å
251	Y	95.9	Very high	94.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.1	-47.8	179.1	-178.4	-105.2	0	0	0	112.5	L247 L248 Y249 E253 H254 E255 I257 Y312 F315 A316 M319	L247-Y251 WeakPolarHBondContact O-CB 3.33Å; L247-Y251 PolarHBondContact O-N 3.05Å; L248-Y251 PolarHBondContact O-N 3.01Å; Y249-Y251 VanDerWaalsContact C-N 3.27Å; Y249-Y251 PolarHBondContact O-N 3.03Å; Y251-E253 PolarHBondContact O-N 3.43Å; Y251-H254 PolarHBondContact O-N 2.83Å; Y251-E255 HydrophobicContact CD2-CG 4.03Å; Y251-E255 HydrophobicContact CE1-CG 4.27Å; Y251-E255 HydrophobicContact CE2-CG 3.49Å; Y251-E255 VanDerWaalsContact CE2-CG 3.49Å; Y251-E255 PolarHBondContact O-N 3.1Å; Y251-I257 HydrophobicContact CD1-CD1 4.38Å; Y251-I257 HydrophobicContact CE1-CD1 3.69Å; Y251-Y312 HydrophobicContact CD2-CE2 4.29Å; Y251-F315 AromaticContact CD1-CE1 3.61Å; Y251-F315 HydrophobicContact CD1-CE1 3.61Å; Y251-F315 HydrophobicContact CD1-CZ 4.28Å; Y251-F315 HydrophobicContact CD2-CD1 4.19Å; Y251-F315 HydrophobicContact CD2-CE1 4.04Å; Y251-F315 HydrophobicContact CE1-CE1 4.2Å; Y251-F315 HydrophobicContact CG-CD1 4.08Å; Y251-F315 AromaticContact CG-CE1 3.53Å; Y251-F315 HydrophobicContact CG-CE1 3.53Å; Y251-A316 HydrophobicContact CD2-CB 4.18Å; Y251-A316 HydrophobicContact CE2-CB 4.05Å; Y251-M319 HydrophobicContact CE1-CB 3.82Å; Y251-M319 HydrophobicContact CE1-CE 4.05Å; Y251-M319 HydrophobicContact CE1-CG 3.94Å; Y251-M319 HydrophobicContact CE2-CB 3.96Å; Y251-M319 WeakPolarHBondContact OH-CB 3.48Å
252	T	93.6	Very high	94	Very high	7 Å²	7	27.8 Å²	27.8	4%	0.043	14%	0.14	C	C	.	.	H	α-helix	trans	-63.2	-40.7	-177.9	55.1	0	0	0	0	112.8	L248 Y249 N256 I257 Y259	L248-T252 VanDerWaalsContact O-CG2 3.28Å; L248-T252 WeakPolarHBondContact O-CG2 3.37Å; L248-T252 PolarHBondContact O-N 3.38Å; L248-T252 PolarHBondContact O-OG1 3.14Å; Y249-T252 WeakPolarHBondContact CA-OG1 3.46Å; Y249-T252 PolarHBondContact O-N 3.04Å; Y249-T252 PolarHBondContact O-OG1 3.35Å; T252-N256 WeakPolarHBondContact O-CA 3.32Å; T252-N256 PolarHBondContact O-N 3.29Å; T252-N256 VanDerWaalsContact O-N 3.14Å; T252-I257 CarbonylContact C-O 3.25Å; T252-I257 WeakPolarHBondContact CB-O 3.36Å; T252-I257 PolarHBondContact O-N 3.45Å; T252-I257 VanDerWaalsContact O-N 3.08Å; T252-I257 VanDerWaalsContact O-O 3.06Å; T252-Y259 HydrophobicContact CG2-CD2 4.43Å
253	E	91.6	Very high	93.9	Very high	46 Å²	46	25.7 Å²	25.7	22%	0.215	13%	0.128	C	C	.	.	H	α-helix	trans	-71.5	-39	176.9	-179.5	75.8	-173.7	0	0	111.4	I184 K210 Y249 Y251 N256	I184-E253 HydrophobicContact CB-CG 4.4Å; I184-E253 HydrophobicContact CD1-CB 3.98Å; I184-E253 HydrophobicContact CD1-CG 3.92Å; I184-E253 HydrophobicContact CG1-CB 4.34Å; I184-E253 HydrophobicContact CG1-CG 3.79Å; I184-E253 HydrophobicContact CG2-CB 4.02Å; I184-E253 HydrophobicContact CG2-CG 3.86Å; K210-E253 WeakPolarHBondContact CE-OE1 3.3Å; K210-E253 IonicContact NZ-OE1 3.02Å; K210-E253 PolarHBondContact NZ-OE1 3.28Å; Y249-E253 PolarHBondContact O-N 2.73Å; Y251-E253 PolarHBondContact O-N 3.43Å; E253-N256 PolarHBondContact O-N 2.9Å
254	H	91.5	Very high	93.9	Very high	63 Å²	63	25.5 Å²	25.5	29%	0.292	13%	0.127	S	C	.	.	H	α-helix	trans	-63.5	-49.7	178.4	175.1	-106.1	0	0	0	112.7	Y176 L180 I184 I250 Y251 N256 Y312	Y176-H254 PolarHBondContact OH-CE1 3.18Å; Y176-H254 PolarHBondContact OH-NE2 3.03Å; L180-H254 HydrophobicContact CD1-CB 4Å; L180-H254 WeakPolarHBondContact CD1-CD2 3.31Å; L180-H254 HydrophobicContact CD2-CB 4Å; I184-H254 HydrophobicContact CD1-CB 4.09Å; I250-H254 WeakPolarHBondContact O-CB 3.47Å; I250-H254 PolarHBondContact O-N 2.64Å; Y251-H254 PolarHBondContact O-N 2.83Å; H254-N256 PolarHBondContact O-N 3.16Å; H254-Y312 PolarHBondContact ND1-OH 3.27Å
255	E	90.7	Very high	93.8	Very high	49 Å²	49	27.1 Å²	27.1	23%	0.229	14%	0.135	C	C	.	.	H	α-helix	trans	-81.6	-4.5	-178.4	-65.5	-69.4	127.8	0	0	113	Y251 I257 K323	Y251-E255 HydrophobicContact CD2-CG 4.03Å; Y251-E255 HydrophobicContact CE1-CG 4.27Å; Y251-E255 HydrophobicContact CE2-CG 3.49Å; Y251-E255 VanDerWaalsContact CE2-CG 3.49Å; Y251-E255 PolarHBondContact O-N 3.1Å; E255-I257 VanDerWaalsContact C-N 3.27Å; E255-I257 HydrophobicContact CB-CD1 4.22Å; E255-I257 HydrophobicContact CB-CG1 4.05Å; E255-I257 HydrophobicContact CB-CG2 4.25Å; E255-I257 PolarHBondContact O-N 2.96Å; E255-K323 IonicContact OE2-NZ 3.65Å; E255-K323 PolarHBondContact OE2-NZ 3.33Å
256	N	88.6	Confident	93.8	Very high	91 Å²	91	26.2 Å²	26.2	49%	0.487	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	40.9	-175.2	-166.7	37.7	0	0	0	113.3	T252 E253 H254	T252-N256 WeakPolarHBondContact O-CA 3.32Å; T252-N256 PolarHBondContact O-N 3.29Å; T252-N256 VanDerWaalsContact O-N 3.14Å; E253-N256 PolarHBondContact O-N 2.9Å; H254-N256 PolarHBondContact O-N 3.16Å
257	I	88.7	Confident	93.8	Very high	17 Å²	17	24.8 Å²	24.8	9%	0.087	12%	0.122	C	C	.	.	B	Isolated β-bridge	trans	-117.4	150.8	177.1	66.6	177.4	0	0	0	110	Y251 T252 E255 M263	Y251-I257 HydrophobicContact CD1-CD1 4.38Å; Y251-I257 HydrophobicContact CE1-CD1 3.69Å; T252-I257 CarbonylContact C-O 3.25Å; T252-I257 WeakPolarHBondContact CB-O 3.36Å; T252-I257 PolarHBondContact O-N 3.45Å; T252-I257 VanDerWaalsContact O-N 3.08Å; T252-I257 VanDerWaalsContact O-O 3.06Å; E255-I257 VanDerWaalsContact C-N 3.27Å; E255-I257 HydrophobicContact CB-CD1 4.22Å; E255-I257 HydrophobicContact CB-CG1 4.05Å; E255-I257 HydrophobicContact CB-CG2 4.25Å; E255-I257 PolarHBondContact O-N 2.96Å; I257-M263 HydrophobicContact CD1-CE 3.77Å
258	S	89.8	Confident	93.8	Very high	29 Å²	29	24.8 Å²	24.8	20%	0.203	12%	0.122	C	C	.	.			trans	-71.5	145.6	171.7	56.8	0	0	0	0	110.7	Q260 T329	S258-Q260 PolarHBondContact O-N 3.3Å; S258-Q260 PolarHBondContact OG-NE2 2.97Å; S258-T329 PolarHBondContact OG-O 3.41Å; S258-T329 PolarHBondContact OG-OG1 2.81Å
259	Y	93.8	Very high	93.8	Very high	16 Å²	16	24.8 Å²	24.8	6%	0.063	12%	0.122	C	C	.	.			trans	-55.8	129.3	167.4	174.1	-105.9	0	0	0	110.3	L220 I221 D224 L248 T252 M263 H264	L220-Y259 HydrophobicContact CD2-CD1 3.94Å; L220-Y259 HydrophobicContact CG-CD1 4.03Å; L220-Y259 HydrophobicContact CG-CE1 4.49Å; I221-Y259 HydrophobicContact CD1-CD2 4.19Å; I221-Y259 HydrophobicContact CD1-CG 4.31Å; I221-Y259 HydrophobicContact CG1-CD1 3.88Å; I221-Y259 HydrophobicContact CG1-CD2 3.61Å; I221-Y259 HydrophobicContact CG1-CE1 4.18Å; I221-Y259 HydrophobicContact CG1-CE2 3.92Å; I221-Y259 HydrophobicContact CG1-CG 3.58Å; I221-Y259 HydrophobicContact CG2-CE2 4.4Å; D224-Y259 VanDerWaalsContact CB-OH 3.24Å; D224-Y259 WeakPolarHBondContact CB-OH 3.48Å; D224-Y259 VanDerWaalsContact OD2-CE1 3.24Å; D224-Y259 WeakPolarHBondContact OD2-CE1 3.27Å; D224-Y259 PolarHBondContact OD2-OH 3.28Å; L248-Y259 HydrophobicContact CD1-CE2 4.15Å; L248-Y259 HydrophobicContact CD2-CE2 4.43Å; T252-Y259 HydrophobicContact CG2-CD2 4.43Å; Y259-M263 HydrophobicContact CD2-CB 4.41Å; Y259-M263 HydrophobicContact CD2-SD 4.13Å; Y259-M263 HydrophobicContact CE2-CB 3.97Å; Y259-H264 PolarHBondContact OH-ND1 3.36Å
260	Q	92.7	Very high	93.9	Very high	39 Å²	39	24.7 Å²	24.7	18%	0.182	12%	0.122	C	C	.	.			trans	-114.5	135.5	175.6	-61	-65.5	-14.3	0	0	110	S258 G262 M263 Y326 P327 T329	S258-Q260 PolarHBondContact O-N 3.3Å; S258-Q260 PolarHBondContact OG-NE2 2.97Å; Q260-G262 PolarHBondContact O-N 2.92Å; Q260-M263 HydrophobicContact CB-CE 3.83Å; Q260-M263 HydrophobicContact CB-CG 4.41Å; Q260-M263 HydrophobicContact CB-SD 4.23Å; Q260-M263 HydrophobicContact CG-CE 3.96Å; Q260-M263 PolarHBondContact N-SD 3.29Å; Q260-M263 WeakPolarHBondContact O-CB 3.28Å; Q260-M263 VanDerWaalsContact O-CG 3.31Å; Q260-M263 WeakPolarHBondContact O-CG 3.41Å; Q260-M263 PolarHBondContact O-N 3.33Å; Q260-Y326 HydrophobicContact CB-CD1 3.49Å; Q260-Y326 VanDerWaalsContact CB-CD1 3.49Å; Q260-Y326 HydrophobicContact CB-CE1 4.06Å; Q260-Y326 HydrophobicContact CB-CG 4.18Å; Q260-Y326 HydrophobicContact CG-CD1 4.11Å; Q260-Y326 HydrophobicContact CG-CG 4.37Å; Q260-P327 PolarHBondContact NE2-O 3.44Å; Q260-T329 PolarHBondContact NE2-OG1 2.94Å
261	Q	91.5	Very high	93.9	Very high	122 Å²	122	24.7 Å²	24.7	57%	0.57	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	133.9	175.2	-177.2	-178.8	-27.1	0	0	109.8
262	G	93	Very high	93.9	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.01	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.3	-23.6	-175	0	0	0	0	0	113.9	Q260 H264 E265 I266	Q260-G262 PolarHBondContact O-N 2.92Å; G262-H264 PolarHBondContact N-CE1 3.16Å; G262-H264 VanDerWaalsContact N-CE1 3.28Å; G262-H264 PolarHBondContact N-ND1 2.82Å; G262-H264 PolarHBondContact O-N 2.85Å; G262-E265 WeakPolarHBondContact O-CB 3.47Å; G262-E265 PolarHBondContact O-N 3.44Å; G262-I266 PolarHBondContact O-N 3.28Å
263	M	95.5	Very high	94	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.015	12%	0.123	C	C	.	.	H	α-helix	trans	-58.3	-33.6	175	-72.3	177.3	174.2	0	0	112.2	L248 I257 Y259 Q260 E265 I266 L267 F315 M319 Y326	L248-M263 HydrophobicContact CD2-CB 3.92Å; I257-M263 HydrophobicContact CD1-CE 3.77Å; Y259-M263 HydrophobicContact CD2-CB 4.41Å; Y259-M263 HydrophobicContact CD2-SD 4.13Å; Y259-M263 HydrophobicContact CE2-CB 3.97Å; Q260-M263 HydrophobicContact CB-CE 3.83Å; Q260-M263 HydrophobicContact CB-CG 4.41Å; Q260-M263 HydrophobicContact CB-SD 4.23Å; Q260-M263 HydrophobicContact CG-CE 3.96Å; Q260-M263 PolarHBondContact N-SD 3.29Å; Q260-M263 WeakPolarHBondContact O-CB 3.28Å; Q260-M263 VanDerWaalsContact O-CG 3.31Å; Q260-M263 WeakPolarHBondContact O-CG 3.41Å; Q260-M263 PolarHBondContact O-N 3.33Å; M263-E265 VanDerWaalsContact C-N 3.31Å; M263-E265 PolarHBondContact O-N 2.95Å; M263-I266 PolarHBondContact O-N 3.48Å; M263-L267 PolarHBondContact O-N 3Å; M263-L267 VanDerWaalsContact O-N 3.08Å; M263-F315 HydrophobicContact CB-CZ 4.34Å; M263-F315 WeakPolarHBondContact O-CE2 3.39Å; M263-M319 HydrophobicContact CE-CE 3.63Å; M263-M319 HydrophobicContact CG-CE 3.82Å; M263-M319 HydrophobicContact CG-SD 4.33Å; M263-M319 HydrophobicContact SD-CE 4.22Å; M263-Y326 HydrophobicContact CG-CE1 4.35Å
264	H	96.6	Very high	94.2	Very high	3 Å²	3	23 Å²	23	1%	0.014	11%	0.114	C	C	.	.	H	α-helix	trans	-64.8	-31.8	175	60.5	-80.6	0	0	0	113.5	D224 V225 T228 M244 L248 Y259 G262 I266 L267 A268	D224-H264 VanDerWaalsContact CB-CE1 3.48Å; D224-H264 WeakPolarHBondContact CB-CE1 3.5Å; D224-H264 WeakPolarHBondContact CB-ND1 3.37Å; D224-H264 IonicContact OD2-CE1 3.87Å; D224-H264 PolarHBondContact OD2-CE1 3.44Å; D224-H264 IonicContact OD2-ND1 2.7Å; V225-H264 HydrophobicContact CG2-CB 4.32Å; T228-H264 PolarHBondContact OG1-CD2 3.14Å; M244-H264 HydrophobicContact CE-CB 4.43Å; L248-H264 HydrophobicContact CD1-CB 3.82Å; Y259-H264 PolarHBondContact OH-ND1 3.36Å; G262-H264 PolarHBondContact N-CE1 3.16Å; G262-H264 VanDerWaalsContact N-CE1 3.28Å; G262-H264 PolarHBondContact N-ND1 2.82Å; G262-H264 PolarHBondContact O-N 2.85Å; H264-I266 VanDerWaalsContact C-N 3.35Å; H264-L267 PolarHBondContact O-N 3.23Å; H264-A268 WeakPolarHBondContact O-CB 3.16Å; H264-A268 PolarHBondContact O-N 3.49Å; H264-A268 VanDerWaalsContact O-N 3.09Å
265	E	95.6	Very high	94.3	Very high	33 Å²	33	21.5 Å²	21.5	15%	0.154	11%	0.107	C	C	.	.	H	α-helix	trans	-76	-25.6	177.4	-56.1	-177.2	-112	0	0	111.7	G262 M263 P269 L493	G262-E265 WeakPolarHBondContact O-CB 3.47Å; G262-E265 PolarHBondContact O-N 3.44Å; M263-E265 VanDerWaalsContact C-N 3.31Å; M263-E265 PolarHBondContact O-N 2.95Å; E265-P269 WeakPolarHBondContact O-CD 3.29Å; E265-L493 HydrophobicContact CB-CD2 4.24Å
266	I	96.8	Very high	94.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-74.6	-41.3	170.3	-60	-59.9	0	0	0	111.1	G262 M263 H264 F315 I318 M319 L494 W508	G262-I266 PolarHBondContact O-N 3.28Å; M263-I266 PolarHBondContact O-N 3.48Å; H264-I266 VanDerWaalsContact C-N 3.35Å; I266-F315 HydrophobicContact CB-CE2 4.16Å; I266-F315 HydrophobicContact CG2-CD2 4.1Å; I266-F315 HydrophobicContact CG2-CE2 4.01Å; I266-I318 HydrophobicContact CG2-CG2 3.86Å; I266-M319 HydrophobicContact CG2-SD 4.34Å; I266-L494 HydrophobicContact CD1-CB 4.17Å; I266-L494 HydrophobicContact CD1-CD1 4.1Å; I266-L494 HydrophobicContact CD1-CG 3.97Å; I266-W508 HydrophobicContact CD1-CZ2 4.26Å; I266-W508 WeakPolarHBondContact O-CH2 3.23Å
267	L	98	Very high	94.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-66.9	-40.6	-179.8	-179.8	63.5	0	0	0	112.6	M244 L247 L248 M263 H264 L270 L271 V311 F315	M244-L267 HydrophobicContact CB-CD2 4.09Å; M244-L267 HydrophobicContact CG-CD2 4.1Å; L247-L267 HydrophobicContact CB-CD2 4.01Å; L247-L267 HydrophobicContact CD1-CD1 4.24Å; L247-L267 HydrophobicContact CD1-CD2 4.46Å; L248-L267 HydrophobicContact CD1-CD2 4.23Å; L248-L267 HydrophobicContact CD2-CB 4.34Å; L248-L267 HydrophobicContact CD2-CD2 4.08Å; L248-L267 HydrophobicContact CG-CD2 3.72Å; M263-L267 PolarHBondContact O-N 3Å; M263-L267 VanDerWaalsContact O-N 3.08Å; H264-L267 PolarHBondContact O-N 3.23Å; L267-L270 PolarHBondContact O-N 2.84Å; L267-L271 PolarHBondContact O-N 2.87Å; L267-L271 VanDerWaalsContact O-N 3.1Å; L267-V311 HydrophobicContact CD1-CG1 3.57Å; L267-F315 HydrophobicContact CB-CD2 3.82Å; L267-F315 HydrophobicContact CB-CE2 3.85Å; L267-F315 HydrophobicContact CD1-CB 3.85Å; L267-F315 HydrophobicContact CD1-CD2 3.86Å; L267-F315 HydrophobicContact CD1-CG 3.81Å; L267-F315 HydrophobicContact CG-CD2 4.44Å
268	A	97.4	Very high	94.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-57.8	-49	-169.8	0	0	0	0	0	114.7	T228 F229 F235 M244 H264 L270 L271 F272	T228-A268 HydrophobicContact CG2-CB 3.61Å; F229-A268 HydrophobicContact CD2-CB 3.76Å; F229-A268 HydrophobicContact CE2-CB 3.68Å; F235-A268 HydrophobicContact CD1-CB 4.36Å; F235-A268 HydrophobicContact CE1-CB 3.51Å; F235-A268 HydrophobicContact CZ-CB 3.61Å; F235-A268 WeakPolarHBondContact CZ-O 3.5Å; M244-A268 HydrophobicContact CE-CB 3.9Å; H264-A268 WeakPolarHBondContact O-CB 3.16Å; H264-A268 PolarHBondContact O-N 3.49Å; H264-A268 VanDerWaalsContact O-N 3.09Å; A268-L270 VanDerWaalsContact C-N 3.34Å; A268-L270 PolarHBondContact O-N 2.9Å; A268-L271 PolarHBondContact O-N 3.15Å; A268-F272 WeakPolarHBondContact O-CB 3.35Å; A268-F272 PolarHBondContact O-N 3.36Å
269	P	96.7	Very high	94.5	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-64.1	-34.9	179	-22.6	33.7	0	0	0	113.4	F229 E265 F272 V273 L501 L504 L505 W508	F229-P269 HydrophobicContact CE2-CG 4.11Å; F229-P269 HydrophobicContact CZ-CG 4.16Å; E265-P269 WeakPolarHBondContact O-CD 3.29Å; P269-F272 PolarHBondContact O-N 3.38Å; P269-V273 VanDerWaalsContact O-CG2 3.32Å; P269-V273 WeakPolarHBondContact O-CG2 3.4Å; P269-V273 PolarHBondContact O-N 3.21Å; P269-L501 HydrophobicContact CB-CD1 4.09Å; P269-L501 HydrophobicContact CG-CD1 4.13Å; P269-L504 HydrophobicContact CG-CD2 3.99Å; P269-L505 HydrophobicContact CB-CD2 4.03Å; P269-W508 HydrophobicContact CB-CE3 4.18Å; P269-W508 HydrophobicContact CB-CH2 3.87Å; P269-W508 HydrophobicContact CB-CZ3 3.62Å; P269-W508 HydrophobicContact CG-CH2 3.67Å; P269-W508 HydrophobicContact CG-CZ2 4.22Å; P269-W508 HydrophobicContact CG-CZ3 3.99Å
270	L	97.7	Very high	94	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-63.1	-48.5	176.3	-55.6	169.2	0	0	0	110.8	W152 L267 A268 F272 V273 L274 M314 F315 I318 W508	W152-L270 HydrophobicContact CE3-CD2 3.84Å; W152-L270 HydrophobicContact CZ3-CD2 3.73Å; L267-L270 PolarHBondContact O-N 2.84Å; A268-L270 VanDerWaalsContact C-N 3.34Å; A268-L270 PolarHBondContact O-N 2.9Å; L270-F272 VanDerWaalsContact C-N 3.32Å; L270-F272 PolarHBondContact O-N 3.44Å; L270-V273 PolarHBondContact O-N 3.48Å; L270-L274 WeakPolarHBondContact O-CB 3.49Å; L270-L274 PolarHBondContact O-N 2.8Å; L270-M314 HydrophobicContact CD1-CB 4.32Å; L270-M314 HydrophobicContact CD2-CB 4.36Å; L270-M314 HydrophobicContact CD2-CE 4.05Å; L270-F315 HydrophobicContact CD1-CB 3.88Å; L270-F315 HydrophobicContact CD1-CD2 4.22Å; L270-I318 HydrophobicContact CD1-CD1 3.8Å; L270-I318 HydrophobicContact CD2-CD1 3.48Å; L270-I318 VanDerWaalsContact CD2-CD1 3.48Å; L270-I318 HydrophobicContact CG-CD1 4.2Å; L270-W508 HydrophobicContact CD2-CE3 4.37Å; L270-W508 HydrophobicContact CD2-CZ3 3.86Å; L270-W508 HydrophobicContact CG-CZ3 4.03Å
271	L	97.1	Very high	93.7	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61.9	-42.9	179.2	-169.3	153.4	0	0	0	110.6	Y234 I240 I243 M244 L267 A268 H275 F307 V311	Y234-L271 HydrophobicContact CE1-CD2 3.41Å; Y234-L271 VanDerWaalsContact CE1-CD2 3.41Å; Y234-L271 WeakPolarHBondContact OH-CD2 3.41Å; I240-L271 HydrophobicContact CD1-CD2 4.36Å; I240-L271 HydrophobicContact CG2-CD2 3.71Å; I243-L271 HydrophobicContact CG2-CD1 3.8Å; M244-L271 HydrophobicContact CG-CD1 3.71Å; L267-L271 PolarHBondContact O-N 2.87Å; L267-L271 VanDerWaalsContact O-N 3.1Å; A268-L271 PolarHBondContact O-N 3.15Å; L271-H275 VanDerWaalsContact O-CB 3.31Å; L271-H275 WeakPolarHBondContact O-CB 3.46Å; L271-H275 PolarHBondContact O-N 3.26Å; L271-F307 HydrophobicContact CD2-CE1 4.46Å; L271-F307 HydrophobicContact CD2-CZ 4.06Å; L271-F307 HydrophobicContact CG-CE1 4.18Å; L271-F307 HydrophobicContact CG-CZ 3.83Å; L271-V311 HydrophobicContact CB-CG1 4.06Å; L271-V311 HydrophobicContact CD1-CG1 4.49Å; L271-V311 HydrophobicContact CG-CG1 4.44Å
272	F	95.9	Very high	93.4	Very high	11 Å²	11	13.1 Å²	13.1	5%	0.048	7%	0.07	C	C	.	.	H	α-helix	trans	-62.6	-50.7	176.6	178.8	-99.1	0	0	0	112.8	Y83 V232 Y234 F235 A268 P269 L270 L274 H275 C276 L501 L505	Y83-F272 HydrophobicContact CD1-CZ 4.48Å; Y83-F272 AromaticContact CE1-CZ 3.83Å; Y83-F272 HydrophobicContact CE1-CZ 3.83Å; V232-F272 HydrophobicContact CG1-CE2 4.35Å; Y234-F272 HydrophobicContact CD1-CB 4.43Å; Y234-F272 AromaticContact CD1-CD2 3.67Å; Y234-F272 HydrophobicContact CD1-CD2 3.67Å; Y234-F272 HydrophobicContact CE1-CB 4.36Å; Y234-F272 HydrophobicContact CE1-CD2 4.23Å; Y234-F272 AromaticContact CG-CD2 3.87Å; Y234-F272 HydrophobicContact CG-CD2 3.87Å; Y234-F272 HydrophobicContact CG-CE2 4.31Å; F235-F272 HydrophobicContact CZ-CB 3.92Å; A268-F272 WeakPolarHBondContact O-CB 3.35Å; A268-F272 PolarHBondContact O-N 3.36Å; P269-F272 PolarHBondContact O-N 3.38Å; L270-F272 VanDerWaalsContact C-N 3.32Å; L270-F272 PolarHBondContact O-N 3.44Å; F272-L274 PolarHBondContact O-N 3Å; F272-H275 PolarHBondContact O-N 2.94Å; F272-C276 PolarHBondContact O-N 2.99Å; F272-C276 PolarHBondContact O-SG 3.27Å; F272-C276 VanDerWaalsContact O-SG 3.36Å; F272-L501 HydrophobicContact CD1-CD2 3.95Å; F272-L501 HydrophobicContact CE1-CD2 3.98Å; F272-L501 HydrophobicContact CG-CD2 4.28Å; F272-L501 HydrophobicContact CZ-CD2 4.34Å; F272-L505 HydrophobicContact CE1-CD1 4.49Å
273	V	95.2	Very high	92.7	Very high	4 Å²	4	15.6 Å²	15.6	2%	0.024	8%	0.082	C	C	.	.	H	α-helix	trans	-61.1	-46.1	-179.3	169.5	0	0	0	0	111.1	R148 W152 P269 L270 H275 C276 D277 L505	R148-V273 HydrophobicContact CB-CG1 3.93Å; R148-V273 HydrophobicContact CG-CG1 3.94Å; W152-V273 HydrophobicContact CE3-CG1 4.42Å; W152-V273 HydrophobicContact CH2-CG2 3.84Å; W152-V273 HydrophobicContact CZ2-CG2 4.41Å; W152-V273 HydrophobicContact CZ3-CB 4.21Å; W152-V273 HydrophobicContact CZ3-CG1 4.49Å; W152-V273 HydrophobicContact CZ3-CG2 3.91Å; P269-V273 VanDerWaalsContact O-CG2 3.32Å; P269-V273 WeakPolarHBondContact O-CG2 3.4Å; P269-V273 PolarHBondContact O-N 3.21Å; L270-V273 PolarHBondContact O-N 3.48Å; V273-H275 VanDerWaalsContact C-N 3.3Å; V273-H275 PolarHBondContact O-N 3Å; V273-C276 PolarHBondContact O-N 3.32Å; V273-D277 PolarHBondContact O-N 3.37Å; V273-L505 HydrophobicContact CG2-CD1 3.96Å; V273-L505 HydrophobicContact CG2-CD2 3.5Å; V273-L505 VanDerWaalsContact CG2-CD2 3.5Å; V273-L505 HydrophobicContact CG2-CG 4.36Å
274	L	95.4	Very high	91.8	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.01	9%	0.086	C	C	.	.	H	α-helix	trans	-68	-32.6	-178.3	-156.9	136.6	0	0	0	111.8	L270 F272 L278 F307 D310 V311 M314	L270-L274 WeakPolarHBondContact O-CB 3.49Å; L270-L274 PolarHBondContact O-N 2.8Å; F272-L274 PolarHBondContact O-N 3Å; L274-L278 HydrophobicContact CD2-CD1 3.87Å; L274-L278 HydrophobicContact CD2-CG 4.34Å; L274-L278 WeakPolarHBondContact O-CB 3.45Å; L274-L278 WeakPolarHBondContact O-CG 3.25Å; L274-L278 PolarHBondContact O-N 2.99Å; L274-F307 HydrophobicContact CB-CE2 4.18Å; L274-F307 HydrophobicContact CD2-CD2 3.29Å; L274-F307 HydrophobicContact CD2-CE2 3.58Å; L274-F307 HydrophobicContact CD2-CG 4.44Å; L274-D310 HydrophobicContact CD1-CB 3.87Å; L274-D310 HydrophobicContact CD2-CB 4.32Å; L274-V311 HydrophobicContact CB-CG2 4.16Å; L274-V311 HydrophobicContact CD1-CG2 4.44Å; L274-V311 HydrophobicContact CD2-CG2 4.17Å; L274-V311 HydrophobicContact CG-CG2 4.49Å; L274-M314 HydrophobicContact CD1-SD 3.69Å
275	H	94	Very high	91.1	Very high	31 Å²	31	18.8 Å²	18.8	14%	0.144	10%	0.101	C	C	.	.	H	α-helix	trans	-66.8	-43.2	172.3	175.3	67.8	0	0	0	112.7	W76 Y234 L271 F272 V273 L278 T279 F307	W76-H275 AromaticContact CH2-CE1 3.81Å; W76-H275 AromaticContact CZ3-CE1 3.35Å; W76-H275 WeakPolarHBondContact CZ3-CE1 3.21Å; Y234-H275 AromaticContact CD2-CD2 3.74Å; Y234-H275 HydrophobicContact CE2-CB 4.13Å; Y234-H275 AromaticContact CE2-CD2 3.08Å; Y234-H275 WeakPolarHBondContact CE2-CD2 3.38Å; Y234-H275 AromaticContact CE2-CG 3.49Å; Y234-H275 VanDerWaalsContact CE2-CG 3.49Å; Y234-H275 AromaticContact CE2-NE2 3.49Å; Y234-H275 WeakPolarHBondContact CE2-NE2 3.47Å; Y234-H275 AromaticContact CZ-CD2 3.73Å; Y234-H275 AromaticContact CZ-CG 3.72Å; Y234-H275 VanDerWaalsContact OH-CB 3.22Å; Y234-H275 WeakPolarHBondContact OH-CB 3.4Å; Y234-H275 VanDerWaalsContact OH-CG 3.31Å; L271-H275 VanDerWaalsContact O-CB 3.31Å; L271-H275 WeakPolarHBondContact O-CB 3.46Å; L271-H275 PolarHBondContact O-N 3.26Å; F272-H275 PolarHBondContact O-N 2.94Å; V273-H275 VanDerWaalsContact C-N 3.3Å; V273-H275 PolarHBondContact O-N 3Å; H275-L278 PolarHBondContact O-N 3.34Å; H275-T279 PolarHBondContact O-N 3.19Å; H275-T279 PolarHBondContact O-OG1 3.44Å; H275-F307 HydrophobicContact CB-CE2 4.05Å; H275-F307 HydrophobicContact CB-CZ 4.09Å
276	C	91.1	Very high	90.4	Very high	29 Å²	29	24.2 Å²	24.2	20%	0.196	13%	0.127	C	C	.	.	H	α-helix	trans	-59.3	-46.9	175.8	-72.5	0	0	0	0	111.5	F272 V273 L278 T279 A280	F272-C276 PolarHBondContact O-N 2.99Å; F272-C276 PolarHBondContact O-SG 3.27Å; F272-C276 VanDerWaalsContact O-SG 3.36Å; V273-C276 PolarHBondContact O-N 3.32Å; C276-L278 PolarHBondContact O-N 2.9Å; C276-T279 PolarHBondContact O-N 3.21Å; C276-A280 WeakPolarHBondContact O-CB 3.45Å; C276-A280 PolarHBondContact O-N 3.33Å
277	D	90.6	Very high	89.5	Confident	6 Å²	6	27.5 Å²	27.5	3%	0.032	14%	0.143	C	C	.	.	H	α-helix	trans	-64.7	-39.6	179.2	-71.5	12.1	0	0	0	112.4	H146 F147 R148 S149 V273 T279 A280 F281 M302	H146-D277 WeakPolarHBondContact O-CA 3.42Å; H146-D277 VanDerWaalsContact O-CG 3.26Å; H146-D277 VanDerWaalsContact O-OD1 3.12Å; F147-D277 WeakPolarHBondContact CA-OD2 3.17Å; R148-D277 PolarHBondContact N-OD1 3.16Å; R148-D277 PolarHBondContact N-OD2 2.97Å; S149-D277 WeakPolarHBondContact CA-OD2 3.47Å; S149-D277 WeakPolarHBondContact CB-OD2 3.44Å; S149-D277 PolarHBondContact N-OD2 3.1Å; S149-D277 PolarHBondContact OG-OD2 3.5Å; V273-D277 PolarHBondContact O-N 3.37Å; D277-T279 VanDerWaalsContact C-N 3.33Å; D277-A280 PolarHBondContact O-N 2.87Å; D277-F281 WeakPolarHBondContact O-CB 3.04Å; D277-F281 PolarHBondContact O-N 3.48Å; D277-M302 HydrophobicContact CB-CE 3.44Å; D277-M302 VanDerWaalsContact CB-CE 3.44Å; D277-M302 WeakPolarHBondContact O-CE 3.32Å
278	L	91.8	Very high	88.5	Confident	14 Å²	14	34 Å²	34	7%	0.073	17%	0.171	C	C	.	.	H	α-helix	trans	-62.3	-42.5	174.8	-78.8	171.7	0	0	0	111.6	L274 H275 C276 F281 E282 M302 F307	L274-L278 HydrophobicContact CD2-CD1 3.87Å; L274-L278 HydrophobicContact CD2-CG 4.34Å; L274-L278 WeakPolarHBondContact O-CB 3.45Å; L274-L278 WeakPolarHBondContact O-CG 3.25Å; L274-L278 PolarHBondContact O-N 2.99Å; H275-L278 PolarHBondContact O-N 3.34Å; C276-L278 PolarHBondContact O-N 2.9Å; L278-F281 WeakPolarHBondContact O-CB 3.46Å; L278-F281 PolarHBondContact O-N 2.75Å; L278-E282 PolarHBondContact O-N 3.39Å; L278-M302 VanDerWaalsContact CD2-C 3.48Å; L278-M302 HydrophobicContact CD2-CB 4.16Å; L278-M302 HydrophobicContact CD2-CE 3.96Å; L278-M302 WeakPolarHBondContact CD2-O 3.41Å; L278-M302 HydrophobicContact CG-CE 4.03Å; L278-F307 HydrophobicContact CD1-CB 4.2Å; L278-F307 HydrophobicContact CD1-CD2 3.38Å; L278-F307 HydrophobicContact CD1-CE2 4.08Å; L278-F307 HydrophobicContact CD1-CG 4.15Å
279	T	89.1	Confident	87.4	Confident	64 Å²	64	37 Å²	37	39%	0.393	19%	0.186	S	C	.	.	H	α-helix	trans	-65.2	-41.5	177.8	-52.4	0	0	0	0	110.9	H275 C276 D277 F281 E282 H283	H275-T279 PolarHBondContact O-N 3.19Å; H275-T279 PolarHBondContact O-OG1 3.44Å; C276-T279 PolarHBondContact O-N 3.21Å; D277-T279 VanDerWaalsContact C-N 3.33Å; T279-F281 VanDerWaalsContact C-N 3.34Å; T279-E282 PolarHBondContact O-N 2.75Å; T279-H283 PolarHBondContact O-N 3.44Å
280	A	83.5	Confident	86.2	Confident	5 Å²	5	38.1 Å²	38.1	4%	0.041	19%	0.192	C	C	.	.	H	α-helix	trans	-62.5	-42.6	174.4	0	0	0	0	0	111.1	F91 H146 C276 D277 H283 V284	F91-A280 HydrophobicContact CE2-CB 4.32Å; H146-A280 HydrophobicContact CB-CB 4.18Å; C276-A280 WeakPolarHBondContact O-CB 3.45Å; C276-A280 PolarHBondContact O-N 3.33Å; D277-A280 PolarHBondContact O-N 2.87Å; A280-H283 WeakPolarHBondContact O-CB 2.99Å; A280-H283 PolarHBondContact O-N 2.99Å; A280-V284 WeakPolarHBondContact O-CG2 3.37Å; A280-V284 PolarHBondContact O-N 2.9Å; A280-V284 VanDerWaalsContact O-N 3.07Å
281	F	86.1	Confident	85	Confident	7 Å²	7	39.8 Å²	39.8	3%	0.031	20%	0.203	C	C	.	.	H	α-helix	trans	-61.4	-45.5	177	-177.7	-111.6	0	0	0	112.6	F147 D277 L278 T279 H283 V284 V285 I290 L298 N299 M302	F147-F281 HydrophobicContact CE1-CB 4.11Å; F147-F281 HydrophobicContact CE1-CD2 4.12Å; F147-F281 HydrophobicContact CZ-CD2 4.48Å; D277-F281 WeakPolarHBondContact O-CB 3.04Å; D277-F281 PolarHBondContact O-N 3.48Å; L278-F281 WeakPolarHBondContact O-CB 3.46Å; L278-F281 PolarHBondContact O-N 2.75Å; T279-F281 VanDerWaalsContact C-N 3.34Å; F281-H283 VanDerWaalsContact C-N 3.26Å; F281-H283 PolarHBondContact O-N 3.47Å; F281-V284 PolarHBondContact O-N 3.15Å; F281-V285 HydrophobicContact CD1-CG2 4.22Å; F281-V285 HydrophobicContact CD2-CG2 4.36Å; F281-V285 HydrophobicContact CE1-CG2 3.77Å; F281-V285 HydrophobicContact CE2-CG2 3.9Å; F281-V285 HydrophobicContact CZ-CG2 3.59Å; F281-V285 WeakPolarHBondContact O-CG2 3.48Å; F281-V285 PolarHBondContact O-N 3.02Å; F281-I290 HydrophobicContact CD2-CD1 4.34Å; F281-I290 HydrophobicContact CE2-CD1 3.69Å; F281-I290 HydrophobicContact CZ-CD1 4.44Å; F281-L298 HydrophobicContact CD2-CB 4.47Å; F281-L298 HydrophobicContact CE2-CB 3.61Å; F281-L298 HydrophobicContact CE2-CD1 4.3Å; F281-L298 HydrophobicContact CZ-CB 4.09Å; F281-N299 HydrophobicContact CE1-CB 4.45Å; F281-N299 HydrophobicContact CZ-CB 4.06Å; F281-M302 HydrophobicContact CB-CB 4.03Å; F281-M302 HydrophobicContact CB-CE 4.48Å; F281-M302 HydrophobicContact CB-CG 4.35Å; F281-M302 HydrophobicContact CD1-CB 3.46Å; F281-M302 VanDerWaalsContact CD1-CB 3.46Å; F281-M302 HydrophobicContact CD1-CG 4.46Å; F281-M302 HydrophobicContact CD2-CB 4.12Å; F281-M302 HydrophobicContact CD2-CG 4.31Å; F281-M302 HydrophobicContact CE1-CB 3.92Å; F281-M302 HydrophobicContact CG-CB 3.58Å; F281-M302 HydrophobicContact CG-CG 4.1Å; F281-M302 HydrophobicContact CZ-CB 4.43Å
282	E	84.7	Confident	84	Confident	63 Å²	63	44 Å²	44	29%	0.294	23%	0.232	S	C	.	.	H	α-helix	trans	-56.3	-42	176.2	-74.4	-173.4	149.6	0	0	111.3	L278 T279 V285 E286 K304	L278-E282 PolarHBondContact O-N 3.39Å; T279-E282 PolarHBondContact O-N 2.75Å; E282-V285 PolarHBondContact O-N 3.03Å; E282-E286 WeakPolarHBondContact O-CG 3.31Å; E282-E286 PolarHBondContact O-N 3.38Å; E282-K304 WeakPolarHBondContact OE1-CD 3.46Å; E282-K304 IonicContact OE1-NZ 2.7Å; E282-K304 PolarHBondContact OE1-NZ 3.15Å
283	H	79.2	Confident	82.8	Confident	53 Å²	53	49.3 Å²	49.3	25%	0.245	26%	0.261	C	S	.	.	H	α-helix	trans	-64.5	-44	176.8	-170.6	63.7	0	0	0	113.5	F91 T279 A280 F281 V285 E286 M287	F91-H283 HydrophobicContact CE1-CB 4.12Å; F91-H283 AromaticContact CE1-CD2 3.16Å; F91-H283 WeakPolarHBondContact CE1-CD2 3.26Å; F91-H283 AromaticContact CE1-CG 3.63Å; F91-H283 AromaticContact CE1-NE2 3.52Å; F91-H283 HydrophobicContact CZ-CB 4.03Å; F91-H283 AromaticContact CZ-CD2 3.55Å; F91-H283 AromaticContact CZ-CG 3.97Å; T279-H283 PolarHBondContact O-N 3.44Å; A280-H283 WeakPolarHBondContact O-CB 2.99Å; A280-H283 PolarHBondContact O-N 2.99Å; F281-H283 VanDerWaalsContact C-N 3.26Å; F281-H283 PolarHBondContact O-N 3.47Å; H283-V285 VanDerWaalsContact C-N 3.26Å; H283-V285 PolarHBondContact O-N 2.71Å; H283-E286 IonicContact ND1-OE2 3.93Å; H283-E286 WeakPolarHBondContact O-CB 3.38Å; H283-E286 PolarHBondContact O-N 3.34Å; H283-M287 VanDerWaalsContact CD2-SD 3.57Å; H283-M287 WeakPolarHBondContact NE2-CE 3.43Å; H283-M287 WeakPolarHBondContact O-CG 3.46Å; H283-M287 PolarHBondContact O-N 3.13Å; H283-M287 VanDerWaalsContact O-N 3.13Å
284	V	76.6	Confident	81.7	Confident	19 Å²	19	49.9 Å²	49.9	12%	0.115	26%	0.264	C	S	.	.	H	α-helix	trans	-64.6	-34.7	178.6	-179.1	0	0	0	0	110.8	I105 A280 F281 M287 K288 I290	I105-V284 HydrophobicContact CD1-CG1 4.16Å; I105-V284 HydrophobicContact CG1-CG1 4.43Å; A280-V284 WeakPolarHBondContact O-CG2 3.37Å; A280-V284 PolarHBondContact O-N 2.9Å; A280-V284 VanDerWaalsContact O-N 3.07Å; F281-V284 PolarHBondContact O-N 3.15Å; V284-M287 PolarHBondContact O-N 3.15Å; V284-K288 PolarHBondContact O-N 3.48Å; V284-I290 HydrophobicContact CB-CD1 4.34Å; V284-I290 HydrophobicContact CG1-CD1 3.71Å; V284-I290 HydrophobicContact CG1-CG1 3.46Å; V284-I290 VanDerWaalsContact CG1-CG1 3.46Å
285	V	80.9	Confident	80.9	Confident	54 Å²	54	54.9 Å²	54.9	33%	0.327	28%	0.283	S	S	.	.	H	α-helix	trans	-64.5	-44.8	173.6	171.5	0	0	0	0	111.3	F281 E282 H283 M287 K288 I290	F281-V285 HydrophobicContact CD1-CG2 4.22Å; F281-V285 HydrophobicContact CD2-CG2 4.36Å; F281-V285 HydrophobicContact CE1-CG2 3.77Å; F281-V285 HydrophobicContact CE2-CG2 3.9Å; F281-V285 HydrophobicContact CZ-CG2 3.59Å; F281-V285 WeakPolarHBondContact O-CG2 3.48Å; F281-V285 PolarHBondContact O-N 3.02Å; E282-V285 PolarHBondContact O-N 3.03Å; H283-V285 VanDerWaalsContact C-N 3.26Å; H283-V285 PolarHBondContact O-N 2.71Å; V285-M287 PolarHBondContact O-N 3.03Å; V285-K288 PolarHBondContact O-N 2.94Å; V285-K288 VanDerWaalsContact O-N 3.1Å; V285-I290 HydrophobicContact CG2-CD1 3.94Å
