A0A087XPA9_POEFO Loading...

sphingolipid 4-desaturase

AlphaFold DB , UniProt , Accession A0A087XPA9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 389 aa.

Structure Viewer

Loading PAE data...

(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	41.7	Very low	34.2	Very low	234 Å²	234	169.4 Å²	169.4	100%	1.153	82%	0.822	S	S	*	*				0	66.8	0	-161	174.9	-178.9	0	0	106.5
2	I	26.6	Very low	34.3	Very low	142 Å²	142	166.6 Å²	166.6	73%	0.728	82%	0.823	S	S	*	*				53.9	107.6	59.4	-64	-177.3	0	0	0	110.6
3	I	29.7	Very low	34.1	Very low	140 Å²	140	166.8 Å²	166.8	72%	0.718	83%	0.828	S	S	*	*			trans	86	132.2	154.4	-65.5	163.8	0	0	0	117.9
4	N	31.9	Very low	33.8	Very low	135 Å²	135	171.1 Å²	171.1	72%	0.722	83%	0.832	S	S	*	*			trans	82.9	119.3	158.2	-83.7	-12.4	0	0	0	117.2
5	I	36.5	Very low	33.5	Very low	134 Å²	134	173.1 Å²	173.1	69%	0.687	84%	0.835	S	S	*	*			cis	-151.7	103.8	28.8	-79.6	120.7	0	0	0	108.9	N7	I5-N7 HydrophobicContact CG2-CB 3.84Å
6	R	36.6	Very low	33.4	Very low	239 Å²	239	171.1 Å²	171.1	90%	0.902	84%	0.843	S	S	*	*				-34.1	111.7	113.6	-85.6	179.6	165	-171.7	-4.5	112.6
7	N	37.4	Very low	33.2	Very low	129 Å²	129	165.8 Å²	165.8	69%	0.69	83%	0.832	S	S	*	*			trans	-175.3	16.8	148	-92.1	-17.7	0	0	0	116.8	I5	I5-N7 HydrophobicContact CG2-CB 3.84Å
8	E	36.6	Very low	32.9	Very low	194 Å²	194	164.7 Å²	164.7	91%	0.907	84%	0.836	S	S	*	*	S	Bend	trans	-101.4	5.2	177	-75	-130.6	149.3	0	0	115.9
9	L	33.4	Very low	32.6	Very low	173 Å²	173	162.4 Å²	162.4	91%	0.906	84%	0.836	S	S	*	*	S	Bend	trans	-115	13.7	-179.7	-109.2	105.6	0	0	0	115.7
10	L	33.3	Very low	32.5	Very low	147 Å²	147	160.2 Å²	160.2	77%	0.77	84%	0.836	S	S	*	*	S	Bend	trans	-124.9	13.6	-175.7	-92.1	162.5	0	0	0	115.8
11	F	32.4	Very low	32.3	Very low	196 Å²	196	163.1 Å²	163.1	86%	0.86	84%	0.836	S	S	*	*	S	Bend	trans	-111.5	4	-178.8	-118.8	-90.6	0	0	0	116.8
12	T	35.4	Very low	31.7	Very low	136 Å²	136	163.1 Å²	163.1	83%	0.834	82%	0.823	S	S	*	*	S	Bend	trans	-107.6	2.4	-178.5	-39.5	0	0	0	0	114.1
13	L	31.5	Very low	31.8	Very low	169 Å²	169	161.1 Å²	161.1	89%	0.885	83%	0.828	S	S	*	*	S	Bend	trans	-115.4	20.1	-175.9	-79.8	171.8	0	0	0	116.1
14	Y	30.6	Very low	31.5	Very low	227 Å²	227	158.1 Å²	158.1	89%	0.89	83%	0.832	S	S	*	*	S	Bend	trans	-135.2	20.9	-179.2	-127.1	-92.5	0	0	0	116.8
15	K	29.4	Very low	31.4	Very low	202 Å²	202	157.9 Å²	157.9	88%	0.878	84%	0.835	S	S	*	*	S	Bend	trans	-136.2	40.2	177.9	-84.9	-169.7	177.2	-179.9	0	115.3
16	C	31.1	Very low	30.8	Very low	141 Å²	141	159.6 Å²	159.6	95%	0.953	84%	0.844	S	S	*	*	S	Bend	trans	-139.6	41.2	160.7	-155.2	0	0	0	0	112.4
17	A	29.6	Very low	30.3	Very low	80 Å²	80	156.8 Å²	156.8	66%	0.661	84%	0.843	S	S	*	*	S	Bend	trans	-131.3	129	161.7	0	0	0	0	0	106.9
18	T	27.8	Very low	29.7	Very low	147 Å²	147	162.4 Å²	162.4	90%	0.902	86%	0.855	S	S	*	*			trans	92.4	79.5	173.8	72.3	0	0	0	0	118.9
19	S	27.8	Very low	29.3	Very low	121 Å²	121	165 Å²	165	85%	0.846	86%	0.857	S	S	*	*			trans	175.3	135.7	134.7	65.3	0	0	0	0	106.6
20	S	29.7	Very low	28.9	Very low	118 Å²	118	162.4 Å²	162.4	83%	0.825	85%	0.853	S	S	*	*			cis	-157.5	152.5	24	52.2	0	0	0	0	110.5
21	R	29	Very low	28.8	Very low	221 Å²	221	160.6 Å²	160.6	83%	0.834	85%	0.85	S	S	*	*			trans	-65.2	154.3	175.3	-73.3	169	176.3	-162.2	-0.6	113.5
22	R	29.1	Very low	28.6	Very low	234 Å²	234	156.7 Å²	156.7	88%	0.883	85%	0.847	S	S	*	*			trans	61	110.1	145.3	-73.8	177.5	-176.5	-172.4	0.3	118.6
23	A	28.5	Very low	28.2	Very low	100 Å²	100	159.3 Å²	159.3	83%	0.826	85%	0.85	S	S	*	*				-139.2	110	129.8	0	0	0	0	0	107.9
24	G	24.8	Very low	28.1	Very low	78 Å²	78	157.1 Å²	157.1	80%	0.804	85%	0.845	S	S	*	*			trans	-87.4	126.5	169.9	0	0	0	0	0	108.6