286	E	81.2	Confident	80.2	Confident	147 Å²	147	58.2 Å²	58.2	69%	0.687	30%	0.302	S	S	*	.	H	α-helix	trans	-59	-35.3	176.5	-73.2	176.3	170.9	0	0	112.5	E282 H283 K288	E282-E286 WeakPolarHBondContact O-CG 3.31Å; E282-E286 PolarHBondContact O-N 3.38Å; H283-E286 IonicContact ND1-OE2 3.93Å; H283-E286 WeakPolarHBondContact O-CB 3.38Å; H283-E286 PolarHBondContact O-N 3.34Å; E286-K288 VanDerWaalsContact C-N 3.28Å; E286-K288 PolarHBondContact O-N 3.49Å
287	M	77.3	Confident	79.5	Confident	68 Å²	68	60.1 Å²	60.1	34%	0.335	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-10.3	-180	-66.3	172.8	145.9	0	0	114.1	M101 H283 V284 V285 I289	M101-M287 HydrophobicContact CE-CE 3.55Å; M101-M287 HydrophobicContact CE-SD 3.46Å; M101-M287 WeakPolarHBondContact CE-SD 3.27Å; M101-M287 HydrophobicContact SD-CE 3.8Å; M101-M287 HydrophobicContact SD-SD 3.23Å; H283-M287 VanDerWaalsContact CD2-SD 3.57Å; H283-M287 WeakPolarHBondContact NE2-CE 3.43Å; H283-M287 WeakPolarHBondContact O-CG 3.46Å; H283-M287 PolarHBondContact O-N 3.13Å; H283-M287 VanDerWaalsContact O-N 3.13Å; V284-M287 PolarHBondContact O-N 3.15Å; V285-M287 PolarHBondContact O-N 3.03Å; M287-I289 VanDerWaalsContact C-N 3.25Å; M287-I289 HydrophobicContact CB-CD1 3.71Å; M287-I289 HydrophobicContact CB-CG1 3.69Å; M287-I289 WeakPolarHBondContact O-CG1 3.34Å; M287-I289 PolarHBondContact O-N 3.36Å; M287-I289 HydrophobicContact SD-CD1 4.2Å
288	K	77.6	Confident	79.1	Confident	136 Å²	136	60 Å²	60	59%	0.591	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	34	179.2	-54.9	-177.5	179.1	-176.9	0	114.4	L44 V284 V285 E286	L44-K288 VanDerWaalsContact CD1-NZ 3.28Å; V284-K288 PolarHBondContact O-N 3.48Å; V285-K288 PolarHBondContact O-N 2.94Å; V285-K288 VanDerWaalsContact O-N 3.1Å; E286-K288 VanDerWaalsContact C-N 3.28Å; E286-K288 PolarHBondContact O-N 3.49Å
289	I	73.5	Confident	78.8	Confident	63 Å²	63	62.1 Å²	62.1	32%	0.323	32%	0.321	S	S	.	.			trans	-92.7	-14	-177.7	-46.1	176.4	0	0	0	111.6	M101 I105 M287 P291	M101-I289 HydrophobicContact CB-CD1 4.45Å; M101-I289 HydrophobicContact CE-CD1 3.43Å; M101-I289 VanDerWaalsContact CE-CD1 3.43Å; M101-I289 HydrophobicContact SD-CD1 3.87Å; I105-I289 HydrophobicContact CD1-CB 3.56Å; I105-I289 HydrophobicContact CD1-CG2 3.26Å; M287-I289 VanDerWaalsContact C-N 3.25Å; M287-I289 HydrophobicContact CB-CD1 3.71Å; M287-I289 HydrophobicContact CB-CG1 3.69Å; M287-I289 WeakPolarHBondContact O-CG1 3.34Å; M287-I289 PolarHBondContact O-N 3.36Å; M287-I289 HydrophobicContact SD-CD1 4.2Å; I289-P291 WeakPolarHBondContact O-CD 3.37Å
290	I	71	Confident	78.7	Confident	25 Å²	25	62.3 Å²	62.3	13%	0.128	32%	0.315	C	S	.	.	S	Bend	trans	-73.2	125.7	-176.6	-48.4	-176	0	0	0	110.2	F281 V284 V285 L294 W295 L298	F281-I290 HydrophobicContact CD2-CD1 4.34Å; F281-I290 HydrophobicContact CE2-CD1 3.69Å; F281-I290 HydrophobicContact CZ-CD1 4.44Å; V284-I290 HydrophobicContact CB-CD1 4.34Å; V284-I290 HydrophobicContact CG1-CD1 3.71Å; V284-I290 HydrophobicContact CG1-CG1 3.46Å; V284-I290 VanDerWaalsContact CG1-CG1 3.46Å; V285-I290 HydrophobicContact CG2-CD1 3.94Å; I290-L294 HydrophobicContact CG2-CB 4.21Å; I290-L294 HydrophobicContact CG2-CD2 4.42Å; I290-L294 HydrophobicContact CG2-CG 4.37Å; I290-W295 HydrophobicContact CG2-CB 4.1Å; I290-L298 HydrophobicContact CG2-CD1 4.27Å
291	P	74.2	Confident	79	Confident	35 Å²	35	62.2 Å²	62.2	23%	0.227	31%	0.314	C	S	.	.			trans	-57	142.2	170	-22.3	33.1	0	0	0	111.3	I289 D293 L294 W295	I289-P291 WeakPolarHBondContact O-CD 3.37Å; P291-D293 PolarHBondContact O-N 2.88Å; P291-D293 VanDerWaalsContact O-N 3.1Å; P291-L294 PolarHBondContact O-N 3.47Å; P291-L294 VanDerWaalsContact O-N 3.11Å; P291-W295 PolarHBondContact O-N 2.98Å
292	S	74.9	Confident	79.2	Confident	88 Å²	88	62.2 Å²	62.2	62%	0.615	31%	0.314	S	S	*	.	H	α-helix	trans	-50.1	-39.1	179.5	44.3	0	0	0	0	113.2	L294 W295	S292-L294 VanDerWaalsContact C-N 3.32Å; S292-L294 PolarHBondContact O-N 3.09Å; S292-W295 PolarHBondContact O-N 3.06Å
293	D	71.7	Confident	79.5	Confident	123 Å²	123	60.9 Å²	60.9	66%	0.658	31%	0.309	S	S	*	.	H	α-helix	trans	-70.4	-34	-172.1	-42.7	-20.8	0	0	0	111	P291	P291-D293 PolarHBondContact O-N 2.88Å; P291-D293 VanDerWaalsContact O-N 3.1Å
294	L	71.5	Confident	80.1	Confident	15 Å²	15	62.4 Å²	62.4	8%	0.079	32%	0.315	C	S	.	.	H	α-helix	trans	-86.3	-25.6	179.2	-174.1	63.3	0	0	0	112.1	V108 I112 I290 P291 S292 N296 D297 L298	V108-L294 HydrophobicContact CG1-CD2 4.29Å; I112-L294 HydrophobicContact CB-CD1 4.06Å; I112-L294 HydrophobicContact CD1-CD1 4.16Å; I112-L294 HydrophobicContact CG2-CD1 3.43Å; I112-L294 VanDerWaalsContact CG2-CD1 3.43Å; I290-L294 HydrophobicContact CG2-CB 4.21Å; I290-L294 HydrophobicContact CG2-CD2 4.42Å; I290-L294 HydrophobicContact CG2-CG 4.37Å; P291-L294 PolarHBondContact O-N 3.47Å; P291-L294 VanDerWaalsContact O-N 3.11Å; S292-L294 VanDerWaalsContact C-N 3.32Å; S292-L294 PolarHBondContact O-N 3.09Å; L294-N296 VanDerWaalsContact C-N 3.34Å; L294-N296 PolarHBondContact O-N 3.11Å; L294-D297 PolarHBondContact O-N 3.01Å; L294-L298 HydrophobicContact CD1-CD1 4.26Å; L294-L298 HydrophobicContact CD1-CG 4.11Å; L294-L298 HydrophobicContact CD2-CD1 3.75Å; L294-L298 HydrophobicContact CD2-CG 4.5Å; L294-L298 HydrophobicContact CG-CD1 3.61Å; L294-L298 HydrophobicContact CG-CG 3.9Å; L294-L298 WeakPolarHBondContact O-CB 3.43Å; L294-L298 PolarHBondContact O-N 3.44Å
295	W	78	Confident	80.9	Confident	108 Å²	108	68.8 Å²	68.8	41%	0.409	34%	0.343	S	S	.	.	H	α-helix	trans	-59.4	-43.1	-176.3	179.5	84.2	0	0	0	112	I290 P291 S292 D297 N299	I290-W295 HydrophobicContact CG2-CB 4.1Å; P291-W295 PolarHBondContact O-N 2.98Å; S292-W295 PolarHBondContact O-N 3.06Å; W295-D297 PolarHBondContact O-N 3.36Å; W295-N299 HydrophobicContact CD2-CB 4.28Å; W295-N299 HydrophobicContact CZ2-CB 4.27Å; W295-N299 WeakPolarHBondContact O-CA 3.24Å; W295-N299 WeakPolarHBondContact O-CB 3.29Å; W295-N299 PolarHBondContact O-N 3.45Å
296	N	79.5	Confident	81.5	Confident	101 Å²	101	69.8 Å²	69.8	54%	0.54	34%	0.342	S	S	.	.	H	α-helix	trans	-60	-47.8	-178.6	-72.8	-39.8	0	0	0	111.9	L294 Y300	L294-N296 VanDerWaalsContact C-N 3.34Å; L294-N296 PolarHBondContact O-N 3.11Å; N296-Y300 WeakPolarHBondContact O-CB 3.11Å; N296-Y300 PolarHBondContact O-N 2.9Å; N296-Y300 VanDerWaalsContact O-N 3.08Å
297	D	76.9	Confident	82.2	Confident	68 Å²	68	63.1 Å²	63.1	36%	0.364	31%	0.31	S	S	.	.	H	α-helix	trans	-68.1	-50.8	-178.8	-67.1	-29	0	0	0	110.9	L294 W295 N299 Y300 I301	L294-D297 PolarHBondContact O-N 3.01Å; W295-D297 PolarHBondContact O-N 3.36Å; D297-N299 PolarHBondContact O-N 2.86Å; D297-Y300 PolarHBondContact O-N 3.41Å; D297-Y300 VanDerWaalsContact O-N 3.15Å; D297-I301 HydrophobicContact CB-CD1 4.36Å; D297-I301 WeakPolarHBondContact O-CD1 3.34Å; D297-I301 WeakPolarHBondContact O-CG1 3.47Å; D297-I301 PolarHBondContact O-N 2.8Å
298	L	81.8	Confident	83.2	Confident	4 Å²	4	61.7 Å²	61.7	2%	0.021	30%	0.303	C	S	.	.	H	α-helix	trans	-61.7	-43.5	179.5	-78.5	-178	0	0	0	112.4	V108 I112 I150 F281 I290 L294 Y300 I301 M302	V108-L298 HydrophobicContact CG1-CD1 4.06Å; V108-L298 HydrophobicContact CG1-CD2 4.2Å; I112-L298 HydrophobicContact CD1-CD2 3.29Å; I112-L298 HydrophobicContact CD1-CG 4.03Å; I150-L298 HydrophobicContact CD1-CD2 4.29Å; F281-L298 HydrophobicContact CD2-CB 4.47Å; F281-L298 HydrophobicContact CE2-CB 3.61Å; F281-L298 HydrophobicContact CE2-CD1 4.3Å; F281-L298 HydrophobicContact CZ-CB 4.09Å; I290-L298 HydrophobicContact CG2-CD1 4.27Å; L294-L298 HydrophobicContact CD1-CD1 4.26Å; L294-L298 HydrophobicContact CD1-CG 4.11Å; L294-L298 HydrophobicContact CD2-CD1 3.75Å; L294-L298 HydrophobicContact CD2-CG 4.5Å; L294-L298 HydrophobicContact CG-CD1 3.61Å; L294-L298 HydrophobicContact CG-CG 3.9Å; L294-L298 WeakPolarHBondContact O-CB 3.43Å; L294-L298 PolarHBondContact O-N 3.44Å; L298-Y300 PolarHBondContact O-N 3.3Å; L298-I301 PolarHBondContact O-N 2.84Å; L298-M302 WeakPolarHBondContact O-CA 3.21Å; L298-M302 VanDerWaalsContact O-CB 3.27Å; L298-M302 WeakPolarHBondContact O-CB 3.47Å; L298-M302 PolarHBondContact O-N 2.93Å
299	N	86	Confident	84.1	Confident	59 Å²	59	55.4 Å²	55.4	32%	0.316	28%	0.276	S	S	.	.	H	α-helix	trans	-64.5	-31.9	178.4	-173.1	54.5	0	0	0	111.6	F281 W295 D297 N303	F281-N299 HydrophobicContact CE1-CB 4.45Å; F281-N299 HydrophobicContact CZ-CB 4.06Å; W295-N299 HydrophobicContact CD2-CB 4.28Å; W295-N299 HydrophobicContact CZ2-CB 4.27Å; W295-N299 WeakPolarHBondContact O-CA 3.24Å; W295-N299 WeakPolarHBondContact O-CB 3.29Å; W295-N299 PolarHBondContact O-N 3.45Å; D297-N299 PolarHBondContact O-N 2.86Å; N299-N303 WeakPolarHBondContact O-CB 3.26Å; N299-N303 PolarHBondContact O-N 3.27Å
300	Y	87.6	Confident	85.2	Confident	68 Å²	68	52.8 Å²	52.8	27%	0.267	26%	0.263	S	S	.	.	H	α-helix	trans	-72.3	-44.8	173.2	-169	-96.3	0	0	0	112.3	S167 L170 K171 R174 N296 D297 L298	S167-Y300 WeakPolarHBondContact O-CE1 3.41Å; L170-Y300 HydrophobicContact CB-CE1 3.88Å; L170-Y300 HydrophobicContact CD1-CD1 4.22Å; L170-Y300 HydrophobicContact CD1-CE1 4.33Å; K171-Y300 WeakPolarHBondContact CA-OH 3.42Å; K171-Y300 WeakPolarHBondContact CB-OH 3.2Å; R174-Y300 PolarHBondContact NH1-O 3.45Å; R174-Y300 PolarHBondContact NH2-O 3.49Å; R174-Y300 VanDerWaalsContact NH2-O 3.12Å; N296-Y300 WeakPolarHBondContact O-CB 3.11Å; N296-Y300 PolarHBondContact O-N 2.9Å; N296-Y300 VanDerWaalsContact O-N 3.08Å; D297-Y300 PolarHBondContact O-N 3.41Å; D297-Y300 VanDerWaalsContact O-N 3.15Å; L298-Y300 PolarHBondContact O-N 3.3Å
301	I	89.2	Confident	86.5	Confident	3 Å²	3	51.6 Å²	51.6	2%	0.015	26%	0.257	C	S	.	.	H	α-helix	trans	-68.2	-42.7	-178.6	-61.4	151.5	0	0	0	111.4	I150 R153 W166 L170 R174 D297 L298 N303	I150-I301 HydrophobicContact CD1-CG2 4.13Å; I150-I301 HydrophobicContact CG1-CG2 4.21Å; R153-I301 PolarHBondContact NH1-O 3.48Å; W166-I301 HydrophobicContact CE3-CD1 3.38Å; W166-I301 HydrophobicContact CE3-CG1 4.06Å; W166-I301 HydrophobicContact CZ3-CD1 3.68Å; L170-I301 HydrophobicContact CD1-CB 4.21Å; L170-I301 HydrophobicContact CD1-CG1 3.88Å; L170-I301 HydrophobicContact CD1-CG2 4.33Å; R174-I301 PolarHBondContact NH2-O 3.12Å; R174-I301 VanDerWaalsContact NH2-O 3.07Å; D297-I301 HydrophobicContact CB-CD1 4.36Å; D297-I301 WeakPolarHBondContact O-CD1 3.34Å; D297-I301 WeakPolarHBondContact O-CG1 3.47Å; D297-I301 PolarHBondContact O-N 2.8Å; L298-I301 PolarHBondContact O-N 2.84Å; I301-N303 PolarHBondContact O-N 3.45Å
302	M	89.1	Confident	87.7	Confident	6 Å²	6	50 Å²	50	3%	0.03	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	37.8	-175.9	-58.3	-54.7	-64.2	0	0	111.7	F147 I150 R153 D277 L278 F281 L298	F147-M302 HydrophobicContact CD1-CG 4.48Å; F147-M302 HydrophobicContact CE1-CG 4.46Å; I150-M302 HydrophobicContact CD1-SD 4.12Å; I150-M302 HydrophobicContact CG1-SD 4.14Å; R153-M302 PolarHBondContact NH2-SD 3.41Å; R153-M302 VanDerWaalsContact NH2-SD 3.37Å; D277-M302 HydrophobicContact CB-CE 3.44Å; D277-M302 VanDerWaalsContact CB-CE 3.44Å; D277-M302 WeakPolarHBondContact O-CE 3.32Å; L278-M302 VanDerWaalsContact CD2-C 3.48Å; L278-M302 HydrophobicContact CD2-CB 4.16Å; L278-M302 HydrophobicContact CD2-CE 3.96Å; L278-M302 WeakPolarHBondContact CD2-O 3.41Å; L278-M302 HydrophobicContact CG-CE 4.03Å; F281-M302 HydrophobicContact CB-CB 4.03Å; F281-M302 HydrophobicContact CB-CE 4.48Å; F281-M302 HydrophobicContact CB-CG 4.35Å; F281-M302 HydrophobicContact CD1-CB 3.46Å; F281-M302 VanDerWaalsContact CD1-CB 3.46Å; F281-M302 HydrophobicContact CD1-CG 4.46Å; F281-M302 HydrophobicContact CD2-CB 4.12Å; F281-M302 HydrophobicContact CD2-CG 4.31Å; F281-M302 HydrophobicContact CE1-CB 3.92Å; F281-M302 HydrophobicContact CG-CB 3.58Å; F281-M302 HydrophobicContact CG-CG 4.1Å; F281-M302 HydrophobicContact CZ-CB 4.43Å; L298-M302 WeakPolarHBondContact O-CA 3.21Å; L298-M302 VanDerWaalsContact O-CB 3.27Å; L298-M302 WeakPolarHBondContact O-CB 3.47Å; L298-M302 PolarHBondContact O-N 2.93Å
303	N	91.3	Very high	88.7	Confident	35 Å²	35	47.4 Å²	47.4	19%	0.187	23%	0.225	C	C	.	.			trans	-83.5	116.2	174.9	-176.1	-15.8	0	0	0	110.7	N299 I301 E305 Y306	N299-N303 WeakPolarHBondContact O-CB 3.26Å; N299-N303 PolarHBondContact O-N 3.27Å; I301-N303 PolarHBondContact O-N 3.45Å; N303-E305 PolarHBondContact ND2-OE2 3.23Å; N303-E305 PolarHBondContact O-N 2.99Å; N303-E305 VanDerWaalsContact O-N 3.17Å; N303-E305 VanDerWaalsContact OD1-CB 3.3Å; N303-E305 WeakPolarHBondContact OD1-CB 3.46Å; N303-E305 WeakPolarHBondContact OD1-CG 3.2Å; N303-E305 PolarHBondContact OD1-N 3.16Å; N303-Y306 HydrophobicContact CB-CD2 3.95Å; N303-Y306 HydrophobicContact CB-CE2 4.49Å; N303-Y306 PolarHBondContact O-N 3.37Å; N303-Y306 VanDerWaalsContact O-N 3.14Å
304	K	92.6	Very high	90	Very high	86 Å²	86	41.6 Å²	41.6	37%	0.374	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-58.7	-24.4	178.6	65.2	177.7	164.2	-157.9	0	115.2	L71 E282 Y306 F307	L71-K304 HydrophobicContact CD2-CB 4.38Å; E282-K304 WeakPolarHBondContact OE1-CD 3.46Å; E282-K304 IonicContact OE1-NZ 2.7Å; E282-K304 PolarHBondContact OE1-NZ 3.15Å; K304-Y306 PolarHBondContact O-N 3.43Å; K304-F307 VanDerWaalsContact O-CB 3.3Å; K304-F307 WeakPolarHBondContact O-CB 3.25Å; K304-F307 PolarHBondContact O-N 3.04Å
305	E	92.7	Very high	91.2	Very high	153 Å²	153	40.9 Å²	40.9	72%	0.715	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-62	-29.6	177.9	-66.2	177.9	160.5	0	0	111.9	N303	N303-E305 PolarHBondContact ND2-OE2 3.23Å; N303-E305 PolarHBondContact O-N 2.99Å; N303-E305 VanDerWaalsContact O-N 3.17Å; N303-E305 VanDerWaalsContact OD1-CB 3.3Å; N303-E305 WeakPolarHBondContact OD1-CB 3.46Å; N303-E305 WeakPolarHBondContact OD1-CG 3.2Å; N303-E305 PolarHBondContact OD1-N 3.16Å
306	Y	95	Very high	92.1	Very high	75 Å²	75	36.3 Å²	36.3	29%	0.294	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-100.6	12.5	-177.9	-59.4	-75.9	0	0	0	113.3	R174 N303 K304 Q308 A309 D310	R174-Y306 HydrophobicContact CB-CD1 3.64Å; R174-Y306 HydrophobicContact CB-CE1 3.96Å; R174-Y306 HydrophobicContact CB-CG 4.4Å; R174-Y306 VanDerWaalsContact CD-CD1 3.45Å; R174-Y306 HydrophobicContact CG-CD1 3.57Å; R174-Y306 HydrophobicContact CG-CE1 4.28Å; R174-Y306 HydrophobicContact CG-CG 3.84Å; R174-Y306 VanDerWaalsContact NE-CB 3.25Å; N303-Y306 HydrophobicContact CB-CD2 3.95Å; N303-Y306 HydrophobicContact CB-CE2 4.49Å; N303-Y306 PolarHBondContact O-N 3.37Å; N303-Y306 VanDerWaalsContact O-N 3.14Å; K304-Y306 PolarHBondContact O-N 3.43Å; Y306-Q308 VanDerWaalsContact C-N 3.32Å; Y306-Q308 PolarHBondContact O-N 3.37Å; Y306-A309 WeakPolarHBondContact O-CB 3.35Å; Y306-A309 PolarHBondContact O-N 3.49Å; Y306-D310 PolarHBondContact O-N 3.37Å
307	F	95.8	Very high	92.8	Very high	6 Å²	6	35.2 Å²	35.2	3%	0.026	17%	0.166	C	C	.	.	H	α-helix	trans	-48	-50.6	-178.1	176.3	-114.4	0	0	0	113.2	L71 I243 L271 L274 H275 L278 K304 A309 D310 V311	L71-F307 HydrophobicContact CD1-CD1 4.46Å; I243-F307 HydrophobicContact CD1-CD1 4.4Å; I243-F307 HydrophobicContact CD1-CE1 4.22Å; L271-F307 HydrophobicContact CD2-CE1 4.46Å; L271-F307 HydrophobicContact CD2-CZ 4.06Å; L271-F307 HydrophobicContact CG-CE1 4.18Å; L271-F307 HydrophobicContact CG-CZ 3.83Å; L274-F307 HydrophobicContact CB-CE2 4.18Å; L274-F307 HydrophobicContact CD2-CD2 3.29Å; L274-F307 HydrophobicContact CD2-CE2 3.58Å; L274-F307 HydrophobicContact CD2-CG 4.44Å; H275-F307 HydrophobicContact CB-CE2 4.05Å; H275-F307 HydrophobicContact CB-CZ 4.09Å; L278-F307 HydrophobicContact CD1-CB 4.2Å; L278-F307 HydrophobicContact CD1-CD2 3.38Å; L278-F307 HydrophobicContact CD1-CE2 4.08Å; L278-F307 HydrophobicContact CD1-CG 4.15Å; K304-F307 VanDerWaalsContact O-CB 3.3Å; K304-F307 WeakPolarHBondContact O-CB 3.25Å; K304-F307 PolarHBondContact O-N 3.04Å; F307-A309 PolarHBondContact O-N 2.94Å; F307-D310 PolarHBondContact O-N 3.34Å; F307-V311 HydrophobicContact CD2-CG2 4.25Å; F307-V311 HydrophobicContact CE2-CG2 3.91Å; F307-V311 HydrophobicContact CZ-CG2 4.1Å; F307-V311 VanDerWaalsContact O-CG2 3.29Å; F307-V311 WeakPolarHBondContact O-CG2 3.49Å; F307-V311 PolarHBondContact O-N 2.95Å
308	Q	96.9	Very high	93.7	Very high	39 Å²	39	32.1 Å²	32.1	18%	0.182	15%	0.149	C	C	.	.	H	α-helix	trans	-65.7	-38.1	-179	-63.8	-175.8	15.3	0	0	112.3	F177 I243 L247 Y306 Y312	F177-Q308 HydrophobicContact CE1-CB 3.89Å; F177-Q308 HydrophobicContact CZ-CB 3.98Å; I243-Q308 HydrophobicContact CG2-CG 4.06Å; L247-Q308 HydrophobicContact CD2-CB 4.19Å; Y306-Q308 VanDerWaalsContact C-N 3.32Å; Y306-Q308 PolarHBondContact O-N 3.37Å; Q308-Y312 VanDerWaalsContact O-CB 3.27Å; Q308-Y312 WeakPolarHBondContact O-CB 3.28Å; Q308-Y312 PolarHBondContact O-N 2.88Å
309	A	97.2	Very high	94.3	Very high	4 Å²	4	31.9 Å²	31.9	3%	0.033	15%	0.148	C	C	.	.	H	α-helix	trans	-65.2	-48.9	178	0	0	0	0	0	110.6	R174 F177 Y306 F307 V311 Y312 M313	R174-A309 HydrophobicContact CB-CB 4.48Å; R174-A309 HydrophobicContact CG-CB 4.06Å; F177-A309 HydrophobicContact CB-CB 3.78Å; F177-A309 VanDerWaalsContact CD1-CA 3.5Å; F177-A309 HydrophobicContact CD1-CB 3.48Å; F177-A309 VanDerWaalsContact CD1-CB 3.48Å; F177-A309 HydrophobicContact CE1-CB 4.26Å; F177-A309 HydrophobicContact CG-CB 3.77Å; Y306-A309 WeakPolarHBondContact O-CB 3.35Å; Y306-A309 PolarHBondContact O-N 3.49Å; F307-A309 PolarHBondContact O-N 2.94Å; A309-V311 VanDerWaalsContact C-N 3.34Å; A309-V311 PolarHBondContact O-N 3.06Å; A309-Y312 WeakPolarHBondContact O-CB 3.46Å; A309-Y312 PolarHBondContact O-N 3.32Å; A309-M313 VanDerWaalsContact O-CG 3.28Å; A309-M313 WeakPolarHBondContact O-CG 3.29Å; A309-M313 PolarHBondContact O-N 3.4Å
310	D	97.3	Very high	94.5	Very high	7 Å²	7	32.6 Å²	32.6	4%	0.037	15%	0.151	C	C	.	.	H	α-helix	trans	-63.5	-41.2	-177.8	-66.3	-3.1	0	0	0	110.8	R153 R174 L274 Y306 F307 M314	R153-D310 IonicContact NH1-OD2 3.69Å; R153-D310 PolarHBondContact NH1-OD2 3.04Å; R174-D310 IonicContact CZ-OD1 3.98Å; R174-D310 IonicContact CZ-OD2 3.16Å; R174-D310 IonicContact NE-OD1 3.92Å; R174-D310 PolarHBondContact NE-OD1 3.36Å; R174-D310 IonicContact NE-OD2 2.7Å; R174-D310 IonicContact NH2-OD1 2.83Å; R174-D310 IonicContact NH2-OD2 2.9Å; R174-D310 PolarHBondContact NH2-OD2 3.33Å; L274-D310 HydrophobicContact CD1-CB 3.87Å; L274-D310 HydrophobicContact CD2-CB 4.32Å; Y306-D310 PolarHBondContact O-N 3.37Å; F307-D310 PolarHBondContact O-N 3.34Å; D310-M314 WeakPolarHBondContact O-CG 3.32Å; D310-M314 PolarHBondContact O-N 3.38Å
311	V	98	Very high	94.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.5	-44.6	173.5	174.4	0	0	0	0	111.5	L247 L267 L271 L274 F307 A309 M313 M314 F315	L247-V311 HydrophobicContact CD1-CB 4.15Å; L247-V311 HydrophobicContact CD1-CG1 3.72Å; L267-V311 HydrophobicContact CD1-CG1 3.57Å; L271-V311 HydrophobicContact CB-CG1 4.06Å; L271-V311 HydrophobicContact CD1-CG1 4.49Å; L271-V311 HydrophobicContact CG-CG1 4.44Å; L274-V311 HydrophobicContact CB-CG2 4.16Å; L274-V311 HydrophobicContact CD1-CG2 4.44Å; L274-V311 HydrophobicContact CD2-CG2 4.17Å; L274-V311 HydrophobicContact CG-CG2 4.49Å; F307-V311 HydrophobicContact CD2-CG2 4.25Å; F307-V311 HydrophobicContact CE2-CG2 3.91Å; F307-V311 HydrophobicContact CZ-CG2 4.1Å; F307-V311 VanDerWaalsContact O-CG2 3.29Å; F307-V311 WeakPolarHBondContact O-CG2 3.49Å; F307-V311 PolarHBondContact O-N 2.95Å; A309-V311 VanDerWaalsContact C-N 3.34Å; A309-V311 PolarHBondContact O-N 3.06Å; V311-M313 VanDerWaalsContact C-N 3.32Å; V311-M313 PolarHBondContact O-N 3.07Å; V311-M314 PolarHBondContact O-N 3.19Å; V311-F315 WeakPolarHBondContact O-CB 3.41Å; V311-F315 PolarHBondContact O-N 3.4Å
312	Y	98.1	Very high	94.5	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.008	15%	0.147	C	C	.	.	H	α-helix	trans	-58.3	-44.9	178.7	179.2	-95.7	0	0	0	111.7	Y176 F177 L180 L247 I250 Y251 H254 Q308 A309 M314 F315 A316	Y176-Y312 HydrophobicContact CE1-CE1 4.47Å; F177-Y312 AromaticContact CD2-CD1 3.56Å; F177-Y312 HydrophobicContact CD2-CD1 3.56Å; F177-Y312 HydrophobicContact CD2-CD2 4.07Å; F177-Y312 HydrophobicContact CD2-CE1 4.28Å; F177-Y312 AromaticContact CD2-CG 3.44Å; F177-Y312 HydrophobicContact CD2-CG 3.44Å; F177-Y312 VanDerWaalsContact CD2-CG 3.44Å; F177-Y312 HydrophobicContact CE2-CD1 4.19Å; F177-Y312 AromaticContact CE2-CD2 3.85Å; F177-Y312 HydrophobicContact CE2-CD2 3.85Å; F177-Y312 AromaticContact CE2-CG 3.59Å; F177-Y312 HydrophobicContact CE2-CG 3.59Å; L180-Y312 HydrophobicContact CD2-CE1 3.82Å; L180-Y312 HydrophobicContact CD2-CE2 4.4Å; L180-Y312 VanDerWaalsContact CD2-OH 3.23Å; L180-Y312 WeakPolarHBondContact CD2-OH 3.27Å; L247-Y312 HydrophobicContact CD2-CD2 4.29Å; I250-Y312 HydrophobicContact CB-CE2 4.37Å; I250-Y312 HydrophobicContact CG2-CD2 4.24Å; I250-Y312 HydrophobicContact CG2-CE2 3.68Å; Y251-Y312 HydrophobicContact CD2-CE2 4.29Å; H254-Y312 PolarHBondContact ND1-OH 3.27Å; Q308-Y312 VanDerWaalsContact O-CB 3.27Å; Q308-Y312 WeakPolarHBondContact O-CB 3.28Å; Q308-Y312 PolarHBondContact O-N 2.88Å; A309-Y312 WeakPolarHBondContact O-CB 3.46Å; A309-Y312 PolarHBondContact O-N 3.32Å; Y312-M314 PolarHBondContact O-N 3.47Å; Y312-F315 PolarHBondContact O-N 2.99Å; Y312-A316 HydrophobicContact CE1-CB 4.2Å; Y312-A316 VanDerWaalsContact O-CB 3.3Å; Y312-A316 WeakPolarHBondContact O-CB 3.17Å; Y312-A316 PolarHBondContact O-N 2.81Å
313	M	97.5	Very high	94.4	Very high	34 Å²	34	32.3 Å²	32.3	17%	0.167	16%	0.155	C	C	.	.	H	α-helix	trans	-64	-42.1	-179	-67.6	-58.2	-58.3	0	0	111.9	D173 Y176 A309 V311 K317	D173-M313 HydrophobicContact CB-CE 3.98Å; D173-M313 HydrophobicContact CB-CG 4.01Å; D173-M313 HydrophobicContact CB-SD 4.2Å; Y176-M313 HydrophobicContact CD1-SD 4.16Å; A309-M313 VanDerWaalsContact O-CG 3.28Å; A309-M313 WeakPolarHBondContact O-CG 3.29Å; A309-M313 PolarHBondContact O-N 3.4Å; V311-M313 VanDerWaalsContact C-N 3.32Å; V311-M313 PolarHBondContact O-N 3.07Å; M313-K317 WeakPolarHBondContact O-CB 3.36Å; M313-K317 PolarHBondContact O-N 3.22Å
314	M	97.4	Very high	94.1	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-61.9	-46.9	173.4	-66.8	177.2	73.8	0	0	111.7	W152 R153 L156 I158 L270 L274 D310 V311 Y312 K317 I318	W152-M314 HydrophobicContact CB-CE 3.6Å; W152-M314 HydrophobicContact CD2-CE 4.42Å; W152-M314 HydrophobicContact CE3-CE 3.77Å; W152-M314 HydrophobicContact CG-CE 4.43Å; R153-M314 HydrophobicContact CG-CE 4.37Å; R153-M314 HydrophobicContact CG-CG 3.94Å; R153-M314 HydrophobicContact CG-SD 3.8Å; L156-M314 HydrophobicContact CD1-CE 4.43Å; I158-M314 HydrophobicContact CD1-CB 4.13Å; I158-M314 HydrophobicContact CD1-CG 3.6Å; L270-M314 HydrophobicContact CD1-CB 4.32Å; L270-M314 HydrophobicContact CD2-CB 4.36Å; L270-M314 HydrophobicContact CD2-CE 4.05Å; L274-M314 HydrophobicContact CD1-SD 3.69Å; D310-M314 WeakPolarHBondContact O-CG 3.32Å; D310-M314 PolarHBondContact O-N 3.38Å; V311-M314 PolarHBondContact O-N 3.19Å; Y312-M314 PolarHBondContact O-N 3.47Å; M314-K317 PolarHBondContact O-N 3.44Å; M314-I318 PolarHBondContact O-N 3.48Å; M314-I318 VanDerWaalsContact O-N 3.14Å
315	F	97.9	Very high	93.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.7	-49.7	180	177	-106.7	0	0	0	112.1	L248 Y251 M263 I266 L267 L270 V311 Y312 K317 I318 M319	L248-F315 HydrophobicContact CD2-CE1 4.09Å; L248-F315 HydrophobicContact CD2-CE2 4.24Å; L248-F315 HydrophobicContact CD2-CZ 3.6Å; Y251-F315 AromaticContact CD1-CE1 3.61Å; Y251-F315 HydrophobicContact CD1-CE1 3.61Å; Y251-F315 HydrophobicContact CD1-CZ 4.28Å; Y251-F315 HydrophobicContact CD2-CD1 4.19Å; Y251-F315 HydrophobicContact CD2-CE1 4.04Å; Y251-F315 HydrophobicContact CE1-CE1 4.2Å; Y251-F315 HydrophobicContact CG-CD1 4.08Å; Y251-F315 AromaticContact CG-CE1 3.53Å; Y251-F315 HydrophobicContact CG-CE1 3.53Å; M263-F315 HydrophobicContact CB-CZ 4.34Å; M263-F315 WeakPolarHBondContact O-CE2 3.39Å; I266-F315 HydrophobicContact CB-CE2 4.16Å; I266-F315 HydrophobicContact CG2-CD2 4.1Å; I266-F315 HydrophobicContact CG2-CE2 4.01Å; L267-F315 HydrophobicContact CB-CD2 3.82Å; L267-F315 HydrophobicContact CB-CE2 3.85Å; L267-F315 HydrophobicContact CD1-CB 3.85Å; L267-F315 HydrophobicContact CD1-CD2 3.86Å; L267-F315 HydrophobicContact CD1-CG 3.81Å; L267-F315 HydrophobicContact CG-CD2 4.44Å; L270-F315 HydrophobicContact CD1-CB 3.88Å; L270-F315 HydrophobicContact CD1-CD2 4.22Å; V311-F315 WeakPolarHBondContact O-CB 3.41Å; V311-F315 PolarHBondContact O-N 3.4Å; Y312-F315 PolarHBondContact O-N 2.99Å; F315-K317 VanDerWaalsContact C-N 3.27Å; F315-K317 PolarHBondContact O-N 3.46Å; F315-I318 PolarHBondContact O-N 3.33Å; F315-M319 HydrophobicContact CD1-CG 4.14Å; F315-M319 HydrophobicContact CD2-CG 4Å; F315-M319 HydrophobicContact CE1-CG 3.72Å; F315-M319 HydrophobicContact CE2-CG 3.54Å; F315-M319 HydrophobicContact CE2-SD 3.92Å; F315-M319 HydrophobicContact CG-CG 4.28Å; F315-M319 HydrophobicContact CZ-CG 3.39Å; F315-M319 HydrophobicContact CZ-SD 3.91Å; F315-M319 WeakPolarHBondContact O-CB 3.39Å; F315-M319 WeakPolarHBondContact O-CG 3.32Å; F315-M319 PolarHBondContact O-N 3.23Å
316	A	96.2	Very high	93.3	Very high	12 Å²	12	21.9 Å²	21.9	10%	0.099	11%	0.107	C	C	.	.	H	α-helix	trans	-60.9	-37.7	178.9	0	0	0	0	0	111.7	Y251 Y312 M319 N320	Y251-A316 HydrophobicContact CD2-CB 4.18Å; Y251-A316 HydrophobicContact CE2-CB 4.05Å; Y312-A316 HydrophobicContact CE1-CB 4.2Å; Y312-A316 VanDerWaalsContact O-CB 3.3Å; Y312-A316 WeakPolarHBondContact O-CB 3.17Å; Y312-A316 PolarHBondContact O-N 2.81Å; A316-M319 PolarHBondContact O-N 3.39Å; A316-N320 WeakPolarHBondContact O-CB 3.24Å; A316-N320 VanDerWaalsContact O-CG 3.32Å; A316-N320 PolarHBondContact O-N 3.49Å; A316-N320 PolarHBondContact O-ND2 3.26Å
317	K	95.1	Very high	92.4	Very high	78 Å²	78	20.6 Å²	20.6	34%	0.339	11%	0.108	S	C	.	.	H	α-helix	trans	-63.2	-45	176.8	-173.6	61.3	175.7	-170.9	0	112.2	L156 I158 M313 M314 F315	L156-K317 HydrophobicContact CB-CG 4.13Å; L156-K317 WeakPolarHBondContact O-CE 3.34Å; I158-K317 HydrophobicContact CD1-CB 4.26Å; I158-K317 HydrophobicContact CG1-CB 4.44Å; I158-K317 HydrophobicContact CG1-CG 4.41Å; M313-K317 WeakPolarHBondContact O-CB 3.36Å; M313-K317 PolarHBondContact O-N 3.22Å; M314-K317 PolarHBondContact O-N 3.44Å; F315-K317 VanDerWaalsContact C-N 3.27Å; F315-K317 PolarHBondContact O-N 3.46Å
318	I	95	Very high	91.1	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.01	12%	0.118	C	C	.	.	H	α-helix	trans	-67.6	-46.3	177	-69.2	162.6	0	0	0	110.6	L156 I266 L270 M314 F315 N320 S321 V322 L494 F512	L156-I318 HydrophobicContact CD1-CD1 4.09Å; L156-I318 HydrophobicContact CD1-CG1 4.15Å; L156-I318 HydrophobicContact CD2-CG1 4.02Å; I266-I318 HydrophobicContact CG2-CG2 3.86Å; L270-I318 HydrophobicContact CD1-CD1 3.8Å; L270-I318 HydrophobicContact CD2-CD1 3.48Å; L270-I318 VanDerWaalsContact CD2-CD1 3.48Å; L270-I318 HydrophobicContact CG-CD1 4.2Å; M314-I318 PolarHBondContact O-N 3.48Å; M314-I318 VanDerWaalsContact O-N 3.14Å; F315-I318 PolarHBondContact O-N 3.33Å; I318-N320 VanDerWaalsContact C-N 3.25Å; I318-N320 PolarHBondContact O-N 2.95Å; I318-S321 WeakPolarHBondContact O-CB 3.27Å; I318-S321 PolarHBondContact O-N 3.17Å; I318-V322 PolarHBondContact O-N 2.9Å; I318-L494 HydrophobicContact CG2-CD1 3.89Å; I318-F512 HydrophobicContact CD1-CE1 3.94Å; I318-F512 HydrophobicContact CD1-CE2 4.24Å; I318-F512 HydrophobicContact CD1-CZ 3.47Å; I318-F512 VanDerWaalsContact CD1-CZ 3.47Å; I318-F512 HydrophobicContact CG1-CE1 4.04Å; I318-F512 HydrophobicContact CG1-CZ 4.1Å
319	M	93.8	Very high	89.4	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.5	-33	-179.9	-73.4	-58.9	-55.3	0	0	112.6	Y251 M263 I266 F315 A316 S321 V322 K323 Y326	Y251-M319 HydrophobicContact CE1-CB 3.82Å; Y251-M319 HydrophobicContact CE1-CE 4.05Å; Y251-M319 HydrophobicContact CE1-CG 3.94Å; Y251-M319 HydrophobicContact CE2-CB 3.96Å; Y251-M319 WeakPolarHBondContact OH-CB 3.48Å; M263-M319 HydrophobicContact CE-CE 3.63Å; M263-M319 HydrophobicContact CG-CE 3.82Å; M263-M319 HydrophobicContact CG-SD 4.33Å; M263-M319 HydrophobicContact SD-CE 4.22Å; I266-M319 HydrophobicContact CG2-SD 4.34Å; F315-M319 HydrophobicContact CD1-CG 4.14Å; F315-M319 HydrophobicContact CD2-CG 4Å; F315-M319 HydrophobicContact CE1-CG 3.72Å; F315-M319 HydrophobicContact CE2-CG 3.54Å; F315-M319 HydrophobicContact CE2-SD 3.92Å; F315-M319 HydrophobicContact CG-CG 4.28Å; F315-M319 HydrophobicContact CZ-CG 3.39Å; F315-M319 HydrophobicContact CZ-SD 3.91Å; F315-M319 WeakPolarHBondContact O-CB 3.39Å; F315-M319 WeakPolarHBondContact O-CG 3.32Å; F315-M319 PolarHBondContact O-N 3.23Å; A316-M319 PolarHBondContact O-N 3.39Å; M319-S321 PolarHBondContact O-N 3.41Å; M319-V322 HydrophobicContact CE-CG2 4.2Å; M319-V322 PolarHBondContact O-N 2.91Å; M319-V322 HydrophobicContact SD-CG2 3.74Å; M319-K323 HydrophobicContact CE-CB 4.44Å; M319-K323 WeakPolarHBondContact O-CA 3.32Å; M319-K323 WeakPolarHBondContact O-CB 3.01Å; M319-K323 VanDerWaalsContact O-CG 3.3Å; M319-K323 WeakPolarHBondContact O-CG 3.39Å; M319-K323 PolarHBondContact O-N 2.84Å; M319-Y326 HydrophobicContact CE-CD2 4.27Å; M319-Y326 HydrophobicContact CE-CE2 3.83Å; M319-Y326 HydrophobicContact SD-CE2 4.49Å
320	N	90.6	Very high	87.7	Confident	73 Å²	73	32.2 Å²	32.2	39%	0.39	16%	0.164	S	C	.	.	H	α-helix	trans	-59.5	-29.2	173.8	-83.1	-29.2	0	0	0	113.9	A316 I318 K323	A316-N320 WeakPolarHBondContact O-CB 3.24Å; A316-N320 VanDerWaalsContact O-CG 3.32Å; A316-N320 PolarHBondContact O-N 3.49Å; A316-N320 PolarHBondContact O-ND2 3.26Å; I318-N320 VanDerWaalsContact C-N 3.25Å; I318-N320 PolarHBondContact O-N 2.95Å; N320-K323 PolarHBondContact OD1-NZ 3.3Å
321	S	87.8	Confident	85.7	Confident	27 Å²	27	33.5 Å²	33.5	19%	0.189	17%	0.17	C	C	.	.	H	α-helix	trans	-84	-36.6	176.4	-55.2	0	0	0	0	112.4	I318 M319	I318-S321 WeakPolarHBondContact O-CB 3.27Å; I318-S321 PolarHBondContact O-N 3.17Å; M319-S321 PolarHBondContact O-N 3.41Å
322	V	88.9	Confident	83.1	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-97.7	-14.7	-174.3	-55.2	0	0	0	0	115	I318 M319 N324 W325 Y326 L494 L518	I318-V322 PolarHBondContact O-N 2.9Å; M319-V322 HydrophobicContact CE-CG2 4.2Å; M319-V322 PolarHBondContact O-N 2.91Å; M319-V322 HydrophobicContact SD-CG2 3.74Å; V322-N324 PolarHBondContact O-N 3.37Å; V322-N324 VanDerWaalsContact O-N 3.15Å; V322-W325 HydrophobicContact CB-CD2 4.38Å; V322-W325 HydrophobicContact CB-CE3 3.71Å; V322-W325 HydrophobicContact CB-CZ3 3.94Å; V322-W325 HydrophobicContact CG1-CE3 3.78Å; V322-W325 HydrophobicContact CG1-CH2 4.08Å; V322-W325 HydrophobicContact CG1-CZ3 3.43Å; V322-W325 VanDerWaalsContact CG1-CZ3 3.43Å; V322-W325 WeakPolarHBondContact O-CB 3.5Å; V322-W325 PolarHBondContact O-N 3.42Å; V322-Y326 HydrophobicContact CG2-CE2 4.1Å; V322-L494 HydrophobicContact CG1-CD1 4.5Å; V322-L494 HydrophobicContact CG1-CD2 4.15Å; V322-L494 HydrophobicContact CG1-CG 4.49Å; V322-L518 HydrophobicContact CG1-CD1 3.26Å
323	K	86.8	Confident	80.5	Confident	45 Å²	45	41.4 Å²	41.4	20%	0.196	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-56.7	-38	-170.3	61.4	-172.2	-176.5	-169	0	112.9	E255 M319 N320 W325 Y326 Q328	E255-K323 IonicContact OE2-NZ 3.65Å; E255-K323 PolarHBondContact OE2-NZ 3.33Å; M319-K323 HydrophobicContact CE-CB 4.44Å; M319-K323 WeakPolarHBondContact O-CA 3.32Å; M319-K323 WeakPolarHBondContact O-CB 3.01Å; M319-K323 VanDerWaalsContact O-CG 3.3Å; M319-K323 WeakPolarHBondContact O-CG 3.39Å; M319-K323 PolarHBondContact O-N 2.84Å; N320-K323 PolarHBondContact OD1-NZ 3.3Å; K323-W325 PolarHBondContact O-N 3.28Å; K323-Y326 WeakPolarHBondContact O-CB 3.4Å; K323-Y326 PolarHBondContact O-N 3Å; K323-Q328 PolarHBondContact O-NE2 3.34Å
324	N	84.7	Confident	77.7	Confident	38 Å²	38	47.6 Å²	47.6	20%	0.203	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-63.9	-26.6	-178.8	-61.6	-27.2	0	0	0	112	V322 Y326 Q443 S452	V322-N324 PolarHBondContact O-N 3.37Å; V322-N324 VanDerWaalsContact O-N 3.15Å; N324-Y326 PolarHBondContact O-N 3.15Å; N324-Q443 HydrophobicContact CB-CG 4.41Å; N324-Q443 PolarHBondContact ND2-NE2 2.88Å; N324-S452 WeakPolarHBondContact CB-OG 3.44Å; N324-S452 PolarHBondContact O-OG 3.35Å
325	W	86	Confident	75.2	Confident	10 Å²	10	50.2 Å²	50.2	4%	0.038	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-71	-17.6	177.2	-54.8	-25.9	0	0	0	112.7	V322 K323 F456 I491 R492 L494 V521	V322-W325 HydrophobicContact CB-CD2 4.38Å; V322-W325 HydrophobicContact CB-CE3 3.71Å; V322-W325 HydrophobicContact CB-CZ3 3.94Å; V322-W325 HydrophobicContact CG1-CE3 3.78Å; V322-W325 HydrophobicContact CG1-CH2 4.08Å; V322-W325 HydrophobicContact CG1-CZ3 3.43Å; V322-W325 VanDerWaalsContact CG1-CZ3 3.43Å; V322-W325 WeakPolarHBondContact O-CB 3.5Å; V322-W325 PolarHBondContact O-N 3.42Å; K323-W325 PolarHBondContact O-N 3.28Å; W325-F456 HydrophobicContact CH2-CE1 4.34Å; W325-F456 HydrophobicContact CH2-CZ 4.42Å; W325-F456 HydrophobicContact CZ2-CD1 4.39Å; W325-F456 AromaticContact CZ2-CE1 3.77Å; W325-F456 HydrophobicContact CZ2-CE1 3.77Å; W325-F456 HydrophobicContact CZ2-CE2 4.26Å; W325-F456 AromaticContact CZ2-CZ 3.68Å; W325-F456 HydrophobicContact CZ2-CZ 3.68Å; W325-F456 AromaticContact NE1-CG 3.99Å; W325-I491 HydrophobicContact CD2-CD1 4.4Å; W325-I491 HydrophobicContact CE3-CB 4.36Å; W325-I491 HydrophobicContact CE3-CG1 4.45Å; W325-I491 HydrophobicContact CG-CD1 4.49Å; W325-I491 HydrophobicContact CZ3-CB 4.35Å; W325-R492 HydrophobicContact CB-CG 4.28Å; W325-R492 PolarHBondContact O-NE 3.25Å; W325-R492 PolarHBondContact O-NH2 3.18Å; W325-L494 HydrophobicContact CZ3-CD2 4.22Å; W325-V521 HydrophobicContact CH2-CB 4.5Å; W325-V521 HydrophobicContact CH2-CG1 4.22Å
326	Y	83.9	Confident	72.7	Confident	6 Å²	6	53.7 Å²	53.7	2%	0.024	27%	0.274	C	S	.	.	S	Bend	trans	-83.5	150.6	171.4	-65.7	-92.7	0	0	0	111.1	Q260 M263 M319 V322 K323 N324 Q328 R492	Q260-Y326 HydrophobicContact CB-CD1 3.49Å; Q260-Y326 VanDerWaalsContact CB-CD1 3.49Å; Q260-Y326 HydrophobicContact CB-CE1 4.06Å; Q260-Y326 HydrophobicContact CB-CG 4.18Å; Q260-Y326 HydrophobicContact CG-CD1 4.11Å; Q260-Y326 HydrophobicContact CG-CG 4.37Å; M263-Y326 HydrophobicContact CG-CE1 4.35Å; M319-Y326 HydrophobicContact CE-CD2 4.27Å; M319-Y326 HydrophobicContact CE-CE2 3.83Å; M319-Y326 HydrophobicContact SD-CE2 4.49Å; V322-Y326 HydrophobicContact CG2-CE2 4.1Å; K323-Y326 WeakPolarHBondContact O-CB 3.4Å; K323-Y326 PolarHBondContact O-N 3Å; N324-Y326 PolarHBondContact O-N 3.15Å; Y326-Q328 PolarHBondContact O-N 3.34Å; Y326-R492 HydrophobicContact CE1-CB 4.38Å; Y326-R492 PolarHBondContact OH-O 2.7Å
327	P	76.4	Confident	70	Confident	48 Å²	48	54.8 Å²	54.8	31%	0.312	28%	0.279	S	S	.	.			trans	-58.4	116.5	171.9	-21	34.1	0	0	0	110.4	Q260 T329 N450	Q260-P327 PolarHBondContact NE2-O 3.44Å; P327-T329 PolarHBondContact O-N 3.27Å; P327-T329 VanDerWaalsContact O-N 3.1Å; P327-N450 WeakPolarHBondContact CA-OD1 3.35Å
328	Q	68.1	Low	67.3	Low	54 Å²	54	58 Å²	58	25%	0.252	29%	0.292	S	S	.	.			trans	-76	86.7	175.1	-63.2	-59.8	-35.1	0	0	110.1	K323 Y326 K330 N450	K323-Q328 PolarHBondContact O-NE2 3.34Å; Y326-Q328 PolarHBondContact O-N 3.34Å; Q328-K330 PolarHBondContact O-N 3.43Å; Q328-N450 WeakPolarHBondContact CB-OD1 3.38Å; Q328-N450 PolarHBondContact N-OD1 3.1Å
329	T	61.6	Low	64.7	Low	70 Å²	70	63.5 Å²	63.5	43%	0.429	31%	0.313	S	S	.	.			trans	-90.4	92	156.7	36.7	0	0	0	0	107.7	S258 Q260 P327 L331	S258-T329 PolarHBondContact OG-O 3.41Å; S258-T329 PolarHBondContact OG-OG1 2.81Å; Q260-T329 PolarHBondContact NE2-OG1 2.94Å; P327-T329 PolarHBondContact O-N 3.27Å; P327-T329 VanDerWaalsContact O-N 3.1Å; T329-L331 PolarHBondContact O-N 2.87Å
330	K	59.6	Low	62	Low	169 Å²	169	68.3 Å²	68.3	74%	0.735	34%	0.338	S	S	*	.	B	Isolated β-bridge	trans	-54.2	134.6	165.8	-71.8	-175.8	179.9	177.3	0	107.2	Q328 S332	Q328-K330 PolarHBondContact O-N 3.43Å; K330-S332 PolarHBondContact O-N 3.47Å
331	L	56.9	Low	59.2	Low	34 Å²	34	74.1 Å²	74.1	18%	0.178	35%	0.354	C	S	.	.			trans	-64.2	86.3	167.3	-89.5	70.4	0	0	0	107.1	Y213 T329	Y213-L331 HydrophobicContact CE1-CD2 4.28Å; Y213-L331 WeakPolarHBondContact OH-CD2 3.38Å; T329-L331 PolarHBondContact O-N 2.87Å
332	S	43	Very low	56.6	Low	58 Å²	58	83.3 Å²	83.3	41%	0.406	39%	0.385	S	S	.	.			trans	-66.8	139.2	165.8	66.8	0	0	0	0	106.8	K330 Y334 D335	K330-S332 PolarHBondContact O-N 3.47Å; S332-Y334 PolarHBondContact O-N 3.2Å; S332-Y334 WeakPolarHBondContact OG-CB 3.33Å; S332-D335 PolarHBondContact O-N 2.93Å; S332-D335 PolarHBondContact OG-N 3.33Å
333	T	43.2	Very low	54	Low	111 Å²	111	92.1 Å²	92.1	68%	0.681	42%	0.418	S	S	*	.	H	α-helix	trans	-50.2	-18.9	168	40.3	0	0	0	0	112.5
334	Y	39	Very low	51.4	Low	163 Å²	163	95.2 Å²	95.2	64%	0.639	44%	0.441	S	S	*	.	H	α-helix	trans	-72.1	-28.8	173.4	-103.9	-94.2	0	0	0	115.7	S332 H336 D337 K338	S332-Y334 PolarHBondContact O-N 3.2Å; S332-Y334 WeakPolarHBondContact OG-CB 3.33Å; Y334-H336 VanDerWaalsContact C-N 3.3Å; Y334-D337 PolarHBondContact O-N 2.87Å; Y334-D337 VanDerWaalsContact O-N 3.14Å; Y334-K338 PolarHBondContact O-N 3.36Å
335	D	45.8	Very low	48.7	Very low	56 Å²	56	99 Å²	99	30%	0.299	47%	0.465	S	S	.	.	H	α-helix	trans	-77.8	-21.2	179.5	-147.8	2.8	0	0	0	111.5	S332 R339	S332-D335 PolarHBondContact O-N 2.93Å; S332-D335 PolarHBondContact OG-N 3.33Å; D335-R339 WeakPolarHBondContact O-CB 3.49Å; D335-R339 WeakPolarHBondContact O-CD 3.41Å; D335-R339 VanDerWaalsContact O-CG 3.26Å; D335-R339 WeakPolarHBondContact O-CG 3.47Å; D335-R339 PolarHBondContact O-N 2.92Å; D335-R339 IonicContact OD1-CZ 2.71Å; D335-R339 IonicContact OD1-NE 3.78Å; D335-R339 PolarHBondContact OD1-NE 2.94Å; D335-R339 IonicContact OD1-NH2 3.82Å; D335-R339 IonicContact OD2-CZ 3.85Å; D335-R339 IonicContact OD2-NE 2.85Å; D335-R339 PolarHBondContact OD2-NE 3.28Å; D335-R339 IonicContact OD2-NH2 2.82Å; D335-R339 PolarHBondContact OD2-NH2 2.93Å
336	H	45	Very low	46.1	Very low	73 Å²	73	106.8 Å²	106.8	34%	0.338	51%	0.506	S	S	.	.	H	α-helix	trans	-65.6	-41.8	163.2	-84.4	-71.5	0	0	0	111.6	Y213 Y334 I340	Y213-H336 AromaticContact CD2-CE1 3.39Å; Y213-H336 WeakPolarHBondContact CD2-CE1 3.22Å; Y213-H336 AromaticContact CE2-CE1 3.54Å; Y213-H336 AromaticContact CG-CE1 3.67Å; Y213-H336 AromaticContact CZ-CE1 3.95Å; Y334-H336 VanDerWaalsContact C-N 3.3Å; H336-I340 WeakPolarHBondContact O-CB 3.37Å; H336-I340 WeakPolarHBondContact O-CD1 3.44Å; H336-I340 WeakPolarHBondContact O-CG1 3.32Å; H336-I340 PolarHBondContact O-N 3.45Å; H336-I340 VanDerWaalsContact O-N 3.11Å
337	D	38.5	Very low	43.4	Very low	36 Å²	36	110 Å²	110	19%	0.193	54%	0.541	C	S	.	.	H	α-helix	trans	-70.9	-42.9	-177.8	-84.7	-24.5	0	0	0	113.4	R204 Y334 R339 R341	R204-D337 IonicContact CZ-OD1 3.56Å; R204-D337 IonicContact CZ-OD2 2.68Å; R204-D337 IonicContact NE-OD1 3.3Å; R204-D337 IonicContact NH2-OD1 3.41Å; R204-D337 PolarHBondContact NH2-OD1 3.35Å; R204-D337 IonicContact NH2-OD2 3.5Å; R204-D337 PolarHBondContact NH2-OD2 2.96Å; Y334-D337 PolarHBondContact O-N 2.87Å; Y334-D337 VanDerWaalsContact O-N 3.14Å; D337-R339 PolarHBondContact O-N 3.22Å; D337-R341 WeakPolarHBondContact O-CB 3.43Å; D337-R341 VanDerWaalsContact O-CG 3.26Å; D337-R341 WeakPolarHBondContact O-CG 3.46Å; D337-R341 PolarHBondContact O-N 3.19Å; D337-R341 VanDerWaalsContact O-N 3.11Å
338	K	38.8	Very low	41	Very low	144 Å²	144	114.7 Å²	114.7	63%	0.626	56%	0.562	S	S	*	*	H	α-helix	trans	-70.1	-30.2	178	-79.8	-172.9	177.6	-178.9	0	113	Y334	Y334-K338 PolarHBondContact O-N 3.36Å
339	R	39.7	Very low	39.1	Very low	119 Å²	119	117.3 Å²	117.3	45%	0.449	58%	0.584	S	S	.	*	H	α-helix	trans	-84.3	-23.4	-179.8	-68.3	177.5	-165.6	-160.5	-0.6	114	D335 D337	D335-R339 WeakPolarHBondContact O-CB 3.49Å; D335-R339 WeakPolarHBondContact O-CD 3.41Å; D335-R339 VanDerWaalsContact O-CG 3.26Å; D335-R339 WeakPolarHBondContact O-CG 3.47Å; D335-R339 PolarHBondContact O-N 2.92Å; D335-R339 IonicContact OD1-CZ 2.71Å; D335-R339 IonicContact OD1-NE 3.78Å; D335-R339 PolarHBondContact OD1-NE 2.94Å; D335-R339 IonicContact OD1-NH2 3.82Å; D335-R339 IonicContact OD2-CZ 3.85Å; D335-R339 IonicContact OD2-NE 2.85Å; D335-R339 PolarHBondContact OD2-NE 3.28Å; D335-R339 IonicContact OD2-NH2 2.82Å; D335-R339 PolarHBondContact OD2-NH2 2.93Å; D337-R339 PolarHBondContact O-N 3.22Å
340	I	37.1	Very low	37.5	Very low	101 Å²	101	119.5 Å²	119.5	52%	0.518	60%	0.598	S	S	.	*	H	α-helix	trans	-83.1	-37.6	173.8	-66.3	168.1	0	0	0	110.4	H336 R342 R343	H336-I340 WeakPolarHBondContact O-CB 3.37Å; H336-I340 WeakPolarHBondContact O-CD1 3.44Å; H336-I340 WeakPolarHBondContact O-CG1 3.32Å; H336-I340 PolarHBondContact O-N 3.45Å; H336-I340 VanDerWaalsContact O-N 3.11Å; I340-R342 VanDerWaalsContact C-N 3.26Å; I340-R342 PolarHBondContact O-N 3.19Å; I340-R343 PolarHBondContact O-N 3.3Å
341	R	32.2	Very low	36.1	Very low	194 Å²	194	115.5 Å²	115.5	73%	0.732	60%	0.596	S	S	*	*	H	α-helix	trans	-68	-18.1	178.1	-72.2	-179.4	-176	-160	1.9	115	D337	D337-R341 WeakPolarHBondContact O-CB 3.43Å; D337-R341 VanDerWaalsContact O-CG 3.26Å; D337-R341 WeakPolarHBondContact O-CG 3.46Å; D337-R341 PolarHBondContact O-N 3.19Å; D337-R341 VanDerWaalsContact O-N 3.11Å
342	R	33.5	Very low	34.9	Very low	221 Å²	221	119.9 Å²	119.9	83%	0.834	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	8.5	175.5	-73.9	-173.8	175.7	177.7	-1.5	114.7	I340	I340-R342 VanDerWaalsContact C-N 3.26Å; I340-R342 PolarHBondContact O-N 3.19Å
343	R	33.8	Very low	34.5	Very low	184 Å²	184	122.9 Å²	122.9	69%	0.694	63%	0.634	S	S	*	*	S	Bend	trans	-130.7	9.3	-174.1	-82	-176.2	172.4	163	-3.2	116.6	I340	I340-R343 PolarHBondContact O-N 3.3Å
344	T	32.9	Very low	33.9	Very low	111 Å²	111	124.7 Å²	124.7	68%	0.681	64%	0.639	S	S	*	*	S	Bend	trans	-98.1	11.3	174.3	43.5	0	0	0	0	113.9
345	V	28.2	Very low	33.5	Very low	117 Å²	117	124.4 Å²	124.4	71%	0.709	65%	0.648	S	S	*	*	S	Bend	trans	-135.5	137.3	175.1	-172.5	0	0	0	0	106.9
346	I	31.3	Very low	32.9	Very low	174 Å²	174	131 Å²	131	89%	0.892	67%	0.674	S	S	*	*	S	Bend	trans	99.3	93.9	-174.3	-49.5	158.1	0	0	0	113.5
347	G	28	Very low	32.3	Very low	74 Å²	74	132.2 Å²	132.2	76%	0.763	69%	0.69	S	S	*	*			trans	112.8	58.7	143.9	0	0	0	0	0	119.2
348	L	24.7	Very low	31.9	Very low	145 Å²	145	140 Å²	140	76%	0.759	73%	0.725	S	S	*	*			trans	-76	142.3	135.3	-125.8	90.2	0	0	0	105.7
349	P	28.6	Very low	31.5	Very low	110 Å²	110	136.9 Å²	136.9	71%	0.714	73%	0.727	S	S	*	*				-143.9	151.9	62.9	25.3	-1.6	0	0	0	113
350	T	27.8	Very low	31.1	Very low	116 Å²	116	138.8 Å²	138.8	71%	0.712	75%	0.746	S	S	*	*	S	Bend		167.3	50.2	98.2	-55.6	0	0	0	0	110.7
351	A	30.8	Very low	31	Very low	84 Å²	84	139 Å²	139	69%	0.694	76%	0.756	S	S	*	*	S	Bend	trans	-130.4	1.3	175.2	0	0	0	0	0	115.4
352	I	31.8	Very low	31	Very low	126 Å²	126	135.8 Å²	135.8	65%	0.646	76%	0.758	S	S	*	*	S	Bend	trans	-103	0.5	-178.5	-66.4	177.7	0	0	0	112.6	L354	I352-L354 VanDerWaalsContact C-N 3.35Å; I352-L354 PolarHBondContact O-N 3.01Å
353	T	33	Very low	30.9	Very low	121 Å²	121	129.9 Å²	129.9	74%	0.742	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	7.1	175.5	-4.6	0	0	0	0	115
354	L	31.9	Very low	30.7	Very low	149 Å²	149	128.5 Å²	128.5	78%	0.78	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	4.2	178.3	-90	164.1	0	0	0	114.8	I352	I352-L354 VanDerWaalsContact C-N 3.35Å; I352-L354 PolarHBondContact O-N 3.01Å
355	L	31	Very low	30.6	Very low	158 Å²	158	130 Å²	130	83%	0.827	76%	0.761	S	S	*	*	S	Bend	trans	-125.4	23.6	-177.8	-71.2	173.4	0	0	0	114
356	K	31.5	Very low	30.6	Very low	195 Å²	195	130.2 Å²	130.2	85%	0.848	77%	0.765	S	S	*	*	S	Bend	trans	-132.3	15.8	176.3	-80.1	-171.2	174.5	-177.4	0	115.3
357	S	33.6	Very low	30.6	Very low	97 Å²	97	129.6 Å²	129.6	68%	0.678	76%	0.758	S	S	*	*	S	Bend	trans	-120.1	6.6	177.7	58.3	0	0	0	0	115.5
358	E	31	Very low	30.8	Very low	200 Å²	200	135.3 Å²	135.3	94%	0.935	77%	0.765	S	S	*	*			trans	-123.1	57.1	173.2	-76.3	173.3	173	0	0	110
359	A	29.5	Very low	30.9	Very low	79 Å²	79	135.2 Å²	135.2	65%	0.653	77%	0.771	S	S	*	*			trans	-130.7	123.6	157.8	0	0	0	0	0	105.9
360	N	31	Very low	30.9	Very low	159 Å²	159	140.9 Å²	140.9	85%	0.85	78%	0.778	S	S	*	*	S	Bend	trans	99.6	76.6	178.1	-50.4	-23.4	0	0	0	116.1
361	S	34.6	Very low	31	Very low	106 Å²	106	144.6 Å²	144.6	74%	0.741	79%	0.79	S	S	*	*			trans	168.2	94.3	132	38.6	0	0	0	0	107.9
362	T	32.2	Very low	30.9	Very low	125 Å²	125	147 Å²	147	77%	0.767	80%	0.795	S	S	*	*				78.8	121.7	98.4	50.4	0	0	0	0	113.9
363	S	30.9	Very low	30.7	Very low	97 Å²	97	146.3 Å²	146.3	68%	0.678	80%	0.797	S	S	*	*			trans	61.6	137	149	61.3	0	0	0	0	117.4
364	D	29.6	Very low	30.4	Very low	156 Å²	156	147.5 Å²	147.5	83%	0.834	80%	0.799	S	S	*	*			cis	-163.4	139.8	3.5	-85.4	-33.6	0	0	0	103.8
365	D	30.8	Very low	30.2	Very low	141 Å²	141	146.4 Å²	146.4	75%	0.754	80%	0.798	S	S	*	*			trans	159.8	105.8	134.8	-165	9.5	0	0	0	110.6
366	P	28.8	Very low	30.1	Very low	123 Å²	123	147 Å²	147	80%	0.799	80%	0.801	S	S	*	*			trans	-104.7	65.4	-179.2	39.3	-29.6	0	0	0	111.9
367	E	31.4	Very low	29.9	Very low	160 Å²	160	144.8 Å²	144.8	75%	0.748	79%	0.794	S	S	*	*			trans	-148.5	80.4	169.5	-81.6	-152.7	154.8	0	0	113.3
368	Q	32.7	Very low	29.5	Very low	195 Å²	195	146.5 Å²	146.5	91%	0.911	80%	0.795	S	S	*	*			trans	-165.5	48.4	144.5	-106.4	155.2	67.1	0	0	112.8	R370	Q368-R370 VanDerWaalsContact C-N 3.3Å; Q368-R370 PolarHBondContact O-N 3.43Å
369	T	27.5	Very low	29.2	Very low	143 Å²	143	142.1 Å²	142.1	88%	0.877	79%	0.787	S	S	*	*			trans	-81.3	79.7	152	-56.9	0	0	0	0	107.9
370	R	27.4	Very low	29.1	Very low	229 Å²	229	144.8 Å²	144.8	86%	0.864	79%	0.788	S	S	*	*			trans	175.4	95.8	160	-105.5	170.4	177.4	-176.5	0.3	110.7	Q368	Q368-R370 VanDerWaalsContact C-N 3.3Å; Q368-R370 PolarHBondContact O-N 3.43Å
371	M	29.6	Very low	28.9	Very low	194 Å²	194	141.2 Å²	141.2	96%	0.956	77%	0.769	S	S	*	*			trans	-176.4	81.2	130.1	-99.3	-179.3	-173	0	0	109.1	T373	M371-T373 PolarHBondContact O-N 3.34Å
372	V	29.4	Very low	28.6	Very low	133 Å²	133	140.8 Å²	140.8	81%	0.806	76%	0.759	S	S	*	*			trans	-65	112.7	154.5	173.6	0	0	0	0	107
373	T	26.8	Very low	28.5	Very low	113 Å²	113	140.4 Å²	140.4	69%	0.693	75%	0.752	S	S	*	*			trans	155.4	123.7	134.9	46.8	0	0	0	0	111.5	M371	M371-T373 PolarHBondContact O-N 3.34Å
374	N	26.7	Very low	28.3	Very low	146 Å²	146	141 Å²	141	78%	0.781	75%	0.747	S	S	*	*			trans	58.4	103.3	144.9	-57.7	-18.6	0	0	0	118.2
375	T	28	Very low	28.3	Very low	125 Å²	125	139.1 Å²	139.1	77%	0.767	75%	0.746	S	S	*	*				172.9	77.9	123.4	-62.8	0	0	0	0	109.9
376	I	29.4	Very low	28.4	Very low	170 Å²	170	140.3 Å²	140.3	87%	0.872	75%	0.745	S	S	*	*	S	Bend	trans	-138.1	75	143.3	-59.1	-173.8	0	0	0	106.9
377	Q	27.4	Very low	28.4	Very low	150 Å²	150	145.2 Å²	145.2	70%	0.701	75%	0.749	S	S	*	*			trans	26.8	101.6	131.5	-156.5	68	7	0	0	117.1
378	N	24.6	Very low	28.3	Very low	133 Å²	133	147 Å²	147	71%	0.711	76%	0.755	S	S	*	*	S	Bend		24.1	130.7	128.5	-67.8	-28.9	0	0	0	118.3
379	S	25	Very low	28.3	Very low	108 Å²	108	146.8 Å²	146.8	76%	0.755	75%	0.751	S	S	*	*			trans	86.6	62.1	156.9	79.1	0	0	0	0	117.8
380	I	27.3	Very low	28.3	Very low	135 Å²	135	145.8 Å²	145.8	69%	0.692	74%	0.739	S	S	*	*			trans	-124.6	93.2	144.6	-57.1	-179.5	0	0	0	107.4	N382	I380-N382 WeakPolarHBondContact CG2-OD1 3.47Å; I380-N382 WeakPolarHBondContact O-CB 3.44Å; I380-N382 PolarHBondContact O-N 3.1Å
381	D	27.8	Very low	28.5	Very low	83 Å²	83	144 Å²	144	44%	0.444	73%	0.734	S	S	.	*			trans	-53.2	90.9	160.9	-85.6	-41.3	0	0	0	109.8	P63 N64	P63-D381 WeakPolarHBondContact CD-OD2 3.28Å; P63-D381 HydrophobicContact CG-CB 3.83Å; P63-D381 VanDerWaalsContact O-CG 3.31Å; P63-D381 VanDerWaalsContact O-OD2 3.11Å; N64-D381 HydrophobicContact CB-CB 3.97Å; N64-D381 WeakPolarHBondContact CB-OD1 3.27Å; N64-D381 VanDerWaalsContact CG-OD1 3.29Å; N64-D381 WeakPolarHBondContact ND2-CA 3.45Å; N64-D381 WeakPolarHBondContact ND2-CB 3.01Å; N64-D381 VanDerWaalsContact ND2-CG 3.32Å; N64-D381 PolarHBondContact ND2-OD1 3.46Å
382	N	28.5	Very low	28.6	Very low	98 Å²	98	143.1 Å²	143.1	52%	0.524	72%	0.721	S	S	.	*			trans	-92.1	124.5	-169	-98.7	-31.6	0	0	0	110.4	N64 I380	N64-N382 PolarHBondContact ND2-N 3.02Å; I380-N382 WeakPolarHBondContact CG2-OD1 3.47Å; I380-N382 WeakPolarHBondContact O-CB 3.44Å; I380-N382 PolarHBondContact O-N 3.1Å
383	N	28.2	Very low	28.5	Very low	117 Å²	117	144 Å²	144	63%	0.626	72%	0.721	S	S	*	*			trans	64.4	71.9	135.8	-61.5	-25.4	0	0	0	118.6
384	N	27.5	Very low	28.7	Very low	108 Å²	108	146.4 Å²	146.4	58%	0.578	73%	0.73	S	S	*	*	S	Bend	trans	-139.7	15.6	154.5	-91.1	-32	0	0	0	115.5	I66	I66-N384 HydrophobicContact CB-CB 3.77Å; I66-N384 HydrophobicContact CD1-CB 3.24Å; I66-N384 WeakPolarHBondContact CD1-O 3.4Å; I66-N384 HydrophobicContact CG1-CB 3.92Å; I66-N384 HydrophobicContact CG2-CB 4.15Å
385	S	30.4	Very low	28.6	Very low	117 Å²	117	146 Å²	146	82%	0.818	73%	0.727	S	S	*	*	S	Bend	trans	-111.9	11.8	177	-169.6	0	0	0	0	114.3
386	K	31.7	Very low	28.6	Very low	167 Å²	167	146.8 Å²	146.8	73%	0.726	73%	0.727	S	S	*	*	S	Bend	trans	-116.8	5.8	-170.7	-115.5	177.9	-179	-179.5	0	117.1
387	Y	28.9	Very low	28.7	Very low	225 Å²	225	146.7 Å²	146.7	88%	0.882	73%	0.728	S	S	*	*	S	Bend	trans	-105.3	8.3	-178.5	-97.9	-82.5	0	0	0	116.1
388	F	30.6	Very low	28.7	Very low	198 Å²	198	147.8 Å²	147.8	87%	0.868	73%	0.733	S	S	*	*	S	Bend	trans	-111.8	16.1	174.4	-113.8	-87.6	0	0	0	114.3
389	K	31.8	Very low	29.1	Very low	191 Å²	191	148.1 Å²	148.1	83%	0.83	73%	0.734	S	S	*	*	S	Bend	trans	-129.2	32.2	-171.8	-149.4	176.5	-177.1	177.8	0	115.4
390	I	28.5	Very low	29.4	Very low	121 Å²	121	149.8 Å²	149.8	62%	0.621	74%	0.735	S	S	*	*	S	Bend	trans	-127.6	10.1	-178.4	-59.7	-179.2	0	0	0	115
391	Y	31.3	Very low	29.5	Very low	193 Å²	193	146.6 Å²	146.6	76%	0.757	74%	0.735	S	S	*	*	S	Bend	trans	-135.3	28.5	178.3	-73.1	-77.6	0	0	0	116.2
392	Y	30.5	Very low	29.6	Very low	174 Å²	174	151.2 Å²	151.2	68%	0.682	75%	0.754	S	S	*	*	S	Bend	trans	-131.4	74.5	164.6	-71.8	-79.9	0	0	0	107.7
393	D	28.2	Very low	29.6	Very low	152 Å²	152	153.3 Å²	153.3	81%	0.813	77%	0.765	S	S	*	*			trans	175.2	91.7	159.1	-94.9	-21.2	0	0	0	107.3
394	N	30.5	Very low	29.8	Very low	164 Å²	164	157.3 Å²	157.3	88%	0.877	78%	0.78	S	S	*	*				-174.9	119.5	128	-91.1	-18.1	0	0	0	109
395	N	25.4	Very low	29.8	Very low	137 Å²	137	160.7 Å²	160.7	73%	0.733	79%	0.792	S	S	*	*			trans	-61.4	163.2	163.1	-62.9	-58.2	0	0	0	110.1
396	N	26.2	Very low	29.7	Very low	141 Å²	141	164.4 Å²	164.4	75%	0.754	80%	0.797	S	S	*	*			trans	81.2	106.1	165.4	-44	-29.3	0	0	0	113
397	D	31.7	Very low	29.5	Very low	169 Å²	169	163.1 Å²	163.1	90%	0.904	80%	0.796	S	S	*	*				-164.4	121.3	111.3	-79.4	-26.5	0	0	0	109.3
398	E	29	Very low	29.6	Very low	172 Å²	172	161.9 Å²	161.9	80%	0.804	80%	0.795	S	S	*	*			trans	-90.4	168.5	176	-155.5	168	-145.8	0	0	107.8
399	L	31.6	Very low	29.4	Very low	140 Å²	140	158.9 Å²	158.9	73%	0.733	79%	0.789	S	S	*	*			trans	81.1	139.2	167	-52.3	164.9	0	0	0	115.6
400	D	31.6	Very low	29.3	Very low	143 Å²	143	157.5 Å²	157.5	77%	0.765	79%	0.79	S	S	*	*			cis	-161.5	151.3	-3.2	-84.4	-32.4	0	0	0	104.3
401	G	29	Very low	29.4	Very low	68 Å²	68	157.5 Å²	157.5	70%	0.701	80%	0.801	S	S	*	*				110.9	133.9	77.3	0	0	0	0	0	111.1
402	E	31.4	Very low	29.6	Very low	181 Å²	181	156 Å²	156	85%	0.846	80%	0.801	S	S	*	*			trans	86.4	101.2	152.5	-57.9	-180	-174.5	0	0	120.8
403	D	27.6	Very low	29.9	Very low	141 Å²	141	150 Å²	150	75%	0.754	79%	0.792	S	S	*	*				50	118.9	118.9	-54	-17.2	0	0	0	120.8
404	H	31.6	Very low	30.3	Very low	201 Å²	201	149.4 Å²	149.4	93%	0.931	79%	0.789	S	S	*	*			trans	-152.6	110	133.2	-88.3	-57.6	0	0	0	109.7
405	E	28	Very low	30.7	Very low	179 Å²	179	149 Å²	149	84%	0.836	78%	0.782	S	S	*	*			trans	-59	133.2	158.9	-67.8	-177.4	151.3	0	0	109.8
406	E	29	Very low	31.5	Very low	196 Å²	196	146.1 Å²	146.1	92%	0.916	77%	0.769	S	S	*	*			trans	-144.1	105.9	150.7	-123.7	-179.6	-174.9	0	0	109.4
407	I	27.7	Very low	32.2	Very low	140 Å²	140	144.1 Å²	144.1	72%	0.718	76%	0.757	S	S	*	*			trans	-58.1	127.4	168.7	-65.5	160.8	0	0	0	108.9
408	K	31.5	Very low	32.7	Very low	198 Å²	198	141.1 Å²	141.1	86%	0.861	74%	0.738	S	S	*	*			trans	-165	102.7	145.4	-105.9	160.1	-169.1	177.2	0	110.1
409	N	26	Very low	33.5	Very low	136 Å²	136	139.7 Å²	139.7	73%	0.727	73%	0.729	S	S	*	*			trans	6.8	120.6	147.1	-55.2	-16.5	0	0	0	116.3
410	D	29.5	Very low	34.1	Very low	161 Å²	161	138.5 Å²	138.5	86%	0.861	72%	0.715	S	S	*	*			trans	-160.4	84.7	139.9	-84.7	-27.5	0	0	0	107.6	E412	D410-E412 PolarHBondContact O-N 3.01Å
411	S	31	Very low	34.7	Very low	121 Å²	121	137.5 Å²	137.5	85%	0.846	71%	0.706	S	S	*	*			trans	-84	80.5	171.1	53.4	0	0	0	0	109.3
412	E	34.5	Very low	35.4	Very low	162 Å²	162	141.8 Å²	141.8	76%	0.757	70%	0.701	S	S	*	*			trans	-143	7.2	173.9	-104.1	179.3	-177.2	0	0	113.5	D410	D410-E412 PolarHBondContact O-N 3.01Å
413	G	36.3	Very low	36	Very low	49 Å²	49	138.4 Å²	138.4	51%	0.505	69%	0.686	S	S	.	*	S	Bend	trans	-92.3	-26.8	-176.3	0	0	0	0	0	116.3
414	D	37.2	Very low	36.8	Very low	139 Å²	139	135.9 Å²	135.9	74%	0.743	67%	0.672	S	S	*	*	H	α-helix	trans	-92.2	-25.4	-170.9	-69.4	-29.9	0	0	0	113.5	V416 I417 E418	D414-V416 PolarHBondContact O-N 3.27Å; D414-I417 PolarHBondContact O-N 3.04Å; D414-E418 PolarHBondContact O-N 3.32Å
415	E	39	Very low	37.4	Very low	155 Å²	155	133 Å²	133	72%	0.724	66%	0.659	S	S	*	*	H	α-helix	trans	-66.5	-26.2	173.3	-81.7	-168.2	162.9	0	0	112.7	K419	E415-K419 WeakPolarHBondContact O-CB 3.1Å; E415-K419 PolarHBondContact O-N 2.91Å
416	V	43.2	Very low	38.2	Very low	76 Å²	76	130.9 Å²	130.9	46%	0.461	65%	0.653	S	S	.	*	H	α-helix	trans	-69.3	-42.7	-178.9	-179	0	0	0	0	110	D414 K419 Y420	D414-V416 PolarHBondContact O-N 3.27Å; V416-K419 PolarHBondContact O-N 3.19Å; V416-Y420 HydrophobicContact CG1-CD2 3.62Å; V416-Y420 HydrophobicContact CG1-CE2 3.42Å; V416-Y420 VanDerWaalsContact CG1-CE2 3.42Å; V416-Y420 WeakPolarHBondContact O-CD2 3.2Å; V416-Y420 PolarHBondContact O-N 3.1Å
417	I	40.2	Very low	38.7	Very low	100 Å²	100	129.2 Å²	129.2	51%	0.513	65%	0.645	S	S	.	*	H	α-helix	trans	-67	-44.1	179.9	-60.8	175	0	0	0	110.5	D414 K419 Y420 E421	D414-I417 PolarHBondContact O-N 3.04Å; I417-K419 VanDerWaalsContact C-N 3.34Å; I417-K419 PolarHBondContact O-N 3.47Å; I417-Y420 PolarHBondContact O-N 3.3Å; I417-E421 WeakPolarHBondContact O-CG 3.19Å; I417-E421 PolarHBondContact O-N 3.46Å
418	E	42.6	Very low	39.4	Very low	105 Å²	105	129.7 Å²	129.7	49%	0.491	65%	0.649	S	S	.	*	H	α-helix	trans	-70.9	-28.6	-179.2	-134.9	-172.4	-143.8	0	0	113	D414 R422	D414-E418 PolarHBondContact O-N 3.32Å; E418-R422 WeakPolarHBondContact O-CG 3.42Å; E418-R422 PolarHBondContact O-N 2.88Å; E418-R422 IonicContact OE2-CZ 3.94Å; E418-R422 IonicContact OE2-NH2 2.78Å; E418-R422 PolarHBondContact OE2-NH2 2.92Å
419	K	46.1	Very low	39.6	Very low	142 Å²	142	128.9 Å²	128.9	62%	0.617	65%	0.645	S	S	*	*	H	α-helix	trans	-74.2	-34.4	172.4	-163.2	174.7	-173.4	177	0	111.8	E415 V416 I417 Q423	E415-K419 WeakPolarHBondContact O-CB 3.1Å; E415-K419 PolarHBondContact O-N 2.91Å; V416-K419 PolarHBondContact O-N 3.19Å; I417-K419 VanDerWaalsContact C-N 3.34Å; I417-K419 PolarHBondContact O-N 3.47Å; K419-Q423 WeakPolarHBondContact O-CB 3.43Å; K419-Q423 WeakPolarHBondContact O-CG 3.42Å; K419-Q423 PolarHBondContact O-N 2.97Å
420	Y	42.9	Very low	40	Very low	115 Å²	115	131.7 Å²	131.7	45%	0.451	65%	0.654	S	S	.	*	H	α-helix	trans	-72.3	-31.5	173.6	-85.3	-65.6	0	0	0	113.1	V416 I417 N424	V416-Y420 HydrophobicContact CG1-CD2 3.62Å; V416-Y420 HydrophobicContact CG1-CE2 3.42Å; V416-Y420 VanDerWaalsContact CG1-CE2 3.42Å; V416-Y420 WeakPolarHBondContact O-CD2 3.2Å; V416-Y420 PolarHBondContact O-N 3.1Å; I417-Y420 PolarHBondContact O-N 3.3Å; Y420-N424 PolarHBondContact O-N 2.87Å; Y420-N424 PolarHBondContact O-ND2 3.48Å
421	E	44.7	Very low	40.2	Very low	123 Å²	123	128.4 Å²	128.4	58%	0.575	64%	0.642	S	S	*	*	H	α-helix	trans	-68.8	-41.2	173	-74	-179.7	167.8	0	0	111.4	I417 E425	I417-E421 WeakPolarHBondContact O-CG 3.19Å; I417-E421 PolarHBondContact O-N 3.46Å; E421-E425 PolarHBondContact O-N 3.48Å
422	R	43.8	Very low	40.2	Very low	157 Å²	157	130 Å²	130	59%	0.592	64%	0.641	S	S	*	*	H	α-helix	trans	-68.1	-36.8	174.6	-72.8	-175.2	-118.1	-150.5	-0.7	113.6	E418 N424 E425	E418-R422 WeakPolarHBondContact O-CG 3.42Å; E418-R422 PolarHBondContact O-N 2.88Å; E418-R422 IonicContact OE2-CZ 3.94Å; E418-R422 IonicContact OE2-NH2 2.78Å; E418-R422 PolarHBondContact OE2-NH2 2.92Å; R422-N424 PolarHBondContact O-N 3.4Å; R422-E425 PolarHBondContact O-N 2.89Å
423	Q	44.1	Very low	39.8	Very low	111 Å²	111	128.7 Å²	128.7	52%	0.519	65%	0.648	S	S	.	*	H	α-helix	trans	-70.2	-29	178.6	-78.8	-179.1	-26.5	0	0	113.7	K419	K419-Q423 WeakPolarHBondContact O-CB 3.43Å; K419-Q423 WeakPolarHBondContact O-CG 3.42Å; K419-Q423 PolarHBondContact O-N 2.97Å
424	N	43.7	Very low	39.4	Very low	87 Å²	87	129 Å²	129	47%	0.465	65%	0.65	S	S	.	*	H	α-helix	trans	-81	-16.4	177.1	-80.4	-63.8	0	0	0	113.8	Y420 R422	Y420-N424 PolarHBondContact O-N 2.87Å; Y420-N424 PolarHBondContact O-ND2 3.48Å; R422-N424 PolarHBondContact O-N 3.4Å
425	E	45.3	Very low	39.1	Very low	141 Å²	141	129.9 Å²	129.9	66%	0.659	66%	0.655	S	S	*	*	H	α-helix	trans	-77.3	-28.1	174.5	-73.9	-173	157.2	0	0	112.3	E421 R422	E421-E425 PolarHBondContact O-N 3.48Å; R422-E425 PolarHBondContact O-N 2.89Å
426	D	43.2	Very low	38.9	Very low	135 Å²	135	127.6 Å²	127.6	72%	0.722	64%	0.644	S	S	*	*	H	α-helix	trans	-84.5	-16.4	-178.9	-75.7	-31.6	0	0	0	114.5	L428	D426-L428 VanDerWaalsContact C-N 3.34Å
427	E	40.8	Very low	39.4	Very low	160 Å²	160	129.7 Å²	129.7	75%	0.748	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	3.7	175.6	-75.3	-169.6	162.3	0	0	114.2	K429	E427-K429 PolarHBondContact O-N 3.34Å
428	L	41.3	Very low	40.7	Very low	150 Å²	150	129.7 Å²	129.7	79%	0.785	65%	0.654	S	S	*	*			trans	-79.1	45.5	169.7	-95.5	139.8	0	0	0	112.5	D426	D426-L428 VanDerWaalsContact C-N 3.34Å
429	K	37.1	Very low	42.5	Very low	182 Å²	182	126.1 Å²	126.1	79%	0.791	64%	0.637	S	S	*	*	S	Bend	trans	-108.2	109.9	164.2	-75.9	-179.9	-178.5	172.9	0	108.4	E427	E427-K429 PolarHBondContact O-N 3.34Å
430	Q	34.5	Very low	44.1	Very low	195 Å²	195	125.4 Å²	125.4	91%	0.911	64%	0.635	S	S	*	*			trans	-38.3	119	-175.4	-63.3	-178.2	-12.8	0	0	113.4
431	P	32.5	Very low	45.8	Very low	92 Å²	92	121.4 Å²	121.4	60%	0.597	62%	0.62	S	S	*	*			trans	-85.1	135.8	162.2	11.1	6.2	0	0	0	109.3	Q436	P431-Q436 PolarHBondContact O-NE2 2.93Å
432	D	31.2	Very low	47.3	Very low	155 Å²	155	118.8 Å²	118.8	83%	0.829	61%	0.61	S	S	*	*			trans	-38.5	146.1	-177.6	-97	-41.2	0	0	0	117	G434	D432-G434 PolarHBondContact O-N 3.4Å; D432-G434 VanDerWaalsContact O-N 3.13Å
433	C	26.3	Very low	48.5	Very low	134 Å²	134	114.1 Å²	114.1	91%	0.905	60%	0.595	S	S	*	*	S	Bend	trans	-61.9	100.5	-179.8	-172.2	0	0	0	0	112.4
434	G	27.9	Very low	49.8	Very low	54 Å²	54	116.6 Å²	116.6	56%	0.557	61%	0.607	S	S	*	*	S	Bend	trans	179.4	111.3	168.7	0	0	0	0	0	112.7	D432 Q436	D432-G434 PolarHBondContact O-N 3.4Å; D432-G434 VanDerWaalsContact O-N 3.13Å; G434-Q436 PolarHBondContact O-N 3.46Å
435	N	30.7	Very low	51	Low	158 Å²	158	117.2 Å²	117.2	85%	0.845	61%	0.607	S	S	*	*	S	Bend	trans	73.6	6.9	175.7	-63.6	-19.3	0	0	0	119.6	H437	N435-H437 PolarHBondContact O-N 3.29Å
436	Q	35.9	Very low	51.9	Low	107 Å²	107	113 Å²	113	50%	0.5	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.9	32.6	-178.8	-66.3	177.9	-3.9	0	0	116.1	P431 G434 R467	P431-Q436 PolarHBondContact O-NE2 2.93Å; G434-Q436 PolarHBondContact O-N 3.46Å; Q436-R467 PolarHBondContact O-NH1 3.24Å
437	H	52.1	Low	52.8	Low	121 Å²	121	108.4 Å²	108.4	56%	0.56	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-9.7	-175.5	-76.5	-73	0	0	0	115.3	N435 R467	N435-H437 PolarHBondContact O-N 3.29Å; H437-R467 PolarHBondContact ND1-NH2 3.4Å
438	T	67.2	Low	53.9	Low	99 Å²	99	108.8 Å²	108.8	61%	0.607	56%	0.564	S	S	*	*	S	Bend	trans	-105.8	136.4	-174.6	54	0	0	0	0	111.9	H440	T438-H440 PolarHBondContact O-N 3.46Å
439	F	82.1	Confident	54.8	Low	31 Å²	31	107.2 Å²	107.2	14%	0.136	55%	0.553	C	S	.	*			trans	-53.1	125.7	171	177.7	-108.7	0	0	0	110.3	F441 F456 Q459 I460 Q463 L464 P522 Y523	F439-F441 HydrophobicContact CE1-CB 3.71Å; F439-F441 HydrophobicContact CZ-CB 3.96Å; F439-F456 HydrophobicContact CE1-CD2 4.1Å; F439-F456 AromaticContact CE1-CE2 3.59Å; F439-F456 HydrophobicContact CE1-CE2 3.59Å; F439-F456 HydrophobicContact CE1-CZ 4.21Å; F439-F456 HydrophobicContact CZ-CD2 4.28Å; F439-F456 HydrophobicContact CZ-CE2 4.18Å; F439-Q459 HydrophobicContact CE2-CB 4.17Å; F439-Q459 HydrophobicContact CE2-CG 3.95Å; F439-Q459 HydrophobicContact CZ-CB 4.16Å; F439-Q459 HydrophobicContact CZ-CG 4.2Å; F439-I460 HydrophobicContact CE1-CG1 4.3Å; F439-I460 HydrophobicContact CE2-CB 4.43Å; F439-I460 HydrophobicContact CE2-CG1 3.81Å; F439-I460 HydrophobicContact CZ-CG1 3.59Å; F439-Q463 HydrophobicContact CD2-CB 4.27Å; F439-Q463 VanDerWaalsContact CD2-OE1 3.29Å; F439-Q463 HydrophobicContact CE2-CB 4.46Å; F439-L464 HydrophobicContact CB-CD1 4.12Å; F439-L464 HydrophobicContact CB-CD2 4.14Å; F439-L464 HydrophobicContact CB-CG 4.45Å; F439-L464 HydrophobicContact CD2-CD1 3.7Å; F439-L464 HydrophobicContact CD2-CD2 4.13Å; F439-L464 HydrophobicContact CD2-CG 3.7Å; F439-L464 HydrophobicContact CE2-CD1 4.39Å; F439-L464 HydrophobicContact CE2-CG 4.41Å; F439-L464 HydrophobicContact CG-CD1 4.02Å; F439-L464 HydrophobicContact CG-CG 4.39Å; F439-P522 HydrophobicContact CD1-CB 4.09Å; F439-P522 HydrophobicContact CD1-CG 3.68Å; F439-P522 HydrophobicContact CE1-CB 4.34Å; F439-P522 HydrophobicContact CE1-CG 3.77Å; F439-P522 HydrophobicContact CG-CB 4.33Å; F439-P522 HydrophobicContact CG-CG 4.41Å; F439-Y523 HydrophobicContact CB-CE2 4.16Å; F439-Y523 PolarHBondContact N-OH 3.05Å