25	V	28.3	Very low	28	Very low	129 Å²	129	150.8 Å²	150.8	78%	0.782	84%	0.84	S	S	*	*			trans	-117.5	111.7	166.2	176.6	0	0	0	0	107.3	M27	V25-M27 PolarHBondContact O-N 3.12Å
26	L	24	Very low	28	Very low	170 Å²	170	149.4 Å²	149.4	89%	0.89	84%	0.842	S	S	*	*			trans	-66.3	121.3	166.2	-90.9	102.6	0	0	0	108.8
27	M	27	Very low	27.9	Very low	180 Å²	180	149.8 Å²	149.8	89%	0.887	84%	0.839	S	S	*	*			trans	-114.1	126.2	152	-88	-164.6	-176.9	0	0	109.9	V25	V25-M27 PolarHBondContact O-N 3.12Å
28	R	25.3	Very low	28.2	Very low	247 Å²	247	149.4 Å²	149.4	93%	0.932	84%	0.843	S	S	*	*			trans	-63.9	139.5	-178.4	-70.8	175.4	174.7	-151.1	-1.4	110.8
29	R	26.4	Very low	28.5	Very low	249 Å²	249	146.7 Å²	146.7	94%	0.94	83%	0.826	S	S	*	*			trans	-84	147.3	162.9	-74.6	-176.7	174.1	-174.5	-2.2	110.4
30	S	25.9	Very low	28.8	Very low	118 Å²	118	144.6 Å²	144.6	83%	0.825	81%	0.809	S	S	*	*			trans	-135.3	150.4	159.6	-170.3	0	0	0	0	108.3
31	P	31.3	Very low	28.8	Very low	110 Å²	110	149.9 Å²	149.9	71%	0.714	81%	0.811	S	S	*	*			trans	-108.2	169.8	-138.5	39.2	-34.1	0	0	0	116.5
32	S	27.7	Very low	29	Very low	114 Å²	114	148.3 Å²	148.3	80%	0.797	81%	0.807	S	S	*	*			trans	92.6	109	150.8	74.1	0	0	0	0	119.5
33	Q	28.1	Very low	29.4	Very low	191 Å²	191	143.4 Å²	143.4	89%	0.893	79%	0.788	S	S	*	*				-160.6	151	118.8	-95.1	-167.2	9.1	0	0	109.3
34	P	29.1	Very low	29.4	Very low	122 Å²	122	145 Å²	145	79%	0.792	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-76.5	141.9	-159.5	28.9	-32.4	0	0	0	113.6	L36	P34-L36 PolarHBondContact O-N 3.14Å
35	A	27.3	Very low	29.7	Very low	95 Å²	95	146.3 Å²	146.3	79%	0.785	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-72.4	116.6	178.7	0	0	0	0	0	111.5	V37	A35-V37 PolarHBondContact O-N 3.36Å
36	L	31.3	Very low	30.2	Very low	172 Å²	172	146.3 Å²	146.3	90%	0.901	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-77.6	117.2	162.2	-74.9	168.2	0	0	0	109.1	P34	P34-L36 PolarHBondContact O-N 3.14Å
37	V	28.9	Very low	30.6	Very low	150 Å²	150	145.6 Å²	145.6	91%	0.909	76%	0.762	S	S	*	*	S	Bend	trans	-69.9	126.1	-179.4	177.7	0	0	0	0	109.7	A35	A35-V37 PolarHBondContact O-N 3.36Å
38	G	34.5	Very low	30.8	Very low	71 Å²	71	143.9 Å²	143.9	73%	0.732	76%	0.757	S	S	*	*			trans	136.7	7.5	158.4	0	0	0	0	0	120.5
39	V	34.7	Very low	31	Very low	90 Å²	90	139 Å²	139	55%	0.545	76%	0.755	S	S	.	*			trans	-110.4	129.3	177.3	-174.1	0	0	0	0	111	R41	V39-R41 PolarHBondContact O-N 3.15Å
40	P	34	Very low	31.1	Very low	77 Å²	77	135.2 Å²	135.2	50%	0.5	75%	0.752	S	S	.	*			trans	-61	131	173	-21.7	32.7	0	0	0	111.8	Y42 W43	P40-Y42 PolarHBondContact O-N 3.21Å; P40-W43 PolarHBondContact O-N 2.71Å
41	R	29	Very low	31.2	Very low	229 Å²	229	136.5 Å²	136.5	86%	0.864	75%	0.75	S	S	*	*	G	3₁₀ helix	trans	-55.7	-5.5	-178.1	-99	-178.4	-116.2	-160.5	-3.1	116.6	V39 W43	V39-R41 PolarHBondContact O-N 3.15Å; R41-W43 VanDerWaalsContact C-N 3.33Å
42	Y	34.4	Very low	31.3	Very low	188 Å²	188	137 Å²	137	74%	0.737	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-79.7	-14.3	-180	-156.9	-97.8	0	0	0	113.4	P40	P40-Y42 PolarHBondContact O-N 3.21Å
43	W	36.7	Very low	31.6	Very low	131 Å²	131	135.6 Å²	135.6	50%	0.496	75%	0.751	S	S	.	*	G	3₁₀ helix	trans	-112.3	10.2	-177.5	-62.8	106.4	0	0	0	113.9	P40 R41 F46	P40-W43 PolarHBondContact O-N 2.71Å; R41-W43 VanDerWaalsContact C-N 3.33Å; W43-F46 HydrophobicContact CE3-CD2 4.46Å; W43-F46 AromaticContact CE3-CE2 3.72Å; W43-F46 HydrophobicContact CE3-CE2 3.72Å; W43-F46 AromaticContact CZ3-CE2 3.96Å; W43-F46 HydrophobicContact CZ3-CE2 3.96Å; W43-F46 HydrophobicContact CZ3-CZ 4.35Å
44	Q	29.9	Very low	31.7	Very low	134 Å²	134	132.8 Å²	132.8	63%	0.626	75%	0.747	S	S	*	*	S	Bend	trans	-100	-2	-178.9	-77.5	-179.5	-23	0	0	114.3