440	H	78.2	Confident	56	Low	127 Å²	127	102.1 Å²	102.1	59%	0.588	53%	0.534	S	S	*	.			trans	-116.9	125.9	-179.9	-176.7	76.4	0	0	0	110.1	T438 Q463	T438-H440 PolarHBondContact O-N 3.46Å; H440-Q463 VanDerWaalsContact N-OE1 3.1Å; H440-Q463 PolarHBondContact O-NE2 2.94Å; H440-Q463 PolarHBondContact O-OE1 2.92Å
441	F	78.8	Confident	57.5	Low	30 Å²	30	94.4 Å²	94.4	13%	0.132	50%	0.502	C	S	.	.			trans	-139.1	116.1	175.4	-179.7	-105.5	0	0	0	109.5	F439 Q443 H446 S452 C455 F456 Q459	F439-F441 HydrophobicContact CE1-CB 3.71Å; F439-F441 HydrophobicContact CZ-CB 3.96Å; F441-Q443 VanDerWaalsContact C-N 3.33Å; F441-Q443 HydrophobicContact CD1-CB 3.9Å; F441-Q443 HydrophobicContact CD1-CG 4.43Å; F441-Q443 HydrophobicContact CE1-CB 3.93Å; F441-Q443 HydrophobicContact CE1-CG 4.07Å; F441-Q443 PolarHBondContact O-N 2.99Å; F441-H446 HydrophobicContact CE2-CB 4.49Å; F441-H446 AromaticContact CE2-CD2 3.49Å; F441-H446 VanDerWaalsContact CE2-CD2 3.49Å; F441-H446 WeakPolarHBondContact CE2-CD2 3.49Å; F441-H446 HydrophobicContact CZ-CB 3.91Å; F441-H446 AromaticContact CZ-CD2 3.74Å; F441-S452 WeakPolarHBondContact CZ-O 3.46Å; F441-C455 HydrophobicContact CE2-CB 4.12Å; F441-C455 HydrophobicContact CZ-CB 4.34Å; F441-F456 HydrophobicContact CB-CD2 4.19Å; F441-F456 HydrophobicContact CB-CE2 4.45Å; F441-F456 AromaticContact CD1-CD2 3.5Å; F441-F456 HydrophobicContact CD1-CD2 3.5Å; F441-F456 VanDerWaalsContact CD1-CD2 3.5Å; F441-F456 HydrophobicContact CD1-CE2 4.17Å; F441-F456 HydrophobicContact CD1-CG 4.49Å; F441-F456 HydrophobicContact CD2-CB 4.45Å; F441-F456 HydrophobicContact CD2-CD2 4.08Å; F441-F456 HydrophobicContact CE1-CB 4Å; F441-F456 AromaticContact CE1-CD2 3.75Å; F441-F456 HydrophobicContact CE1-CD2 3.75Å; F441-F456 HydrophobicContact CE1-CG 4.36Å; F441-F456 VanDerWaalsContact CE2-CA 3.41Å; F441-F456 HydrophobicContact CE2-CB 3.96Å; F441-F456 HydrophobicContact CE2-CD2 4.35Å; F441-F456 AromaticContact CG-CD2 3.65Å; F441-F456 HydrophobicContact CG-CD2 3.65Å; F441-F456 HydrophobicContact CG-CE2 4.33Å; F441-F456 HydrophobicContact CZ-CB 3.69Å; F441-F456 HydrophobicContact CZ-CD2 4.18Å; F441-F456 HydrophobicContact CZ-CG 4.47Å; F441-Q459 HydrophobicContact CD2-CB 4.01Å; F441-Q459 HydrophobicContact CD2-CG 4.25Å
442	D	75.5	Confident	59.6	Low	68 Å²	68	90.1 Å²	90.1	36%	0.364	47%	0.474	S	S	.	.			trans	-75.5	90.1	172	-168.4	-22.7	0	0	0	109.8	Q444 E445 H446	D442-Q444 PolarHBondContact O-N 3.36Å; D442-Q444 WeakPolarHBondContact OD1-CB 3.37Å; D442-Q444 PolarHBondContact OD1-N 3.41Å; D442-E445 HydrophobicContact CB-CB 4.06Å; D442-E445 PolarHBondContact OD1-N 2.87Å; D442-H446 PolarHBondContact O-CD2 2.87Å; D442-H446 VanDerWaalsContact O-CD2 3.24Å; D442-H446 PolarHBondContact O-N 3.03Å
443	Q	70.9	Confident	62.2	Low	60 Å²	60	82.9 Å²	82.9	28%	0.28	44%	0.436	S	S	.	.	H	α-helix	trans	-66.1	-27.5	178.7	-166.2	169	19.3	0	0	112.4	N324 F441 S447	N324-Q443 HydrophobicContact CB-CG 4.41Å; N324-Q443 PolarHBondContact ND2-NE2 2.88Å; F441-Q443 VanDerWaalsContact C-N 3.33Å; F441-Q443 HydrophobicContact CD1-CB 3.9Å; F441-Q443 HydrophobicContact CD1-CG 4.43Å; F441-Q443 HydrophobicContact CE1-CB 3.93Å; F441-Q443 HydrophobicContact CE1-CG 4.07Å; F441-Q443 PolarHBondContact O-N 2.99Å; Q443-S447 VanDerWaalsContact O-CB 3.24Å; Q443-S447 WeakPolarHBondContact O-CB 3.25Å; Q443-S447 PolarHBondContact O-N 3.47Å; Q443-S447 PolarHBondContact O-OG 3.33Å
444	Q	70.8	Confident	65.1	Low	163 Å²	163	78.5 Å²	78.5	76%	0.762	40%	0.403	S	S	*	.	H	α-helix	trans	-74.9	-38.7	-176.6	-63.7	-174.2	4.4	0	0	111.4	D442	D442-Q444 PolarHBondContact O-N 3.36Å; D442-Q444 WeakPolarHBondContact OD1-CB 3.37Å; D442-Q444 PolarHBondContact OD1-N 3.41Å
445	E	68.3	Low	67.9	Low	100 Å²	100	77 Å²	77	47%	0.467	38%	0.384	S	S	.	.	H	α-helix	trans	-61.5	-53.3	174.6	-172.4	174.4	-169.6	0	0	111	D442 S447 K448	D442-E445 HydrophobicContact CB-CB 4.06Å; D442-E445 PolarHBondContact OD1-N 2.87Å; E445-S447 VanDerWaalsContact C-N 3.34Å; E445-S447 PolarHBondContact O-N 2.99Å; E445-K448 WeakPolarHBondContact O-CB 3.4Å; E445-K448 PolarHBondContact O-N 3.36Å
446	H	64.8	Low	70.8	Confident	52 Å²	52	70.1 Å²	70.1	24%	0.241	35%	0.347	C	S	.	.	H	α-helix	trans	-75.9	-17	-176.2	-67.1	-68.3	0	0	0	114.6	F441 D442 K448 H449 C455	F441-H446 HydrophobicContact CE2-CB 4.49Å; F441-H446 AromaticContact CE2-CD2 3.49Å; F441-H446 VanDerWaalsContact CE2-CD2 3.49Å; F441-H446 WeakPolarHBondContact CE2-CD2 3.49Å; F441-H446 HydrophobicContact CZ-CB 3.91Å; F441-H446 AromaticContact CZ-CD2 3.74Å; D442-H446 PolarHBondContact O-CD2 2.87Å; D442-H446 VanDerWaalsContact O-CD2 3.24Å; D442-H446 PolarHBondContact O-N 3.03Å; H446-K448 PolarHBondContact O-N 2.9Å; H446-H449 PolarHBondContact O-N 3.48Å; H446-C455 HydrophobicContact CB-CB 4.31Å
447	S	62.2	Low	73.5	Confident	38 Å²	38	65 Å²	65	27%	0.266	32%	0.323	S	S	.	.	H	α-helix	trans	-65.6	-22.2	174	-68.2	0	0	0	0	112.7	Q443 E445 H449	Q443-S447 VanDerWaalsContact O-CB 3.24Å; Q443-S447 WeakPolarHBondContact O-CB 3.25Å; Q443-S447 PolarHBondContact O-N 3.47Å; Q443-S447 PolarHBondContact O-OG 3.33Å; E445-S447 VanDerWaalsContact C-N 3.34Å; E445-S447 PolarHBondContact O-N 2.99Å; S447-H449 VanDerWaalsContact C-N 3.33Å; S447-H449 PolarHBondContact O-N 3.15Å
448	K	62.5	Low	75.4	Confident	168 Å²	168	62.8 Å²	62.8	73%	0.73	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-29.9	-179.3	-64.5	174.7	-174.4	169.7	0	113.1	E445 H446	E445-K448 WeakPolarHBondContact O-CB 3.4Å; E445-K448 PolarHBondContact O-N 3.36Å; H446-K448 PolarHBondContact O-N 2.9Å
449	H	60.6	Low	76.6	Confident	118 Å²	118	60.8 Å²	60.8	55%	0.546	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	11	-170.2	-61.5	-73	0	0	0	114	H446 S447 C451	H446-H449 PolarHBondContact O-N 3.48Å; S447-H449 VanDerWaalsContact C-N 3.33Å; S447-H449 PolarHBondContact O-N 3.15Å; H449-C451 VanDerWaalsContact CB-SG 3.53Å; H449-C451 PolarHBondContact O-N 2.96Å
450	N	62.6	Low	77.1	Confident	74 Å²	74	59.3 Å²	59.3	40%	0.396	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	16.9	-178.4	-162.4	23.6	0	0	0	115.1	P327 Q328	P327-N450 WeakPolarHBondContact CA-OD1 3.35Å; Q328-N450 WeakPolarHBondContact CB-OD1 3.38Å; Q328-N450 PolarHBondContact N-OD1 3.1Å
451	C	66.2	Low	78	Confident	34 Å²	34	53.7 Å²	53.7	23%	0.23	26%	0.264	C	S	.	.			trans	-108.3	9.2	-179.3	59.5	0	0	0	0	112	H449 G453 D454 C455	H449-C451 VanDerWaalsContact CB-SG 3.53Å; H449-C451 PolarHBondContact O-N 2.96Å; C451-G453 PolarHBondContact O-N 3.45Å; C451-G453 VanDerWaalsContact O-N 3.09Å; C451-D454 PolarHBondContact O-N 3.25Å; C451-C455 PolarHBondContact O-N 3.13Å; C451-C455 PolarHBondContact SG-SG 3.39Å
452	S	76.7	Confident	78.7	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.014	28%	0.278	C	S	.	.	H	α-helix	trans	-61.1	-31.8	-164.9	94.4	0	0	0	0	113.8	N324 F441 F456	N324-S452 WeakPolarHBondContact CB-OG 3.44Å; N324-S452 PolarHBondContact O-OG 3.35Å; F441-S452 WeakPolarHBondContact CZ-O 3.46Å; S452-F456 WeakPolarHBondContact O-CB 3.29Å; S452-F456 PolarHBondContact O-N 2.93Å
453	G	84.9	Confident	79.5	Confident	2 Å²	2	56.3 Å²	56.3	2%	0.021	27%	0.273	C	S	.	.	H	α-helix	trans	-69.6	-39.4	174.3	0	0	0	0	0	113.3	C451 L457	C451-G453 PolarHBondContact O-N 3.45Å; C451-G453 VanDerWaalsContact O-N 3.09Å; G453-L457 WeakPolarHBondContact O-CG 3.48Å; G453-L457 PolarHBondContact O-N 2.99Å
454	D	87.6	Confident	80.6	Confident	43 Å²	43	54 Å²	54	23%	0.23	26%	0.262	C	S	.	.	H	α-helix	trans	-70.8	-50.3	179.1	-68.5	-20.6	0	0	0	110.3	C451 F456 L457 E458 K484 L488	C451-D454 PolarHBondContact O-N 3.25Å; D454-F456 VanDerWaalsContact C-N 3.25Å; D454-F456 PolarHBondContact O-N 3.49Å; D454-L457 PolarHBondContact O-N 3.06Å; D454-L457 VanDerWaalsContact O-N 3.1Å; D454-E458 PolarHBondContact O-N 2.91Å; D454-K484 VanDerWaalsContact OD1-CB 3.29Å; D454-K484 WeakPolarHBondContact OD1-CB 3.21Å; D454-L488 VanDerWaalsContact OD1-CD1 3.23Å; D454-L488 WeakPolarHBondContact OD1-CD1 3.31Å; D454-L488 WeakPolarHBondContact OD1-CD2 3.22Å; D454-L488 WeakPolarHBondContact OD1-CG 3.29Å
455	C	88.2	Confident	81.7	Confident	23 Å²	23	46.2 Å²	46.2	16%	0.155	23%	0.226	C	C	.	.	H	α-helix	trans	-59.5	-37.2	175.7	-64.4	0	0	0	0	111.9	F441 H446 C451 L457 E458 Q459	F441-C455 HydrophobicContact CE2-CB 4.12Å; F441-C455 HydrophobicContact CZ-CB 4.34Å; H446-C455 HydrophobicContact CB-CB 4.31Å; C451-C455 PolarHBondContact O-N 3.13Å; C451-C455 PolarHBondContact SG-SG 3.39Å; C455-L457 PolarHBondContact O-N 3.37Å; C455-E458 PolarHBondContact O-N 3.31Å; C455-Q459 WeakPolarHBondContact O-CB 3.08Å; C455-Q459 PolarHBondContact O-N 2.99Å
456	F	90	Very high	83	Confident	13 Å²	13	44.6 Å²	44.6	6%	0.057	22%	0.22	C	C	.	.	H	α-helix	trans	-60.7	-44.8	175.5	-178.3	-105.9	0	0	0	111.9	W325 F439 F441 S452 D454 Q459 I460 I491 P522	W325-F456 HydrophobicContact CH2-CE1 4.34Å; W325-F456 HydrophobicContact CH2-CZ 4.42Å; W325-F456 HydrophobicContact CZ2-CD1 4.39Å; W325-F456 AromaticContact CZ2-CE1 3.77Å; W325-F456 HydrophobicContact CZ2-CE1 3.77Å; W325-F456 HydrophobicContact CZ2-CE2 4.26Å; W325-F456 AromaticContact CZ2-CZ 3.68Å; W325-F456 HydrophobicContact CZ2-CZ 3.68Å; W325-F456 AromaticContact NE1-CG 3.99Å; F439-F456 HydrophobicContact CE1-CD2 4.1Å; F439-F456 AromaticContact CE1-CE2 3.59Å; F439-F456 HydrophobicContact CE1-CE2 3.59Å; F439-F456 HydrophobicContact CE1-CZ 4.21Å; F439-F456 HydrophobicContact CZ-CD2 4.28Å; F439-F456 HydrophobicContact CZ-CE2 4.18Å; F441-F456 HydrophobicContact CB-CD2 4.19Å; F441-F456 HydrophobicContact CB-CE2 4.45Å; F441-F456 AromaticContact CD1-CD2 3.5Å; F441-F456 HydrophobicContact CD1-CD2 3.5Å; F441-F456 VanDerWaalsContact CD1-CD2 3.5Å; F441-F456 HydrophobicContact CD1-CE2 4.17Å; F441-F456 HydrophobicContact CD1-CG 4.49Å; F441-F456 HydrophobicContact CD2-CB 4.45Å; F441-F456 HydrophobicContact CD2-CD2 4.08Å; F441-F456 HydrophobicContact CE1-CB 4Å; F441-F456 AromaticContact CE1-CD2 3.75Å; F441-F456 HydrophobicContact CE1-CD2 3.75Å; F441-F456 HydrophobicContact CE1-CG 4.36Å; F441-F456 VanDerWaalsContact CE2-CA 3.41Å; F441-F456 HydrophobicContact CE2-CB 3.96Å; F441-F456 HydrophobicContact CE2-CD2 4.35Å; F441-F456 AromaticContact CG-CD2 3.65Å; F441-F456 HydrophobicContact CG-CD2 3.65Å; F441-F456 HydrophobicContact CG-CE2 4.33Å; F441-F456 HydrophobicContact CZ-CB 3.69Å; F441-F456 HydrophobicContact CZ-CD2 4.18Å; F441-F456 HydrophobicContact CZ-CG 4.47Å; S452-F456 WeakPolarHBondContact O-CB 3.29Å; S452-F456 PolarHBondContact O-N 2.93Å; D454-F456 VanDerWaalsContact C-N 3.25Å; D454-F456 PolarHBondContact O-N 3.49Å; F456-Q459 PolarHBondContact O-N 3.2Å; F456-I460 HydrophobicContact CD1-CD1 3.76Å; F456-I460 HydrophobicContact CE1-CD1 3.53Å; F456-I460 HydrophobicContact CG-CD1 4.5Å; F456-I460 HydrophobicContact CZ-CD1 4.12Å; F456-I460 VanDerWaalsContact O-CG1 3.31Å; F456-I460 WeakPolarHBondContact O-CG1 3.23Å; F456-I460 PolarHBondContact O-N 3.32Å; F456-I491 HydrophobicContact CD1-CD1 3.72Å; F456-I491 HydrophobicContact CE1-CD1 4.25Å; F456-P522 HydrophobicContact CE1-CG 4.31Å; F456-P522 HydrophobicContact CE2-CG 4.26Å; F456-P522 HydrophobicContact CZ-CG 3.59Å
457	L	93	Very high	84.3	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-67.4	-42.3	177.3	-70.7	167.9	0	0	0	112.3	G453 D454 C455 Q459 I460 H461 P483 G487 L488 I491 Y525	G453-L457 WeakPolarHBondContact O-CG 3.48Å; G453-L457 PolarHBondContact O-N 2.99Å; D454-L457 PolarHBondContact O-N 3.06Å; D454-L457 VanDerWaalsContact O-N 3.1Å; C455-L457 PolarHBondContact O-N 3.37Å; L457-Q459 PolarHBondContact O-N 2.94Å; L457-I460 HydrophobicContact CD2-CD1 4.49Å; L457-I460 WeakPolarHBondContact O-CB 3.49Å; L457-I460 PolarHBondContact O-N 3.45Å; L457-H461 PolarHBondContact O-CD2 3.27Å; L457-H461 VanDerWaalsContact O-CD2 3.25Å; L457-H461 PolarHBondContact O-N 2.93Å; L457-P483 HydrophobicContact CB-CB 3.93Å; L457-G487 VanDerWaalsContact CD1-C 3.47Å; L457-L488 HydrophobicContact CD1-CB 4.28Å; L457-L488 HydrophobicContact CD1-CD2 3.77Å; L457-L488 HydrophobicContact CD1-CG 3.78Å; L457-L488 VanDerWaalsContact CD1-N 3.28Å; L457-I491 HydrophobicContact CD1-CD1 4.09Å; L457-I491 HydrophobicContact CD2-CD1 3.79Å; L457-I491 HydrophobicContact CD2-CG1 4.31Å; L457-I491 HydrophobicContact CD2-CG2 3.92Å; L457-I491 HydrophobicContact CG-CD1 3.73Å; L457-Y525 HydrophobicContact CD2-CD2 4.34Å; L457-Y525 HydrophobicContact CD2-CE2 3.84Å
458	E	92.3	Very high	85.8	Confident	74 Å²	74	51.1 Å²	51.1	35%	0.346	24%	0.24	S	C	.	.	H	α-helix	trans	-58.9	-41.6	175.1	-73.4	178.4	-172.9	0	0	111	D454 C455 I460 H461 K462	D454-E458 PolarHBondContact O-N 2.91Å; C455-E458 PolarHBondContact O-N 3.31Å; E458-I460 PolarHBondContact O-N 3.41Å; E458-H461 PolarHBondContact O-N 2.7Å; E458-H461 VanDerWaalsContact O-N 3.16Å; E458-K462 WeakPolarHBondContact O-CB 2.9Å; E458-K462 WeakPolarHBondContact O-CG 2.98Å; E458-K462 PolarHBondContact O-N 3.4Å
459	Q	92	Very high	87.2	Confident	56 Å²	56	44.8 Å²	44.8	26%	0.262	21%	0.214	S	C	.	.	H	α-helix	trans	-67.9	-36.5	177.8	-160.9	67.4	-17.4	0	0	112.5	F439 F441 C455 F456 L457 H461 K462 Q463	F439-Q459 HydrophobicContact CE2-CB 4.17Å; F439-Q459 HydrophobicContact CE2-CG 3.95Å; F439-Q459 HydrophobicContact CZ-CB 4.16Å; F439-Q459 HydrophobicContact CZ-CG 4.2Å; F441-Q459 HydrophobicContact CD2-CB 4.01Å; F441-Q459 HydrophobicContact CD2-CG 4.25Å; C455-Q459 WeakPolarHBondContact O-CB 3.08Å; C455-Q459 PolarHBondContact O-N 2.99Å; F456-Q459 PolarHBondContact O-N 3.2Å; L457-Q459 PolarHBondContact O-N 2.94Å; Q459-H461 VanDerWaalsContact C-N 3.28Å; Q459-H461 PolarHBondContact O-N 3.22Å; Q459-K462 PolarHBondContact O-N 3.01Å; Q459-Q463 HydrophobicContact CG-CG 3.99Å; Q459-Q463 VanDerWaalsContact O-CB 3.29Å; Q459-Q463 WeakPolarHBondContact O-CB 3.3Å; Q459-Q463 PolarHBondContact O-N 3.47Å
460	I	93.8	Very high	88.8	Confident	1 Å²	1	42 Å²	42	1%	0.005	21%	0.208	C	C	.	.	I	π-helix	trans	-59	-43.5	171.4	-69.6	168.3	0	0	0	110.4	F439 F456 L457 E458 L464 L465 P522 Y525	F439-I460 HydrophobicContact CE1-CG1 4.3Å; F439-I460 HydrophobicContact CE2-CB 4.43Å; F439-I460 HydrophobicContact CE2-CG1 3.81Å; F439-I460 HydrophobicContact CZ-CG1 3.59Å; F456-I460 HydrophobicContact CD1-CD1 3.76Å; F456-I460 HydrophobicContact CE1-CD1 3.53Å; F456-I460 HydrophobicContact CG-CD1 4.5Å; F456-I460 HydrophobicContact CZ-CD1 4.12Å; F456-I460 VanDerWaalsContact O-CG1 3.31Å; F456-I460 WeakPolarHBondContact O-CG1 3.23Å; F456-I460 PolarHBondContact O-N 3.32Å; L457-I460 HydrophobicContact CD2-CD1 4.49Å; L457-I460 WeakPolarHBondContact O-CB 3.49Å; L457-I460 PolarHBondContact O-N 3.45Å; E458-I460 PolarHBondContact O-N 3.41Å; I460-L464 HydrophobicContact CG2-CD1 4.33Å; I460-L464 WeakPolarHBondContact O-CA 3.4Å; I460-L464 VanDerWaalsContact O-CB 3.26Å; I460-L464 WeakPolarHBondContact O-CB 3.21Å; I460-L464 PolarHBondContact O-N 2.92Å; I460-L465 PolarHBondContact O-N 2.74Å; I460-P522 HydrophobicContact CD1-CB 3.98Å; I460-P522 HydrophobicContact CD1-CG 4.15Å; I460-P522 HydrophobicContact CG1-CB 3.99Å; I460-P522 HydrophobicContact CG1-CG 4.38Å; I460-Y525 HydrophobicContact CG2-CD1 3.62Å; I460-Y525 HydrophobicContact CG2-CE1 3.88Å
461	H	95.6	Very high	90.4	Very high	9 Å²	9	44.3 Å²	44.3	4%	0.042	22%	0.22	C	C	.	.	I	π-helix	trans	-67.6	-48.1	179.1	-80.7	-123.1	0	0	0	111.9	L457 E458 Q459 L465 L466 Y473 P483 Y525	L457-H461 PolarHBondContact O-CD2 3.27Å; L457-H461 VanDerWaalsContact O-CD2 3.25Å; L457-H461 PolarHBondContact O-N 2.93Å; E458-H461 PolarHBondContact O-N 2.7Å; E458-H461 VanDerWaalsContact O-N 3.16Å; Q459-H461 VanDerWaalsContact C-N 3.28Å; Q459-H461 PolarHBondContact O-N 3.22Å; H461-L465 WeakPolarHBondContact ND1-CD2 3.03Å; H461-L465 WeakPolarHBondContact O-CB 3.39Å; H461-L465 PolarHBondContact O-N 3.03Å; H461-L466 PolarHBondContact O-N 3.47Å; H461-Y473 HydrophobicContact CB-CD2 4.28Å; H461-Y473 HydrophobicContact CB-CE2 4.18Å; H461-Y473 WeakPolarHBondContact O-CD2 3.36Å; H461-P483 HydrophobicContact CB-CG 4.27Å; H461-Y525 AromaticContact NE2-CE1 3.65Å; H461-Y525 AromaticContact NE2-CZ 3.72Å; H461-Y525 PolarHBondContact NE2-OH 3.38Å
462	K	93.5	Very high	91.8	Very high	96 Å²	96	42.7 Å²	42.7	42%	0.417	21%	0.209	S	C	.	.	I	π-helix	trans	-65.6	-43.3	-179.2	-72	176.9	178.9	176.5	0	113	E458 Q459 L466	E458-K462 WeakPolarHBondContact O-CB 2.9Å; E458-K462 WeakPolarHBondContact O-CG 2.98Å; E458-K462 PolarHBondContact O-N 3.4Å; Q459-K462 PolarHBondContact O-N 3.01Å; K462-L466 WeakPolarHBondContact O-CB 3.45Å
463	Q	92.8	Very high	92.7	Very high	56 Å²	56	44.2 Å²	44.2	26%	0.262	22%	0.215	S	C	.	.	I	π-helix	trans	-88.5	-43.5	-177	-67.1	-170.4	3.1	0	0	113.7	F439 H440 Q459 R467	F439-Q463 HydrophobicContact CD2-CB 4.27Å; F439-Q463 VanDerWaalsContact CD2-OE1 3.29Å; F439-Q463 HydrophobicContact CE2-CB 4.46Å; H440-Q463 VanDerWaalsContact N-OE1 3.1Å; H440-Q463 PolarHBondContact O-NE2 2.94Å; H440-Q463 PolarHBondContact O-OE1 2.92Å; Q459-Q463 HydrophobicContact CG-CG 3.99Å; Q459-Q463 VanDerWaalsContact O-CB 3.29Å; Q459-Q463 WeakPolarHBondContact O-CB 3.3Å; Q459-Q463 PolarHBondContact O-N 3.47Å; Q463-R467 VanDerWaalsContact O-CB 3.27Å; Q463-R467 WeakPolarHBondContact O-CB 3.29Å
464	L	93.7	Very high	93.2	Very high	11 Å²	11	48.3 Å²	48.3	6%	0.058	24%	0.236	C	C	.	.	I	π-helix	trans	-99.7	-52.2	-170.4	-55	-179.4	0	0	0	111.7	F439 I460 R467 H468 P522 Y523 L526	F439-L464 HydrophobicContact CB-CD1 4.12Å; F439-L464 HydrophobicContact CB-CD2 4.14Å; F439-L464 HydrophobicContact CB-CG 4.45Å; F439-L464 HydrophobicContact CD2-CD1 3.7Å; F439-L464 HydrophobicContact CD2-CD2 4.13Å; F439-L464 HydrophobicContact CD2-CG 3.7Å; F439-L464 HydrophobicContact CE2-CD1 4.39Å; F439-L464 HydrophobicContact CE2-CG 4.41Å; F439-L464 HydrophobicContact CG-CD1 4.02Å; F439-L464 HydrophobicContact CG-CG 4.39Å; I460-L464 HydrophobicContact CG2-CD1 4.33Å; I460-L464 WeakPolarHBondContact O-CA 3.4Å; I460-L464 VanDerWaalsContact O-CB 3.26Å; I460-L464 WeakPolarHBondContact O-CB 3.21Å; I460-L464 PolarHBondContact O-N 2.92Å; L464-R467 PolarHBondContact O-N 3.44Å; L464-H468 PolarHBondContact O-CD2 3.05Å; L464-H468 VanDerWaalsContact O-CD2 3.24Å; L464-H468 PolarHBondContact O-N 3.22Å; L464-P522 HydrophobicContact CD1-CB 3.79Å; L464-Y523 HydrophobicContact CD1-CE1 4.38Å; L464-Y523 HydrophobicContact CD2-CE1 4.3Å; L464-L526 HydrophobicContact CB-CD2 3.82Å
465	L	95.3	Very high	93.7	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	23%	0.233	C	C	.	.	I	π-helix	trans	-64.6	-48.6	-177.3	-178.5	62.8	0	0	0	111.8	I460 H461 R467 H468 N469 L472 Y473 L476 L526 L529 L530	I460-L465 PolarHBondContact O-N 2.74Å; H461-L465 WeakPolarHBondContact ND1-CD2 3.03Å; H461-L465 WeakPolarHBondContact O-CB 3.39Å; H461-L465 PolarHBondContact O-N 3.03Å; L465-R467 VanDerWaalsContact C-N 3.26Å; L465-R467 PolarHBondContact O-N 3.02Å; L465-H468 PolarHBondContact O-N 3.05Å; L465-N469 HydrophobicContact CD1-CB 4.34Å; L465-N469 CarbonylContact O-C 3.53Å; L465-N469 VanDerWaalsContact O-C 3.27Å; L465-N469 WeakPolarHBondContact O-CA 2.94Å; L465-N469 PolarHBondContact O-N 3.47Å; L465-L472 HydrophobicContact CD1-CB 4.46Å; L465-L472 HydrophobicContact CD1-CD2 3.96Å; L465-L472 HydrophobicContact CD1-CG 4.31Å; L465-Y473 HydrophobicContact CD2-CD2 4.34Å; L465-L476 HydrophobicContact CD2-CD1 4.24Å; L465-L526 HydrophobicContact CB-CD1 4.14Å; L465-L526 HydrophobicContact CD1-CD1 3.79Å; L465-L529 HydrophobicContact CD1-CD2 3.92Å; L465-L529 HydrophobicContact CD1-CG 4.41Å; L465-L529 HydrophobicContact CD2-CD2 3.68Å; L465-L529 HydrophobicContact CG-CD2 4.33Å; L465-L530 HydrophobicContact CD1-CD2 4.36Å
466	L	94.8	Very high	94.1	Very high	66 Å²	66	47.1 Å²	47.1	35%	0.346	23%	0.227	S	C	.	.	H	α-helix	trans	-56.5	-41.1	177.8	174.9	58.5	0	0	0	111.9	H461 K462 S470 Y473	H461-L466 PolarHBondContact O-N 3.47Å; K462-L466 WeakPolarHBondContact O-CB 3.45Å; L466-S470 WeakPolarHBondContact O-CA 3.01Å; L466-S470 PolarHBondContact O-N 3.06Å; L466-Y473 HydrophobicContact CB-CD1 4.14Å; L466-Y473 HydrophobicContact CB-CD2 4.02Å; L466-Y473 HydrophobicContact CB-CE1 4.43Å; L466-Y473 HydrophobicContact CB-CE2 4.34Å; L466-Y473 HydrophobicContact CB-CG 3.9Å; L466-Y473 HydrophobicContact CD1-CD1 3.56Å; L466-Y473 HydrophobicContact CD1-CE1 3.96Å; L466-Y473 HydrophobicContact CD1-CG 4.07Å; L466-Y473 HydrophobicContact CD2-CE1 4.25Å; L466-Y473 HydrophobicContact CG-CD1 4.28Å; L466-Y473 HydrophobicContact CG-CE1 4.44Å
467	R	92.9	Very high	94.3	Very high	146 Å²	146	53 Å²	53	55%	0.551	25%	0.252	S	S	*	.	H	α-helix	trans	-67.5	-42.5	178.9	-179.5	178.9	177	158.2	3.1	113	Q436 H437 Q463 L464 L465	Q436-R467 PolarHBondContact O-NH1 3.24Å; H437-R467 PolarHBondContact ND1-NH2 3.4Å; Q463-R467 VanDerWaalsContact O-CB 3.27Å; Q463-R467 WeakPolarHBondContact O-CB 3.29Å; L464-R467 PolarHBondContact O-N 3.44Å; L465-R467 VanDerWaalsContact C-N 3.26Å; L465-R467 PolarHBondContact O-N 3.02Å
468	H	92	Very high	94.4	Very high	80 Å²	80	61.3 Å²	61.3	37%	0.37	29%	0.288	S	S	.	.	H	α-helix	trans	-92	-25.5	-173.6	-75	-75.7	0	0	0	114.1	L464 L465 L526 L530 L567	L464-H468 PolarHBondContact O-CD2 3.05Å; L464-H468 VanDerWaalsContact O-CD2 3.24Å; L464-H468 PolarHBondContact O-N 3.22Å; L465-H468 PolarHBondContact O-N 3.05Å; H468-L526 HydrophobicContact CB-CD2 4.18Å; H468-L530 HydrophobicContact CB-CD1 4.4Å; H468-L567 VanDerWaalsContact CE1-CD2 3.45Å; H468-L567 WeakPolarHBondContact CE1-CD2 3.49Å; H468-L567 WeakPolarHBondContact ND1-CD2 2.97Å
469	N	93.1	Very high	94.6	Very high	35 Å²	35	59.4 Å²	59.4	19%	0.187	28%	0.28	C	S	.	.			trans	-155.9	79.2	178.5	-167.2	-28.2	0	0	0	110.4	L465 L471 L472 Y473 L530	L465-N469 HydrophobicContact CD1-CB 4.34Å; L465-N469 CarbonylContact O-C 3.53Å; L465-N469 VanDerWaalsContact O-C 3.27Å; L465-N469 WeakPolarHBondContact O-CA 2.94Å; L465-N469 PolarHBondContact O-N 3.47Å; N469-L471 PolarHBondContact O-N 3.36Å; N469-L472 HydrophobicContact CB-CB 4.24Å; N469-L472 PolarHBondContact O-N 3.33Å; N469-L472 WeakPolarHBondContact OD1-CB 3.15Å; N469-L472 PolarHBondContact OD1-N 2.97Å; N469-Y473 PolarHBondContact O-N 3.14Å; N469-Y473 VanDerWaalsContact O-N 3.08Å; N469-L530 HydrophobicContact CB-CD2 3.55Å
470	S	94.5	Very high	94.7	Very high	59 Å²	59	64.8 Å²	64.8	41%	0.413	31%	0.306	S	S	.	.	H	α-helix	trans	-59.6	-33.8	178.6	59.6	0	0	0	0	112.9	L466 Y473 N474	L466-S470 WeakPolarHBondContact O-CA 3.01Å; L466-S470 PolarHBondContact O-N 3.06Å; S470-Y473 PolarHBondContact O-N 3.29Å; S470-N474 WeakPolarHBondContact O-CB 3.45Å; S470-N474 VanDerWaalsContact O-CG 3.25Å; S470-N474 PolarHBondContact O-N 3.36Å; S470-N474 PolarHBondContact O-ND2 2.88Å
471	L	94.9	Very high	94.8	Very high	123 Å²	123	65.1 Å²	65.1	64%	0.644	31%	0.307	S	S	*	.	H	α-helix	trans	-60.5	-49.1	176	-68.5	176.4	0	0	0	111.5	N469 H475 I537	N469-L471 PolarHBondContact O-N 3.36Å; L471-H475 VanDerWaalsContact O-CB 3.28Å; L471-H475 WeakPolarHBondContact O-CB 3.42Å; L471-H475 PolarHBondContact O-N 2.82Å; L471-I537 HydrophobicContact CB-CD1 4.39Å
472	L	95.7	Very high	94.7	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-66.1	-42	177.6	179.3	60.7	0	0	0	111.6	L465 N469 H475 L476 L529 A533 L536 I537	L465-L472 HydrophobicContact CD1-CB 4.46Å; L465-L472 HydrophobicContact CD1-CD2 3.96Å; L465-L472 HydrophobicContact CD1-CG 4.31Å; N469-L472 HydrophobicContact CB-CB 4.24Å; N469-L472 PolarHBondContact O-N 3.33Å; N469-L472 WeakPolarHBondContact OD1-CB 3.15Å; N469-L472 PolarHBondContact OD1-N 2.97Å; L472-H475 PolarHBondContact O-N 3.49Å; L472-L476 HydrophobicContact CD1-CD1 4.15Å; L472-L476 HydrophobicContact CD1-CD2 4.41Å; L472-L476 HydrophobicContact CD1-CG 3.97Å; L472-L476 HydrophobicContact CG-CD1 4.19Å; L472-L476 HydrophobicContact CG-CG 4.39Å; L472-L476 WeakPolarHBondContact O-CG 3.49Å; L472-L476 PolarHBondContact O-N 3.44Å; L472-L529 HydrophobicContact CD2-CD1 4.29Å; L472-L529 HydrophobicContact CD2-CG 3.94Å; L472-A533 HydrophobicContact CD2-CB 3.63Å; L472-L536 HydrophobicContact CD1-CB 3.75Å; L472-L536 HydrophobicContact CD1-CD1 4.07Å; L472-L536 HydrophobicContact CD2-CD1 4.34Å; L472-I537 HydrophobicContact CB-CD1 4.43Å; L472-I537 HydrophobicContact CB-CG1 4.44Å; L472-I537 HydrophobicContact CD1-CG1 4.2Å
473	Y	96.7	Very high	94.7	Very high	35 Å²	35	62.4 Å²	62.4	14%	0.137	30%	0.301	C	S	.	.	H	α-helix	trans	-57.1	-51.8	176.4	175.1	-94.8	0	0	0	111.5	H461 L465 L466 N469 S470 H475 L476 K477	H461-Y473 HydrophobicContact CB-CD2 4.28Å; H461-Y473 HydrophobicContact CB-CE2 4.18Å; H461-Y473 WeakPolarHBondContact O-CD2 3.36Å; L465-Y473 HydrophobicContact CD2-CD2 4.34Å; L466-Y473 HydrophobicContact CB-CD1 4.14Å; L466-Y473 HydrophobicContact CB-CD2 4.02Å; L466-Y473 HydrophobicContact CB-CE1 4.43Å; L466-Y473 HydrophobicContact CB-CE2 4.34Å; L466-Y473 HydrophobicContact CB-CG 3.9Å; L466-Y473 HydrophobicContact CD1-CD1 3.56Å; L466-Y473 HydrophobicContact CD1-CE1 3.96Å; L466-Y473 HydrophobicContact CD1-CG 4.07Å; L466-Y473 HydrophobicContact CD2-CE1 4.25Å; L466-Y473 HydrophobicContact CG-CD1 4.28Å; L466-Y473 HydrophobicContact CG-CE1 4.44Å; N469-Y473 PolarHBondContact O-N 3.14Å; N469-Y473 VanDerWaalsContact O-N 3.08Å; S470-Y473 PolarHBondContact O-N 3.29Å; Y473-H475 VanDerWaalsContact C-N 3.31Å; Y473-H475 PolarHBondContact O-N 3.45Å; Y473-L476 PolarHBondContact O-N 3.47Å; Y473-K477 HydrophobicContact CE1-CD 4.27Å; Y473-K477 WeakPolarHBondContact O-CB 2.9Å; Y473-K477 PolarHBondContact O-N 3.4Å
474	N	96	Very high	94.7	Very high	87 Å²	87	64.2 Å²	64.2	47%	0.465	31%	0.308	S	S	.	.	H	α-helix	trans	-64.3	-36.7	179.9	-71.5	-24.5	0	0	0	111.8	S470 K477 K478	S470-N474 WeakPolarHBondContact O-CB 3.45Å; S470-N474 VanDerWaalsContact O-CG 3.25Å; S470-N474 PolarHBondContact O-N 3.36Å; S470-N474 PolarHBondContact O-ND2 2.88Å; N474-K477 PolarHBondContact O-N 3.23Å; N474-K478 VanDerWaalsContact O-CB 3.25Å; N474-K478 WeakPolarHBondContact O-CB 3.5Å; N474-K478 PolarHBondContact O-N 2.86Å
475	H	96.7	Very high	94.6	Very high	39 Å²	39	67.6 Å²	67.6	18%	0.181	33%	0.326	C	S	.	.	H	α-helix	trans	-63.9	-48.8	175.8	-172.5	65.3	0	0	0	112.2	L471 L472 Y473 K477 K478 L479 L536 Y539	L471-H475 VanDerWaalsContact O-CB 3.28Å; L471-H475 WeakPolarHBondContact O-CB 3.42Å; L471-H475 PolarHBondContact O-N 2.82Å; L472-H475 PolarHBondContact O-N 3.49Å; Y473-H475 VanDerWaalsContact C-N 3.31Å; Y473-H475 PolarHBondContact O-N 3.45Å; H475-K477 VanDerWaalsContact C-N 3.33Å; H475-K477 PolarHBondContact O-N 3Å; H475-K478 PolarHBondContact O-N 3.24Å; H475-L479 WeakPolarHBondContact NE2-CD1 3.46Å; H475-L479 WeakPolarHBondContact O-CG 3.39Å; H475-L479 PolarHBondContact O-N 3.41Å; H475-L536 PolarHBondContact CD2-O 3.29Å; H475-L536 PolarHBondContact NE2-O 3.01Å; H475-L536 VanDerWaalsContact NE2-O 3.14Å; H475-Y539 PolarHBondContact CE1-O 3.26Å; H475-Y539 PolarHBondContact NE2-O 3.48Å
476	L	95.9	Very high	94.6	Very high	3 Å²	3	67.6 Å²	67.6	2%	0.016	33%	0.326	C	S	.	.	H	α-helix	trans	-64.6	-37.5	177	-66.7	179.5	0	0	0	112.1	L465 L472 Y473 L479 E480 I481 L548	L465-L476 HydrophobicContact CD2-CD1 4.24Å; L472-L476 HydrophobicContact CD1-CD1 4.15Å; L472-L476 HydrophobicContact CD1-CD2 4.41Å; L472-L476 HydrophobicContact CD1-CG 3.97Å; L472-L476 HydrophobicContact CG-CD1 4.19Å; L472-L476 HydrophobicContact CG-CG 4.39Å; L472-L476 WeakPolarHBondContact O-CG 3.49Å; L472-L476 PolarHBondContact O-N 3.44Å; Y473-L476 PolarHBondContact O-N 3.47Å; L476-L479 CarbonylContact O-C 3.6Å; L476-L479 PolarHBondContact O-N 2.89Å; L476-E480 PolarHBondContact O-N 3.15Å; L476-I481 HydrophobicContact CD2-CB 4.38Å; L476-I481 HydrophobicContact CD2-CD1 3.99Å; L476-I481 PolarHBondContact O-N 2.77Å; L476-L548 HydrophobicContact CD2-CD1 4.23Å
477	K	95	Very high	94.5	Very high	135 Å²	135	64.4 Å²	64.4	59%	0.587	31%	0.309	S	S	*	.	H	α-helix	trans	-64.6	-44.1	174.3	-170.2	177.3	-179.2	-177.4	0	111.4	Y473 N474 H475 L479 E480	Y473-K477 HydrophobicContact CE1-CD 4.27Å; Y473-K477 WeakPolarHBondContact O-CB 2.9Å; Y473-K477 PolarHBondContact O-N 3.4Å; N474-K477 PolarHBondContact O-N 3.23Å; H475-K477 VanDerWaalsContact C-N 3.33Å; H475-K477 PolarHBondContact O-N 3Å; K477-L479 VanDerWaalsContact C-N 3.3Å; K477-L479 PolarHBondContact O-N 3.21Å; K477-E480 PolarHBondContact O-N 3.37Å
478	K	95.9	Very high	94.5	Very high	176 Å²	176	58.7 Å²	58.7	77%	0.765	29%	0.289	S	S	*	.	H	α-helix	trans	-62	-36.8	175.9	179.3	-179.1	176.4	-177.6	0	112.2	N474 H475 E480	N474-K478 VanDerWaalsContact O-CB 3.25Å; N474-K478 WeakPolarHBondContact O-CB 3.5Å; N474-K478 PolarHBondContact O-N 2.86Å; H475-K478 PolarHBondContact O-N 3.24Å; K478-E480 PolarHBondContact O-N 2.83Å
479	L	95.6	Very high	94.4	Very high	34 Å²	34	57.3 Å²	57.3	18%	0.178	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	1.3	175	-66.3	179.5	0	0	0	113.1	H475 L476 K477 I481 F541 C544	H475-L479 WeakPolarHBondContact NE2-CD1 3.46Å; H475-L479 WeakPolarHBondContact O-CG 3.39Å; H475-L479 PolarHBondContact O-N 3.41Å; L476-L479 CarbonylContact O-C 3.6Å; L476-L479 PolarHBondContact O-N 2.89Å; K477-L479 VanDerWaalsContact C-N 3.3Å; K477-L479 PolarHBondContact O-N 3.21Å; L479-I481 HydrophobicContact CB-CD1 3.89Å; L479-I481 HydrophobicContact CB-CG1 3.85Å; L479-I481 HydrophobicContact CD1-CD1 3.98Å; L479-I481 PolarHBondContact O-N 2.7Å; L479-I481 VanDerWaalsContact O-N 3.11Å; L479-F541 HydrophobicContact CD2-CB 4.46Å; L479-F541 WeakPolarHBondContact O-CD2 3.3Å; L479-C544 HydrophobicContact CD1-CB 4.41Å
480	E	95.3	Very high	94.5	Very high	169 Å²	169	55.7 Å²	55.7	79%	0.79	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	28.1	-177.6	-57.7	-179	171.7	0	0	113.6	L476 K477 K478 S482	L476-E480 PolarHBondContact O-N 3.15Å; K477-E480 PolarHBondContact O-N 3.37Å; K478-E480 PolarHBondContact O-N 2.83Å; E480-S482 PolarHBondContact O-N 2.8Å; E480-S482 VanDerWaalsContact O-N 3.1Å