45	S	29.3	Very low	32	Very low	105 Å²	105	132.5 Å²	132.5	73%	0.734	75%	0.746	S	S	*	*			trans	-103.4	60.6	171.3	69.5	0	0	0	0	110.5
46	F	38.9	Very low	32.5	Very low	129 Å²	129	133.2 Å²	133.2	57%	0.566	74%	0.736	S	S	*	*			trans	-125.5	82.2	166.1	-85	-86.8	0	0	0	105.6	W43	W43-F46 HydrophobicContact CE3-CD2 4.46Å; W43-F46 AromaticContact CE3-CE2 3.72Å; W43-F46 HydrophobicContact CE3-CE2 3.72Å; W43-F46 AromaticContact CZ3-CE2 3.96Å; W43-F46 HydrophobicContact CZ3-CE2 3.96Å; W43-F46 HydrophobicContact CZ3-CZ 4.35Å
47	D	33.9	Very low	32.7	Very low	155 Å²	155	129.8 Å²	129.8	83%	0.829	73%	0.727	S	S	*	*			trans	-168.9	146.4	155.8	-94.5	-27.5	0	0	0	108.9
48	D	30.3	Very low	33	Very low	145 Å²	145	124.8 Å²	124.8	78%	0.775	70%	0.698	S	S	*	*			trans	90.2	91.8	171.3	-54.5	-26.1	0	0	0	118.1
49	T	29.4	Very low	33.5	Very low	144 Å²	144	127.2 Å²	127.2	88%	0.883	69%	0.69	S	S	*	*				171.3	114.4	106.6	33.6	0	0	0	0	111.8
50	L	28	Very low	33.7	Very low	169 Å²	169	133.2 Å²	133.2	89%	0.885	70%	0.703	S	S	*	*			trans	-103.3	130.1	166.4	-85.4	161.5	0	0	0	108.3
51	N	28.9	Very low	33.9	Very low	145 Å²	145	137.5 Å²	137.5	78%	0.775	72%	0.716	S	S	*	*			trans	-144.3	129.8	152.7	-95.1	-25.5	0	0	0	109.8	K384	N51-K384 PolarHBondContact O-NZ 3.13Å
52	S	33.7	Very low	34.4	Very low	121 Å²	121	135.7 Å²	135.7	85%	0.846	71%	0.71	S	S	*	*			trans	-64.5	138.6	177.9	46.7	0	0	0	0	111.2
53	A	33.3	Very low	35	Very low	85 Å²	85	133 Å²	133	70%	0.702	70%	0.698	S	S	*	*			trans	-152.7	137.4	163.9	0	0	0	0	0	109.5
54	T	31.3	Very low	35	Very low	132 Å²	132	130.7 Å²	130.7	81%	0.81	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-67.1	152.4	-177.9	43.8	0	0	0	0	113.1
55	P	35.3	Very low	35.4	Very low	116 Å²	116	130.6 Å²	130.6	75%	0.753	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-75.1	143	-173.7	27.1	-29.4	0	0	0	113.5
56	D	37.1	Very low	36.2	Very low	110 Å²	110	133.8 Å²	133.8	59%	0.588	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-73.7	126.6	175.7	179	9.6	0	0	0	111.4	S58	D56-S58 VanDerWaalsContact CG-OG 3.28Å; D56-S58 PolarHBondContact O-N 2.83Å; D56-S58 PolarHBondContact OD1-N 3.41Å; D56-S58 VanDerWaalsContact OD1-N 3.07Å; D56-S58 PolarHBondContact OD1-OG 3.41Å; D56-S58 PolarHBondContact OD2-OG 3.42Å
57	S	34.6	Very low	36.4	Very low	100 Å²	100	131.6 Å²	131.6	70%	0.699	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-66.5	-15.5	-179.5	45.2	0	0	0	0	115	H59 R60	S57-H59 VanDerWaalsContact C-N 3.31Å; S57-H59 PolarHBondContact O-N 3.49Å; S57-R60 PolarHBondContact O-N 3.1Å
58	S	36.8	Very low	36.6	Very low	44 Å²	44	133.2 Å²	133.2	31%	0.308	72%	0.722	S	S	.	*	G	3₁₀ helix	trans	-71	-19.8	-171.3	73.9	0	0	0	0	114.9	D56	D56-S58 VanDerWaalsContact CG-OG 3.28Å; D56-S58 PolarHBondContact O-N 2.83Å; D56-S58 PolarHBondContact OD1-N 3.41Å; D56-S58 VanDerWaalsContact OD1-N 3.07Å; D56-S58 PolarHBondContact OD1-OG 3.41Å; D56-S58 PolarHBondContact OD2-OG 3.42Å
59	H	43.2	Very low	37.3	Very low	123 Å²	123	130 Å²	130	57%	0.569	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-80.7	-23.6	177.4	-91.9	-79.1	0	0	0	113.7	S57	S57-H59 VanDerWaalsContact C-N 3.31Å; S57-H59 PolarHBondContact O-N 3.49Å
60	R	40.8	Very low	38.2	Very low	216 Å²	216	128.6 Å²	128.6	82%	0.815	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-34.7	-175.6	-125.5	179.4	-175.8	-152.1	1.2	112.6	S57 R62 R63	S57-R60 PolarHBondContact O-N 3.1Å; R60-R62 PolarHBondContact O-N 2.94Å; R60-R63 PolarHBondContact O-N 3.2Å
61	E	36.3	Very low	39	Very low	167 Å²	167	126.9 Å²	126.9	78%	0.78	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-28	-174.5	-109.6	174.9	169.6	0	0	113.7	R63	E61-R63 VanDerWaalsContact C-N 3.32Å; E61-R63 PolarHBondContact O-N 2.83Å
62	R	39.8	Very low	40.1	Very low	191 Å²	191	121.9 Å²	121.9	72%	0.721	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-15	177.5	-79.2	-176.7	-105.7	-121.1	-0.4	114.4	R60	R60-R62 PolarHBondContact O-N 2.94Å
63	R	46.8	Very low	41.4	Very low	130 Å²	130	118.5 Å²	118.5	49%	0.491	67%	0.669	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84	-25.2	-178	-76.6	-174.7	179.9	-150.3	2.6	114.1	R60 E61 T65 D76	R60-R63 PolarHBondContact O-N 3.2Å; E61-R63 VanDerWaalsContact C-N 3.32Å; E61-R63 PolarHBondContact O-N 2.83Å; R63-T65 PolarHBondContact O-N 3.11Å; R63-D76 IonicContact CZ-OD2 3.63Å; R63-D76 IonicContact NE-OD2 2.84Å; R63-D76 PolarHBondContact NE-OD2 3.46Å; R63-D76 VanDerWaalsContact NE-OD2 3.1Å; R63-D76 IonicContact NH1-OD2 3.62Å; R63-D76 PolarHBondContact NH1-OD2 2.93Å; R63-D76 IonicContact NH2-OD1 2.9Å; R63-D76 IonicContact NH2-OD2 3.02Å; R63-D76 PolarHBondContact NH2-OD2 3.13Å
64	A	37.6	Very low	43.6	Very low	83 Å²	83	118 Å²	118	69%	0.686	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-19.9	-168.2	0	0	0	0	0	114.8
65	T	39.1	Very low	46.3	Very low	133 Å²	133	118 Å²	118	82%	0.816	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	0.7	-173.1	38.1	0	0	0	0	115.4	R63	R63-T65 PolarHBondContact O-N 3.11Å
66	R	44.7	Very low	49.1	Very low	171 Å²	171	113.9 Å²	113.9	65%	0.645	62%	0.615	S	S	*	*			trans	-104.4	0.7	-173.6	-126	178.6	-177	-140.3	0.5	115.7	M68	R66-M68 PolarHBondContact O-N 2.78Å; R66-M68 VanDerWaalsContact O-N 3.15Å
67	A	42.9	Very low	51.9	Low	83 Å²	83	109 Å²	109	69%	0.686	59%	0.589	S	S	*	*			trans	-87.9	71.1	-176.3	0	0	0	0	0	112.5
68	M	37.8	Very low	54.9	Low	189 Å²	189	106.7 Å²	106.7	93%	0.931	57%	0.567	S	S	*	*	S	Bend	trans	-139.6	111.6	158.4	-81.1	-174.5	80	0	0	111.2	R66	R66-M68 PolarHBondContact O-N 2.78Å; R66-M68 VanDerWaalsContact O-N 3.15Å
69	G	45.1	Very low	57.7	Low	77 Å²	77	107.2 Å²	107.2	79%	0.794	56%	0.562	S	S	*	*			trans	90.4	70.3	154.2	0	0	0	0	0	117.2
70	K	48.8	Very low	60.2	Low	116 Å²	116	102.8 Å²	102.8	50%	0.504	54%	0.544	S	S	.	.			trans	-142.9	135.3	154.9	-74.8	-170.7	-179.5	170.9	0	111.5	G72 W218 C221	K70-G72 PolarHBondContact O-N 3.13Å; K70-W218 PolarHBondContact NZ-O 3.3Å; K70-C221 PolarHBondContact NZ-SG 3.16Å
71	T	46.1	Very low	62.7	Low	133 Å²	133	101.5 Å²	101.5	82%	0.816	54%	0.54	S	S	*	.	S	Bend	trans	-72.3	115.9	171.9	48.6	0	0	0	0	109.5
72	G	50.9	Low	65.3	Low	39 Å²	39	98.2 Å²	98.2	40%	0.402	53%	0.532	S	S	.	.	S	Bend	trans	88.3	6.2	145.8	0	0	0	0	0	121.4	K70 E371	K70-G72 PolarHBondContact O-N 3.13Å; G72-E371 CarbonylContact O-C 3.36Å; G72-E371 WeakPolarHBondContact O-CB 3Å; G72-E371 VanDerWaalsContact O-O 3.13Å
73	G	60.2	Low	67.8	Low	51 Å²	51	95.6 Å²	95.6	53%	0.526	53%	0.532	S	S	.	.	S	Bend	trans	-132.4	162.4	-177.3	0	0	0	0	0	115.7	E371	G73-E371 WeakPolarHBondContact CA-O 3.44Å
74	R	81.2	Confident	70	Confident	74 Å²	74	90.3 Å²	90.3	28%	0.279	51%	0.513	S	S	.	.			trans	-56.6	138	171	-70.4	174.6	173.1	-103.8	-5.3	110.7	E78 Y376	R74-E78 IonicContact CZ-OE2 3.5Å; R74-E78 IonicContact NH1-OE2 3.85Å; R74-E78 PolarHBondContact NH1-OE2 3.08Å; R74-E78 IonicContact NH2-OE2 2.64Å; R74-Y376 VanDerWaalsContact O-CD2 3.27Å; R74-Y376 WeakPolarHBondContact O-CD2 3.42Å
75	D	88.3	Confident	72.7	Confident	133 Å²	133	88.5 Å²	88.5	71%	0.711	49%	0.494	S	S	*	.	S	Bend	trans	-102	-9.8	177.9	60.9	-16.8	0	0	0	113.6	Y376	D75-Y376 WeakPolarHBondContact O-CE2 3.23Å