481	I	94.5	Very high	94.5	Very high	7 Å²	7	52.9 Å²	52.9	4%	0.036	25%	0.254	C	S	.	.			trans	-80.7	98	179	-61.1	175.1	0	0	0	108.8	L476 L479 F486 F541 C544 L548	L476-I481 HydrophobicContact CD2-CB 4.38Å; L476-I481 HydrophobicContact CD2-CD1 3.99Å; L476-I481 PolarHBondContact O-N 2.77Å; L479-I481 HydrophobicContact CB-CD1 3.89Å; L479-I481 HydrophobicContact CB-CG1 3.85Å; L479-I481 HydrophobicContact CD1-CD1 3.98Å; L479-I481 PolarHBondContact O-N 2.7Å; L479-I481 VanDerWaalsContact O-N 3.11Å; I481-F486 HydrophobicContact CG2-CE1 4.32Å; I481-F541 HydrophobicContact CD1-CD2 4.17Å; I481-F541 HydrophobicContact CG1-CD2 3.64Å; I481-F541 HydrophobicContact CG1-CE2 3.79Å; I481-C544 HydrophobicContact CD1-CB 3.49Å; I481-C544 VanDerWaalsContact CD1-CB 3.49Å; I481-L548 HydrophobicContact CG2-CD1 4.26Å
482	S	93.3	Very high	94.3	Very high	33 Å²	33	49.7 Å²	49.7	23%	0.231	23%	0.233	C	C	.	.			trans	-64.8	131.9	176.4	-176.1	0	0	0	0	111.7	E480 K484 L485	E480-S482 PolarHBondContact O-N 2.8Å; E480-S482 VanDerWaalsContact O-N 3.1Å; S482-K484 PolarHBondContact O-N 3.14Å; S482-K484 VanDerWaalsContact O-N 3.09Å; S482-K484 WeakPolarHBondContact OG-CG 3.12Å; S482-L485 WeakPolarHBondContact O-CB 3.27Å; S482-L485 WeakPolarHBondContact O-CG 3.23Å; S482-L485 PolarHBondContact O-N 2.91Å; S482-L485 VanDerWaalsContact O-N 3.12Å
483	P	94.1	Very high	94.2	Very high	15 Å²	15	50.3 Å²	50.3	10%	0.097	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-31.1	179.9	-28.9	36.4	0	0	0	114.3	L457 H461 L485 G487	L457-P483 HydrophobicContact CB-CB 3.93Å; H461-P483 HydrophobicContact CB-CG 4.27Å; P483-L485 PolarHBondContact O-N 3.33Å; P483-G487 WeakPolarHBondContact O-CA 3.34Å; P483-G487 PolarHBondContact O-N 2.72Å
484	K	92	Very high	94.1	Very high	95 Å²	95	48.7 Å²	48.7	41%	0.413	23%	0.23	S	C	.	.	H	α-helix	trans	-64	-26.7	-178.1	73.1	-165.7	175.8	-175.5	0	113.5	D454 S482 F486 L488	D454-K484 VanDerWaalsContact OD1-CB 3.29Å; D454-K484 WeakPolarHBondContact OD1-CB 3.21Å; S482-K484 PolarHBondContact O-N 3.14Å; S482-K484 VanDerWaalsContact O-N 3.09Å; S482-K484 WeakPolarHBondContact OG-CG 3.12Å; K484-F486 VanDerWaalsContact C-N 3.31Å; K484-F486 PolarHBondContact O-N 3.2Å; K484-L488 HydrophobicContact CB-CD1 4.05Å; K484-L488 HydrophobicContact CB-CG 4.09Å
485	L	93	Very high	94.1	Very high	82 Å²	82	44.6 Å²	44.6	43%	0.429	21%	0.208	S	C	.	.	H	α-helix	trans	-59.1	-41.4	-176.7	-67.1	175.7	0	0	0	112.1	S482 P483 L545	S482-L485 WeakPolarHBondContact O-CB 3.27Å; S482-L485 WeakPolarHBondContact O-CG 3.23Å; S482-L485 PolarHBondContact O-N 2.91Å; S482-L485 VanDerWaalsContact O-N 3.12Å; P483-L485 PolarHBondContact O-N 3.33Å; L485-L545 HydrophobicContact CB-CD1 4.12Å; L485-L545 HydrophobicContact CD1-CD1 4.1Å
486	F	94.1	Very high	94	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-115	-35.5	-179.3	67.4	-84.4	0	0	0	112.8	I481 K484 L488 K489 W490 Y525 L529 L548 M549	I481-F486 HydrophobicContact CG2-CE1 4.32Å; K484-F486 VanDerWaalsContact C-N 3.31Å; K484-F486 PolarHBondContact O-N 3.2Å; F486-L488 PolarHBondContact O-N 2.93Å; F486-K489 PolarHBondContact O-N 3.18Å; F486-W490 HydrophobicContact CD2-CD2 4.3Å; F486-W490 HydrophobicContact CD2-CE3 4.38Å; F486-W490 HydrophobicContact CD2-CH2 4.07Å; F486-W490 AromaticContact CD2-CZ2 3.99Å; F486-W490 HydrophobicContact CD2-CZ2 3.99Å; F486-W490 HydrophobicContact CD2-CZ3 4.26Å; F486-W490 HydrophobicContact CE2-CE3 4.47Å; F486-W490 HydrophobicContact CE2-CH2 4.17Å; F486-W490 HydrophobicContact CE2-CZ3 4.13Å; F486-Y525 HydrophobicContact CE2-CE2 4.19Å; F486-Y525 AromaticContact CE2-CZ 3.87Å; F486-Y525 WeakPolarHBondContact CE2-OH 2.93Å; F486-Y525 WeakPolarHBondContact CZ-OH 3.32Å; F486-L529 HydrophobicContact CE2-CD1 4.46Å; F486-L529 HydrophobicContact CZ-CD1 4.47Å; F486-L548 HydrophobicContact CB-CB 3.99Å; F486-L548 HydrophobicContact CD1-CB 4.07Å; F486-L548 HydrophobicContact CD1-CD1 3.97Å; F486-L548 HydrophobicContact CD1-CG 4.49Å; F486-L548 HydrophobicContact CD2-CB 4.03Å; F486-L548 HydrophobicContact CD2-CD2 4.11Å; F486-L548 HydrophobicContact CE1-CD1 3.8Å; F486-L548 HydrophobicContact CE2-CD2 3.86Å; F486-L548 HydrophobicContact CG-CB 3.76Å; F486-L548 HydrophobicContact CG-CD1 4.44Å; F486-L548 HydrophobicContact CG-CG 4.47Å; F486-L548 HydrophobicContact CZ-CD1 4.1Å; F486-L548 HydrophobicContact CZ-CD2 4.09Å; F486-M549 VanDerWaalsContact CA-SD 3.54Å; F486-M549 HydrophobicContact CB-CG 4.44Å; F486-M549 HydrophobicContact CB-SD 3.6Å; F486-M549 VanDerWaalsContact CB-SD 3.6Å
487	G	94.3	Very high	93.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-72.4	-30.3	-169.1	0	0	0	0	0	114	L457 P483 K489 W490 I491	L457-G487 VanDerWaalsContact CD1-C 3.47Å; P483-G487 WeakPolarHBondContact O-CA 3.34Å; P483-G487 PolarHBondContact O-N 2.72Å; G487-K489 VanDerWaalsContact C-N 3.29Å; G487-K489 PolarHBondContact O-N 2.96Å; G487-W490 PolarHBondContact O-N 3.46Å; G487-W490 VanDerWaalsContact O-N 3.12Å; G487-I491 WeakPolarHBondContact O-CG1 3.36Å; G487-I491 PolarHBondContact O-N 3.42Å
488	L	91.3	Very high	93.6	Very high	25 Å²	25	42.6 Å²	42.6	13%	0.131	20%	0.202	C	C	.	.	H	α-helix	trans	-59.1	-43.3	177.9	-82.5	179.9	0	0	0	111.2	D454 L457 K484 F486 W490 R492	D454-L488 VanDerWaalsContact OD1-CD1 3.23Å; D454-L488 WeakPolarHBondContact OD1-CD1 3.31Å; D454-L488 WeakPolarHBondContact OD1-CD2 3.22Å; D454-L488 WeakPolarHBondContact OD1-CG 3.29Å; L457-L488 HydrophobicContact CD1-CB 4.28Å; L457-L488 HydrophobicContact CD1-CD2 3.77Å; L457-L488 HydrophobicContact CD1-CG 3.78Å; L457-L488 VanDerWaalsContact CD1-N 3.28Å; K484-L488 HydrophobicContact CB-CD1 4.05Å; K484-L488 HydrophobicContact CB-CG 4.09Å; F486-L488 PolarHBondContact O-N 2.93Å; L488-W490 VanDerWaalsContact C-N 3.33Å; L488-W490 PolarHBondContact O-N 3.43Å; L488-R492 WeakPolarHBondContact O-CB 3.45Å; L488-R492 VanDerWaalsContact O-CG 3.24Å; L488-R492 WeakPolarHBondContact O-CG 3.28Å; L488-R492 PolarHBondContact O-N 3.22Å
489	K	91.4	Very high	93.6	Very high	52 Å²	52	34.9 Å²	34.9	23%	0.226	17%	0.169	C	C	.	.	H	α-helix	trans	-61.3	-43.3	177.1	178.9	-178.9	54	141.5	0	111	F486 G487 L493 H497 E498 M549	F486-K489 PolarHBondContact O-N 3.18Å; G487-K489 VanDerWaalsContact C-N 3.29Å; G487-K489 PolarHBondContact O-N 2.96Å; K489-L493 HydrophobicContact CG-CD1 4.03Å; K489-L493 WeakPolarHBondContact O-CB 3.3Å; K489-L493 WeakPolarHBondContact O-CG 3.44Å; K489-L493 PolarHBondContact O-N 3.04Å; K489-H497 HydrophobicContact CD-CB 4.38Å; K489-H497 HydrophobicContact CG-CB 4.46Å; K489-E498 WeakPolarHBondContact CE-OE1 3.38Å; K489-E498 IonicContact NZ-OE1 2.93Å; K489-E498 PolarHBondContact NZ-OE1 2.95Å; K489-E498 IonicContact NZ-OE2 3.86Å; K489-M549 PolarHBondContact NZ-O 2.9Å
490	W	95.2	Very high	93.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.7	-48	-179	-65.1	5.2	0	0	0	111.7	F486 G487 L488 L494 F495 E498 Y525 M528 L548 Y551	F486-W490 HydrophobicContact CD2-CD2 4.3Å; F486-W490 HydrophobicContact CD2-CE3 4.38Å; F486-W490 HydrophobicContact CD2-CH2 4.07Å; F486-W490 AromaticContact CD2-CZ2 3.99Å; F486-W490 HydrophobicContact CD2-CZ2 3.99Å; F486-W490 HydrophobicContact CD2-CZ3 4.26Å; F486-W490 HydrophobicContact CE2-CE3 4.47Å; F486-W490 HydrophobicContact CE2-CH2 4.17Å; F486-W490 HydrophobicContact CE2-CZ3 4.13Å; G487-W490 PolarHBondContact O-N 3.46Å; G487-W490 VanDerWaalsContact O-N 3.12Å; L488-W490 VanDerWaalsContact C-N 3.33Å; L488-W490 PolarHBondContact O-N 3.43Å; W490-L494 PolarHBondContact O-N 3.42Å; W490-F495 HydrophobicContact CB-CD1 4.08Å; W490-F495 HydrophobicContact CB-CE1 4.22Å; W490-F495 PolarHBondContact O-N 2.93Å; W490-E498 VanDerWaalsContact CD1-OE1 3.31Å; W490-E498 HydrophobicContact CG-CG 4.17Å; W490-E498 VanDerWaalsContact NE1-CD 3.33Å; W490-E498 PolarHBondContact NE1-OE1 3.38Å; W490-Y525 HydrophobicContact CB-CD2 4.36Å; W490-Y525 HydrophobicContact CD2-CE2 4.37Å; W490-Y525 AromaticContact CE3-CD2 3.64Å; W490-Y525 HydrophobicContact CE3-CD2 3.64Å; W490-Y525 AromaticContact CE3-CE2 3.58Å; W490-Y525 HydrophobicContact CE3-CE2 3.58Å; W490-Y525 HydrophobicContact CZ3-CD2 4.37Å; W490-Y525 HydrophobicContact CZ3-CE2 4.17Å; W490-M528 HydrophobicContact CD2-CE 4.1Å; W490-M528 HydrophobicContact CE3-CE 3.96Å; W490-M528 HydrophobicContact CE3-SD 4.44Å; W490-M528 HydrophobicContact CH2-CE 4.31Å; W490-M528 HydrophobicContact CZ2-CE 4.4Å; W490-M528 HydrophobicContact CZ3-CB 3.97Å; W490-M528 HydrophobicContact CZ3-CE 4.08Å; W490-L548 HydrophobicContact CH2-CD2 4.3Å; W490-L548 VanDerWaalsContact CZ2-O 3.23Å; W490-L548 WeakPolarHBondContact CZ2-O 3.16Å; W490-Y551 AromaticContact CH2-CD2 3.69Å; W490-Y551 HydrophobicContact CH2-CD2 3.69Å; W490-Y551 HydrophobicContact CH2-CE2 4.03Å; W490-Y551 AromaticContact CZ2-CD2 3.63Å; W490-Y551 HydrophobicContact CZ2-CD2 3.63Å; W490-Y551 HydrophobicContact CZ2-CE2 4.42Å; W490-Y551 HydrophobicContact CZ2-CG 4.37Å
491	I	93.9	Very high	93.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-78.1	-40.9	-175.6	66.6	170.9	0	0	0	112.9	W325 F456 L457 G487 L493 L494 V521 Y525	W325-I491 HydrophobicContact CD2-CD1 4.4Å; W325-I491 HydrophobicContact CE3-CB 4.36Å; W325-I491 HydrophobicContact CE3-CG1 4.45Å; W325-I491 HydrophobicContact CG-CD1 4.49Å; W325-I491 HydrophobicContact CZ3-CB 4.35Å; F456-I491 HydrophobicContact CD1-CD1 3.72Å; F456-I491 HydrophobicContact CE1-CD1 4.25Å; L457-I491 HydrophobicContact CD1-CD1 4.09Å; L457-I491 HydrophobicContact CD2-CD1 3.79Å; L457-I491 HydrophobicContact CD2-CG1 4.31Å; L457-I491 HydrophobicContact CD2-CG2 3.92Å; L457-I491 HydrophobicContact CG-CD1 3.73Å; G487-I491 WeakPolarHBondContact O-CG1 3.36Å; G487-I491 PolarHBondContact O-N 3.42Å; I491-L493 PolarHBondContact O-N 3.3Å; I491-L494 PolarHBondContact O-N 2.95Å; I491-L494 VanDerWaalsContact O-N 3.15Å; I491-V521 HydrophobicContact CB-CG1 4.48Å; I491-V521 HydrophobicContact CG2-CG1 4.2Å; I491-Y525 HydrophobicContact CG2-CD2 4.01Å
492	R	91	Very high	93	Very high	56 Å²	56	32.7 Å²	32.7	21%	0.211	17%	0.165	C	C	.	.	H	α-helix	trans	-65.3	-30.4	-177.6	-74.9	177.8	172.7	159.8	4.8	112.2	W325 Y326 L488	W325-R492 HydrophobicContact CB-CG 4.28Å; W325-R492 PolarHBondContact O-NE 3.25Å; W325-R492 PolarHBondContact O-NH2 3.18Å; Y326-R492 HydrophobicContact CE1-CB 4.38Å; Y326-R492 PolarHBondContact OH-O 2.7Å; L488-R492 WeakPolarHBondContact O-CB 3.45Å; L488-R492 VanDerWaalsContact O-CG 3.24Å; L488-R492 WeakPolarHBondContact O-CG 3.28Å; L488-R492 PolarHBondContact O-N 3.22Å
493	L	93.5	Very high	93	Very high	14 Å²	14	33.4 Å²	33.4	7%	0.073	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	8.3	179.8	-53.3	-179.2	0	0	0	112.7	E265 K489 I491 F495 G496 H497	E265-L493 HydrophobicContact CB-CD2 4.24Å; K489-L493 HydrophobicContact CG-CD1 4.03Å; K489-L493 WeakPolarHBondContact O-CB 3.3Å; K489-L493 WeakPolarHBondContact O-CG 3.44Å; K489-L493 PolarHBondContact O-N 3.04Å; I491-L493 PolarHBondContact O-N 3.3Å; L493-F495 PolarHBondContact O-N 3.45Å; L493-F495 VanDerWaalsContact O-N 3.16Å; L493-G496 PolarHBondContact O-N 2.97Å; L493-H497 HydrophobicContact CD1-CB 3.89Å
494	L	95.1	Very high	93	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.3	47.3	-174.5	-61.5	177.9	0	0	0	112.2	I266 I318 V322 W325 W490 I491 G496 L504 W508 L518 V521	I266-L494 HydrophobicContact CD1-CB 4.17Å; I266-L494 HydrophobicContact CD1-CD1 4.1Å; I266-L494 HydrophobicContact CD1-CG 3.97Å; I318-L494 HydrophobicContact CG2-CD1 3.89Å; V322-L494 HydrophobicContact CG1-CD1 4.5Å; V322-L494 HydrophobicContact CG1-CD2 4.15Å; V322-L494 HydrophobicContact CG1-CG 4.49Å; W325-L494 HydrophobicContact CZ3-CD2 4.22Å; W490-L494 PolarHBondContact O-N 3.42Å; I491-L494 PolarHBondContact O-N 2.95Å; I491-L494 VanDerWaalsContact O-N 3.15Å; L494-G496 PolarHBondContact O-N 3.45Å; L494-L504 VanDerWaalsContact O-CD1 3.29Å; L494-L504 WeakPolarHBondContact O-CD1 3.49Å; L494-W508 HydrophobicContact CB-CZ2 4.06Å; L494-W508 HydrophobicContact CD1-CZ2 4.32Å; L494-W508 PolarHBondContact O-NE1 3.06Å; L494-L518 HydrophobicContact CD2-CD1 4.24Å; L494-V521 HydrophobicContact CD2-CG2 3.88Å
495	F	95.7	Very high	93.2	Very high	1 Å²	1	28.3 Å²	28.3	0%	0.004	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	9.7	-179.1	-41.4	-74.9	0	0	0	115.8	W490 L493 H497 E498 F499 I507 I511 V521 M524 M528	W490-F495 HydrophobicContact CB-CD1 4.08Å; W490-F495 HydrophobicContact CB-CE1 4.22Å; W490-F495 PolarHBondContact O-N 2.93Å; L493-F495 PolarHBondContact O-N 3.45Å; L493-F495 VanDerWaalsContact O-N 3.16Å; F495-H497 PolarHBondContact O-N 2.86Å; F495-H497 VanDerWaalsContact O-N 3.15Å; F495-E498 PolarHBondContact O-N 3.19Å; F495-F499 HydrophobicContact CB-CD2 3.81Å; F495-F499 HydrophobicContact CB-CE2 3.97Å; F495-F499 PolarHBondContact O-N 3.38Å; F495-I507 HydrophobicContact CD2-CG2 3.93Å; F495-I511 HydrophobicContact CD2-CD1 4.14Å; F495-I511 HydrophobicContact CE2-CD1 3.98Å; F495-V521 HydrophobicContact CE2-CG1 4.25Å; F495-V521 HydrophobicContact CZ-CG1 4.01Å; F495-M524 HydrophobicContact CD2-CG 4.08Å; F495-M524 HydrophobicContact CE1-CG 4.41Å; F495-M524 HydrophobicContact CE2-CB 3.84Å; F495-M524 HydrophobicContact CE2-CG 3.55Å; F495-M524 HydrophobicContact CZ-CB 3.82Å; F495-M524 HydrophobicContact CZ-CG 3.73Å; F495-M528 HydrophobicContact CD1-CE 4.25Å; F495-M528 HydrophobicContact CD1-SD 3.44Å; F495-M528 WeakPolarHBondContact CD1-SD 3.49Å; F495-M528 HydrophobicContact CE1-SD 3.72Å; F495-M528 HydrophobicContact CG-SD 4.2Å
496	G	93	Very high	93.3	Very high	6 Å²	6	24.4 Å²	24.4	6%	0.062	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-25.9	-174.7	0	0	0	0	0	115.9	L493 L494 L504	L493-G496 PolarHBondContact O-N 2.97Å; L494-G496 PolarHBondContact O-N 3.45Å; G496-L504 VanDerWaalsContact CA-CD1 3.5Å
497	H	91.2	Very high	93.4	Very high	111 Å²	111	24.4 Å²	24.4	51%	0.514	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-22.6	177.3	-168.4	-78.5	0	0	0	113.3	K489 L493 F495	K489-H497 HydrophobicContact CD-CB 4.38Å; K489-H497 HydrophobicContact CG-CB 4.46Å; L493-H497 HydrophobicContact CD1-CB 3.89Å; F495-H497 PolarHBondContact O-N 2.86Å; F495-H497 VanDerWaalsContact O-N 3.15Å
498	E	93.3	Very high	93.5	Very high	19 Å²	19	24.4 Å²	24.4	9%	0.089	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-24.2	-173.7	-52.7	-47.5	139.4	0	0	112.8	K489 W490 F495 M528 Y551	K489-E498 WeakPolarHBondContact CE-OE1 3.38Å; K489-E498 IonicContact NZ-OE1 2.93Å; K489-E498 PolarHBondContact NZ-OE1 2.95Å; K489-E498 IonicContact NZ-OE2 3.86Å; W490-E498 VanDerWaalsContact CD1-OE1 3.31Å; W490-E498 HydrophobicContact CG-CG 4.17Å; W490-E498 VanDerWaalsContact NE1-CD 3.33Å; W490-E498 PolarHBondContact NE1-OE1 3.38Å; F495-E498 PolarHBondContact O-N 3.19Å; E498-M528 HydrophobicContact CB-CE 4.12Å; E498-M528 HydrophobicContact CG-CE 4.2Å; E498-Y551 HydrophobicContact CB-CD1 4.44Å; E498-Y551 HydrophobicContact CB-CG 4.48Å; E498-Y551 WeakPolarHBondContact OE2-CB 3.42Å; E498-Y551 PolarHBondContact OE2-N 3.08Å
499	F	94	Very high	93.7	Very high	14 Å²	14	23.2 Å²	23.2	6%	0.061	12%	0.116	C	C	.	.	S	Bend	trans	-120	145	-177.1	-62.2	-79.2	0	0	0	112.4	F495 D503 L504 I507 M524 M528 Y551 V557 L560	F495-F499 HydrophobicContact CB-CD2 3.81Å; F495-F499 HydrophobicContact CB-CE2 3.97Å; F495-F499 PolarHBondContact O-N 3.38Å; F499-D503 HydrophobicContact CB-CB 4.13Å; F499-L504 HydrophobicContact CB-CB 4.48Å; F499-I507 HydrophobicContact CB-CD1 4.24Å; F499-I507 HydrophobicContact CD1-CD1 4.13Å; F499-I507 HydrophobicContact CD2-CD1 3.33Å; F499-I507 HydrophobicContact CE1-CD1 4.36Å; F499-I507 HydrophobicContact CE2-CD1 3.6Å; F499-I507 HydrophobicContact CG-CD1 3.63Å; F499-I507 HydrophobicContact CZ-CD1 4.12Å; F499-M524 HydrophobicContact CE2-CE 4.5Å; F499-M524 HydrophobicContact CZ-CE 4.48Å; F499-M528 HydrophobicContact CE2-CE 3.62Å; F499-M528 HydrophobicContact CE2-SD 3.64Å; F499-M528 HydrophobicContact CZ-CE 3.83Å; F499-M528 HydrophobicContact CZ-CG 4.27Å; F499-M528 HydrophobicContact CZ-SD 3.94Å; F499-Y551 HydrophobicContact CE1-CD1 4.49Å; F499-Y551 HydrophobicContact CE1-CE1 4.07Å; F499-Y551 HydrophobicContact CZ-CD1 4.26Å; F499-Y551 AromaticContact CZ-CE1 3.78Å; F499-Y551 HydrophobicContact CZ-CE1 3.78Å; F499-V557 HydrophobicContact CD1-CG2 3.62Å; F499-V557 HydrophobicContact CE1-CG2 3.68Å; F499-L560 HydrophobicContact CE1-CD1 3.8Å; F499-L560 HydrophobicContact CZ-CD1 3.55Å
500	P	91.8	Very high	93.9	Very high	83 Å²	83	20.8 Å²	20.8	54%	0.539	11%	0.105	S	C	.	.			trans	-63.5	154.5	170.7	30.1	-35.2	0	0	0	110.5	Q502 D503 L504	P500-Q502 VanDerWaalsContact C-N 3.28Å; P500-Q502 PolarHBondContact O-N 3.43Å; P500-D503 HydrophobicContact CG-CB 4.01Å; P500-D503 VanDerWaalsContact CG-OD2 3.24Å; P500-D503 WeakPolarHBondContact CG-OD2 3.44Å; P500-D503 PolarHBondContact O-N 3.22Å; P500-L504 PolarHBondContact O-N 3.11Å
501	L	90.9	Very high	93.9	Very high	12 Å²	12	20.8 Å²	20.8	6%	0.063	11%	0.105	C	C	.	.	H	α-helix	trans	-48.8	-44.1	-171.2	-176.2	60.9	0	0	0	113.7	F229 V232 P269 F272 D503 L504 L505	F229-L501 HydrophobicContact CE1-CD1 4.38Å; F229-L501 HydrophobicContact CZ-CD1 4.38Å; V232-L501 HydrophobicContact CG1-CD2 4.38Å; V232-L501 HydrophobicContact CG2-CD2 4.17Å; P269-L501 HydrophobicContact CB-CD1 4.09Å; P269-L501 HydrophobicContact CG-CD1 4.13Å; F272-L501 HydrophobicContact CD1-CD2 3.95Å; F272-L501 HydrophobicContact CE1-CD2 3.98Å; F272-L501 HydrophobicContact CG-CD2 4.28Å; F272-L501 HydrophobicContact CZ-CD2 4.34Å; L501-D503 PolarHBondContact O-N 2.96Å; L501-L504 HydrophobicContact CD1-CD2 4.32Å; L501-L504 WeakPolarHBondContact O-CB 3.35Å; L501-L504 PolarHBondContact O-N 2.73Å; L501-L505 HydrophobicContact CD1-CD2 4.32Å; L501-L505 HydrophobicContact CD1-CG 4.33Å; L501-L505 HydrophobicContact CG-CG 4.45Å; L501-L505 VanDerWaalsContact O-CG 3.24Å; L501-L505 WeakPolarHBondContact O-CG 3.33Å; L501-L505 PolarHBondContact O-N 2.93Å
502	Q	90.3	Very high	93.9	Very high	69 Å²	69	20.9 Å²	20.9	32%	0.322	11%	0.106	S	C	.	.	H	α-helix	trans	-65.7	-38.3	-178.7	-72.3	-62.8	-27.3	0	0	113.9	Y83 P500 Y506	Y83-Q502 PolarHBondContact OH-NE2 3.48Å; P500-Q502 VanDerWaalsContact C-N 3.28Å; P500-Q502 PolarHBondContact O-N 3.43Å; Q502-Y506 PolarHBondContact O-N 3.07Å
503	D	93.8	Very high	94	Very high	48 Å²	48	18.3 Å²	18.3	26%	0.257	10%	0.096	S	C	.	.	H	α-helix	trans	-72.5	-38.2	175.5	-71.9	-22.5	0	0	0	110.6	F499 P500 L501 L505 Y506 I507 V557	F499-D503 HydrophobicContact CB-CB 4.13Å; P500-D503 HydrophobicContact CG-CB 4.01Å; P500-D503 VanDerWaalsContact CG-OD2 3.24Å; P500-D503 WeakPolarHBondContact CG-OD2 3.44Å; P500-D503 PolarHBondContact O-N 3.22Å; L501-D503 PolarHBondContact O-N 2.96Å; D503-L505 PolarHBondContact O-N 3.27Å; D503-Y506 WeakPolarHBondContact O-CB 3.47Å; D503-Y506 PolarHBondContact O-N 3.12Å; D503-I507 WeakPolarHBondContact O-CG1 3.18Å; D503-I507 PolarHBondContact O-N 3.18Å; D503-V557 HydrophobicContact CB-CG2 3.8Å
504	L	95.2	Very high	93.8	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-57.7	-46.1	172.9	178.9	65.2	0	0	0	111.7	F229 P269 L494 G496 F499 P500 L501 Y506 I507 W508	F229-L504 HydrophobicContact CZ-CD2 4.23Å; P269-L504 HydrophobicContact CG-CD2 3.99Å; L494-L504 VanDerWaalsContact O-CD1 3.29Å; L494-L504 WeakPolarHBondContact O-CD1 3.49Å; G496-L504 VanDerWaalsContact CA-CD1 3.5Å; F499-L504 HydrophobicContact CB-CB 4.48Å; P500-L504 PolarHBondContact O-N 3.11Å; L501-L504 HydrophobicContact CD1-CD2 4.32Å; L501-L504 WeakPolarHBondContact O-CB 3.35Å; L501-L504 PolarHBondContact O-N 2.73Å; L504-Y506 VanDerWaalsContact C-N 3.26Å; L504-Y506 PolarHBondContact O-N 3.02Å; L504-I507 WeakPolarHBondContact O-CB 3.04Å; L504-I507 PolarHBondContact O-N 3.44Å; L504-I507 VanDerWaalsContact O-N 3.15Å; L504-W508 VanDerWaalsContact CD1-NE1 3.3Å; L504-W508 PolarHBondContact O-N 3.21Å
505	L	95.2	Very high	93.2	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.01	11%	0.11	C	C	.	.	H	α-helix	trans	-59.7	-37.6	177.9	-68	-177.2	0	0	0	111.7	W152 P269 F272 V273 L501 D503 W508 D509	W152-L505 HydrophobicContact CH2-CD2 3.49Å; W152-L505 VanDerWaalsContact CH2-CD2 3.49Å; W152-L505 HydrophobicContact CZ2-CD2 4.02Å; W152-L505 HydrophobicContact CZ3-CD2 4.49Å; P269-L505 HydrophobicContact CB-CD2 4.03Å; F272-L505 HydrophobicContact CE1-CD1 4.49Å; V273-L505 HydrophobicContact CG2-CD1 3.96Å; V273-L505 HydrophobicContact CG2-CD2 3.5Å; V273-L505 VanDerWaalsContact CG2-CD2 3.5Å; V273-L505 HydrophobicContact CG2-CG 4.36Å; L501-L505 HydrophobicContact CD1-CD2 4.32Å; L501-L505 HydrophobicContact CD1-CG 4.33Å; L501-L505 HydrophobicContact CG-CG 4.45Å; L501-L505 VanDerWaalsContact O-CG 3.24Å; L501-L505 WeakPolarHBondContact O-CG 3.33Å; L501-L505 PolarHBondContact O-N 2.93Å; D503-L505 PolarHBondContact O-N 3.27Å; L505-W508 PolarHBondContact O-N 3.15Å; L505-D509 PolarHBondContact O-N 3.3Å
506	Y	95.4	Very high	92.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-69.1	-40	175.1	170.9	-122.5	0	0	0	112.9	A137 I138 Q502 D503 L504 W508 D509 C510 V557 V561	A137-Y506 WeakPolarHBondContact O-CE2 3.29Å; I138-Y506 WeakPolarHBondContact O-CE2 3.15Å; I138-Y506 PolarHBondContact O-OH 3.37Å; Q502-Y506 PolarHBondContact O-N 3.07Å; D503-Y506 WeakPolarHBondContact O-CB 3.47Å; D503-Y506 PolarHBondContact O-N 3.12Å; L504-Y506 VanDerWaalsContact C-N 3.26Å; L504-Y506 PolarHBondContact O-N 3.02Å; Y506-W508 VanDerWaalsContact C-N 3.25Å; Y506-W508 PolarHBondContact O-N 3.44Å; Y506-D509 WeakPolarHBondContact O-CB 3.3Å; Y506-D509 PolarHBondContact O-N 2.67Å; Y506-C510 VanDerWaalsContact CE2-SG 3.59Å; Y506-C510 PolarHBondContact O-N 2.79Å; Y506-C510 PolarHBondContact O-SG 3.14Å; Y506-V557 HydrophobicContact CD1-CB 4.48Å; Y506-V557 HydrophobicContact CD1-CG1 3.79Å; Y506-V557 HydrophobicContact CE1-CG1 4.2Å; Y506-V561 HydrophobicContact CD1-CG2 4.28Å; Y506-V561 HydrophobicContact CE1-CB 4.22Å; Y506-V561 HydrophobicContact CE1-CG2 3.7Å
507	I	96.3	Very high	91.9	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-59.7	-42.8	172.8	-66.6	165.7	0	0	0	109.6	F495 F499 D503 L504 C510 I511 M524 V557	F495-I507 HydrophobicContact CD2-CG2 3.93Å; F499-I507 HydrophobicContact CB-CD1 4.24Å; F499-I507 HydrophobicContact CD1-CD1 4.13Å; F499-I507 HydrophobicContact CD2-CD1 3.33Å; F499-I507 HydrophobicContact CE1-CD1 4.36Å; F499-I507 HydrophobicContact CE2-CD1 3.6Å; F499-I507 HydrophobicContact CG-CD1 3.63Å; F499-I507 HydrophobicContact CZ-CD1 4.12Å; D503-I507 WeakPolarHBondContact O-CG1 3.18Å; D503-I507 PolarHBondContact O-N 3.18Å; L504-I507 WeakPolarHBondContact O-CB 3.04Å; L504-I507 PolarHBondContact O-N 3.44Å; L504-I507 VanDerWaalsContact O-N 3.15Å; I507-C510 PolarHBondContact O-N 3.28Å; I507-I511 HydrophobicContact CG2-CD1 3.6Å; I507-I511 HydrophobicContact CG2-CG1 4.22Å; I507-I511 VanDerWaalsContact O-CG1 3.31Å; I507-I511 WeakPolarHBondContact O-CG1 3.3Å; I507-I511 PolarHBondContact O-N 3.23Å; I507-M524 HydrophobicContact CD1-CE 3.8Å; I507-M524 HydrophobicContact CG1-CE 3.87Å; I507-M524 HydrophobicContact CG2-CE 4.24Å; I507-M524 HydrophobicContact CG2-CG 4.3Å; I507-V557 HydrophobicContact CD1-CG1 3.71Å; I507-V557 HydrophobicContact CG1-CG1 3.44Å; I507-V557 VanDerWaalsContact CG1-CG1 3.44Å
508	W	96.8	Very high	91.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-68.2	-38.4	178.2	-76.1	24.9	0	0	0	113.1	W152 I266 P269 L270 L494 L504 L505 Y506 C510 I511 F512	W152-W508 HydrophobicContact CH2-CB 4.04Å; W152-W508 HydrophobicContact CH2-CD2 4.36Å; W152-W508 AromaticContact CH2-CE3 3.56Å; W152-W508 HydrophobicContact CH2-CE3 3.56Å; W152-W508 HydrophobicContact CH2-CZ3 4.37Å; W152-W508 HydrophobicContact CZ2-CB 3.78Å; W152-W508 HydrophobicContact CZ2-CE3 4.41Å; W152-W508 AromaticContact CZ3-CE3 3.8Å; W152-W508 HydrophobicContact CZ3-CE3 3.8Å; W152-W508 HydrophobicContact CZ3-CZ3 4.29Å; I266-W508 HydrophobicContact CD1-CZ2 4.26Å; I266-W508 WeakPolarHBondContact O-CH2 3.23Å; P269-W508 HydrophobicContact CB-CE3 4.18Å; P269-W508 HydrophobicContact CB-CH2 3.87Å; P269-W508 HydrophobicContact CB-CZ3 3.62Å; P269-W508 HydrophobicContact CG-CH2 3.67Å; P269-W508 HydrophobicContact CG-CZ2 4.22Å; P269-W508 HydrophobicContact CG-CZ3 3.99Å; L270-W508 HydrophobicContact CD2-CE3 4.37Å; L270-W508 HydrophobicContact CD2-CZ3 3.86Å; L270-W508 HydrophobicContact CG-CZ3 4.03Å; L494-W508 HydrophobicContact CB-CZ2 4.06Å; L494-W508 HydrophobicContact CD1-CZ2 4.32Å; L494-W508 PolarHBondContact O-NE1 3.06Å; L504-W508 VanDerWaalsContact CD1-NE1 3.3Å; L504-W508 PolarHBondContact O-N 3.21Å; L505-W508 PolarHBondContact O-N 3.15Å; Y506-W508 VanDerWaalsContact C-N 3.25Å; Y506-W508 PolarHBondContact O-N 3.44Å; W508-C510 PolarHBondContact O-N 3.35Å; W508-I511 PolarHBondContact O-N 3.17Å; W508-F512 HydrophobicContact CB-CD2 4.4Å; W508-F512 HydrophobicContact CB-CE2 3.93Å; W508-F512 HydrophobicContact CB-CZ 4.21Å; W508-F512 HydrophobicContact CD2-CE2 4.31Å; W508-F512 AromaticContact CD2-CZ 4Å; W508-F512 HydrophobicContact CD2-CZ 4Å; W508-F512 AromaticContact CE3-CE2 3.84Å; W508-F512 HydrophobicContact CE3-CE2 3.84Å; W508-F512 AromaticContact CE3-CZ 3.69Å; W508-F512 HydrophobicContact CE3-CZ 3.69Å; W508-F512 HydrophobicContact CG-CE2 4.39Å; W508-F512 HydrophobicContact CG-CZ 4.24Å; W508-F512 HydrophobicContact CZ3-CZ 4.39Å; W508-F512 WeakPolarHBondContact O-CB 3.33Å; W508-F512 VanDerWaalsContact O-CD2 3.29Å; W508-F512 WeakPolarHBondContact O-CD2 3.25Å; W508-F512 VanDerWaalsContact O-CG 3.26Å; W508-F512 WeakPolarHBondContact O-CG 3.5Å; W508-F512 PolarHBondContact O-N 2.56Å
509	D	95	Very high	91.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-50.7	-48	170.5	-68.2	-30.5	0	0	0	110	A137 L142 R148 W152 L505 Y506 A513	A137-D509 HydrophobicContact CB-CB 4.14Å; L142-D509 WeakPolarHBondContact CB-OD2 3.17Å; L142-D509 HydrophobicContact CD1-CB 4.08Å; R148-D509 WeakPolarHBondContact CD-OD1 3.44Å; R148-D509 IonicContact CZ-OD1 2.93Å; R148-D509 IonicContact CZ-OD2 3.41Å; R148-D509 IonicContact NE-OD1 3.27Å; R148-D509 PolarHBondContact NE-OD1 3.44Å; R148-D509 IonicContact NE-OD2 2.99Å; R148-D509 PolarHBondContact NE-OD2 2.93Å; R148-D509 IonicContact NH2-OD1 3.72Å; R148-D509 IonicContact NH2-OD2 3.53Å; R148-D509 PolarHBondContact NH2-OD2 3.1Å; W152-D509 PolarHBondContact NE1-OD1 3.31Å; L505-D509 PolarHBondContact O-N 3.3Å; Y506-D509 WeakPolarHBondContact O-CB 3.3Å; Y506-D509 PolarHBondContact O-N 2.67Å; D509-A513 WeakPolarHBondContact O-CB 3.31Å; D509-A513 PolarHBondContact O-N 3.36Å
510	C	95.2	Very high	91.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-70.8	-46.4	-179.2	-59.5	0	0	0	0	112.6	Y506 I507 W508 F512 A513 I514 F520 V561	Y506-C510 VanDerWaalsContact CE2-SG 3.59Å; Y506-C510 PolarHBondContact O-N 2.79Å; Y506-C510 PolarHBondContact O-SG 3.14Å; I507-C510 PolarHBondContact O-N 3.28Å; W508-C510 PolarHBondContact O-N 3.35Å; C510-F512 VanDerWaalsContact C-N 3.33Å; C510-F512 PolarHBondContact O-N 2.99Å; C510-A513 PolarHBondContact O-N 3.43Å; C510-I514 HydrophobicContact CB-CD1 4.48Å; C510-I514 WeakPolarHBondContact O-CD1 3.12Å; C510-I514 WeakPolarHBondContact O-CG1 3.35Å; C510-I514 PolarHBondContact O-N 3.1Å; C510-F520 HydrophobicContact CB-CE1 4.41Å; C510-V561 HydrophobicContact CB-CG1 4.22Å
511	I	95.3	Very high	91.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-56.7	-48.5	179.5	-72.2	169.6	0	0	0	110.4	F495 I507 W508 N515 L518 F520 V521	F495-I511 HydrophobicContact CD2-CD1 4.14Å; F495-I511 HydrophobicContact CE2-CD1 3.98Å; I507-I511 HydrophobicContact CG2-CD1 3.6Å; I507-I511 HydrophobicContact CG2-CG1 4.22Å; I507-I511 VanDerWaalsContact O-CG1 3.31Å; I507-I511 WeakPolarHBondContact O-CG1 3.3Å; I507-I511 PolarHBondContact O-N 3.23Å; W508-I511 PolarHBondContact O-N 3.17Å; I511-N515 PolarHBondContact O-N 3.26Å; I511-N515 VanDerWaalsContact O-O 3.13Å; I511-L518 HydrophobicContact CG2-CD2 3.42Å; I511-L518 VanDerWaalsContact CG2-CD2 3.42Å; I511-F520 HydrophobicContact CG1-CD1 4.05Å; I511-V521 HydrophobicContact CD1-CG2 4.2Å; I511-V521 HydrophobicContact CG2-CG2 4.18Å
512	F	94.8	Very high	91.7	Very high	2 Å²	2	18 Å²	18	1%	0.009	10%	0.099	C	C	.	.	H	α-helix	trans	-70.3	-41	-178.8	-57.4	-27.2	0	0	0	111.7	W152 F155 L156 I318 W508 C510 I514 L518	W152-F512 HydrophobicContact CB-CD2 4.37Å; W152-F512 AromaticContact CD2-CD2 3.85Å; W152-F512 HydrophobicContact CD2-CD2 3.85Å; W152-F512 AromaticContact CD2-CE2 3.8Å; W152-F512 HydrophobicContact CD2-CE2 3.8Å; W152-F512 HydrophobicContact CE3-CD2 4.37Å; W152-F512 AromaticContact CE3-CE2 3.87Å; W152-F512 HydrophobicContact CE3-CE2 3.87Å; W152-F512 AromaticContact CG-CD2 3.87Å; W152-F512 HydrophobicContact CG-CD2 3.87Å; W152-F512 HydrophobicContact CG-CE2 4.28Å; W152-F512 HydrophobicContact CH2-CE2 4.32Å; W152-F512 HydrophobicContact CZ2-CE2 4.3Å; W152-F512 HydrophobicContact CZ3-CE2 4.14Å; F155-F512 HydrophobicContact CB-CB 3.75Å; F155-F512 WeakPolarHBondContact CB-O 3.49Å; F155-F512 HydrophobicContact CD2-CB 4.1Å; F155-F512 HydrophobicContact CG-CB 4.33Å; L156-F512 HydrophobicContact CD2-CB 4.49Å; L156-F512 HydrophobicContact CD2-CD1 3.73Å; L156-F512 HydrophobicContact CD2-CE1 4.1Å; L156-F512 HydrophobicContact CD2-CG 4.04Å; L156-F512 HydrophobicContact CG-CD1 4.5Å; L156-F512 HydrophobicContact CG-CG 4.34Å; I318-F512 HydrophobicContact CD1-CE1 3.94Å; I318-F512 HydrophobicContact CD1-CE2 4.24Å; I318-F512 HydrophobicContact CD1-CZ 3.47Å; I318-F512 VanDerWaalsContact CD1-CZ 3.47Å; I318-F512 HydrophobicContact CG1-CE1 4.04Å; I318-F512 HydrophobicContact CG1-CZ 4.1Å; W508-F512 HydrophobicContact CB-CD2 4.4Å; W508-F512 HydrophobicContact CB-CE2 3.93Å; W508-F512 HydrophobicContact CB-CZ 4.21Å; W508-F512 HydrophobicContact CD2-CE2 4.31Å; W508-F512 AromaticContact CD2-CZ 4Å; W508-F512 HydrophobicContact CD2-CZ 4Å; W508-F512 AromaticContact CE3-CE2 3.84Å; W508-F512 HydrophobicContact CE3-CE2 3.84Å; W508-F512 AromaticContact CE3-CZ 3.69Å; W508-F512 HydrophobicContact CE3-CZ 3.69Å; W508-F512 HydrophobicContact CG-CE2 4.39Å; W508-F512 HydrophobicContact CG-CZ 4.24Å; W508-F512 HydrophobicContact CZ3-CZ 4.39Å; W508-F512 WeakPolarHBondContact O-CB 3.33Å; W508-F512 VanDerWaalsContact O-CD2 3.29Å; W508-F512 WeakPolarHBondContact O-CD2 3.25Å; W508-F512 VanDerWaalsContact O-CG 3.26Å; W508-F512 WeakPolarHBondContact O-CG 3.5Å; W508-F512 PolarHBondContact O-N 2.56Å; C510-F512 VanDerWaalsContact C-N 3.33Å; C510-F512 PolarHBondContact O-N 2.99Å; F512-I514 PolarHBondContact O-N 3.25Å; F512-L518 HydrophobicContact CD1-CD2 4.19Å; F512-L518 HydrophobicContact CE1-CD2 4.09Å