76	D	93.9	Very high	75.5	Confident	29 Å²	29	82.2 Å²	82.2	16%	0.155	46%	0.456	C	S	.	.	S	Bend	trans	-150.2	167.3	178.1	-152.9	-41.6	0	0	0	110.6	R63 W79	R63-D76 IonicContact CZ-OD2 3.63Å; R63-D76 IonicContact NE-OD2 2.84Å; R63-D76 PolarHBondContact NE-OD2 3.46Å; R63-D76 VanDerWaalsContact NE-OD2 3.1Å; R63-D76 IonicContact NH1-OD2 3.62Å; R63-D76 PolarHBondContact NH1-OD2 2.93Å; R63-D76 IonicContact NH2-OD1 2.9Å; R63-D76 IonicContact NH2-OD2 3.02Å; R63-D76 PolarHBondContact NH2-OD2 3.13Å; D76-W79 PolarHBondContact OD1-NE1 3.41Å; D76-W79 VanDerWaalsContact OD1-NE1 3.07Å
77	F	95.9	Very high	77.9	Confident	8 Å²	8	77.9 Å²	77.9	4%	0.035	45%	0.448	C	S	.	.			trans	-68.4	159.9	169.1	-57.1	-75.8	0	0	0	112	W79 I211 P212 D214 P375 Y376 R378 K380	F77-W79 VanDerWaalsContact O-CD1 3.23Å; F77-W79 PolarHBondContact O-N 3.28Å; F77-I211 HydrophobicContact CD1-CG2 4.25Å; F77-I211 HydrophobicContact CE1-CG2 3.81Å; F77-I211 HydrophobicContact CZ-CG2 4.27Å; F77-P212 WeakPolarHBondContact CZ-O 3.17Å; F77-D214 WeakPolarHBondContact CE2-OD1 3.22Å; F77-P375 WeakPolarHBondContact CE1-O 3.31Å; F77-Y376 AromaticContact CD1-CD1 3.97Å; F77-Y376 HydrophobicContact CD1-CD1 3.97Å; F77-Y376 AromaticContact CD2-CD1 3.92Å; F77-Y376 HydrophobicContact CD2-CD1 3.92Å; F77-Y376 HydrophobicContact CD2-CE1 4.07Å; F77-Y376 AromaticContact CE1-CD1 3.82Å; F77-Y376 HydrophobicContact CE1-CD1 3.82Å; F77-Y376 HydrophobicContact CE1-CE1 4.49Å; F77-Y376 AromaticContact CE2-CD1 3.77Å; F77-Y376 HydrophobicContact CE2-CD1 3.77Å; F77-Y376 AromaticContact CE2-CE1 3.7Å; F77-Y376 HydrophobicContact CE2-CE1 3.7Å; F77-Y376 HydrophobicContact CG-CD1 4.04Å; F77-Y376 AromaticContact CZ-CD1 3.7Å; F77-Y376 HydrophobicContact CZ-CD1 3.7Å; F77-Y376 AromaticContact CZ-CE1 3.92Å; F77-Y376 HydrophobicContact CZ-CE1 3.92Å; F77-R378 HydrophobicContact CD1-CB 3.98Å; F77-R378 HydrophobicContact CE1-CB 4.35Å; F77-K380 HydrophobicContact CB-CB 4.2Å; F77-K380 HydrophobicContact CB-CD 3.62Å; F77-K380 HydrophobicContact CB-CG 3.78Å; F77-K380 HydrophobicContact CD1-CD 4.01Å; F77-K380 HydrophobicContact CD1-CG 4.28Å; F77-K380 HydrophobicContact CD2-CD 3.31Å; F77-K380 HydrophobicContact CD2-CG 4.33Å; F77-K380 HydrophobicContact CE2-CD 3.91Å; F77-K380 HydrophobicContact CG-CD 3.35Å; F77-K380 HydrophobicContact CG-CG 3.87Å; F77-K380 HydrophobicContact CZ-CD 4.49Å
78	E	95.8	Very high	80.4	Confident	50 Å²	50	77.2 Å²	77.2	23%	0.234	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	108.3	171	-169.5	83.3	-163.9	0	0	109.8	R74 V80 M302 K305 R378 I379 K380	R74-E78 IonicContact CZ-OE2 3.5Å; R74-E78 IonicContact NH1-OE2 3.85Å; R74-E78 PolarHBondContact NH1-OE2 3.08Å; R74-E78 IonicContact NH2-OE2 2.64Å; E78-V80 HydrophobicContact CG-CG1 4.31Å; E78-M302 HydrophobicContact CB-CE 3.51Å; E78-M302 HydrophobicContact CB-SD 4.47Å; E78-M302 HydrophobicContact CG-CE 3.98Å; E78-M302 HydrophobicContact CG-SD 4.43Å; E78-K305 WeakPolarHBondContact OE1-CE 3.18Å; E78-K305 IonicContact OE1-NZ 3.48Å; E78-R378 PolarHBondContact N-O 3.27Å; E78-I379 HydrophobicContact CB-CG1 4.31Å; E78-I379 CarbonylContact O-C 3.58Å; E78-I379 WeakPolarHBondContact O-CA 3.4Å; E78-K380 PolarHBondContact O-N 3.49Å
79	W	96.2	Very high	83.3	Confident	55 Å²	55	69.9 Å²	69.9	21%	0.208	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	125.5	178.2	-68	80.9	0	0	0	110.5	D76 F77 D205 K380 E382	D76-W79 PolarHBondContact OD1-NE1 3.41Å; D76-W79 VanDerWaalsContact OD1-NE1 3.07Å; F77-W79 VanDerWaalsContact O-CD1 3.23Å; F77-W79 PolarHBondContact O-N 3.28Å; W79-D205 HydrophobicContact CH2-CB 4Å; W79-D205 HydrophobicContact CZ3-CB 4.14Å; W79-K380 WeakPolarHBondContact CA-O 3.31Å; W79-K380 HydrophobicContact CD2-CB 3.9Å; W79-K380 HydrophobicContact CE3-CB 3.83Å; W79-K380 HydrophobicContact CH2-CB 4.17Å; W79-K380 HydrophobicContact CH2-CD 4.16Å; W79-K380 HydrophobicContact CZ2-CB 4.18Å; W79-K380 HydrophobicContact CZ2-CD 3.84Å; W79-K380 HydrophobicContact CZ3-CB 3.98Å; W79-E382 HydrophobicContact CZ3-CG 4.12Å
80	V	95.6	Very high	85.8	Confident	30 Å²	30	69 Å²	69	18%	0.182	38%	0.377	C	S	.	.			trans	-123.2	151.7	176.6	-54.4	0	0	0	0	110.8	E78 I379 K380 R381	E78-V80 HydrophobicContact CG-CG1 4.31Å; V80-I379 HydrophobicContact CB-CG2 4.3Å; V80-I379 HydrophobicContact CG1-CD1 4.35Å; V80-I379 HydrophobicContact CG1-CG2 3.94Å; V80-I379 HydrophobicContact CG2-CG2 3.42Å; V80-I379 VanDerWaalsContact CG2-CG2 3.42Å; V80-K380 PolarHBondContact N-O 2.81Å; V80-R381 HydrophobicContact CG2-CG 3.55Å
81	Y	93.1	Very high	88.1	Confident	190 Å²	190	71.4 Å²	71.4	75%	0.745	39%	0.387	S	S	*	.			trans	-114.2	21.7	-176.8	-55.5	-78.7	0	0	0	112.1
82	T	92.5	Very high	90.6	Very high	97 Å²	97	70.6 Å²	70.6	60%	0.595	38%	0.375	S	S	*	.	S	Bend	trans	-109.9	153.6	175	58.5	0	0	0	0	109.9	R381	T82-R381 VanDerWaalsContact O-CD 3.26Å; T82-R381 WeakPolarHBondContact O-CD 3.44Å; T82-R381 PolarHBondContact O-NE 3.16Å
83	D	91.4	Very high	92.9	Very high	136 Å²	136	68.8 Å²	68.8	73%	0.727	36%	0.356	S	S	*	.			trans	-62.1	165.8	171.7	-69.6	-35.5	0	0	0	112.1
84	Q	93.1	Very high	94.7	Very high	19 Å²	19	68 Å²	68	9%	0.089	34%	0.339	C	S	.	.			trans	-63.6	141.6	172.8	61.1	160.7	-33.8	0	0	111.4	H86 H199 R200 L202	Q84-H86 VanDerWaalsContact C-N 3.26Å; Q84-H86 PolarHBondContact O-N 3.44Å; Q84-H199 PolarHBondContact NE2-O 3.03Å; Q84-R200 PolarHBondContact NE2-O 3.39Å; Q84-L202 HydrophobicContact CB-CB 4.26Å; Q84-L202 HydrophobicContact CB-CD2 4.49Å
85	P	94.7	Very high	95.5	Very high	46 Å²	46	68.6 Å²	68.6	30%	0.299	36%	0.36	S	S	.	.	H	α-helix	trans	-69.7	-24.6	-172.4	27.2	-35.9	0	0	0	113	T87 A88 R89 E308	P85-T87 PolarHBondContact O-N 3.07Å; P85-A88 PolarHBondContact O-N 3.12Å; P85-R89 WeakPolarHBondContact O-CB 3.5Å; P85-R89 PolarHBondContact O-N 3.27Å; P85-E308 WeakPolarHBondContact CD-OE1 3.47Å; P85-E308 WeakPolarHBondContact CG-OE1 3.33Å
86	H	97.4	Very high	96	Very high	1 Å²	1	67.7 Å²	67.7	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-65.1	-36.8	-172.2	-62.4	-69.4	0	0	0	113.7	Q84 R89 R90 T309 H330 D331	Q84-H86 VanDerWaalsContact C-N 3.26Å; Q84-H86 PolarHBondContact O-N 3.44Å; H86-R89 PolarHBondContact CE1-NH2 3.18Å; H86-R89 VanDerWaalsContact CE1-NH2 3.29Å; H86-R89 PolarHBondContact ND1-NH2 2.92Å; H86-R90 WeakPolarHBondContact O-CB 3.49Å; H86-R90 PolarHBondContact O-N 2.74Å; H86-T309 PolarHBondContact CE1-OG1 3.36Å; H86-T309 WeakPolarHBondContact NE2-CB 3.39Å; H86-T309 PolarHBondContact NE2-OG1 2.97Å; H86-H330 HydrophobicContact CB-CB 4.37Å; H86-H330 AromaticContact CD2-ND1 3.98Å; H86-H330 WeakPolarHBondContact CE1-CB 3.17Å; H86-H330 WeakPolarHBondContact ND1-CB 3.23Å; H86-H330 AromaticContact NE2-CG 3.91Å; H86-H330 AromaticContact NE2-ND1 3.96Å; H86-D331 VanDerWaalsContact CA-OD1 3.27Å; H86-D331 WeakPolarHBondContact CA-OD1 3.47Å; H86-D331 WeakPolarHBondContact CB-OD1 3.46Å; H86-D331 IonicContact CE1-OD1 2.71Å; H86-D331 IonicContact CG-OD1 2.66Å; H86-D331 IonicContact ND1-OD1 2.74Å; H86-D331 PolarHBondContact ND1-OD1 3.48Å
87	T	94.6	Very high	96.2	Very high	80 Å²	80	68.5 Å²	68.5	49%	0.491	35%	0.351	S	S	.	.	H	α-helix	trans	-67.5	-46.7	-178.7	-54.5	0	0	0	0	111.3	P85 K91	P85-T87 PolarHBondContact O-N 3.07Å; T87-K91 PolarHBondContact O-N 3.47Å
88	A	96.1	Very high	96.3	Very high	68 Å²	68	71.5 Å²	71.5	56%	0.562	37%	0.371	S	S	*	.	H	α-helix	trans	-65.2	-49	178.2	0	0	0	0	0	111.1	P85 R90 K91 E92	P85-A88 PolarHBondContact O-N 3.12Å; A88-R90 PolarHBondContact O-N 3.02Å; A88-K91 WeakPolarHBondContact O-CB 3.38Å; A88-K91 PolarHBondContact O-N 3.13Å; A88-K91 VanDerWaalsContact O-N 3.11Å; A88-E92 PolarHBondContact O-N 2.92Å