513	A	92.2	Very high	92	Very high	2 Å²	2	15 Å²	15	2%	0.017	9%	0.085	C	C	.	.	H	α-helix	trans	-61.5	-41.1	-179.6	0	0	0	0	0	113.4	I134 A137 F155 D509 C510	I134-A513 WeakPolarHBondContact CD1-O 3.3Å; I134-A513 HydrophobicContact CG1-CB 4.25Å; I134-A513 WeakPolarHBondContact CG1-O 3.11Å; I134-A513 HydrophobicContact CG2-CB 4.43Å; A137-A513 HydrophobicContact CB-CB 3.53Å; F155-A513 HydrophobicContact CD1-CB 4.17Å; F155-A513 HydrophobicContact CD2-CB 4.14Å; F155-A513 HydrophobicContact CE1-CB 3.77Å; F155-A513 HydrophobicContact CE2-CB 3.76Å; F155-A513 HydrophobicContact CG-CB 4.34Å; F155-A513 HydrophobicContact CZ-CB 3.54Å; D509-A513 WeakPolarHBondContact O-CB 3.31Å; D509-A513 PolarHBondContact O-N 3.36Å; C510-A513 PolarHBondContact O-N 3.43Å
514	I	89.8	Confident	92.1	Very high	28 Å²	28	12.8 Å²	12.8	14%	0.144	7%	0.072	C	C	.	.	H	α-helix	trans	-76.1	-49	-174.1	-62	163.2	0	0	0	110.4	C510 F512 F520 L565 Y568	C510-I514 HydrophobicContact CB-CD1 4.48Å; C510-I514 WeakPolarHBondContact O-CD1 3.12Å; C510-I514 WeakPolarHBondContact O-CG1 3.35Å; C510-I514 PolarHBondContact O-N 3.1Å; F512-I514 PolarHBondContact O-N 3.25Å; I514-F520 HydrophobicContact CB-CB 4.35Å; I514-F520 HydrophobicContact CB-CG 4.4Å; I514-F520 HydrophobicContact CD1-CB 4.36Å; I514-F520 HydrophobicContact CD1-CD1 3.54Å; I514-F520 HydrophobicContact CD1-CD2 3.54Å; I514-F520 HydrophobicContact CD1-CE1 3.52Å; I514-F520 HydrophobicContact CD1-CE2 3.54Å; I514-F520 HydrophobicContact CD1-CG 3.53Å; I514-F520 HydrophobicContact CD1-CZ 3.51Å; I514-F520 HydrophobicContact CG2-CB 4.26Å; I514-F520 HydrophobicContact CG2-CD2 4.19Å; I514-F520 HydrophobicContact CG2-CG 4.34Å; I514-L565 HydrophobicContact CD1-CD2 3.48Å; I514-L565 VanDerWaalsContact CD1-CD2 3.48Å; I514-L565 HydrophobicContact CD1-CG 4.43Å; I514-L565 HydrophobicContact CG1-CD2 4.23Å; I514-Y568 HydrophobicContact CG2-CD1 3.78Å; I514-Y568 HydrophobicContact CG2-CE1 3.29Å
515	N	83.1	Confident	92.2	Very high	39 Å²	39	12.8 Å²	12.8	21%	0.209	7%	0.072	C	C	.	.			trans	-152.3	127.6	178.7	-62.7	94.6	0	0	0	112.9	I511 N517 L518 A519 Y568	I511-N515 PolarHBondContact O-N 3.26Å; I511-N515 VanDerWaalsContact O-O 3.13Å; N515-N517 VanDerWaalsContact CB-OD1 3.24Å; N515-N517 WeakPolarHBondContact CB-OD1 3.09Å; N515-N517 PolarHBondContact O-N 3.16Å; N515-L518 PolarHBondContact O-N 3.06Å; N515-L518 VanDerWaalsContact O-N 3.16Å; N515-A519 HydrophobicContact CB-CB 4.18Å; N515-Y568 PolarHBondContact ND2-OH 3.47Å; N515-Y568 VanDerWaalsContact OD1-CZ 3.29Å; N515-Y568 PolarHBondContact OD1-OH 3.34Å
516	N	79.2	Confident	92.3	Very high	53 Å²	53	12.7 Å²	12.7	28%	0.283	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-19.2	175.3	66.7	-3.3	0	0	0	114.6	F155 N157 L518	F155-N516 WeakPolarHBondContact O-CB 3.43Å; N157-N516 PolarHBondContact ND2-ND2 3.05Å; N516-L518 VanDerWaalsContact C-N 3.34Å
517	N	81.3	Confident	92.3	Very high	95 Å²	95	12.7 Å²	12.7	51%	0.508	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	7.8	179	71.7	-9.8	0	0	0	113.1	N515 A519	N515-N517 VanDerWaalsContact CB-OD1 3.24Å; N515-N517 WeakPolarHBondContact CB-OD1 3.09Å; N515-N517 PolarHBondContact O-N 3.16Å; N517-A519 PolarHBondContact O-N 3.38Å; N517-A519 WeakPolarHBondContact OD1-CB 3.13Å; N517-A519 PolarHBondContact OD1-N 3Å; N517-A519 VanDerWaalsContact OD1-N 3.1Å
518	L	86.4	Confident	92.3	Very high	4 Å²	4	12.6 Å²	12.6	2%	0.021	7%	0.072	C	C	.	.			trans	63.7	21.4	179.4	-47.7	177.8	0	0	0	114.4	V322 L494 I511 F512 N515 N516 F520 V521	V322-L518 HydrophobicContact CG1-CD1 3.26Å; L494-L518 HydrophobicContact CD2-CD1 4.24Å; I511-L518 HydrophobicContact CG2-CD2 3.42Å; I511-L518 VanDerWaalsContact CG2-CD2 3.42Å; F512-L518 HydrophobicContact CD1-CD2 4.19Å; F512-L518 HydrophobicContact CE1-CD2 4.09Å; N515-L518 PolarHBondContact O-N 3.06Å; N515-L518 VanDerWaalsContact O-N 3.16Å; N516-L518 VanDerWaalsContact C-N 3.34Å; L518-F520 PolarHBondContact O-N 2.83Å; L518-V521 HydrophobicContact CB-CG2 3.85Å; L518-V521 WeakPolarHBondContact O-CB 3.49Å; L518-V521 WeakPolarHBondContact O-CG2 3.49Å; L518-V521 PolarHBondContact O-N 3.49Å
519	A	87.6	Confident	92.3	Very high	33 Å²	33	12.6 Å²	12.6	27%	0.273	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-16.3	176.6	0	0	0	0	0	114.2	N515 N517 P522 Y523	N515-A519 HydrophobicContact CB-CB 4.18Å; N517-A519 PolarHBondContact O-N 3.38Å; N517-A519 WeakPolarHBondContact OD1-CB 3.13Å; N517-A519 PolarHBondContact OD1-N 3Å; N517-A519 VanDerWaalsContact OD1-N 3.1Å; A519-P522 WeakPolarHBondContact O-CD 3.29Å; A519-Y523 WeakPolarHBondContact O-CD2 3.1Å
520	F	93	Very high	92.3	Very high	1 Å²	1	13.9 Å²	13.9	0%	0.004	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-18.5	174.7	-168.8	-118.9	0	0	0	113.7	C510 I511 I514 L518 Y523 M524 A564 L565 Y568	C510-F520 HydrophobicContact CB-CE1 4.41Å; I511-F520 HydrophobicContact CG1-CD1 4.05Å; I514-F520 HydrophobicContact CB-CB 4.35Å; I514-F520 HydrophobicContact CB-CG 4.4Å; I514-F520 HydrophobicContact CD1-CB 4.36Å; I514-F520 HydrophobicContact CD1-CD1 3.54Å; I514-F520 HydrophobicContact CD1-CD2 3.54Å; I514-F520 HydrophobicContact CD1-CE1 3.52Å; I514-F520 HydrophobicContact CD1-CE2 3.54Å; I514-F520 HydrophobicContact CD1-CG 3.53Å; I514-F520 HydrophobicContact CD1-CZ 3.51Å; I514-F520 HydrophobicContact CG2-CB 4.26Å; I514-F520 HydrophobicContact CG2-CD2 4.19Å; I514-F520 HydrophobicContact CG2-CG 4.34Å; L518-F520 PolarHBondContact O-N 2.83Å; F520-Y523 PolarHBondContact O-N 3.27Å; F520-Y523 VanDerWaalsContact O-N 3.14Å; F520-M524 PolarHBondContact O-N 2.96Å; F520-A564 HydrophobicContact CE1-CB 4.15Å; F520-A564 HydrophobicContact CE2-CB 3.87Å; F520-A564 HydrophobicContact CZ-CB 3.41Å; F520-A564 VanDerWaalsContact CZ-CB 3.41Å; F520-L565 HydrophobicContact CE2-CD2 4.04Å; F520-L565 HydrophobicContact CE2-CG 4.25Å; F520-L565 HydrophobicContact CZ-CD2 4.13Å; F520-L565 HydrophobicContact CZ-CG 4Å; F520-Y568 HydrophobicContact CD2-CD1 4.08Å; F520-Y568 HydrophobicContact CD2-CG 4.1Å; F520-Y568 HydrophobicContact CE2-CD1 4.47Å; F520-Y568 HydrophobicContact CE2-CG 4.47Å
521	V	94.9	Very high	92.2	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-58.4	-46	-176.7	171.4	0	0	0	0	113.1	W325 I491 L494 F495 I511 L518 Y523 M524 Y525	W325-V521 HydrophobicContact CH2-CB 4.5Å; W325-V521 HydrophobicContact CH2-CG1 4.22Å; I491-V521 HydrophobicContact CB-CG1 4.48Å; I491-V521 HydrophobicContact CG2-CG1 4.2Å; L494-V521 HydrophobicContact CD2-CG2 3.88Å; F495-V521 HydrophobicContact CE2-CG1 4.25Å; F495-V521 HydrophobicContact CZ-CG1 4.01Å; I511-V521 HydrophobicContact CD1-CG2 4.2Å; I511-V521 HydrophobicContact CG2-CG2 4.18Å; L518-V521 HydrophobicContact CB-CG2 3.85Å; L518-V521 WeakPolarHBondContact O-CB 3.49Å; L518-V521 WeakPolarHBondContact O-CG2 3.49Å; L518-V521 PolarHBondContact O-N 3.49Å; V521-Y523 VanDerWaalsContact C-N 3.27Å; V521-Y523 PolarHBondContact O-N 3.26Å; V521-M524 PolarHBondContact O-N 3.47Å; V521-Y525 WeakPolarHBondContact O-CB 3.44Å; V521-Y525 PolarHBondContact O-N 3.31Å
522	P	94.9	Very high	92.2	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.013	9%	0.085	C	C	.	.	H	α-helix	trans	-51.7	-41.1	172.7	-32	37.4	0	0	0	114.8	F439 F456 I460 L464 A519 Y525 L526	F439-P522 HydrophobicContact CD1-CB 4.09Å; F439-P522 HydrophobicContact CD1-CG 3.68Å; F439-P522 HydrophobicContact CE1-CB 4.34Å; F439-P522 HydrophobicContact CE1-CG 3.77Å; F439-P522 HydrophobicContact CG-CB 4.33Å; F439-P522 HydrophobicContact CG-CG 4.41Å; F456-P522 HydrophobicContact CE1-CG 4.31Å; F456-P522 HydrophobicContact CE2-CG 4.26Å; F456-P522 HydrophobicContact CZ-CG 3.59Å; I460-P522 HydrophobicContact CD1-CB 3.98Å; I460-P522 HydrophobicContact CD1-CG 4.15Å; I460-P522 HydrophobicContact CG1-CB 3.99Å; I460-P522 HydrophobicContact CG1-CG 4.38Å; L464-P522 HydrophobicContact CD1-CB 3.79Å; A519-P522 WeakPolarHBondContact O-CD 3.29Å; P522-Y525 WeakPolarHBondContact O-CB 3.16Å; P522-Y525 PolarHBondContact O-N 3.25Å; P522-L526 WeakPolarHBondContact O-CB 3.22Å; P522-L526 PolarHBondContact O-N 2.91Å
523	Y	96.1	Very high	92.1	Very high	6 Å²	6	15.7 Å²	15.7	2%	0.024	9%	0.086	C	C	.	.	H	α-helix	trans	-76.4	-35.9	-176.8	-61.1	-85	0	0	0	111.7	F439 L464 A519 F520 V521 L526 S527 A564 L567 Y568	F439-Y523 HydrophobicContact CB-CE2 4.16Å; F439-Y523 PolarHBondContact N-OH 3.05Å; L464-Y523 HydrophobicContact CD1-CE1 4.38Å; L464-Y523 HydrophobicContact CD2-CE1 4.3Å; A519-Y523 WeakPolarHBondContact O-CD2 3.1Å; F520-Y523 PolarHBondContact O-N 3.27Å; F520-Y523 VanDerWaalsContact O-N 3.14Å; V521-Y523 VanDerWaalsContact C-N 3.27Å; V521-Y523 PolarHBondContact O-N 3.26Å; Y523-L526 PolarHBondContact O-N 2.71Å; Y523-S527 VanDerWaalsContact O-CB 3.29Å; Y523-S527 WeakPolarHBondContact O-CB 3.32Å; Y523-S527 PolarHBondContact O-N 3.14Å; Y523-A564 WeakPolarHBondContact O-CB 3.49Å; Y523-L567 HydrophobicContact CD1-CB 3.83Å; Y523-L567 WeakPolarHBondContact CE1-O 3.17Å; Y523-Y568 HydrophobicContact CD1-CD2 4.48Å; Y523-Y568 AromaticContact CD2-CD2 3.57Å; Y523-Y568 HydrophobicContact CD2-CD2 3.57Å; Y523-Y568 HydrophobicContact CD2-CE2 4.36Å; Y523-Y568 HydrophobicContact CD2-CG 4.17Å; Y523-Y568 HydrophobicContact CE1-CD2 4.23Å; Y523-Y568 AromaticContact CE2-CD2 3.3Å; Y523-Y568 HydrophobicContact CE2-CD2 3.3Å; Y523-Y568 AromaticContact CE2-CE2 3.89Å; Y523-Y568 HydrophobicContact CE2-CE2 3.89Å; Y523-Y568 HydrophobicContact CE2-CG 4.29Å; Y523-Y568 HydrophobicContact CG-CD2 4.16Å; Y523-Y568 HydrophobicContact CG-CG 4.41Å; Y523-Y568 AromaticContact CZ-CD2 3.64Å
524	M	96.6	Very high	92.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.4	-43.6	170.2	-173.6	62.6	-168.3	0	0	111.5	F495 F499 I507 F520 V521 S527 M528 L560 A564	F495-M524 HydrophobicContact CD2-CG 4.08Å; F495-M524 HydrophobicContact CE1-CG 4.41Å; F495-M524 HydrophobicContact CE2-CB 3.84Å; F495-M524 HydrophobicContact CE2-CG 3.55Å; F495-M524 HydrophobicContact CZ-CB 3.82Å; F495-M524 HydrophobicContact CZ-CG 3.73Å; F499-M524 HydrophobicContact CE2-CE 4.5Å; F499-M524 HydrophobicContact CZ-CE 4.48Å; I507-M524 HydrophobicContact CD1-CE 3.8Å; I507-M524 HydrophobicContact CG1-CE 3.87Å; I507-M524 HydrophobicContact CG2-CE 4.24Å; I507-M524 HydrophobicContact CG2-CG 4.3Å; F520-M524 PolarHBondContact O-N 2.96Å; V521-M524 PolarHBondContact O-N 3.47Å; M524-S527 WeakPolarHBondContact O-CB 3.47Å; M524-S527 PolarHBondContact O-N 2.82Å; M524-M528 HydrophobicContact CE-CG 4.31Å; M524-M528 HydrophobicContact CE-SD 4.42Å; M524-M528 WeakPolarHBondContact O-CG 3.25Å; M524-M528 PolarHBondContact O-N 2.9Å; M524-M528 VanDerWaalsContact O-N 3.07Å; M524-L560 HydrophobicContact CE-CB 3.79Å; M524-L560 HydrophobicContact CE-CD1 4.16Å; M524-L560 HydrophobicContact SD-CB 4.39Å; M524-A564 HydrophobicContact CB-CB 4.42Å; M524-A564 HydrophobicContact SD-CB 4.23Å
525	Y	97	Very high	92.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-58	-49	173.5	174.8	-83.7	0	0	0	111.5	L457 I460 H461 F486 W490 I491 V521 P522 S527 M528 L529	L457-Y525 HydrophobicContact CD2-CD2 4.34Å; L457-Y525 HydrophobicContact CD2-CE2 3.84Å; I460-Y525 HydrophobicContact CG2-CD1 3.62Å; I460-Y525 HydrophobicContact CG2-CE1 3.88Å; H461-Y525 AromaticContact NE2-CE1 3.65Å; H461-Y525 AromaticContact NE2-CZ 3.72Å; H461-Y525 PolarHBondContact NE2-OH 3.38Å; F486-Y525 HydrophobicContact CE2-CE2 4.19Å; F486-Y525 AromaticContact CE2-CZ 3.87Å; F486-Y525 WeakPolarHBondContact CE2-OH 2.93Å; F486-Y525 WeakPolarHBondContact CZ-OH 3.32Å; W490-Y525 HydrophobicContact CB-CD2 4.36Å; W490-Y525 HydrophobicContact CD2-CE2 4.37Å; W490-Y525 AromaticContact CE3-CD2 3.64Å; W490-Y525 HydrophobicContact CE3-CD2 3.64Å; W490-Y525 AromaticContact CE3-CE2 3.58Å; W490-Y525 HydrophobicContact CE3-CE2 3.58Å; W490-Y525 HydrophobicContact CZ3-CD2 4.37Å; W490-Y525 HydrophobicContact CZ3-CE2 4.17Å; I491-Y525 HydrophobicContact CG2-CD2 4.01Å; V521-Y525 WeakPolarHBondContact O-CB 3.44Å; V521-Y525 PolarHBondContact O-N 3.31Å; P522-Y525 WeakPolarHBondContact O-CB 3.16Å; P522-Y525 PolarHBondContact O-N 3.25Å; Y525-S527 PolarHBondContact O-N 2.87Å; Y525-M528 PolarHBondContact O-N 3.41Å; Y525-L529 HydrophobicContact CE1-CD2 4.2Å; Y525-L529 PolarHBondContact O-N 3.03Å
526	L	96.7	Very high	92.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.3	-41.8	178.7	179.3	62.5	0	0	0	111.4	L464 L465 H468 P522 Y523 M528 L529 L530 L567	L464-L526 HydrophobicContact CB-CD2 3.82Å; L465-L526 HydrophobicContact CB-CD1 4.14Å; L465-L526 HydrophobicContact CD1-CD1 3.79Å; H468-L526 HydrophobicContact CB-CD2 4.18Å; P522-L526 WeakPolarHBondContact O-CB 3.22Å; P522-L526 PolarHBondContact O-N 2.91Å; Y523-L526 PolarHBondContact O-N 2.71Å; L526-M528 VanDerWaalsContact C-N 3.33Å; L526-M528 PolarHBondContact O-N 3.2Å; L526-L529 PolarHBondContact O-N 3.3Å; L526-L529 VanDerWaalsContact O-N 3.13Å; L526-L530 HydrophobicContact CD1-CD1 4.19Å; L526-L530 HydrophobicContact CD1-CD2 4.3Å; L526-L530 HydrophobicContact CD1-CG 3.89Å; L526-L530 HydrophobicContact CD2-CD1 4.31Å; L526-L530 HydrophobicContact CG-CD1 3.9Å; L526-L530 HydrophobicContact CG-CG 4.06Å; L526-L530 WeakPolarHBondContact O-CB 3.45Å; L526-L530 WeakPolarHBondContact O-CG 3.5Å; L526-L530 PolarHBondContact O-N 3.49Å; L526-L567 HydrophobicContact CB-CD1 4.26Å; L526-L567 HydrophobicContact CD2-CD1 3.86Å; L526-L567 HydrophobicContact CD2-CD2 4.14Å; L526-L567 HydrophobicContact CD2-CG 4.49Å; L526-L567 HydrophobicContact CG-CD1 3.93Å
527	S	96.5	Very high	93.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-56.9	-44.8	176.4	175.8	0	0	0	0	112.3	Y523 M524 Y525 L529 R531 L560 M563	Y523-S527 VanDerWaalsContact O-CB 3.29Å; Y523-S527 WeakPolarHBondContact O-CB 3.32Å; Y523-S527 PolarHBondContact O-N 3.14Å; M524-S527 WeakPolarHBondContact O-CB 3.47Å; M524-S527 PolarHBondContact O-N 2.82Å; Y525-S527 PolarHBondContact O-N 2.87Å; S527-L529 PolarHBondContact O-N 2.82Å; S527-R531 WeakPolarHBondContact O-CB 3.16Å; S527-R531 PolarHBondContact O-N 3.38Å; S527-L560 WeakPolarHBondContact CB-O 3.3Å; S527-L560 WeakPolarHBondContact OG-CA 3.35Å; S527-L560 PolarHBondContact OG-O 3.25Å; S527-M563 WeakPolarHBondContact OG-CB 3.44Å
528	M	96.4	Very high	94.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-61.3	-43.4	174.1	-71.6	175.1	65.1	0	0	112.3	W490 F495 E498 F499 M524 Y525 L526 R531 L532 Y551 L560	W490-M528 HydrophobicContact CD2-CE 4.1Å; W490-M528 HydrophobicContact CE3-CE 3.96Å; W490-M528 HydrophobicContact CE3-SD 4.44Å; W490-M528 HydrophobicContact CH2-CE 4.31Å; W490-M528 HydrophobicContact CZ2-CE 4.4Å; W490-M528 HydrophobicContact CZ3-CB 3.97Å; W490-M528 HydrophobicContact CZ3-CE 4.08Å; F495-M528 HydrophobicContact CD1-CE 4.25Å; F495-M528 HydrophobicContact CD1-SD 3.44Å; F495-M528 WeakPolarHBondContact CD1-SD 3.49Å; F495-M528 HydrophobicContact CE1-SD 3.72Å; F495-M528 HydrophobicContact CG-SD 4.2Å; E498-M528 HydrophobicContact CB-CE 4.12Å; E498-M528 HydrophobicContact CG-CE 4.2Å; F499-M528 HydrophobicContact CE2-CE 3.62Å; F499-M528 HydrophobicContact CE2-SD 3.64Å; F499-M528 HydrophobicContact CZ-CE 3.83Å; F499-M528 HydrophobicContact CZ-CG 4.27Å; F499-M528 HydrophobicContact CZ-SD 3.94Å; M524-M528 HydrophobicContact CE-CG 4.31Å; M524-M528 HydrophobicContact CE-SD 4.42Å; M524-M528 WeakPolarHBondContact O-CG 3.25Å; M524-M528 PolarHBondContact O-N 2.9Å; M524-M528 VanDerWaalsContact O-N 3.07Å; Y525-M528 PolarHBondContact O-N 3.41Å; L526-M528 VanDerWaalsContact C-N 3.33Å; L526-M528 PolarHBondContact O-N 3.2Å; M528-R531 WeakPolarHBondContact O-CB 3.41Å; M528-R531 PolarHBondContact O-N 2.67Å; M528-L532 PolarHBondContact O-N 2.74Å; M528-Y551 WeakPolarHBondContact CA-OH 3.29Å; M528-Y551 HydrophobicContact CB-CE2 3.8Å; M528-Y551 HydrophobicContact CE-CD1 3.95Å; M528-Y551 HydrophobicContact CE-CD2 3.78Å; M528-Y551 HydrophobicContact CE-CE1 3.86Å; M528-Y551 HydrophobicContact CE-CE2 3.73Å; M528-Y551 HydrophobicContact CE-CG 3.9Å; M528-Y551 HydrophobicContact CG-CE2 4.32Å; M528-Y551 PolarHBondContact O-OH 2.74Å; M528-L560 HydrophobicContact CG-CD1 4.05Å; M528-L560 HydrophobicContact CG-CD2 4.49Å
529	L	95.6	Very high	94.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-67.8	-44.4	-179.3	-171.5	57.9	0	0	0	111.9	L465 L472 F486 Y525 L526 S527 R531 L532 A533 L536 L548	L465-L529 HydrophobicContact CD1-CD2 3.92Å; L465-L529 HydrophobicContact CD1-CG 4.41Å; L465-L529 HydrophobicContact CD2-CD2 3.68Å; L465-L529 HydrophobicContact CG-CD2 4.33Å; L472-L529 HydrophobicContact CD2-CD1 4.29Å; L472-L529 HydrophobicContact CD2-CG 3.94Å; F486-L529 HydrophobicContact CE2-CD1 4.46Å; F486-L529 HydrophobicContact CZ-CD1 4.47Å; Y525-L529 HydrophobicContact CE1-CD2 4.2Å; Y525-L529 PolarHBondContact O-N 3.03Å; L526-L529 PolarHBondContact O-N 3.3Å; L526-L529 VanDerWaalsContact O-N 3.13Å; S527-L529 PolarHBondContact O-N 2.82Å; L529-R531 VanDerWaalsContact C-N 3.27Å; L529-R531 PolarHBondContact O-N 3.16Å; L529-L532 PolarHBondContact O-N 3.41Å; L529-A533 PolarHBondContact O-N 3.45Å; L529-A533 VanDerWaalsContact O-N 3.09Å; L529-L536 HydrophobicContact CD1-CD1 3.88Å; L529-L548 HydrophobicContact CD1-CD2 3.62Å
530	L	95	Very high	94.8	Very high	26 Å²	26	31.2 Å²	31.2	14%	0.136	15%	0.151	C	C	.	.	H	α-helix	trans	-62.6	-34.7	176.3	-70.9	179.9	0	0	0	112.1	L465 H468 N469 L526 L532 A533 M563 L567	L465-L530 HydrophobicContact CD1-CD2 4.36Å; H468-L530 HydrophobicContact CB-CD1 4.4Å; N469-L530 HydrophobicContact CB-CD2 3.55Å; L526-L530 HydrophobicContact CD1-CD1 4.19Å; L526-L530 HydrophobicContact CD1-CD2 4.3Å; L526-L530 HydrophobicContact CD1-CG 3.89Å; L526-L530 HydrophobicContact CD2-CD1 4.31Å; L526-L530 HydrophobicContact CG-CD1 3.9Å; L526-L530 HydrophobicContact CG-CG 4.06Å; L526-L530 WeakPolarHBondContact O-CB 3.45Å; L526-L530 WeakPolarHBondContact O-CG 3.5Å; L526-L530 PolarHBondContact O-N 3.49Å; L530-L532 PolarHBondContact O-N 3.42Å; L530-A533 VanDerWaalsContact O-CB 3.27Å; L530-A533 WeakPolarHBondContact O-CB 3.14Å; L530-A533 PolarHBondContact O-N 2.95Å; L530-A533 VanDerWaalsContact O-N 3.14Å; L530-M563 HydrophobicContact CD1-CE 3.73Å; L530-L567 HydrophobicContact CD1-CD1 3.99Å; L530-L567 HydrophobicContact CD1-CD2 4.15Å
531	R	94.1	Very high	95	Very high	33 Å²	33	35.4 Å²	35.4	13%	0.125	17%	0.169	C	C	.	.	H	α-helix	trans	-59.9	-34.9	173.9	175.1	59.7	-169.8	88.1	2.4	111.9	S527 M528 L529 I555 L560 Y580	S527-R531 WeakPolarHBondContact O-CB 3.16Å; S527-R531 PolarHBondContact O-N 3.38Å; M528-R531 WeakPolarHBondContact O-CB 3.41Å; M528-R531 PolarHBondContact O-N 2.67Å; L529-R531 VanDerWaalsContact C-N 3.27Å; L529-R531 PolarHBondContact O-N 3.16Å; R531-I555 HydrophobicContact CG-CD1 4.33Å; R531-I555 HydrophobicContact CG-CG2 4.18Å; R531-L560 HydrophobicContact CB-CD2 3.81Å; R531-L560 HydrophobicContact CG-CD2 4.11Å; R531-Y580 VanDerWaalsContact NH2-CD1 3.31Å; R531-Y580 VanDerWaalsContact NH2-CD2 3.26Å
532	L	94.1	Very high	95	Very high	5 Å²	5	39.7 Å²	39.7	3%	0.026	20%	0.195	C	C	.	.	H	α-helix	trans	-86.2	-13.4	178.1	-59.9	-176.6	0	0	0	113.5	M528 L529 L530 T535 L536 L547 L548 Y551 P552 I555	M528-L532 PolarHBondContact O-N 2.74Å; L529-L532 PolarHBondContact O-N 3.41Å; L530-L532 PolarHBondContact O-N 3.42Å; L532-T535 PolarHBondContact O-N 2.85Å; L532-L536 HydrophobicContact CB-CD1 3.64Å; L532-L536 HydrophobicContact CB-CG 3.98Å; L532-L536 WeakPolarHBondContact O-CG 3.49Å; L532-L536 PolarHBondContact O-N 3.18Å; L532-L547 HydrophobicContact CD1-CG 4.3Å; L532-L548 HydrophobicContact CD1-CD2 4.35Å; L532-Y551 HydrophobicContact CD1-CD2 3.64Å; L532-Y551 HydrophobicContact CD1-CE2 3.55Å; L532-Y551 HydrophobicContact CD2-CE2 4.21Å; L532-Y551 HydrophobicContact CG-CD2 4.37Å; L532-Y551 HydrophobicContact CG-CE2 3.81Å; L532-P552 HydrophobicContact CD2-CG 3.78Å; L532-I555 HydrophobicContact CD2-CD1 4.34Å
533	A	94	Very high	95	Very high	3 Å²	3	43.5 Å²	43.5	3%	0.025	21%	0.213	C	C	.	.	H	α-helix	trans	-50.4	-47.2	-172.3	0	0	0	0	0	114.9	L472 L529 L530 T535 L536 I537	L472-A533 HydrophobicContact CD2-CB 3.63Å; L529-A533 PolarHBondContact O-N 3.45Å; L529-A533 VanDerWaalsContact O-N 3.09Å; L530-A533 VanDerWaalsContact O-CB 3.27Å; L530-A533 WeakPolarHBondContact O-CB 3.14Å; L530-A533 PolarHBondContact O-N 2.95Å; L530-A533 VanDerWaalsContact O-N 3.14Å; A533-T535 PolarHBondContact O-N 3.47Å; A533-T535 VanDerWaalsContact O-N 3.13Å; A533-L536 PolarHBondContact O-N 3.43Å; A533-I537 VanDerWaalsContact O-CG1 3.31Å; A533-I537 WeakPolarHBondContact O-CG1 3.36Å; A533-I537 PolarHBondContact O-N 3.27Å
534	P	92.1	Very high	95	Very high	64 Å²	64	43.2 Å²	43.2	42%	0.416	21%	0.212	S	C	.	.	H	α-helix	trans	-63.5	-23	-178.9	-22.1	34.7	0	0	0	113.8	K538	P534-K538 WeakPolarHBondContact O-CE 3.27Å
535	T	93.2	Very high	94.9	Very high	50 Å²	50	45.1 Å²	45.1	31%	0.307	22%	0.222	S	C	.	.	H	α-helix	trans	-88.9	-43.1	176.1	-52.7	0	0	0	0	111	L532 A533 I537 K538 Y539 L547	L532-T535 PolarHBondContact O-N 2.85Å; A533-T535 PolarHBondContact O-N 3.47Å; A533-T535 VanDerWaalsContact O-N 3.13Å; T535-I537 PolarHBondContact O-N 2.8Å; T535-K538 PolarHBondContact O-N 3.49Å; T535-Y539 HydrophobicContact CG2-CD2 4.07Å; T535-Y539 HydrophobicContact CG2-CE1 4.26Å; T535-Y539 HydrophobicContact CG2-CE2 3.49Å; T535-Y539 VanDerWaalsContact CG2-CE2 3.49Å; T535-L547 HydrophobicContact CG2-CD2 3.8Å
536	L	94.9	Very high	94.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.9	-41.2	-179	-70.1	170.1	0	0	0	112.7	L472 H475 L529 L532 A533 K538 Y539 C544 L547 L548	L472-L536 HydrophobicContact CD1-CB 3.75Å; L472-L536 HydrophobicContact CD1-CD1 4.07Å; L472-L536 HydrophobicContact CD2-CD1 4.34Å; H475-L536 PolarHBondContact CD2-O 3.29Å; H475-L536 PolarHBondContact NE2-O 3.01Å; H475-L536 VanDerWaalsContact NE2-O 3.14Å; L529-L536 HydrophobicContact CD1-CD1 3.88Å; L532-L536 HydrophobicContact CB-CD1 3.64Å; L532-L536 HydrophobicContact CB-CG 3.98Å; L532-L536 WeakPolarHBondContact O-CG 3.49Å; L532-L536 PolarHBondContact O-N 3.18Å; A533-L536 PolarHBondContact O-N 3.43Å; L536-K538 PolarHBondContact O-N 3.42Å; L536-K538 VanDerWaalsContact O-N 3.13Å; L536-Y539 PolarHBondContact O-N 3.13Å; L536-C544 HydrophobicContact CD2-CB 4.11Å; L536-C544 PolarHBondContact O-SG 3.04Å; L536-L547 HydrophobicContact CD2-CB 4.42Å; L536-L547 HydrophobicContact CD2-CD2 3.87Å; L536-L547 HydrophobicContact CD2-CG 4.47Å; L536-L547 HydrophobicContact CG-CD2 4.27Å; L536-L548 HydrophobicContact CD1-CD2 3.87Å; L536-L548 HydrophobicContact CD1-CG 4.45Å; L536-L548 HydrophobicContact CD2-CD1 4.27Å; L536-L548 HydrophobicContact CD2-CD2 4.21Å; L536-L548 HydrophobicContact CD2-CG 3.92Å
537	I	93.8	Very high	94.7	Very high	68 Å²	68	49.8 Å²	49.8	35%	0.349	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.9	-179.7	-67.2	165.9	0	0	0	112.1	L471 L472 A533 T535	L471-I537 HydrophobicContact CB-CD1 4.39Å; L472-I537 HydrophobicContact CB-CD1 4.43Å; L472-I537 HydrophobicContact CB-CG1 4.44Å; L472-I537 HydrophobicContact CD1-CG1 4.2Å; A533-I537 VanDerWaalsContact O-CG1 3.31Å; A533-I537 WeakPolarHBondContact O-CG1 3.36Å; A533-I537 PolarHBondContact O-N 3.27Å; T535-I537 PolarHBondContact O-N 2.8Å
538	K	93.7	Very high	94.7	Very high	174 Å²	174	49.8 Å²	49.8	76%	0.757	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-11.1	179.3	-59.7	-177.3	-177.3	-172.1	0	113.5	P534 T535 L536	P534-K538 WeakPolarHBondContact O-CE 3.27Å; T535-K538 PolarHBondContact O-N 3.49Å; L536-K538 PolarHBondContact O-N 3.42Å; L536-K538 VanDerWaalsContact O-N 3.13Å
539	Y	94.8	Very high	94.5	Very high	77 Å²	77	53 Å²	53	30%	0.302	27%	0.265	S	S	.	.			trans	-103.5	149.9	-170	-79.4	0.4	0	0	0	111.2	H475 T535 L536 E543 C544 L547	H475-Y539 PolarHBondContact CE1-O 3.26Å; H475-Y539 PolarHBondContact NE2-O 3.48Å; T535-Y539 HydrophobicContact CG2-CD2 4.07Å; T535-Y539 HydrophobicContact CG2-CE1 4.26Å; T535-Y539 HydrophobicContact CG2-CE2 3.49Å; T535-Y539 VanDerWaalsContact CG2-CE2 3.49Å; L536-Y539 PolarHBondContact O-N 3.13Å; Y539-E543 HydrophobicContact CD1-CB 4.31Å; Y539-E543 HydrophobicContact CD2-CB 3.53Å; Y539-E543 HydrophobicContact CE2-CB 4.15Å; Y539-E543 HydrophobicContact CG-CB 3.61Å; Y539-C544 WeakPolarHBondContact CB-SG 3.45Å; Y539-C544 PolarHBondContact O-SG 2.96Å; Y539-C544 VanDerWaalsContact O-SG 3.34Å; Y539-L547 HydrophobicContact CD2-CD2 4.34Å; Y539-L547 HydrophobicContact CE2-CD2 4.19Å
540	E	94.7	Very high	94.4	Very high	147 Å²	147	58.2 Å²	58.2	69%	0.687	29%	0.293	S	S	*	.			trans	-84.2	-176.8	170.3	-63	-172.1	168.8	0	0	110.7	T542 E543 C544	E540-T542 PolarHBondContact O-N 2.78Å; E540-E543 PolarHBondContact O-N 2.9Å; E540-C544 VanDerWaalsContact O-CB 3.31Å; E540-C544 WeakPolarHBondContact O-CB 3.49Å; E540-C544 PolarHBondContact O-N 2.88Å; E540-C544 PolarHBondContact O-SG 3.45Å
541	F	95.8	Very high	94.4	Very high	88 Å²	88	57.5 Å²	57.5	39%	0.386	29%	0.289	S	S	.	.	H	α-helix	trans	-49.9	-52.8	-173.3	176.9	-98.1	0	0	0	113.5	L479 I481 C544 L545	L479-F541 HydrophobicContact CD2-CB 4.46Å; L479-F541 WeakPolarHBondContact O-CD2 3.3Å; I481-F541 HydrophobicContact CD1-CD2 4.17Å; I481-F541 HydrophobicContact CG1-CD2 3.64Å; I481-F541 HydrophobicContact CG1-CE2 3.79Å; F541-C544 PolarHBondContact O-N 3.25Å; F541-L545 HydrophobicContact CE1-CD2 4.18Å; F541-L545 HydrophobicContact CZ-CD2 4.08Å; F541-L545 WeakPolarHBondContact O-CB 3.38Å; F541-L545 PolarHBondContact O-N 3.36Å
542	T	95.1	Very high	94.3	Very high	90 Å²	90	58 Å²	58	55%	0.552	30%	0.296	S	S	*	.	H	α-helix	trans	-66.9	-44.5	-171.8	-58	0	0	0	0	111.8	E540 T546	E540-T542 PolarHBondContact O-N 2.78Å; T542-T546 VanDerWaalsContact O-CB 3.27Å; T542-T546 WeakPolarHBondContact O-CB 3.46Å; T542-T546 PolarHBondContact O-N 3.26Å; T542-T546 PolarHBondContact O-OG1 2.99Å
543	E	95.6	Very high	94	Very high	82 Å²	82	64.3 Å²	64.3	38%	0.383	34%	0.335	S	S	.	.	H	α-helix	trans	-69.6	-40.7	179.7	-66.8	86.4	165	0	0	111.4	Y539 E540 T546 L547	Y539-E543 HydrophobicContact CD1-CB 4.31Å; Y539-E543 HydrophobicContact CD2-CB 3.53Å; Y539-E543 HydrophobicContact CE2-CB 4.15Å; Y539-E543 HydrophobicContact CG-CB 3.61Å; E540-E543 PolarHBondContact O-N 2.9Å; E543-T546 PolarHBondContact O-N 3.37Å; E543-L547 VanDerWaalsContact O-CB 3.31Å; E543-L547 WeakPolarHBondContact O-CB 3.42Å; E543-L547 PolarHBondContact O-N 3.42Å
544	C	95.7	Very high	93.5	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-58.9	-53.5	173.3	-75.5	0	0	0	0	111	L479 I481 L536 Y539 E540 F541 T546 L547 L548	L479-C544 HydrophobicContact CD1-CB 4.41Å; I481-C544 HydrophobicContact CD1-CB 3.49Å; I481-C544 VanDerWaalsContact CD1-CB 3.49Å; L536-C544 HydrophobicContact CD2-CB 4.11Å; L536-C544 PolarHBondContact O-SG 3.04Å; Y539-C544 WeakPolarHBondContact CB-SG 3.45Å; Y539-C544 PolarHBondContact O-SG 2.96Å; Y539-C544 VanDerWaalsContact O-SG 3.34Å; E540-C544 VanDerWaalsContact O-CB 3.31Å; E540-C544 WeakPolarHBondContact O-CB 3.49Å; E540-C544 PolarHBondContact O-N 2.88Å; E540-C544 PolarHBondContact O-SG 3.45Å; F541-C544 PolarHBondContact O-N 3.25Å; C544-T546 VanDerWaalsContact C-N 3.33Å; C544-T546 PolarHBondContact O-N 3.46Å; C544-L547 PolarHBondContact O-N 3.29Å; C544-L548 WeakPolarHBondContact O-CB 3.5Å; C544-L548 VanDerWaalsContact O-CG 3.27Å; C544-L548 WeakPolarHBondContact O-CG 3.39Å; C544-L548 PolarHBondContact O-N 3.2Å
545	L	94.1	Very high	93.3	Very high	41 Å²	41	65.2 Å²	65.2	22%	0.215	35%	0.352	C	S	.	.	H	α-helix	trans	-62.7	-41.1	-178.8	-173.9	63	0	0	0	111.3	L485 F541 L547 L548 M549	L485-L545 HydrophobicContact CB-CD1 4.12Å; L485-L545 HydrophobicContact CD1-CD1 4.1Å; F541-L545 HydrophobicContact CE1-CD2 4.18Å; F541-L545 HydrophobicContact CZ-CD2 4.08Å; F541-L545 WeakPolarHBondContact O-CB 3.38Å; F541-L545 PolarHBondContact O-N 3.36Å; L545-L547 VanDerWaalsContact C-N 3.34Å; L545-L547 PolarHBondContact O-N 3.27Å; L545-L548 PolarHBondContact O-N 2.86Å; L545-M549 HydrophobicContact CD1-CG 3.93Å; L545-M549 HydrophobicContact CG-CG 4.16Å; L545-M549 VanDerWaalsContact O-CB 3.26Å; L545-M549 WeakPolarHBondContact O-CB 3.49Å; L545-M549 WeakPolarHBondContact O-CG 3.35Å; L545-M549 PolarHBondContact O-N 3.07Å
546	T	95.6	Very high	93.2	Very high	66 Å²	66	65.3 Å²	65.3	41%	0.405	35%	0.351	S	S	.	.	H	α-helix	trans	-61.1	-42.5	177.1	-61.2	0	0	0	0	111.9	T542 E543 C544 N550	T542-T546 VanDerWaalsContact O-CB 3.27Å; T542-T546 WeakPolarHBondContact O-CB 3.46Å; T542-T546 PolarHBondContact O-N 3.26Å; T542-T546 PolarHBondContact O-OG1 2.99Å; E543-T546 PolarHBondContact O-N 3.37Å; C544-T546 VanDerWaalsContact C-N 3.33Å; C544-T546 PolarHBondContact O-N 3.46Å; T546-N550 WeakPolarHBondContact O-CB 3.39Å; T546-N550 PolarHBondContact O-N 3.18Å; T546-N550 VanDerWaalsContact O-N 3.14Å; T546-N550 PolarHBondContact O-ND2 2.85Å
547	L	95	Very high	93.1	Very high	31 Å²	31	65.5 Å²	65.5	16%	0.162	35%	0.352	C	S	.	.	H	α-helix	trans	-69.7	-41	179.2	-175.4	64	0	0	0	112.1	L532 T535 L536 Y539 E543 C544 L545 N550 P552	L532-L547 HydrophobicContact CD1-CG 4.3Å; T535-L547 HydrophobicContact CG2-CD2 3.8Å; L536-L547 HydrophobicContact CD2-CB 4.42Å; L536-L547 HydrophobicContact CD2-CD2 3.87Å; L536-L547 HydrophobicContact CD2-CG 4.47Å; L536-L547 HydrophobicContact CG-CD2 4.27Å; Y539-L547 HydrophobicContact CD2-CD2 4.34Å; Y539-L547 HydrophobicContact CE2-CD2 4.19Å; E543-L547 VanDerWaalsContact O-CB 3.31Å; E543-L547 WeakPolarHBondContact O-CB 3.42Å; E543-L547 PolarHBondContact O-N 3.42Å; C544-L547 PolarHBondContact O-N 3.29Å; L545-L547 VanDerWaalsContact C-N 3.34Å; L545-L547 PolarHBondContact O-N 3.27Å; L547-N550 CarbonylContact O-C 3.27Å; L547-N550 VanDerWaalsContact O-C 3.25Å; L547-N550 VanDerWaalsContact O-O 3.1Å; L547-P552 HydrophobicContact CD1-CG 3.63Å
548	L	95.2	Very high	93.1	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-69.4	-39.4	177.8	-70.8	168.8	0	0	0	112.1	L476 I481 F486 W490 L529 L532 L536 C544 L545 N550	L476-L548 HydrophobicContact CD2-CD1 4.23Å; I481-L548 HydrophobicContact CG2-CD1 4.26Å; F486-L548 HydrophobicContact CB-CB 3.99Å; F486-L548 HydrophobicContact CD1-CB 4.07Å; F486-L548 HydrophobicContact CD1-CD1 3.97Å; F486-L548 HydrophobicContact CD1-CG 4.49Å; F486-L548 HydrophobicContact CD2-CB 4.03Å; F486-L548 HydrophobicContact CD2-CD2 4.11Å; F486-L548 HydrophobicContact CE1-CD1 3.8Å; F486-L548 HydrophobicContact CE2-CD2 3.86Å; F486-L548 HydrophobicContact CG-CB 3.76Å; F486-L548 HydrophobicContact CG-CD1 4.44Å; F486-L548 HydrophobicContact CG-CG 4.47Å; F486-L548 HydrophobicContact CZ-CD1 4.1Å; F486-L548 HydrophobicContact CZ-CD2 4.09Å; W490-L548 HydrophobicContact CH2-CD2 4.3Å; W490-L548 VanDerWaalsContact CZ2-O 3.23Å; W490-L548 WeakPolarHBondContact CZ2-O 3.16Å; L529-L548 HydrophobicContact CD1-CD2 3.62Å; L532-L548 HydrophobicContact CD1-CD2 4.35Å; L536-L548 HydrophobicContact CD1-CD2 3.87Å; L536-L548 HydrophobicContact CD1-CG 4.45Å; L536-L548 HydrophobicContact CD2-CD1 4.27Å; L536-L548 HydrophobicContact CD2-CD2 4.21Å; L536-L548 HydrophobicContact CD2-CG 3.92Å; C544-L548 WeakPolarHBondContact O-CB 3.5Å; C544-L548 VanDerWaalsContact O-CG 3.27Å; C544-L548 WeakPolarHBondContact O-CG 3.39Å; C544-L548 PolarHBondContact O-N 3.2Å; L545-L548 PolarHBondContact O-N 2.86Å; L548-N550 VanDerWaalsContact C-N 3.31Å; L548-N550 PolarHBondContact O-N 3.16Å