89	R	97.6	Very high	96.4	Very high	35 Å²	35	73.3 Å²	73.3	13%	0.132	38%	0.379	C	S	.	.	H	α-helix	trans	-62.3	-41.8	-179.7	-171.7	165.2	60.3	-118.6	-10.7	112.4	P85 H86 K91 E92 I93 D331 Y350	P85-R89 WeakPolarHBondContact O-CB 3.5Å; P85-R89 PolarHBondContact O-N 3.27Å; H86-R89 PolarHBondContact CE1-NH2 3.18Å; H86-R89 VanDerWaalsContact CE1-NH2 3.29Å; H86-R89 PolarHBondContact ND1-NH2 2.92Å; R89-K91 VanDerWaalsContact C-N 3.33Å; R89-K91 PolarHBondContact O-N 3.01Å; R89-E92 PolarHBondContact O-N 3.47Å; R89-I93 HydrophobicContact CG-CD1 3.75Å; R89-I93 HydrophobicContact CG-CG1 4.27Å; R89-I93 WeakPolarHBondContact O-CB 3.48Å; R89-I93 VanDerWaalsContact O-CG1 3.3Å; R89-I93 WeakPolarHBondContact O-CG1 3.48Å; R89-I93 PolarHBondContact O-N 3.44Å; R89-D331 IonicContact CZ-OD1 3.54Å; R89-D331 IonicContact CZ-OD2 3.66Å; R89-D331 IonicContact NE-OD1 2.64Å; R89-D331 PolarHBondContact NE-OD1 3.4Å; R89-D331 IonicContact NE-OD2 3.48Å; R89-D331 PolarHBondContact NE-OD2 2.96Å; R89-D331 IonicContact NH2-OD1 3.83Å; R89-D331 PolarHBondContact NH2-OD1 3.49Å; R89-D331 IonicContact NH2-OD2 2.85Å; R89-D331 PolarHBondContact NH2-OD2 3.25Å; R89-Y350 HydrophobicContact CG-CD1 3.93Å
90	R	98	Very high	96.5	Very high	59 Å²	59	70.7 Å²	70.7	22%	0.223	37%	0.37	C	S	.	.	H	α-helix	trans	-55.1	-46.1	171.9	-179.6	-168.6	-50.2	-151	-7.5	112.1	H86 A88 L94 H330 D331 F332	H86-R90 WeakPolarHBondContact O-CB 3.49Å; H86-R90 PolarHBondContact O-N 2.74Å; A88-R90 PolarHBondContact O-N 3.02Å; R90-L94 HydrophobicContact CG-CD1 3.98Å; R90-L94 HydrophobicContact CG-CG 4.46Å; R90-L94 WeakPolarHBondContact O-CB 3.34Å; R90-L94 VanDerWaalsContact O-CG 3.28Å; R90-L94 WeakPolarHBondContact O-CG 3.3Å; R90-L94 PolarHBondContact O-N 3.27Å; R90-H330 PolarHBondContact NH2-O 2.92Å; R90-D331 WeakPolarHBondContact CB-O 3.27Å; R90-D331 VanDerWaalsContact CD-O 3.31Å; R90-D331 WeakPolarHBondContact CD-O 3.29Å; R90-D331 WeakPolarHBondContact CG-O 3.39Å; R90-D331 PolarHBondContact NE-O 3.28Å; R90-D331 PolarHBondContact NH2-O 3.48Å; R90-D331 VanDerWaalsContact NH2-O 3.14Å; R90-F332 HydrophobicContact CB-CE1 4.48Å; R90-F332 HydrophobicContact CG-CD1 4.09Å; R90-F332 HydrophobicContact CG-CE1 3.63Å; R90-F332 HydrophobicContact CG-CZ 4.16Å
91	K	97.9	Very high	96.6	Very high	166 Å²	166	74.7 Å²	74.7	72%	0.722	39%	0.385	S	S	*	.	H	α-helix	trans	-62.7	-44.8	-179.1	-177.9	178.9	177.9	177.5	0	111.1	T87 A88 R89 A95	T87-K91 PolarHBondContact O-N 3.47Å; A88-K91 WeakPolarHBondContact O-CB 3.38Å; A88-K91 PolarHBondContact O-N 3.13Å; A88-K91 VanDerWaalsContact O-N 3.11Å; R89-K91 VanDerWaalsContact C-N 3.33Å; R89-K91 PolarHBondContact O-N 3.01Å; K91-A95 PolarHBondContact O-N 2.95Å; K91-A95 VanDerWaalsContact O-N 3.11Å
92	E	98.3	Very high	96.8	Very high	117 Å²	117	71 Å²	71	55%	0.547	38%	0.382	S	S	.	.	H	α-helix	trans	-64.1	-50	178.5	-162.4	-174.1	162	0	0	111.7	A88 R89 L94 A95 K96 Y350	A88-E92 PolarHBondContact O-N 2.92Å; R89-E92 PolarHBondContact O-N 3.47Å; E92-L94 VanDerWaalsContact C-N 3.34Å; E92-L94 PolarHBondContact O-N 3.06Å; E92-A95 WeakPolarHBondContact O-CB 3.47Å; E92-A95 PolarHBondContact O-N 2.84Å; E92-A95 VanDerWaalsContact O-N 3.13Å; E92-K96 PolarHBondContact O-N 2.72Å; E92-K96 VanDerWaalsContact O-N 3.08Å; E92-Y350 HydrophobicContact CB-CE1 4.28Å; E92-Y350 HydrophobicContact CG-CE1 4.02Å; E92-Y350 WeakPolarHBondContact CG-OH 3.34Å; E92-Y350 PolarHBondContact OE1-OH 3.43Å