549	M	92.9	Very high	93.1	Very high	68 Å²	68	57.8 Å²	57.8	34%	0.335	32%	0.319	S	S	.	.	H	α-helix	trans	-71.6	-26.9	178.1	-69.7	-62	-78.3	0	0	112.9	F486 K489 L545	F486-M549 VanDerWaalsContact CA-SD 3.54Å; F486-M549 HydrophobicContact CB-CG 4.44Å; F486-M549 HydrophobicContact CB-SD 3.6Å; F486-M549 VanDerWaalsContact CB-SD 3.6Å; K489-M549 PolarHBondContact NZ-O 2.9Å; L545-M549 HydrophobicContact CD1-CG 3.93Å; L545-M549 HydrophobicContact CG-CG 4.16Å; L545-M549 VanDerWaalsContact O-CB 3.26Å; L545-M549 WeakPolarHBondContact O-CB 3.49Å; L545-M549 WeakPolarHBondContact O-CG 3.35Å; L545-M549 PolarHBondContact O-N 3.07Å
550	N	93.4	Very high	93.1	Very high	110 Å²	110	54.1 Å²	54.1	59%	0.588	31%	0.305	S	S	*	.	S	Bend	trans	-124.1	79.5	-179.9	-57.1	-73.1	0	0	0	110.3	T546 L547 L548	T546-N550 WeakPolarHBondContact O-CB 3.39Å; T546-N550 PolarHBondContact O-N 3.18Å; T546-N550 VanDerWaalsContact O-N 3.14Å; T546-N550 PolarHBondContact O-ND2 2.85Å; L547-N550 CarbonylContact O-C 3.27Å; L547-N550 VanDerWaalsContact O-C 3.25Å; L547-N550 VanDerWaalsContact O-O 3.1Å; L548-N550 VanDerWaalsContact C-N 3.31Å; L548-N550 PolarHBondContact O-N 3.16Å
551	Y	94.1	Very high	93.2	Very high	11 Å²	11	47.1 Å²	47.1	4%	0.043	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-56.8	134.6	-176.5	-164.5	-102.4	0	0	0	111.2	W490 E498 F499 M528 L532 T553 I555 L560	W490-Y551 AromaticContact CH2-CD2 3.69Å; W490-Y551 HydrophobicContact CH2-CD2 3.69Å; W490-Y551 HydrophobicContact CH2-CE2 4.03Å; W490-Y551 AromaticContact CZ2-CD2 3.63Å; W490-Y551 HydrophobicContact CZ2-CD2 3.63Å; W490-Y551 HydrophobicContact CZ2-CE2 4.42Å; W490-Y551 HydrophobicContact CZ2-CG 4.37Å; E498-Y551 HydrophobicContact CB-CD1 4.44Å; E498-Y551 HydrophobicContact CB-CG 4.48Å; E498-Y551 WeakPolarHBondContact OE2-CB 3.42Å; E498-Y551 PolarHBondContact OE2-N 3.08Å; F499-Y551 HydrophobicContact CE1-CD1 4.49Å; F499-Y551 HydrophobicContact CE1-CE1 4.07Å; F499-Y551 HydrophobicContact CZ-CD1 4.26Å; F499-Y551 AromaticContact CZ-CE1 3.78Å; F499-Y551 HydrophobicContact CZ-CE1 3.78Å; M528-Y551 WeakPolarHBondContact CA-OH 3.29Å; M528-Y551 HydrophobicContact CB-CE2 3.8Å; M528-Y551 HydrophobicContact CE-CD1 3.95Å; M528-Y551 HydrophobicContact CE-CD2 3.78Å; M528-Y551 HydrophobicContact CE-CE1 3.86Å; M528-Y551 HydrophobicContact CE-CE2 3.73Å; M528-Y551 HydrophobicContact CE-CG 3.9Å; M528-Y551 HydrophobicContact CG-CE2 4.32Å; M528-Y551 PolarHBondContact O-OH 2.74Å; L532-Y551 HydrophobicContact CD1-CD2 3.64Å; L532-Y551 HydrophobicContact CD1-CE2 3.55Å; L532-Y551 HydrophobicContact CD2-CE2 4.21Å; L532-Y551 HydrophobicContact CG-CD2 4.37Å; L532-Y551 HydrophobicContact CG-CE2 3.81Å; Y551-T553 PolarHBondContact O-N 2.83Å; Y551-I555 HydrophobicContact CD1-CD1 4.02Å; Y551-I555 HydrophobicContact CE1-CB 4.44Å; Y551-I555 HydrophobicContact CE1-CD1 3.3Å; Y551-I555 HydrophobicContact CE1-CG1 4.39Å; Y551-I555 HydrophobicContact CE2-CD1 4.33Å; Y551-I555 VanDerWaalsContact CZ-CD1 3.48Å; Y551-L560 HydrophobicContact CE1-CD1 4.46Å
552	P	92.5	Very high	93.1	Very high	42 Å²	42	45.8 Å²	45.8	27%	0.273	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-61.5	133.4	-174.4	-24.9	34	0	0	0	113.7	L532 L547 I555	L532-P552 HydrophobicContact CD2-CG 3.78Å; L547-P552 HydrophobicContact CD1-CG 3.63Å; P552-I555 HydrophobicContact CB-CD1 3.88Å; P552-I555 HydrophobicContact CB-CG1 4.37Å; P552-I555 HydrophobicContact CG-CD1 4.18Å; P552-I555 WeakPolarHBondContact O-CD1 3.28Å
553	T	87.5	Confident	93.1	Very high	138 Å²	138	42.2 Å²	42.2	85%	0.847	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	142.4	174.2	60.8	0	0	0	0	111.6	Y551	Y551-T553 PolarHBondContact O-N 2.83Å
554	G	83.2	Confident	93.1	Very high	70 Å²	70	38.3 Å²	38.3	72%	0.722	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.7	12.7	174.6	0	0	0	0	0	114.9
555	I	88.8	Confident	93	Very high	16 Å²	16	38.3 Å²	38.3	8%	0.082	22%	0.224	C	C	.	.			trans	-67.1	137.8	166.4	-68	169.3	0	0	0	108.7	R531 L532 Y551 P552 V557 L560	R531-I555 HydrophobicContact CG-CD1 4.33Å; R531-I555 HydrophobicContact CG-CG2 4.18Å; L532-I555 HydrophobicContact CD2-CD1 4.34Å; Y551-I555 HydrophobicContact CD1-CD1 4.02Å; Y551-I555 HydrophobicContact CE1-CB 4.44Å; Y551-I555 HydrophobicContact CE1-CD1 3.3Å; Y551-I555 HydrophobicContact CE1-CG1 4.39Å; Y551-I555 HydrophobicContact CE2-CD1 4.33Å; Y551-I555 VanDerWaalsContact CZ-CD1 3.48Å; P552-I555 HydrophobicContact CB-CD1 3.88Å; P552-I555 HydrophobicContact CB-CG1 4.37Å; P552-I555 HydrophobicContact CG-CD1 4.18Å; P552-I555 WeakPolarHBondContact O-CD1 3.28Å; I555-V557 PolarHBondContact O-N 2.89Å; I555-V557 VanDerWaalsContact O-N 3.15Å; I555-L560 HydrophobicContact CG2-CD1 3.74Å; I555-L560 HydrophobicContact CG2-CD2 4.11Å; I555-L560 HydrophobicContact CG2-CG 3.87Å
556	D	90.9	Very high	93	Very high	53 Å²	53	38.3 Å²	38.3	28%	0.283	22%	0.223	S	C	.	.			trans	-69.2	109.9	174.5	179.4	16.8	0	0	0	110.3	T558 Y559 L560 F692	D556-T558 PolarHBondContact O-N 3.24Å; D556-T558 WeakPolarHBondContact OD1-CB 3.31Å; D556-T558 PolarHBondContact OD1-N 2.92Å; D556-T558 PolarHBondContact OD1-OG1 3.35Å; D556-Y559 WeakPolarHBondContact O-CB 3.34Å; D556-Y559 PolarHBondContact O-N 2.79Å; D556-Y559 PolarHBondContact OD2-N 3.46Å; D556-L560 PolarHBondContact O-N 3.3Å; D556-F692 HydrophobicContact CB-CZ 4.4Å
557	V	93.2	Very high	92.9	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.018	21%	0.206	C	C	.	.	H	α-helix	trans	-67.1	-27.6	179.2	-177.9	0	0	0	0	111.6	F499 D503 Y506 I507 I555 L560 V561	F499-V557 HydrophobicContact CD1-CG2 3.62Å; F499-V557 HydrophobicContact CE1-CG2 3.68Å; D503-V557 HydrophobicContact CB-CG2 3.8Å; Y506-V557 HydrophobicContact CD1-CB 4.48Å; Y506-V557 HydrophobicContact CD1-CG1 3.79Å; Y506-V557 HydrophobicContact CE1-CG1 4.2Å; I507-V557 HydrophobicContact CD1-CG1 3.71Å; I507-V557 HydrophobicContact CG1-CG1 3.44Å; I507-V557 VanDerWaalsContact CG1-CG1 3.44Å; I555-V557 PolarHBondContact O-N 2.89Å; I555-V557 VanDerWaalsContact O-N 3.15Å; V557-L560 PolarHBondContact O-N 3.4Å; V557-V561 HydrophobicContact CG1-CG2 4.39Å; V557-V561 WeakPolarHBondContact O-CG2 3.46Å; V557-V561 PolarHBondContact O-N 2.91Å
558	T	93.5	Very high	92.8	Very high	49 Å²	49	35.9 Å²	35.9	30%	0.301	21%	0.205	S	C	.	.	H	α-helix	trans	-61.2	-50.7	175.1	-37.5	0	0	0	0	109.8	D556 L560 V561 Y562	D556-T558 PolarHBondContact O-N 3.24Å; D556-T558 WeakPolarHBondContact OD1-CB 3.31Å; D556-T558 PolarHBondContact OD1-N 2.92Å; D556-T558 PolarHBondContact OD1-OG1 3.35Å; T558-L560 VanDerWaalsContact C-N 3.3Å; T558-L560 PolarHBondContact O-N 3.04Å; T558-V561 PolarHBondContact O-N 2.82Å; T558-Y562 HydrophobicContact CG2-CD2 3.87Å; T558-Y562 HydrophobicContact CG2-CE2 3.75Å; T558-Y562 VanDerWaalsContact O-CD2 3.32Å; T558-Y562 WeakPolarHBondContact O-CD2 3.33Å; T558-Y562 PolarHBondContact O-N 2.7Å
559	Y	93.8	Very high	92.5	Very high	31 Å²	31	40.8 Å²	40.8	12%	0.122	23%	0.227	C	C	.	.	H	α-helix	trans	-53.5	-46.1	172.8	172.2	-91.5	0	0	0	112.2	D556 V561 Y562 M563 P576 N578	D556-Y559 WeakPolarHBondContact O-CB 3.34Å; D556-Y559 PolarHBondContact O-N 2.79Å; D556-Y559 PolarHBondContact OD2-N 3.46Å; Y559-V561 PolarHBondContact O-N 2.76Å; Y559-Y562 PolarHBondContact O-N 3.29Å; Y559-M563 HydrophobicContact CE1-CB 4.45Å; Y559-M563 VanDerWaalsContact O-CB 3.27Å; Y559-M563 WeakPolarHBondContact O-CB 3.19Å; Y559-M563 PolarHBondContact O-N 3.41Å; Y559-P576 HydrophobicContact CD2-CB 3.93Å; Y559-P576 HydrophobicContact CD2-CG 3.97Å; Y559-P576 HydrophobicContact CE2-CB 4.02Å; Y559-P576 HydrophobicContact CE2-CG 3.78Å; Y559-N578 HydrophobicContact CE2-CB 4.09Å
560	L	95.6	Very high	92.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.4	-42.9	179.9	-65.1	178.3	0	0	0	112.3	F499 M524 S527 M528 R531 Y551 I555 D556 V557 T558 M563 A564	F499-L560 HydrophobicContact CE1-CD1 3.8Å; F499-L560 HydrophobicContact CZ-CD1 3.55Å; M524-L560 HydrophobicContact CE-CB 3.79Å; M524-L560 HydrophobicContact CE-CD1 4.16Å; M524-L560 HydrophobicContact SD-CB 4.39Å; S527-L560 WeakPolarHBondContact CB-O 3.3Å; S527-L560 WeakPolarHBondContact OG-CA 3.35Å; S527-L560 PolarHBondContact OG-O 3.25Å; M528-L560 HydrophobicContact CG-CD1 4.05Å; M528-L560 HydrophobicContact CG-CD2 4.49Å; R531-L560 HydrophobicContact CB-CD2 3.81Å; R531-L560 HydrophobicContact CG-CD2 4.11Å; Y551-L560 HydrophobicContact CE1-CD1 4.46Å; I555-L560 HydrophobicContact CG2-CD1 3.74Å; I555-L560 HydrophobicContact CG2-CD2 4.11Å; I555-L560 HydrophobicContact CG2-CG 3.87Å; D556-L560 PolarHBondContact O-N 3.3Å; V557-L560 PolarHBondContact O-N 3.4Å; T558-L560 VanDerWaalsContact C-N 3.3Å; T558-L560 PolarHBondContact O-N 3.04Å; L560-M563 PolarHBondContact O-N 2.86Å; L560-A564 VanDerWaalsContact O-CB 3.32Å; L560-A564 WeakPolarHBondContact O-CB 3.12Å; L560-A564 PolarHBondContact O-N 3.48Å
561	V	95	Very high	92	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	24%	0.238	C	C	.	.	H	α-helix	trans	-64.2	-48.6	177.9	168.3	0	0	0	0	111	Y506 C510 V557 T558 Y559 M563 A564 L565	Y506-V561 HydrophobicContact CD1-CG2 4.28Å; Y506-V561 HydrophobicContact CE1-CB 4.22Å; Y506-V561 HydrophobicContact CE1-CG2 3.7Å; C510-V561 HydrophobicContact CB-CG1 4.22Å; V557-V561 HydrophobicContact CG1-CG2 4.39Å; V557-V561 WeakPolarHBondContact O-CG2 3.46Å; V557-V561 PolarHBondContact O-N 2.91Å; T558-V561 PolarHBondContact O-N 2.82Å; Y559-V561 PolarHBondContact O-N 2.76Å; V561-M563 VanDerWaalsContact C-N 3.33Å; V561-M563 PolarHBondContact O-N 3Å; V561-A564 PolarHBondContact O-N 3.2Å; V561-L565 HydrophobicContact CG1-CD1 3.98Å; V561-L565 HydrophobicContact CG1-CG 4.47Å; V561-L565 WeakPolarHBondContact O-CB 3.42Å; V561-L565 WeakPolarHBondContact O-CG 3.32Å; V561-L565 PolarHBondContact O-N 3.16Å
562	Y	94.4	Very high	91.7	Very high	60 Å²	60	46.8 Å²	46.8	24%	0.235	26%	0.264	C	S	.	.	H	α-helix	trans	-65.4	-36	178.7	-82.4	-82	0	0	0	112.5	I138 H139 T558 Y559 L565 H566	I138-Y562 HydrophobicContact CG2-CE1 4.45Å; H139-Y562 PolarHBondContact CD2-OH 2.69Å; H139-Y562 PolarHBondContact NE2-OH 2.67Å; T558-Y562 HydrophobicContact CG2-CD2 3.87Å; T558-Y562 HydrophobicContact CG2-CE2 3.75Å; T558-Y562 VanDerWaalsContact O-CD2 3.32Å; T558-Y562 WeakPolarHBondContact O-CD2 3.33Å; T558-Y562 PolarHBondContact O-N 2.7Å; Y559-Y562 PolarHBondContact O-N 3.29Å; Y562-L565 HydrophobicContact CD1-CD1 4.45Å; Y562-L565 PolarHBondContact O-N 2.67Å; Y562-H566 WeakPolarHBondContact O-CB 2.99Å; Y562-H566 PolarHBondContact O-N 2.99Å
563	M	94.8	Very high	91.4	Very high	14 Å²	14	47.2 Å²	47.2	7%	0.069	26%	0.261	C	S	.	.	H	α-helix	trans	-66.2	-41.9	173.9	-177	65.1	-174.4	0	0	110.8	S527 L530 Y559 L560 V561 L565 H566 L567 K575 P576	S527-M563 WeakPolarHBondContact OG-CB 3.44Å; L530-M563 HydrophobicContact CD1-CE 3.73Å; Y559-M563 HydrophobicContact CE1-CB 4.45Å; Y559-M563 VanDerWaalsContact O-CB 3.27Å; Y559-M563 WeakPolarHBondContact O-CB 3.19Å; Y559-M563 PolarHBondContact O-N 3.41Å; L560-M563 PolarHBondContact O-N 2.86Å; V561-M563 VanDerWaalsContact C-N 3.33Å; V561-M563 PolarHBondContact O-N 3Å; M563-L565 PolarHBondContact O-N 3.42Å; M563-H566 PolarHBondContact O-N 3.15Å; M563-L567 HydrophobicContact CE-CD1 4.31Å; M563-L567 HydrophobicContact CE-CD2 4.12Å; M563-L567 HydrophobicContact CE-CG 4.24Å; M563-L567 HydrophobicContact CG-CD1 4.32Å; M563-L567 WeakPolarHBondContact O-CG 3.38Å; M563-L567 PolarHBondContact O-N 2.8Å; M563-K575 HydrophobicContact SD-CG 4.24Å; M563-P576 HydrophobicContact CB-CG 3.83Å; M563-P576 HydrophobicContact SD-CG 4.2Å
564	A	96	Very high	91.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.6	-39.7	174.4	0	0	0	0	0	112.3	F520 Y523 M524 L560 V561 L567 Y568	F520-A564 HydrophobicContact CE1-CB 4.15Å; F520-A564 HydrophobicContact CE2-CB 3.87Å; F520-A564 HydrophobicContact CZ-CB 3.41Å; F520-A564 VanDerWaalsContact CZ-CB 3.41Å; Y523-A564 WeakPolarHBondContact O-CB 3.49Å; M524-A564 HydrophobicContact CB-CB 4.42Å; M524-A564 HydrophobicContact SD-CB 4.23Å; L560-A564 VanDerWaalsContact O-CB 3.32Å; L560-A564 WeakPolarHBondContact O-CB 3.12Å; L560-A564 PolarHBondContact O-N 3.48Å; V561-A564 PolarHBondContact O-N 3.2Å; A564-L567 PolarHBondContact O-N 2.77Å; A564-Y568 WeakPolarHBondContact O-CB 3.44Å; A564-Y568 PolarHBondContact O-N 3.45Å
565	L	93.4	Very high	91.7	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-62.8	-42.8	174.5	-77.7	169.3	0	0	0	112.2	I138 I514 F520 V561 Y562 M563 Y568 K569 Y573	I138-L565 HydrophobicContact CB-CD1 4.48Å; I138-L565 HydrophobicContact CD1-CD1 4.25Å; I138-L565 HydrophobicContact CD1-CD2 4.2Å; I138-L565 HydrophobicContact CG1-CD1 4.23Å; I138-L565 HydrophobicContact CG2-CD1 3.52Å; I514-L565 HydrophobicContact CD1-CD2 3.48Å; I514-L565 VanDerWaalsContact CD1-CD2 3.48Å; I514-L565 HydrophobicContact CD1-CG 4.43Å; I514-L565 HydrophobicContact CG1-CD2 4.23Å; F520-L565 HydrophobicContact CE2-CD2 4.04Å; F520-L565 HydrophobicContact CE2-CG 4.25Å; F520-L565 HydrophobicContact CZ-CD2 4.13Å; F520-L565 HydrophobicContact CZ-CG 4Å; V561-L565 HydrophobicContact CG1-CD1 3.98Å; V561-L565 HydrophobicContact CG1-CG 4.47Å; V561-L565 WeakPolarHBondContact O-CB 3.42Å; V561-L565 WeakPolarHBondContact O-CG 3.32Å; V561-L565 PolarHBondContact O-N 3.16Å; Y562-L565 HydrophobicContact CD1-CD1 4.45Å; Y562-L565 PolarHBondContact O-N 2.67Å; M563-L565 PolarHBondContact O-N 3.42Å; L565-Y568 PolarHBondContact O-N 3.39Å; L565-K569 PolarHBondContact O-N 2.7Å; L565-Y573 HydrophobicContact CB-CD1 4.02Å; L565-Y573 HydrophobicContact CB-CD2 3.83Å; L565-Y573 HydrophobicContact CB-CE1 4.42Å; L565-Y573 HydrophobicContact CB-CE2 4.25Å; L565-Y573 HydrophobicContact CB-CG 3.71Å; L565-Y573 HydrophobicContact CD1-CD1 4.13Å; L565-Y573 HydrophobicContact CD1-CE1 3.96Å; L565-Y573 HydrophobicContact CD2-CD2 4.28Å; L565-Y573 HydrophobicContact CD2-CE1 4.32Å; L565-Y573 HydrophobicContact CD2-CE2 3.84Å; L565-Y573 HydrophobicContact CG-CE1 4.48Å
566	H	93.9	Very high	91.6	Very high	40 Å²	40	51 Å²	51	19%	0.185	26%	0.255	C	S	.	.	H	α-helix	trans	-61.2	-43.4	173.3	173.7	67.2	0	0	0	111.9	Y562 M563 Y568 K569 P570 Y573 K575	Y562-H566 WeakPolarHBondContact O-CB 2.99Å; Y562-H566 PolarHBondContact O-N 2.99Å; M563-H566 PolarHBondContact O-N 3.15Å; H566-Y568 VanDerWaalsContact C-N 3.31Å; H566-Y568 PolarHBondContact O-N 3Å; H566-K569 CarbonylContact O-C 3.52Å; H566-P570 WeakPolarHBondContact O-CA 3.47Å; H566-P570 WeakPolarHBondContact O-CB 3.46Å; H566-P570 VanDerWaalsContact O-CD 3.28Å; H566-P570 WeakPolarHBondContact O-CD 3.44Å; H566-Y573 PolarHBondContact ND1-O 3.08Å; H566-K575 PolarHBondContact ND1-N 3.43Å
567	L	93.3	Very high	90.8	Very high	8 Å²	8	53.3 Å²	53.3	4%	0.042	28%	0.275	C	S	.	.	H	α-helix	trans	-66.2	-34.6	177.1	-64.9	166	0	0	0	112.2	H468 Y523 L526 L530 M563 A564	H468-L567 VanDerWaalsContact CE1-CD2 3.45Å; H468-L567 WeakPolarHBondContact CE1-CD2 3.49Å; H468-L567 WeakPolarHBondContact ND1-CD2 2.97Å; Y523-L567 HydrophobicContact CD1-CB 3.83Å; Y523-L567 WeakPolarHBondContact CE1-O 3.17Å; L526-L567 HydrophobicContact CB-CD1 4.26Å; L526-L567 HydrophobicContact CD2-CD1 3.86Å; L526-L567 HydrophobicContact CD2-CD2 4.14Å; L526-L567 HydrophobicContact CD2-CG 4.49Å; L526-L567 HydrophobicContact CG-CD1 3.93Å; L530-L567 HydrophobicContact CD1-CD1 3.99Å; L530-L567 HydrophobicContact CD1-CD2 4.15Å; M563-L567 HydrophobicContact CE-CD1 4.31Å; M563-L567 HydrophobicContact CE-CD2 4.12Å; M563-L567 HydrophobicContact CE-CG 4.24Å; M563-L567 HydrophobicContact CG-CD1 4.32Å; M563-L567 WeakPolarHBondContact O-CG 3.38Å; M563-L567 PolarHBondContact O-N 2.8Å; A564-L567 PolarHBondContact O-N 2.77Å
568	Y	92.5	Very high	89.4	Confident	39 Å²	39	54.2 Å²	54.2	15%	0.153	28%	0.28	C	S	.	.	H	α-helix	trans	-77.5	-44.8	-179.5	-178.9	-127.7	0	0	0	113.2	I514 N515 F520 Y523 A564 L565 H566	I514-Y568 HydrophobicContact CG2-CD1 3.78Å; I514-Y568 HydrophobicContact CG2-CE1 3.29Å; N515-Y568 PolarHBondContact ND2-OH 3.47Å; N515-Y568 VanDerWaalsContact OD1-CZ 3.29Å; N515-Y568 PolarHBondContact OD1-OH 3.34Å; F520-Y568 HydrophobicContact CD2-CD1 4.08Å; F520-Y568 HydrophobicContact CD2-CG 4.1Å; F520-Y568 HydrophobicContact CE2-CD1 4.47Å; F520-Y568 HydrophobicContact CE2-CG 4.47Å; Y523-Y568 HydrophobicContact CD1-CD2 4.48Å; Y523-Y568 AromaticContact CD2-CD2 3.57Å; Y523-Y568 HydrophobicContact CD2-CD2 3.57Å; Y523-Y568 HydrophobicContact CD2-CE2 4.36Å; Y523-Y568 HydrophobicContact CD2-CG 4.17Å; Y523-Y568 HydrophobicContact CE1-CD2 4.23Å; Y523-Y568 AromaticContact CE2-CD2 3.3Å; Y523-Y568 HydrophobicContact CE2-CD2 3.3Å; Y523-Y568 AromaticContact CE2-CE2 3.89Å; Y523-Y568 HydrophobicContact CE2-CE2 3.89Å; Y523-Y568 HydrophobicContact CE2-CG 4.29Å; Y523-Y568 HydrophobicContact CG-CD2 4.16Å; Y523-Y568 HydrophobicContact CG-CG 4.41Å; Y523-Y568 AromaticContact CZ-CD2 3.64Å; A564-Y568 WeakPolarHBondContact O-CB 3.44Å; A564-Y568 PolarHBondContact O-N 3.45Å; L565-Y568 PolarHBondContact O-N 3.39Å; H566-Y568 VanDerWaalsContact C-N 3.31Å; H566-Y568 PolarHBondContact O-N 3Å
569	K	90.1	Very high	87.5	Confident	103 Å²	103	54.2 Å²	54.2	45%	0.448	28%	0.278	S	S	.	.			trans	-136.9	77.2	-179.3	-71.7	-177.1	178.6	180	0	110.4	L565 H566 H571 S572 Y573	L565-K569 PolarHBondContact O-N 2.7Å; H566-K569 CarbonylContact O-C 3.52Å; K569-H571 PolarHBondContact O-N 2.9Å; K569-H571 VanDerWaalsContact O-N 3.16Å; K569-S572 PolarHBondContact O-N 3.05Å; K569-Y573 HydrophobicContact CB-CD2 4.03Å; K569-Y573 HydrophobicContact CB-CE2 4.24Å; K569-Y573 PolarHBondContact O-N 3.29Å; K569-Y573 VanDerWaalsContact O-N 3.15Å
570	P	88.8	Confident	85.5	Confident	57 Å²	57	55.1 Å²	55.1	37%	0.37	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-28.4	-173.6	8.6	-15.4	0	0	0	113.9	H566 S572	H566-P570 WeakPolarHBondContact O-CA 3.47Å; H566-P570 WeakPolarHBondContact O-CB 3.46Å; H566-P570 VanDerWaalsContact O-CD 3.28Å; H566-P570 WeakPolarHBondContact O-CD 3.44Å; P570-S572 VanDerWaalsContact C-N 3.34Å
571	H	86.6	Confident	83.2	Confident	172 Å²	172	58.4 Å²	58.4	80%	0.796	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-19.5	177.1	-57.1	-59.1	0	0	0	114	K569	K569-H571 PolarHBondContact O-N 2.9Å; K569-H571 VanDerWaalsContact O-N 3.16Å
572	S	86.8	Confident	80.4	Confident	85 Å²	85	65.1 Å²	65.1	59%	0.594	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-22.3	-178.5	-55.1	0	0	0	0	112.8	K569 P570	K569-S572 PolarHBondContact O-N 3.05Å; P570-S572 VanDerWaalsContact C-N 3.34Å
573	Y	88	Confident	77.5	Confident	52 Å²	52	66.7 Å²	66.7	20%	0.204	33%	0.331	C	S	.	.	S	Bend	trans	-132.6	120.3	-176	-59.1	-83.2	0	0	0	110.5	I138 L565 H566 K569	I138-Y573 HydrophobicContact CD1-CE1 4.43Å; I138-Y573 WeakPolarHBondContact CD1-OH 3.47Å; L565-Y573 HydrophobicContact CB-CD1 4.02Å; L565-Y573 HydrophobicContact CB-CD2 3.83Å; L565-Y573 HydrophobicContact CB-CE1 4.42Å; L565-Y573 HydrophobicContact CB-CE2 4.25Å; L565-Y573 HydrophobicContact CB-CG 3.71Å; L565-Y573 HydrophobicContact CD1-CD1 4.13Å; L565-Y573 HydrophobicContact CD1-CE1 3.96Å; L565-Y573 HydrophobicContact CD2-CD2 4.28Å; L565-Y573 HydrophobicContact CD2-CE1 4.32Å; L565-Y573 HydrophobicContact CD2-CE2 3.84Å; L565-Y573 HydrophobicContact CG-CE1 4.48Å; H566-Y573 PolarHBondContact ND1-O 3.08Å; K569-Y573 HydrophobicContact CB-CD2 4.03Å; K569-Y573 HydrophobicContact CB-CE2 4.24Å; K569-Y573 PolarHBondContact O-N 3.29Å; K569-Y573 VanDerWaalsContact O-N 3.15Å
574	N	87.5	Confident	74.7	Confident	149 Å²	149	69 Å²	69	80%	0.797	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-65.7	148.2	174.5	-66.7	-23.6	0	0	0	110.6
575	K	87.9	Confident	71.7	Confident	127 Å²	127	73.5 Å²	73.5	55%	0.552	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-61.6	125.2	174.1	-171.8	179.3	176	-173.5	0	109	M563 H566	M563-K575 HydrophobicContact SD-CG 4.24Å; H566-K575 PolarHBondContact ND1-N 3.43Å
576	P	87.9	Confident	68.7	Low	26 Å²	26	78.5 Å²	78.5	17%	0.169	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-67.6	137.4	177.7	27.7	-34	0	0	0	110.3	Y559 M563 N578	Y559-P576 HydrophobicContact CD2-CB 3.93Å; Y559-P576 HydrophobicContact CD2-CG 3.97Å; Y559-P576 HydrophobicContact CE2-CB 4.02Å; Y559-P576 HydrophobicContact CE2-CG 3.78Å; M563-P576 HydrophobicContact CB-CG 3.83Å; M563-P576 HydrophobicContact SD-CG 4.2Å; P576-N578 PolarHBondContact O-N 2.83Å; P576-N578 VanDerWaalsContact O-N 3.15Å
577	S	74.7	Confident	65.9	Low	102 Å²	102	82.3 Å²	82.3	71%	0.713	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-62.2	117.2	174	-57	0	0	0	0	109.7	I579	S577-I579 PolarHBondContact O-N 3.21Å; S577-I579 VanDerWaalsContact O-N 3.16Å
578	N	63.4	Low	63.2	Low	22 Å²	22	85.7 Å²	85.7	12%	0.118	44%	0.436	C	S	.	.			trans	-76.1	106.6	179.1	-174.6	10.4	0	0	0	108.9	Y559 P576 Y580 D581	Y559-N578 HydrophobicContact CE2-CB 4.09Å; P576-N578 PolarHBondContact O-N 2.83Å; P576-N578 VanDerWaalsContact O-N 3.15Å; N578-Y580 PolarHBondContact O-N 2.86Å; N578-Y580 VanDerWaalsContact OD1-CB 3.24Å; N578-Y580 WeakPolarHBondContact OD1-CB 3.33Å; N578-Y580 WeakPolarHBondContact OD1-CD2 3.28Å; N578-Y580 PolarHBondContact OD1-N 3.4Å; N578-D581 HydrophobicContact CB-CB 4.2Å; N578-D581 WeakPolarHBondContact CB-OD2 3.34Å; N578-D581 PolarHBondContact ND2-OD1 3.44Å; N578-D581 WeakPolarHBondContact O-CB 3.31Å; N578-D581 PolarHBondContact O-N 3.21Å
579	I	52.7	Low	60.7	Low	49 Å²	49	88.9 Å²	88.9	25%	0.251	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-23.1	172.2	-68.5	169.6	0	0	0	111	S577 Y695	S577-I579 PolarHBondContact O-N 3.21Å; S577-I579 VanDerWaalsContact O-N 3.16Å; I579-Y695 HydrophobicContact CD1-CD1 3.91Å; I579-Y695 HydrophobicContact CD1-CE1 4.46Å; I579-Y695 HydrophobicContact CD1-CG 3.93Å; I579-Y695 HydrophobicContact CG1-CD1 3.82Å; I579-Y695 HydrophobicContact CG1-CD2 4.39Å; I579-Y695 HydrophobicContact CG1-CE1 3.86Å; I579-Y695 HydrophobicContact CG1-CE2 4.42Å; I579-Y695 HydrophobicContact CG1-CG 4.09Å
580	Y	52.1	Low	58.1	Low	50 Å²	50	87.7 Å²	87.7	20%	0.196	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-15.9	178.7	-53.1	-76.2	0	0	0	114.4	R531 N578 Y582 Y583 F688	R531-Y580 VanDerWaalsContact NH2-CD1 3.31Å; R531-Y580 VanDerWaalsContact NH2-CD2 3.26Å; N578-Y580 PolarHBondContact O-N 2.86Å; N578-Y580 VanDerWaalsContact OD1-CB 3.24Å; N578-Y580 WeakPolarHBondContact OD1-CB 3.33Å; N578-Y580 WeakPolarHBondContact OD1-CD2 3.28Å; N578-Y580 PolarHBondContact OD1-N 3.4Å; Y580-Y582 PolarHBondContact O-N 3.27Å; Y580-Y583 PolarHBondContact O-N 3.21Å; Y580-F688 HydrophobicContact CE1-CE1 4.23Å
581	D	47	Very low	55.6	Low	69 Å²	69	92.6 Å²	92.6	37%	0.369	47%	0.472	S	S	.	.	H	α-helix	trans	-67.4	-29.6	173.5	-71.9	-8.5	0	0	0	110.9	N578 Y583 S584 I585	N578-D581 HydrophobicContact CB-CB 4.2Å; N578-D581 WeakPolarHBondContact CB-OD2 3.34Å; N578-D581 PolarHBondContact ND2-OD1 3.44Å; N578-D581 WeakPolarHBondContact O-CB 3.31Å; N578-D581 PolarHBondContact O-N 3.21Å; D581-Y583 VanDerWaalsContact C-N 3.28Å; D581-Y583 PolarHBondContact O-N 3.1Å; D581-S584 WeakPolarHBondContact CA-OG 2.94Å; D581-S584 PolarHBondContact O-N 2.63Å; D581-S584 PolarHBondContact O-OG 2.98Å; D581-I585 PolarHBondContact O-N 3.38Å
582	Y	36.2	Very low	53	Low	142 Å²	142	86.9 Å²	86.9	56%	0.557	46%	0.46	S	S	*	.	H	α-helix	trans	-64.8	-30.4	176.1	-131	-97.5	0	0	0	112.7	Y580 F586	Y580-Y582 PolarHBondContact O-N 3.27Å; Y582-F586 AromaticContact CD1-CD2 3.64Å; Y582-F586 HydrophobicContact CD1-CD2 3.64Å; Y582-F586 AromaticContact CD1-CE2 3.83Å; Y582-F586 HydrophobicContact CD1-CE2 3.83Å; Y582-F586 AromaticContact CE1-CD2 3.73Å; Y582-F586 HydrophobicContact CE1-CD2 3.73Å; Y582-F586 AromaticContact CE1-CE2 3.4Å; Y582-F586 HydrophobicContact CE1-CE2 3.4Å; Y582-F586 VanDerWaalsContact CE1-CE2 3.4Å; Y582-F586 WeakPolarHBondContact O-CB 3.45Å; Y582-F586 PolarHBondContact O-N 3.04Å
583	Y	34.7	Very low	50.5	Low	93 Å²	93	90 Å²	90	37%	0.365	47%	0.47	S	S	.	.	H	α-helix	trans	-77.1	-32.4	179.8	-85.6	-82.1	0	0	0	112.9	Y580 D581 H587 F688 I691	Y580-Y583 PolarHBondContact O-N 3.21Å; D581-Y583 VanDerWaalsContact C-N 3.28Å; D581-Y583 PolarHBondContact O-N 3.1Å; Y583-H587 WeakPolarHBondContact O-CB 3.18Å; Y583-H587 PolarHBondContact O-N 3.19Å; Y583-F688 HydrophobicContact CE2-CE1 4.3Å; Y583-I691 VanDerWaalsContact OH-CD1 3.28Å; Y583-I691 WeakPolarHBondContact OH-CD1 3.3Å
584	S	35	Very low	47.8	Very low	63 Å²	63	94.9 Å²	94.9	44%	0.441	50%	0.499	S	S	.	.	H	α-helix	trans	-64.9	-43.1	171	21.4	0	0	0	0	111.5	D581 S588	D581-S584 WeakPolarHBondContact CA-OG 2.94Å; D581-S584 PolarHBondContact O-N 2.63Å; D581-S584 PolarHBondContact O-OG 2.98Å; S584-S588 PolarHBondContact O-N 3.33Å; S584-S588 VanDerWaalsContact O-N 3.11Å; S584-S588 PolarHBondContact O-OG 3.31Å
585	I	33.4	Very low	45.2	Very low	95 Å²	95	95.3 Å²	95.3	49%	0.487	50%	0.502	S	S	.	.	H	α-helix	trans	-71.1	-42.5	-179.7	-64.4	169.6	0	0	0	111	D581 S588 I589	D581-I585 PolarHBondContact O-N 3.38Å; I585-S588 VanDerWaalsContact CA-OG 3.31Å; I585-S588 WeakPolarHBondContact CA-OG 3.34Å; I585-S588 PolarHBondContact O-N 3.4Å; I585-S588 PolarHBondContact O-OG 3.02Å; I585-I589 HydrophobicContact CG2-CD1 3.56Å; I585-I589 HydrophobicContact CG2-CG1 4.4Å; I585-I589 WeakPolarHBondContact O-CB 3.24Å; I585-I589 WeakPolarHBondContact O-CD1 3.46Å; I585-I589 WeakPolarHBondContact O-CG1 3.23Å; I585-I589 PolarHBondContact O-N 3Å
586	F	30.6	Very low	42.6	Very low	105 Å²	105	96.9 Å²	96.9	46%	0.461	52%	0.516	S	S	.	.	H	α-helix	trans	-66.9	-38.4	176.3	-104.2	-95.6	0	0	0	112.7	Y582 S588 I589 T590	Y582-F586 AromaticContact CD1-CD2 3.64Å; Y582-F586 HydrophobicContact CD1-CD2 3.64Å; Y582-F586 AromaticContact CD1-CE2 3.83Å; Y582-F586 HydrophobicContact CD1-CE2 3.83Å; Y582-F586 AromaticContact CE1-CD2 3.73Å; Y582-F586 HydrophobicContact CE1-CD2 3.73Å; Y582-F586 AromaticContact CE1-CE2 3.4Å; Y582-F586 HydrophobicContact CE1-CE2 3.4Å; Y582-F586 VanDerWaalsContact CE1-CE2 3.4Å; Y582-F586 WeakPolarHBondContact O-CB 3.45Å; Y582-F586 PolarHBondContact O-N 3.04Å; F586-S588 VanDerWaalsContact C-N 3.34Å; F586-I589 PolarHBondContact O-N 3.5Å; F586-T590 HydrophobicContact CD1-CG2 4.12Å; F586-T590 WeakPolarHBondContact O-CB 3.48Å; F586-T590 VanDerWaalsContact O-CG2 3.27Å; F586-T590 WeakPolarHBondContact O-CG2 3.32Å; F586-T590 PolarHBondContact O-N 3.39Å; F586-T590 PolarHBondContact O-OG1 3.32Å
587	H	35.4	Very low	39.8	Very low	120 Å²	120	103 Å²	103	56%	0.556	55%	0.547	S	S	*	.	H	α-helix	trans	-67.6	-32.7	174.6	-103.8	27.9	0	0	0	113.2	Y583 I589 F591	Y583-H587 WeakPolarHBondContact O-CB 3.18Å; Y583-H587 PolarHBondContact O-N 3.19Å; H587-I589 VanDerWaalsContact C-N 3.34Å; H587-F591 AromaticContact CE1-CE2 3.65Å; H587-F591 AromaticContact ND1-CE2 3.86Å; H587-F591 AromaticContact NE2-CE2 3.92Å; H587-F591 WeakPolarHBondContact O-CB 3.31Å; H587-F591 PolarHBondContact O-N 3.13Å
588	S	36.8	Very low	37.7	Very low	80 Å²	80	104.9 Å²	104.9	56%	0.559	55%	0.549	S	S	*	.	H	α-helix	trans	-71.3	-28.9	172.2	47.6	0	0	0	0	113.1	S584 I585 F586	S584-S588 PolarHBondContact O-N 3.33Å; S584-S588 VanDerWaalsContact O-N 3.11Å; S584-S588 PolarHBondContact O-OG 3.31Å; I585-S588 VanDerWaalsContact CA-OG 3.31Å; I585-S588 WeakPolarHBondContact CA-OG 3.34Å; I585-S588 PolarHBondContact O-N 3.4Å; I585-S588 PolarHBondContact O-OG 3.02Å; F586-S588 VanDerWaalsContact C-N 3.34Å
589	I	38.9	Very low	36.2	Very low	106 Å²	106	110 Å²	110	54%	0.544	58%	0.577	S	S	.	*	H	α-helix	trans	-83.2	-32.4	177.7	-65.8	166.9	0	0	0	111.6	I585 F586 H587	I585-I589 HydrophobicContact CG2-CD1 3.56Å; I585-I589 HydrophobicContact CG2-CG1 4.4Å; I585-I589 WeakPolarHBondContact O-CB 3.24Å; I585-I589 WeakPolarHBondContact O-CD1 3.46Å; I585-I589 WeakPolarHBondContact O-CG1 3.23Å; I585-I589 PolarHBondContact O-N 3Å; F586-I589 PolarHBondContact O-N 3.5Å; H587-I589 VanDerWaalsContact C-N 3.34Å
590	T	36.5	Very low	35.3	Very low	78 Å²	78	113.8 Å²	113.8	48%	0.479	60%	0.598	S	S	.	*	H	α-helix	trans	-91.7	-6.9	-175.9	61.9	0	0	0	0	114.8	F586	F586-T590 HydrophobicContact CD1-CG2 4.12Å; F586-T590 WeakPolarHBondContact O-CB 3.48Å; F586-T590 VanDerWaalsContact O-CG2 3.27Å; F586-T590 WeakPolarHBondContact O-CG2 3.32Å; F586-T590 PolarHBondContact O-N 3.39Å; F586-T590 PolarHBondContact O-OG1 3.32Å
591	F	35.7	Very low	34.3	Very low	159 Å²	159	117.7 Å²	117.7	70%	0.697	62%	0.622	S	S	*	*	S	Bend	trans	-124.4	18.3	177.8	-72.6	-78.6	0	0	0	112.5	H587	H587-F591 AromaticContact CE1-CE2 3.65Å; H587-F591 AromaticContact ND1-CE2 3.86Å; H587-F591 AromaticContact NE2-CE2 3.92Å; H587-F591 WeakPolarHBondContact O-CB 3.31Å; H587-F591 PolarHBondContact O-N 3.13Å
592	G	33.2	Very low	33.6	Very low	53 Å²	53	120.7 Å²	120.7	55%	0.546	64%	0.638	S	S	.	*	S	Bend	trans	-102.4	-4.2	-175	0	0	0	0	0	116.6
593	D	33.3	Very low	33.5	Very low	151 Å²	151	120 Å²	120	81%	0.807	64%	0.644	S	S	*	*	S	Bend	trans	-128.6	10.2	-168.6	-75.7	-29.7	0	0	0	115.8
594	D	30.8	Very low	33.5	Very low	153 Å²	153	121.5 Å²	121.5	82%	0.818	66%	0.658	S	S	*	*			trans	-113.6	66.9	179.2	-76.6	-30.1	0	0	0	111.4
595	D	34	Very low	33.4	Very low	159 Å²	159	124.4 Å²	124.4	85%	0.85	67%	0.669	S	S	*	*	S	Bend	trans	-154.4	125.5	156	-92.8	-33.4	0	0	0	111.9
596	N	32.7	Very low	33.4	Very low	159 Å²	159	125.7 Å²	125.7	85%	0.85	68%	0.676	S	S	*	*			trans	82.8	70.8	167.2	-67.9	-23.7	0	0	0	120.2
597	N	29	Very low	33.6	Very low	155 Å²	155	127 Å²	127	83%	0.829	69%	0.688	S	S	*	*			trans	-70.6	107.4	144	-160	11.4	0	0	0	110.2
598	N	30.8	Very low	33.4	Very low	141 Å²	141	127 Å²	127	75%	0.754	70%	0.696	S	S	*	*			trans	-178	138.1	138.6	-103.5	-22.5	0	0	0	114.4
599	N	31.7	Very low	33.1	Very low	130 Å²	130	129.6 Å²	129.6	70%	0.695	71%	0.709	S	S	*	*			trans	92.4	100.6	156.5	-66.6	-16.1	0	0	0	120
600	N	33.5	Very low	32.6	Very low	129 Å²	129	132 Å²	132	69%	0.69	72%	0.723	S	S	*	*				98.4	103.1	123.5	-71.3	-17.2	0	0	0	119.1
601	N	31	Very low	32.4	Very low	132 Å²	132	133.8 Å²	133.8	71%	0.706	74%	0.739	S	S	*	*				52.6	104.3	123.2	-67.5	-10.1	0	0	0	117.6
602	N	33.6	Very low	31.9	Very low	131 Å²	131	135.6 Å²	135.6	70%	0.701	75%	0.746	S	S	*	*				164.4	131	90.8	-97	-24.7	0	0	0	111.4
603	N	33.6	Very low	31.7	Very low	128 Å²	128	139 Å²	139	68%	0.684	76%	0.757	S	S	*	*			trans	49.3	108.9	135.6	-65.6	-9.8	0	0	0	118.5
604	N	34.1	Very low	31.4	Very low	124 Å²	124	138.6 Å²	138.6	66%	0.663	76%	0.755	S	S	*	*				156.4	129.3	77.6	-103.9	-13.6	0	0	0	110.4
605	N	32.8	Very low	31.5	Very low	125 Å²	125	139.4 Å²	139.4	67%	0.668	76%	0.759	S	S	*	*			trans	52.9	126.2	131.3	-65	-4.6	0	0	0	117.6
606	N	34	Very low	31.3	Very low	121 Å²	121	139.3 Å²	139.3	65%	0.647	76%	0.757	S	S	*	*			cis	176	150.8	35.1	-107.5	-10.5	0	0	0	110
607	N	34	Very low	31.4	Very low	132 Å²	132	136.4 Å²	136.4	71%	0.706	75%	0.747	S	S	*	*			trans	77.9	105.7	146.7	-57.8	-13.6	0	0	0	119.2
608	V	30.8	Very low	31.3	Very low	120 Å²	120	136 Å²	136	73%	0.727	75%	0.745	S	S	*	*				71.5	118.8	68	178.6	0	0	0	0	109.4
609	T	31.5	Very low	31.1	Very low	136 Å²	136	136.3 Å²	136.3	83%	0.834	75%	0.746	S	S	*	*				-170.9	157.1	53.5	-2.7	0	0	0	0	112.8
610	N	27.3	Very low	30.9	Very low	157 Å²	157	136 Å²	136	84%	0.84	75%	0.749	S	S	*	*			trans	-72.3	155.1	173.8	-73.2	-44.9	0	0	0	116.6
611	S	32.2	Very low	30.4	Very low	114 Å²	114	133.4 Å²	133.4	80%	0.797	75%	0.753	S	S	*	*				174.1	117.2	126.5	49.5	0	0	0	0	110.2
612	K	26.1	Very low	30.1	Very low	198 Å²	198	133 Å²	133	86%	0.861	76%	0.759	S	S	*	*				37.5	119.1	82.9	-78.1	-174	179.9	177.5	0	112
613	T	29.1	Very low	29.6	Very low	124 Å²	124	131.6 Å²	131.6	76%	0.761	76%	0.759	S	S	*	*			cis	-169.3	153.4	49.5	39	0	0	0	0	112.2
614	N	27.1	Very low	29.3	Very low	143 Å²	143	130.8 Å²	130.8	77%	0.765	76%	0.764	S	S	*	*			trans	-0.2	135.6	154.9	-55	-18.7	0	0	0	120.5
615	D	33	Very low	28.9	Very low	169 Å²	169	131.2 Å²	131.2	90%	0.904	77%	0.766	S	S	*	*				-166.6	138.5	122.2	-83.6	-30.4	0	0	0	111.1
616	I	30.6	Very low	28.7	Very low	157 Å²	157	132.5 Å²	132.5	81%	0.805	77%	0.773	S	S	*	*			trans	-98.5	168.8	179.2	-70.5	170.5	0	0	0	107.4
617	P	34.7	Very low	28.2	Very low	99 Å²	99	133 Å²	133	64%	0.643	78%	0.775	S	S	*	*			cis	-138.4	177.2	10.2	14.5	14.5	0	0	0	118.7
618	D	25.8	Very low	28	Very low	147 Å²	147	136.8 Å²	136.8	79%	0.786	78%	0.781	S	S	*	*			trans	54.6	109	142.1	-57.8	-16.3	0	0	0	121.8
619	N	27.7	Very low	27.6	Very low	146 Å²	146	136.5 Å²	136.5	78%	0.781	78%	0.775	S	S	*	*				-171.9	132.9	118.5	-116.5	-15.8	0	0	0	113.6
620	T	26.3	Very low	27.5	Very low	125 Å²	125	140.4 Å²	140.4	77%	0.767	78%	0.776	S	S	*	*			trans	52	121	141.7	57.6	0	0	0	0	121.8
621	G	24.1	Very low	27.4	Very low	74 Å²	74	138.8 Å²	138.8	76%	0.763	77%	0.768	S	S	*	*			trans	104.6	142.4	131.2	0	0	0	0	0	117.7
622	C	23.9	Very low	27.3	Very low	124 Å²	124	139.5 Å²	139.5	84%	0.838	77%	0.767	S	S	*	*			trans	84.1	107.4	162.8	-76.4	0	0	0	0	120.1
623	S	22.8	Very low	27.3	Very low	101 Å²	101	139.2 Å²	139.2	71%	0.706	77%	0.766	S	S	*	*				50.4	108.3	110.2	159.8	0	0	0	0	117.9
624	S	28.1	Very low	27.1	Very low	111 Å²	111	139.4 Å²	139.4	78%	0.776	77%	0.767	S	S	*	*			trans	-154.5	93	155	-33	0	0	0	0	106.8
625	N	24.3	Very low	27.2	Very low	132 Å²	132	139.3 Å²	139.3	71%	0.706	77%	0.772	S	S	*	*				35	96.5	88	-84.5	-4.3	0	0	0	113.7
626	D	28.9	Very low	26.8	Very low	153 Å²	153	138.2 Å²	138.2	82%	0.818	77%	0.766	S	S	*	*			trans	-132.5	87.2	147.4	-84	-34.3	0	0	0	108.3
627	N	24.6	Very low	26.7	Very low	130 Å²	130	138.1 Å²	138.1	70%	0.695	77%	0.767	S	S	*	*			trans	-72.1	120.6	163.9	-89.2	-22.7	0	0	0	108.6
628	Y	28.5	Very low	26.4	Very low	213 Å²	213	139 Å²	139	84%	0.835	77%	0.767	S	S	*	*			trans	-117.3	88.5	149.4	-80	-78.1	0	0	0	108.2
629	N	23.7	Very low	26.4	Very low	113 Å²	113	139.9 Å²	139.9	60%	0.604	76%	0.763	S	S	*	*			trans	-71.4	126.5	167.4	-120.2	15.8	0	0	0	108.6	D631	N629-D631 PolarHBondContact ND2-OD2 3.35Å
630	Y	29.3	Very low	26.5	Very low	218 Å²	218	140.5 Å²	140.5	86%	0.855	77%	0.767	S	S	*	*			trans	-118	84.9	151.2	-92.6	-82.3	0	0	0	107.2
631	D	25.2	Very low	26.4	Very low	123 Å²	123	141.9 Å²	141.9	66%	0.658	77%	0.769	S	S	*	*			trans	-76.3	121.3	161.3	-84.2	-41.1	0	0	0	108	N629	N629-D631 PolarHBondContact ND2-OD2 3.35Å
632	V	29.2	Very low	26.5	Very low	130 Å²	130	142.9 Å²	142.9	79%	0.788	77%	0.765	S	S	*	*			trans	-111.8	97.5	161.7	178.6	0	0	0	0	107.1
633	K	27.4	Very low	26.8	Very low	192 Å²	192	143.7 Å²	143.7	84%	0.835	76%	0.761	S	S	*	*			trans	-82.3	126.4	163	-82	-178.4	177.9	175.1	0	109
634	T	24.2	Very low	27	Very low	128 Å²	128	144.6 Å²	144.6	79%	0.785	76%	0.762	S	S	*	*			trans	-68.2	129.7	167.4	36.5	0	0	0	0	111.1
635	T	29.4	Very low	26.9	Very low	140 Å²	140	145.7 Å²	145.7	86%	0.859	76%	0.759	S	S	*	*			trans	-147.1	120.2	149.2	47.8	0	0	0	0	109.6
636	N	24.3	Very low	27.1	Very low	147 Å²	147	146.9 Å²	146.9	79%	0.786	77%	0.765	S	S	*	*			trans	-58.4	145.6	170.7	-67.4	-33.6	0	0	0	112
637	N	28.6	Very low	27.1	Very low	155 Å²	155	146.4 Å²	146.4	83%	0.829	76%	0.761	S	S	*	*			trans	-171.6	102.4	130.8	-93.3	-15.3	0	0	0	110.5
638	D	27.6	Very low	27.1	Very low	118 Å²	118	147.8 Å²	147.8	63%	0.631	77%	0.768	S	S	*	*				36	123.4	129	-80	12.9	0	0	0	121.7
639	K	27.1	Very low	27.1	Very low	165 Å²	165	146.6 Å²	146.6	72%	0.717	77%	0.768	S	S	*	*			trans	74.1	112.9	130.8	-64.9	175.9	-178.5	120.2	0	118.7
640	N	28.3	Very low	27.3	Very low	158 Å²	158	148.6 Å²	148.6	85%	0.845	78%	0.777	S	S	*	*				178.2	141.5	99.8	-84	-33.2	0	0	0	111.6
641	D	25	Very low	27.3	Very low	154 Å²	154	145.3 Å²	145.3	82%	0.824	77%	0.772	S	S	*	*			trans	-60.8	149.1	176.6	-61.9	-58.8	0	0	0	114.3
642	S	27	Very low	27.3	Very low	96 Å²	96	146.6 Å²	146.6	67%	0.671	78%	0.779	S	S	*	*				155.8	150.5	115.4	69.7	0	0	0	0	113.3
643	D	29.7	Very low	27.2	Very low	141 Å²	141	147.6 Å²	147.6	75%	0.754	78%	0.779	S	S	*	*			trans	84.8	93.7	162	-43.8	-37.7	0	0	0	116.1
644	V	26.2	Very low	27.2	Very low	120 Å²	120	146.3 Å²	146.3	73%	0.727	78%	0.776	S	S	*	*				58.9	115.6	65	-174.4	0	0	0	0	114.1
645	D	26.2	Very low	27.5	Very low	134 Å²	134	146.6 Å²	146.6	72%	0.717	77%	0.772	S	S	*	*			trans	63.2	110.2	159.1	-58.5	-20.3	0	0	0	119.6
646	N	27.9	Very low	27.3	Very low	156 Å²	156	144.6 Å²	144.6	83%	0.834	76%	0.764	S	S	*	*				168.5	157	111.2	-88.9	-58.4	0	0	0	112.5
647	I	29.8	Very low	27.5	Very low	143 Å²	143	149.1 Å²	149.1	73%	0.733	77%	0.772	S	S	*	*			trans	110.9	65	157.6	-49.7	162.8	0	0	0	114.5
648	D	24.7	Very low	27.6	Very low	159 Å²	159	146.2 Å²	146.2	85%	0.85	76%	0.764	S	S	*	*				-62.6	145.8	124.8	-88.7	-38.3	0	0	0	110
649	K	27.7	Very low	27.5	Very low	189 Å²	189	147.8 Å²	147.8	82%	0.822	77%	0.772	S	S	*	*			trans	102.1	105.5	176.5	-63.5	171.6	179.6	171.4	0	114.6
650	I	28.7	Very low	27.6	Very low	155 Å²	155	145 Å²	145	80%	0.795	77%	0.774	S	S	*	*			trans	172.9	120.5	144.5	-91	154.9	0	0	0	104
651	I	29.6	Very low	27.5	Very low	148 Å²	148	144.3 Å²	144.3	76%	0.759	77%	0.77	S	S	*	*			cis	-159.8	129.7	11.5	-92.1	165.4	0	0	0	106
652	N	24.5	Very low	27.7	Very low	151 Å²	151	143 Å²	143	81%	0.807	76%	0.763	S	S	*	*			trans	-82.4	170.8	160.4	-95.2	-28.3	0	0	0	109.3
653	I	27.7	Very low	27.6	Very low	151 Å²	151	145.1 Å²	145.1	77%	0.774	77%	0.767	S	S	*	*			trans	103	100.1	174	-52	155	0	0	0	108.9
654	E	27.4	Very low	27.5	Very low	165 Å²	165	144.4 Å²	144.4	77%	0.771	77%	0.767	S	S	*	*				-174.4	156.3	73.1	-76.6	-174.4	163.4	0	0	107.5
655	N	29.3	Very low	27.5	Very low	133 Å²	133	147.1 Å²	147.1	71%	0.711	77%	0.769	S	S	*	*			cis	-159.4	143.6	-1.3	-105.9	-34.1	0	0	0	107.3
656	S	25.3	Very low	27.4	Very low	99 Å²	99	147.1 Å²	147.1	69%	0.692	77%	0.769	S	S	*	*			trans	-54.3	138	174.3	47.7	0	0	0	0	115.5
657	Y	29.5	Very low	27.3	Very low	241 Å²	241	146.6 Å²	146.6	95%	0.945	77%	0.766	S	S	*	*			trans	-138.8	136.2	136.2	-90.8	-78.2	0	0	0	110
658	S	29.7	Very low	27.1	Very low	94 Å²	94	145.5 Å²	145.5	66%	0.657	77%	0.769	S	S	*	*			trans	-85.6	147.5	-152.8	47.5	0	0	0	0	116.4
659	D	25.9	Very low	27.3	Very low	151 Å²	151	145.3 Å²	145.3	81%	0.807	77%	0.766	S	S	*	*			trans	41.8	120.6	133.7	-59.8	-25.2	0	0	0	120.5
660	S	29.5	Very low	27.1	Very low	107 Å²	107	140.7 Å²	140.7	75%	0.748	76%	0.758	S	S	*	*				166.3	119.3	89	44.2	0	0	0	0	113.4
661	N	26.2	Very low	27	Very low	144 Å²	144	138.3 Å²	138.3	77%	0.77	75%	0.754	S	S	*	*			trans	55.3	123.7	132.6	-74.9	-15.6	0	0	0	124.1
662	N	28.6	Very low	26.8	Very low	126 Å²	126	138.5 Å²	138.5	67%	0.674	76%	0.756	S	S	*	*				98.6	104.4	126.4	-72.3	-18.1	0	0	0	120.6
663	N	25.5	Very low	27	Very low	141 Å²	141	137 Å²	137	75%	0.754	76%	0.755	S	S	*	*				63.7	122.2	121.2	-73	-20.3	0	0	0	120.2
664	V	28.4	Very low	27.3	Very low	125 Å²	125	132.8 Å²	132.8	76%	0.758	74%	0.739	S	S	*	*				139.7	106.8	121.6	177.6	0	0	0	0	112.7
665	K	25.1	Very low	27.4	Very low	177 Å²	177	131 Å²	131	77%	0.77	73%	0.734	S	S	*	*			trans	52.1	129.3	136	-64.9	-178.9	177.9	177.8	0	122.6
666	N	24.5	Very low	27.5	Very low	134 Å²	134	128.2 Å²	128.2	72%	0.717	73%	0.725	S	S	*	*			trans	73.2	104.9	134.1	-62.1	-0.8	0	0	0	119.6
667	N	26.6	Very low	27.9	Very low	146 Å²	146	128.4 Å²	128.4	78%	0.781	72%	0.718	S	S	*	*				159.5	154.1	99.6	-97.1	-10	0	0	0	112.1
668	P	25.8	Very low	28.1	Very low	120 Å²	120	124.4 Å²	124.4	78%	0.779	71%	0.706	S	S	*	*			trans	-86.3	136.3	-160.1	34.2	-32.1	0	0	0	111.9
669	I	27.7	Very low	28.3	Very low	155 Å²	155	123.5 Å²	123.5	80%	0.795	69%	0.693	S	S	*	*			trans	-126.3	108.1	173.2	-60.5	179.1	0	0	0	110
670	S	24.5	Very low	28.7	Very low	92 Å²	92	122.8 Å²	122.8	64%	0.643	68%	0.683	S	S	*	*			trans	-8.4	144.3	146.3	52.6	0	0	0	0	119.5
671	S	25.7	Very low	28.9	Very low	104 Å²	104	120.6 Å²	120.6	73%	0.727	67%	0.667	S	S	*	*			trans	80.3	100.4	149.1	72.6	0	0	0	0	118.5
672	L	26	Very low	29.2	Very low	152 Å²	152	122.4 Å²	122.4	80%	0.796	67%	0.668	S	S	*	*			trans	-131.9	107.8	160.2	-111.8	102	0	0	0	111.3
673	P	27.5	Very low	29.7	Very low	121 Å²	121	121.9 Å²	121.9	79%	0.786	66%	0.664	S	S	*	*			trans	-112.3	96	154.3	31	-17.9	0	0	0	109.4
674	S	34	Very low	30.1	Very low	62 Å²	62	123.3 Å²	123.3	43%	0.434	66%	0.664	S	S	.	*			trans	-155.6	1.1	172.6	70.6	0	0	0	0	119.4
675	L	30.2	Very low	30.3	Very low	127 Å²	127	124.1 Å²	124.1	67%	0.665	66%	0.664	S	S	*	*	H	α-helix	trans	-77.3	-33.4	175.8	-92.8	109.2	0	0	0	114.2	N677 K678 L679	L675-N677 PolarHBondContact O-N 3.03Å; L675-K678 PolarHBondContact O-N 3.45Å; L675-L679 PolarHBondContact O-N 3.11Å
676	S	31.5	Very low	30.6	Very low	74 Å²	74	117.8 Å²	117.8	52%	0.517	64%	0.644	S	S	.	*	H	α-helix	trans	-67.3	-22.5	-178.7	71.3	0	0	0	0	113.7	K680	S676-K680 WeakPolarHBondContact O-CG 3.19Å; S676-K680 PolarHBondContact O-N 3.07Å
677	N	33.6	Very low	30.8	Very low	104 Å²	104	122 Å²	122	56%	0.556	65%	0.65	S	S	*	*	H	α-helix	trans	-85.6	-29.9	178	-70.6	-26.2	0	0	0	112.5	L675 S681	L675-N677 PolarHBondContact O-N 3.03Å; N677-S681 PolarHBondContact O-N 3.1Å; N677-S681 PolarHBondContact O-OG 3.46Å
678	K	34	Very low	31.1	Very low	157 Å²	157	119.1 Å²	119.1	68%	0.683	63%	0.631	S	S	*	*	H	α-helix	trans	-70.9	-33.1	173.6	-95	179.3	175.2	177	0	112.8	L675 S681 K682	L675-K678 PolarHBondContact O-N 3.45Å; K678-S681 PolarHBondContact O-OG 3.43Å; K678-S681 VanDerWaalsContact O-OG 3.05Å; K678-K682 PolarHBondContact O-N 2.76Å
679	L	33.3	Very low	31.4	Very low	74 Å²	74	117.6 Å²	117.6	39%	0.387	62%	0.623	S	S	.	*	H	α-helix	trans	-72	-38.8	174.5	-94.4	149.6	0	0	0	112.5	L675 S681 I683	L675-L679 PolarHBondContact O-N 3.11Å; L679-S681 VanDerWaalsContact C-N 3.33Å; L679-S681 PolarHBondContact O-N 3.08Å; L679-I683 HydrophobicContact CD2-CD1 4.49Å; L679-I683 WeakPolarHBondContact O-CG1 3.42Å; L679-I683 PolarHBondContact O-N 3.41Å
680	K	34.6	Very low	31.6	Very low	137 Å²	137	116.1 Å²	116.1	60%	0.596	62%	0.617	S	S	*	*	H	α-helix	trans	-66.5	-30	176.6	-77.7	173.8	-177.7	167.5	0	113.6	S676 K684	S676-K680 WeakPolarHBondContact O-CG 3.19Å; S676-K680 PolarHBondContact O-N 3.07Å; K680-K684 WeakPolarHBondContact O-CB 3.36Å; K680-K684 PolarHBondContact O-N 3.44Å
681	S	33.4	Very low	32	Very low	61 Å²	61	115.1 Å²	115.1	43%	0.427	60%	0.604	S	S	.	*	H	α-helix	trans	-79.7	-35.6	178.3	62.8	0	0	0	0	112.9	N677 K678 L679	N677-S681 PolarHBondContact O-N 3.1Å; N677-S681 PolarHBondContact O-OG 3.46Å; K678-S681 PolarHBondContact O-OG 3.43Å; K678-S681 VanDerWaalsContact O-OG 3.05Å; L679-S681 VanDerWaalsContact C-N 3.33Å; L679-S681 PolarHBondContact O-N 3.08Å
682	K	32.3	Very low	32.1	Very low	181 Å²	181	114.8 Å²	114.8	79%	0.787	59%	0.589	S	S	*	*	H	α-helix	trans	-69.5	-34.4	175.7	-78.1	-172.3	173.7	-174.1	0	113.3	K678	K678-K682 PolarHBondContact O-N 2.76Å
683	I	38.5	Very low	32.2	Very low	115 Å²	115	110.4 Å²	110.4	59%	0.59	57%	0.567	S	S	*	*	H	α-helix	trans	-79	-26.3	179.8	-63.5	169.7	0	0	0	112.2	L679	L679-I683 HydrophobicContact CD2-CD1 4.49Å; L679-I683 WeakPolarHBondContact O-CG1 3.42Å; L679-I683 PolarHBondContact O-N 3.41Å
684	K	35.4	Very low	32.3	Very low	171 Å²	171	107.5 Å²	107.5	74%	0.743	55%	0.549	S	S	*	.	H	α-helix	trans	-75.4	-19.9	-180	-100	-177.1	171.6	-174.1	0	115.1	K680	K680-K684 WeakPolarHBondContact O-CB 3.36Å; K680-K684 PolarHBondContact O-N 3.44Å
685	N	31.4	Very low	32	Very low	142 Å²	142	109 Å²	109	76%	0.759	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-0.4	-172.5	-77.8	-4.1	0	0	0	114.7
686	A	31.9	Very low	32	Very low	44 Å²	44	109 Å²	109	36%	0.364	54%	0.537	S	S	.	.	S	Bend	trans	-84.1	127.3	171.9	0	0	0	0	0	110.1	F688	A686-F688 HydrophobicContact CB-CD2 3.47Å; A686-F688 VanDerWaalsContact CB-CD2 3.47Å; A686-F688 HydrophobicContact CB-CE2 3.17Å; A686-F688 HydrophobicContact CB-CG 4.48Å; A686-F688 HydrophobicContact CB-CZ 3.95Å; A686-F688 VanDerWaalsContact O-CD2 3.27Å; A686-F688 WeakPolarHBondContact O-CD2 3.36Å; A686-F688 PolarHBondContact O-N 3.5Å
687	R	28.4	Very low	32.1	Very low	224 Å²	224	112.6 Å²	112.6	85%	0.845	55%	0.546	S	S	*	.			trans	-63.5	57.8	-176.5	-68.4	176.1	174.5	160.7	-2.5	113.7	S689	R687-S689 PolarHBondContact O-N 3.21Å
688	F	34.5	Very low	32	Very low	85 Å²	85	115.9 Å²	115.9	37%	0.373	56%	0.555	S	S	.	*	H	α-helix	trans	-78.3	-10.5	-171.5	-79.6	-67.1	0	0	0	115.2	Y580 Y583 A686	Y580-F688 HydrophobicContact CE1-CE1 4.23Å; Y583-F688 HydrophobicContact CE2-CE1 4.3Å; A686-F688 HydrophobicContact CB-CD2 3.47Å; A686-F688 VanDerWaalsContact CB-CD2 3.47Å; A686-F688 HydrophobicContact CB-CE2 3.17Å; A686-F688 HydrophobicContact CB-CG 4.48Å; A686-F688 HydrophobicContact CB-CZ 3.95Å; A686-F688 VanDerWaalsContact O-CD2 3.27Å; A686-F688 WeakPolarHBondContact O-CD2 3.36Å; A686-F688 PolarHBondContact O-N 3.5Å
689	S	31.8	Very low	31.7	Very low	87 Å²	87	112.7 Å²	112.7	61%	0.608	55%	0.549	S	S	*	.	H	α-helix	trans	-80.8	-23	-173.5	58.7	0	0	0	0	115.2	R687	R687-S689 PolarHBondContact O-N 3.21Å
690	N	32	Very low	31.4	Very low	125 Å²	125	117 Å²	117	67%	0.668	57%	0.572	S	S	*	*	H	α-helix	trans	-99.5	-23.1	-170.3	-69.4	2	0	0	0	113.4
691	I	32	Very low	31.3	Very low	71 Å²	71	116.4 Å²	116.4	36%	0.364	57%	0.574	S	S	.	*	H	α-helix	trans	-79.7	-28.2	179.7	-62.5	167.6	0	0	0	111.4	Y583 N693 S694 Y695	Y583-I691 VanDerWaalsContact OH-CD1 3.28Å; Y583-I691 WeakPolarHBondContact OH-CD1 3.3Å; I691-N693 PolarHBondContact O-N 3.1Å; I691-S694 PolarHBondContact O-N 3.3Å; I691-Y695 HydrophobicContact CG2-CD2 4.41Å; I691-Y695 PolarHBondContact O-N 3.26Å
692	F	27.9	Very low	30.9	Very low	96 Å²	96	120.6 Å²	120.6	42%	0.421	59%	0.592	S	S	.	*	H	α-helix	trans	-61.3	-24.8	179.3	-113.5	-84.8	0	0	0	114.3	D556	D556-F692 HydrophobicContact CB-CZ 4.4Å
693	N	29	Very low	30.8	Very low	61 Å²	61	118.1 Å²	118.1	33%	0.326	59%	0.587	S	S	.	*	H	α-helix	trans	-85.8	-31.2	178.4	-63	-32.3	0	0	0	112.1	I691	I691-N693 PolarHBondContact O-N 3.1Å
694	S	28.3	Very low	30.3	Very low	60 Å²	60	118.4 Å²	118.4	42%	0.42	60%	0.597	S	S	.	*	H	α-helix	trans	-79.6	-27.4	-176.6	-177	0	0	0	0	113.4	I691	I691-S694 PolarHBondContact O-N 3.3Å
695	Y	28.1	Very low	30	Very low	93 Å²	93	116.3 Å²	116.3	37%	0.365	59%	0.592	S	S	.	*	S	Bend	trans	-76.9	-22.5	177.3	-114.8	-91.1	0	0	0	113.4	I579 I691 E697	I579-Y695 HydrophobicContact CD1-CD1 3.91Å; I579-Y695 HydrophobicContact CD1-CE1 4.46Å; I579-Y695 HydrophobicContact CD1-CG 3.93Å; I579-Y695 HydrophobicContact CG1-CD1 3.82Å; I579-Y695 HydrophobicContact CG1-CD2 4.39Å; I579-Y695 HydrophobicContact CG1-CE1 3.86Å; I579-Y695 HydrophobicContact CG1-CE2 4.42Å; I579-Y695 HydrophobicContact CG1-CG 4.09Å; I691-Y695 HydrophobicContact CG2-CD2 4.41Å; I691-Y695 PolarHBondContact O-N 3.26Å; Y695-E697 VanDerWaalsContact C-N 3.3Å
696	R	30.3	Very low	30.1	Very low	128 Å²	128	114 Å²	114	48%	0.483	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.2	-16	-178.9	-149.8	178	-170.7	163.8	4	113.3	I710	R696-I710 VanDerWaalsContact NH1-CG2 3.33Å
697	E	33.3	Very low	30	Very low	148 Å²	148	115.5 Å²	115.5	69%	0.692	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-12.4	178.6	-71.6	173.4	167.9	0	0	113.2	Y695	Y695-E697 VanDerWaalsContact C-N 3.3Å
698	K	31.6	Very low	30.1	Very low	173 Å²	173	108.8 Å²	108.8	75%	0.752	57%	0.569	S	S	*	*	S	Bend	trans	-101.7	-2.9	-174.3	-72.6	-173.7	177.1	-176.1	0	115.2
699	T	28.9	Very low	30.1	Very low	90 Å²	90	108.8 Å²	108.8	55%	0.552	57%	0.573	S	S	*	*	S	Bend	trans	-98	104.2	171.4	55	0	0	0	0	108.8	I701	T699-I701 VanDerWaalsContact C-N 3.25Å; T699-I701 PolarHBondContact O-N 3.39Å
700	N	26.2	Very low	30.2	Very low	164 Å²	164	107.9 Å²	107.9	88%	0.877	56%	0.561	S	S	*	*			trans	-58.1	82.2	171.2	-101.1	-9.2	0	0	0	111.1
701	I	32	Very low	30.2	Very low	126 Å²	126	104 Å²	104	65%	0.646	54%	0.54	S	S	*	.			trans	-127	96.6	164.4	-58.9	176.8	0	0	0	105.2	T699 N703	T699-I701 VanDerWaalsContact C-N 3.25Å; T699-I701 PolarHBondContact O-N 3.39Å; I701-N703 PolarHBondContact O-N 3.42Å; I701-N703 VanDerWaalsContact O-N 3.1Å
702	D	25.8	Very low	30.2	Very low	148 Å²	148	107.9 Å²	107.9	79%	0.791	55%	0.554	S	S	*	*			trans	-54.8	112.5	171.8	-65.7	-48.3	0	0	0	109.4
703	N	29.9	Very low	30.5	Very low	130 Å²	130	108.9 Å²	108.9	70%	0.695	56%	0.555	S	S	*	*			trans	-162.6	131	151.2	-101.4	-32.4	0	0	0	112.7	I701 I705	I701-N703 PolarHBondContact O-N 3.42Å; I701-N703 VanDerWaalsContact O-N 3.1Å; N703-I705 PolarHBondContact O-N 3.4Å
704	P	27.7	Very low	30.6	Very low	121 Å²	121	109.6 Å²	109.6	79%	0.786	57%	0.565	S	S	*	*			trans	-88	89	-173.5	35.7	-31.9	0	0	0	110.3
705	I	30.2	Very low	30.7	Very low	127 Å²	127	112.5 Å²	112.5	65%	0.651	57%	0.57	S	S	*	*			trans	-131.9	109.6	154.7	-58.8	178.9	0	0	0	106.2	N703 N707	N703-I705 PolarHBondContact O-N 3.4Å; I705-N707 PolarHBondContact O-N 3.31Å
706	T	33.1	Very low	30.9	Very low	93 Å²	93	112.8 Å²	112.8	57%	0.571	58%	0.581	S	S	*	*			trans	-46.9	121.5	-170.1	30.3	0	0	0	0	113.4	T708 D709	T706-T708 PolarHBondContact O-N 3.27Å; T706-D709 PolarHBondContact O-N 3.19Å
707	N	28.5	Very low	30.9	Very low	75 Å²	75	115.4 Å²	115.4	40%	0.401	60%	0.596	S	S	.	*	H	α-helix	trans	-49.7	-14.5	175.9	-83.6	-42.1	0	0	0	114.7	I705 I711	I705-N707 PolarHBondContact O-N 3.31Å; N707-I711 HydrophobicContact CB-CD1 4.28Å; N707-I711 VanDerWaalsContact O-CB 3.31Å; N707-I711 WeakPolarHBondContact O-CB 3.46Å; N707-I711 VanDerWaalsContact O-CD1 3.25Å; N707-I711 WeakPolarHBondContact O-CD1 3.37Å; N707-I711 WeakPolarHBondContact O-CG1 3.36Å; N707-I711 PolarHBondContact O-N 3.44Å
708	T	31.7	Very low	30.9	Very low	84 Å²	84	116.9 Å²	116.9	52%	0.515	60%	0.601	S	S	.	*	H	α-helix	trans	-69.3	-32.2	178.1	47.1	0	0	0	0	114.1	T706 K712	T706-T708 PolarHBondContact O-N 3.27Å; T708-K712 WeakPolarHBondContact O-CG 3.3Å; T708-K712 PolarHBondContact O-N 2.59Å
709	D	33.6	Very low	30.8	Very low	84 Å²	84	115.8 Å²	115.8	45%	0.449	60%	0.603	S	S	.	*	H	α-helix	trans	-86.9	-26.5	-174.4	-61.1	-42.9	0	0	0	112.7	T706 R713	T706-D709 PolarHBondContact O-N 3.19Å; D709-R713 PolarHBondContact O-N 3.44Å
710	I	33.5	Very low	30.7	Very low	68 Å²	68	123.1 Å²	123.1	35%	0.349	62%	0.621	S	S	.	*	H	α-helix	trans	-81.3	-33.8	176	-54.2	174.2	0	0	0	110.8	R696 S714	R696-I710 VanDerWaalsContact NH1-CG2 3.33Å; I710-S714 PolarHBondContact O-N 3.45Å; I710-S714 PolarHBondContact O-OG 2.87Å
711	I	32.4	Very low	30.8	Very low	45 Å²	45	125 Å²	125	23%	0.231	62%	0.621	C	S	.	*	H	α-helix	trans	-77.2	-27.7	178.8	-67	171.7	0	0	0	111.9	N707 S714 K715	N707-I711 HydrophobicContact CB-CD1 4.28Å; N707-I711 VanDerWaalsContact O-CB 3.31Å; N707-I711 WeakPolarHBondContact O-CB 3.46Å; N707-I711 VanDerWaalsContact O-CD1 3.25Å; N707-I711 WeakPolarHBondContact O-CD1 3.37Å; N707-I711 WeakPolarHBondContact O-CG1 3.36Å; N707-I711 PolarHBondContact O-N 3.44Å; I711-S714 PolarHBondContact O-OG 3.2Å; I711-K715 HydrophobicContact CG2-CD 3.99Å; I711-K715 WeakPolarHBondContact O-CG 3.29Å
712	K	32.8	Very low	30.5	Very low	151 Å²	151	127.7 Å²	127.7	66%	0.657	63%	0.631	S	S	*	*	H	α-helix	trans	-72.2	-37	170.6	-79.2	177.7	179.3	173.5	0	112.6	T708 S714 K715 T716	T708-K712 WeakPolarHBondContact O-CG 3.3Å; T708-K712 PolarHBondContact O-N 2.59Å; K712-S714 PolarHBondContact O-N 2.69Å; K712-K715 PolarHBondContact O-N 3.09Å; K712-T716 WeakPolarHBondContact O-CG2 3.31Å; K712-T716 PolarHBondContact O-N 2.68Å; K712-T716 PolarHBondContact O-OG1 3.08Å
713	R	34.2	Very low	30.5	Very low	118 Å²	118	126.9 Å²	126.9	45%	0.445	63%	0.631	S	S	.	*	H	α-helix	trans	-69.7	-24.4	-178.9	-91.2	174.7	165.1	161.9	-4.7	115.3	L90 D709	L90-R713 HydrophobicContact CD2-CG 4.42Å; D709-R713 PolarHBondContact O-N 3.44Å
714	S	30.6	Very low	30.3	Very low	76 Å²	76	127.6 Å²	127.6	53%	0.531	63%	0.632	S	S	.	*	H	α-helix	trans	-94.2	-19.9	178.2	54.1	0	0	0	0	113.9	I710 I711 K712	I710-S714 PolarHBondContact O-N 3.45Å; I710-S714 PolarHBondContact O-OG 2.87Å; I711-S714 PolarHBondContact O-OG 3.2Å; K712-S714 PolarHBondContact O-N 2.69Å
715	K	31.5	Very low	30.1	Very low	120 Å²	120	129.8 Å²	129.8	52%	0.522	64%	0.637	S	S	.	*	H	α-helix	trans	-91.3	-22.9	-179.8	-72.9	178.7	178.6	173.7	0	113.9	I711 K712 F717 K718	I711-K715 HydrophobicContact CG2-CD 3.99Å; I711-K715 WeakPolarHBondContact O-CG 3.29Å; K712-K715 PolarHBondContact O-N 3.09Å; K715-F717 VanDerWaalsContact C-N 3.29Å; K715-F717 PolarHBondContact O-N 3.4Å; K715-K718 PolarHBondContact O-N 3.42Å
716	T	30.9	Very low	30	Very low	100 Å²	100	130.1 Å²	130.1	61%	0.613	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-13.3	-177.7	44.8	0	0	0	0	115	K712	K712-T716 WeakPolarHBondContact O-CG2 3.31Å; K712-T716 PolarHBondContact O-N 2.68Å; K712-T716 PolarHBondContact O-OG1 3.08Å
717	F	31.4	Very low	29.6	Very low	182 Å²	182	131.1 Å²	131.1	80%	0.798	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	-5.4	177.7	-99.9	-88.3	0	0	0	115.4	K715	K715-F717 VanDerWaalsContact C-N 3.29Å; K715-F717 PolarHBondContact O-N 3.4Å
718	K	33	Very low	29.5	Very low	180 Å²	180	137 Å²	137	78%	0.783	67%	0.669	S	S	*	*	S	Bend	trans	-98.1	-7.4	-177.1	-86.4	179.6	176.4	174.5	0	115.7	K715	K715-K718 PolarHBondContact O-N 3.42Å
719	N	28.3	Very low	29.2	Very low	149 Å²	149	143.6 Å²	143.6	80%	0.797	68%	0.684	S	S	*	*	S	Bend	trans	-109.8	19.9	-172.4	-82.7	-4.1	0	0	0	117.1
720	R	27.5	Very low	28.9	Very low	245 Å²	245	150.4 Å²	150.4	93%	0.925	70%	0.704	S	S	*	*			trans	-118.1	73.8	169.9	-80	-173.7	-179.8	175.3	1.4	111.7
721	K	29.3	Very low	28.6	Very low	203 Å²	203	152.1 Å²	152.1	88%	0.883	72%	0.722	S	S	*	*	S	Bend	trans	-153.2	15.7	165.9	-118.6	178.6	-173	-177.8	0	115.1
722	Q	25.8	Very low	28.1	Very low	182 Å²	182	157.5 Å²	157.5	85%	0.85	75%	0.75	S	S	*	*	S	Bend	trans	-131.7	147.3	169.3	-75.2	174.2	-7.6	0	0	106.4
723	V	24.9	Very low	27.8	Very low	131 Å²	131	154.2 Å²	154.2	79%	0.794	75%	0.751	S	S	*	*	S	Bend	trans	92.9	78.9	177.5	-163.9	0	0	0	0	114.3
724	M	24.8	Very low	27.4	Very low	145 Å²	145	155.9 Å²	155.9	71%	0.714	77%	0.769	S	S	*	*				153.9	86.2	115.1	-74.3	-51.6	-110.5	0	0	112	I726	M724-I726 HydrophobicContact CE-CD1 3.44Å; M724-I726 VanDerWaalsContact CE-CD1 3.44Å; M724-I726 HydrophobicContact CE-CG1 4.22Å; M724-I726 HydrophobicContact SD-CD1 4.34Å
725	D	23.3	Very low	27.2	Very low	168 Å²	168	160.4 Å²	160.4	90%	0.898	79%	0.786	S	S	*	*			trans	-77.8	109.6	147.7	-83.7	-46.4	0	0	0	107.7
726	I	28.3	Very low	26.9	Very low	134 Å²	134	159.5 Å²	159.5	69%	0.687	80%	0.801	S	S	*	*			trans	-141.9	124.3	158.1	-57.5	-176.3	0	0	0	108.1	M724	M724-I726 HydrophobicContact CE-CD1 3.44Å; M724-I726 VanDerWaalsContact CE-CD1 3.44Å; M724-I726 HydrophobicContact CE-CG1 4.22Å; M724-I726 HydrophobicContact SD-CD1 4.34Å
727	P	26.3	Very low	26.6	Very low	113 Å²	113	159.9 Å²	159.9	73%	0.734	81%	0.807	S	S	*	*			trans	-88.6	143.1	-175	33.7	-31.6	0	0	0	113.5
728	K	25.6	Very low	26.4	Very low	200 Å²	200	156.6 Å²	156.6	87%	0.87	81%	0.807	S	S	*	*			trans	41.6	137.1	144.6	-68.7	-179.3	177.7	175.3	0	121.3
729	R	25.4	Very low	26	Very low	221 Å²	221	157.5 Å²	157.5	83%	0.834	81%	0.811	S	S	*	*			trans	87.9	106.3	155.5	-75.4	-173.9	174.2	-162.3	-1	117.6
730	R	27	Very low	25.9	Very low	228 Å²	228	159.7 Å²	159.7	86%	0.86	81%	0.814	S	S	*	*				169	136.7	88.1	-104.4	164.4	-179.5	176.9	-0.2	109.3
731	S	27	Very low	25.7	Very low	104 Å²	104	153.5 Å²	153.5	73%	0.727	81%	0.808	S	S	*	*			trans	-74	153.7	168.8	59.1	0	0	0	0	111.1
732	L	23	Very low	25.6	Very low	157 Å²	157	150.7 Å²	150.7	82%	0.822	80%	0.801	S	S	*	*			trans	164.5	100.8	144.9	-89.3	151	0	0	0	104.3
733	A	25.4	Very low	25.4	Very low	83 Å²	83	151.1 Å²	151.1	69%	0.686	80%	0.803	S	S	*	*				40.5	80.5	90.6	0	0	0	0	0	110.3
734	D	25.6	Very low	25.5	Very low	153 Å²	153	151.6 Å²	151.6	82%	0.818	80%	0.799	S	S	*	*			trans	172.1	154.7	148.4	-84.9	-24.7	0	0	0	108.7
735	L	27.6	Very low	25.5	Very low	171 Å²	171	153.5 Å²	153.5	90%	0.895	80%	0.803	S	S	*	*			trans	93	45.8	177.3	-54.1	152.3	0	0	0	116.2
736	A	23.9	Very low	25.5	Very low	100 Å²	100	150.2 Å²	150.2	83%	0.826	79%	0.794	S	S	*	*			trans	-84.4	101.5	138.8	0	0	0	0	0	108.9
737	S	25.1	Very low	25.4	Very low	108 Å²	108	152 Å²	152	76%	0.755	81%	0.805	S	S	*	*			trans	162.8	113.4	150.1	55.2	0	0	0	0	110.4
738	S	26.7	Very low	25.3	Very low	114 Å²	114	154.4 Å²	154.4	80%	0.797	81%	0.806	S	S	*	*			trans	162.9	110.4	135.9	-177.5	0	0	0	0	109.8
739	K	24.8	Very low	25.5	Very low	198 Å²	198	153.7 Å²	153.7	86%	0.861	81%	0.806	S	S	*	*			trans	-60.9	135.4	163.5	-67.8	171.2	173	177.6	0	108.9
740	K	27.1	Very low	25.4	Very low	196 Å²	196	149.7 Å²	149.7	85%	0.852	80%	0.801	S	S	*	*			trans	-160.8	122.4	141.7	-111.5	166.8	-173.9	-177.8	0	111.7
741	S	22.5	Very low	25.4	Very low	114 Å²	114	146 Å²	146	80%	0.797	80%	0.797	S	S	*	*			trans	-62.5	135.8	168.8	49.4	0	0	0	0	111.3
742	I	26.9	Very low	25.2	Very low	145 Å²	145	150 Å²	150	74%	0.744	80%	0.796	S	S	*	*			trans	-132.8	110.2	162.8	-64.7	179.4	0	0	0	108.2	I744	I742-I744 HydrophobicContact CG2-CD1 3.76Å; I742-I744 HydrophobicContact CG2-CG1 3.73Å
743	H	22.6	Very low	25.3	Very low	191 Å²	191	151.8 Å²	151.8	88%	0.884	81%	0.806	S	S	*	*			trans	-82.3	122.3	163.9	-115.7	-78.3	0	0	0	108.1
744	I	26.9	Very low	25.4	Very low	140 Å²	140	151.2 Å²	151.2	72%	0.718	80%	0.797	S	S	*	*			trans	-143.2	95.1	163.4	-62	177.6	0	0	0	105.5	I742	I742-I744 HydrophobicContact CG2-CD1 3.76Å; I742-I744 HydrophobicContact CG2-CG1 3.73Å
745	K	24.5	Very low	25.5	Very low	185 Å²	185	149.4 Å²	149.4	80%	0.804	79%	0.787	S	S	*	*				67.6	97	98.9	-85.6	-172	175.9	-176.8	0	113.9
746	S	23.5	Very low	25.5	Very low	100 Å²	100	149.3 Å²	149.3	70%	0.699	79%	0.785	S	S	*	*			trans	3.3	118.9	140.9	53.2	0	0	0	0	117.3
747	N	26.6	Very low	25.4	Very low	171 Å²	171	153.2 Å²	153.2	91%	0.914	79%	0.789	S	S	*	*			trans	-126.3	117.1	141.7	-100.4	-0.7	0	0	0	107.8
748	E	24.6	Very low	25.5	Very low	163 Å²	163	155.8 Å²	155.8	76%	0.762	79%	0.792	S	S	*	*			trans	-71.2	126.2	173.4	-64.5	168.8	138.8	0	0	109.3
749	E	28.3	Very low	25.5	Very low	185 Å²	185	154.7 Å²	154.7	86%	0.864	79%	0.785	S	S	*	*			trans	-124.9	95.6	143.4	-82.8	-172.2	166.5	0	0	106.8	I751	E749-I751 PolarHBondContact O-N 3Å
750	N	24.2	Very low	25.6	Very low	137 Å²	137	151 Å²	151	73%	0.733	78%	0.779	S	S	*	*			trans	-65.1	103.2	169.2	-78.4	-49.7	0	0	0	108.8
751	I	26.8	Very low	25.6	Very low	150 Å²	150	149.8 Å²	149.8	77%	0.769	78%	0.776	S	S	*	*			trans	-100.1	116.2	157	-61	177.9	0	0	0	106.7	E749	E749-I751 PolarHBondContact O-N 3Å
752	R	23.5	Very low	26	Very low	188 Å²	188	150.2 Å²	150.2	71%	0.709	78%	0.779	S	S	*	*			trans	-64.4	138.6	-168	-72.9	176.4	163.4	178.6	-5.3	111.8	S754 D755	R752-S754 VanDerWaalsContact CB-OG 3.27Å; R752-S754 WeakPolarHBondContact CB-OG 3.27Å; R752-S754 PolarHBondContact O-N 3.36Å; R752-D755 PolarHBondContact O-N 3.03Å
753	L	25	Very low	26.1	Very low	196 Å²	196	149 Å²	149	100%	1.026	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	17.4	164.6	-87.3	152.9	0	0	0	114.1
754	S	26.9	Very low	26.5	Very low	71 Å²	71	146.7 Å²	146.7	50%	0.497	77%	0.773	S	S	.	*	T	Hydrogen-bonded Turn	trans	-112.3	-3.6	178.7	60	0	0	0	0	114.4	R752	R752-S754 VanDerWaalsContact CB-OG 3.27Å; R752-S754 WeakPolarHBondContact CB-OG 3.27Å; R752-S754 PolarHBondContact O-N 3.36Å
755	D	27.2	Very low	26.6	Very low	114 Å²	114	145.8 Å²	145.8	61%	0.61	77%	0.769	S	S	*	*	S	Bend	trans	-102.7	17.1	-170.7	-59.8	-12	0	0	0	113.8	R752	R752-D755 PolarHBondContact O-N 3.03Å
756	I	27.1	Very low	26.9	Very low	170 Å²	170	143.4 Å²	143.4	87%	0.872	77%	0.765	S	S	*	*	S	Bend	trans	-129.3	44.9	173.4	-45.2	-180	0	0	0	110.8
757	M	23.5	Very low	27.5	Very low	181 Å²	181	150 Å²	150	89%	0.892	79%	0.793	S	S	*	*			trans	-136.6	102.9	160.2	-90.6	-157.4	172.7	0	0	109.7
758	I	26.8	Very low	27.5	Very low	162 Å²	162	149 Å²	149	83%	0.831	79%	0.787	S	S	*	*			trans	-141.8	89	161.5	-63.9	-176.4	0	0	0	103.6
759	S	26.6	Very low	27.7	Very low	92 Å²	92	148.2 Å²	148.2	64%	0.643	79%	0.788	S	S	*	*				113.1	110.3	99.2	-62.8	0	0	0	0	108.5
760	T	26.4	Very low	27.6	Very low	119 Å²	119	146.2 Å²	146.2	73%	0.73	78%	0.784	S	S	*	*				44.2	127.9	74	67.3	0	0	0	0	111.1
761	E	26.7	Very low	27.8	Very low	171 Å²	171	146.7 Å²	146.7	80%	0.799	79%	0.787	S	S	*	*			cis	-174.7	150.7	22.3	-110.7	160	-177.2	0	0	105.6
762	S	31.4	Very low	27.9	Very low	123 Å²	123	146.5 Å²	146.5	86%	0.86	79%	0.788	S	S	*	*			trans	-152.8	115.9	136	53.7	0	0	0	0	109.5
763	T	28.9	Very low	28.2	Very low	119 Å²	119	143.7 Å²	143.7	73%	0.73	79%	0.793	S	S	*	*			trans	-65	141.8	172	44	0	0	0	0	111
764	N	30.5	Very low	28.4	Very low	144 Å²	144	140 Å²	140	77%	0.77	78%	0.777	S	S	*	*				-165.7	124.5	129.9	-102.4	-14.5	0	0	0	113.9
765	N	29.7	Very low	28.5	Very low	120 Å²	120	145.3 Å²	145.3	64%	0.642	80%	0.798	S	S	*	*			trans	81.2	111.6	141	-68.2	-13	0	0	0	122.3
766	N	31.1	Very low	28.7	Very low	135 Å²	135	147.9 Å²	147.9	72%	0.722	81%	0.814	S	S	*	*				72.5	92.3	126.6	-57.9	-11.6	0	0	0	118.7
767	N	35.5	Very low	28.8	Very low	239 Å²	239	145.9 Å²	145.9	100%	1.278	81%	0.809	S	S	*	*				176.6	0	90.4	-102.7	-8.1	0	0	0	110.2

Retrieved 767 of 767 residues in 945.6 ms (Link to these results)

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