93	I	98.6	Very high	97	Very high	0 Å²	0	67 Å²	67	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-58.2	-44.7	177.3	-69.9	172.8	0	0	0	110.8	R89 A95 K96 Y97 I100 F332 A347 Y350 Y351	R89-I93 HydrophobicContact CG-CD1 3.75Å; R89-I93 HydrophobicContact CG-CG1 4.27Å; R89-I93 WeakPolarHBondContact O-CB 3.48Å; R89-I93 VanDerWaalsContact O-CG1 3.3Å; R89-I93 WeakPolarHBondContact O-CG1 3.48Å; R89-I93 PolarHBondContact O-N 3.44Å; I93-A95 VanDerWaalsContact C-N 3.29Å; I93-A95 PolarHBondContact O-N 3.29Å; I93-K96 PolarHBondContact O-N 3.04Å; I93-Y97 HydrophobicContact CG2-CD2 4.38Å; I93-Y97 WeakPolarHBondContact O-CA 3.43Å; I93-Y97 WeakPolarHBondContact O-CB 3.3Å; I93-Y97 PolarHBondContact O-N 3.16Å; I93-I100 HydrophobicContact CG2-CD1 3.32Å; I93-F332 HydrophobicContact CB-CE2 4.43Å; I93-F332 HydrophobicContact CB-CZ 3.91Å; I93-F332 HydrophobicContact CD1-CE2 4.1Å; I93-F332 HydrophobicContact CD1-CZ 4.39Å; I93-F332 HydrophobicContact CG2-CE2 3.94Å; I93-F332 HydrophobicContact CG2-CZ 3.52Å; I93-A347 HydrophobicContact CD1-CB 4.21Å; I93-A347 HydrophobicContact CG1-CB 4.28Å; I93-A347 HydrophobicContact CG2-CB 3.88Å; I93-Y350 HydrophobicContact CD1-CD1 4.07Å; I93-Y350 HydrophobicContact CD1-CD2 4.16Å; I93-Y350 HydrophobicContact CD1-CG 3.78Å; I93-Y350 HydrophobicContact CG1-CD1 3.7Å; I93-Y350 HydrophobicContact CG1-CD2 3.66Å; I93-Y350 HydrophobicContact CG1-CE1 3.8Å; I93-Y350 HydrophobicContact CG1-CE2 3.75Å; I93-Y350 HydrophobicContact CG1-CG 3.61Å; I93-Y351 HydrophobicContact CD1-CE2 4.31Å; I93-Y351 WeakPolarHBondContact CD1-OH 2.99Å
94	L	98.4	Very high	97.3	Very high	35 Å²	35	63.6 Å²	63.6	18%	0.183	34%	0.337	C	S	.	.	H	α-helix	trans	-69.1	-25.8	179.7	-73.6	177.3	0	0	0	114	R90 E92 I100 K101 M104 F332	R90-L94 HydrophobicContact CG-CD1 3.98Å; R90-L94 HydrophobicContact CG-CG 4.46Å; R90-L94 WeakPolarHBondContact O-CB 3.34Å; R90-L94 VanDerWaalsContact O-CG 3.28Å; R90-L94 WeakPolarHBondContact O-CG 3.3Å; R90-L94 PolarHBondContact O-N 3.27Å; E92-L94 VanDerWaalsContact C-N 3.34Å; E92-L94 PolarHBondContact O-N 3.06Å; L94-I100 HydrophobicContact CD2-CB 4.31Å; L94-I100 HydrophobicContact CD2-CG2 4.19Å; L94-K101 HydrophobicContact CD2-CG 3.82Å; L94-M104 HydrophobicContact CD1-CE 4.48Å; L94-M104 HydrophobicContact CD2-CE 4.2Å; L94-F332 HydrophobicContact CD1-CE1 4.15Å; L94-F332 HydrophobicContact CD2-CE1 3.73Å; L94-F332 HydrophobicContact CD2-CZ 4.42Å; L94-F332 HydrophobicContact CG-CE1 3.73Å; L94-F332 HydrophobicContact CG-CZ 4.31Å
95	A	98.4	Very high	97.3	Very high	87 Å²	87	63.8 Å²	63.8	72%	0.719	35%	0.345	S	S	*	.	H	α-helix	trans	-72.3	-38.5	173.7	0	0	0	0	0	110.9	K91 E92 I93	K91-A95 PolarHBondContact O-N 2.95Å; K91-A95 VanDerWaalsContact O-N 3.11Å; E92-A95 WeakPolarHBondContact O-CB 3.47Å; E92-A95 PolarHBondContact O-N 2.84Å; E92-A95 VanDerWaalsContact O-N 3.13Å; I93-A95 VanDerWaalsContact C-N 3.29Å; I93-A95 PolarHBondContact O-N 3.29Å
96	K	98.6	Very high	97.4	Very high	113 Å²	113	64.8 Å²	64.8	49%	0.491	35%	0.351	S	S	.	.	H	α-helix	trans	-82.3	-39.4	-179.5	-166.8	175.9	-179.8	-169.1	0	113.6	E92 I93 P98 E349 Y350	E92-K96 PolarHBondContact O-N 2.72Å; E92-K96 VanDerWaalsContact O-N 3.08Å; I93-K96 PolarHBondContact O-N 3.04Å; K96-P98 WeakPolarHBondContact O-CD 3.33Å; K96-E349 IonicContact NZ-OE1 2.85Å; K96-E349 PolarHBondContact NZ-OE1 3.39Å; K96-Y350 HydrophobicContact CD-CE2 4.3Å
97	Y	98.4	Very high	97.4	Very high	47 Å²	47	65.5 Å²	65.5	18%	0.184	36%	0.355	C	S	.	.			trans	-126.4	68.8	-174.4	-58.5	-65.7	0	0	0	111.5	I93 E99 I100 I346 A347 E349 Y350	I93-Y97 HydrophobicContact CG2-CD2 4.38Å; I93-Y97 WeakPolarHBondContact O-CA 3.43Å; I93-Y97 WeakPolarHBondContact O-CB 3.3Å; I93-Y97 PolarHBondContact O-N 3.16Å; Y97-E99 VanDerWaalsContact CA-OE2 3.23Å; Y97-E99 WeakPolarHBondContact CA-OE2 3.24Å; Y97-E99 WeakPolarHBondContact CD1-OE1 3.44Å; Y97-E99 PolarHBondContact O-N 3.09Å; Y97-E99 VanDerWaalsContact O-N 3.13Å; Y97-I100 PolarHBondContact O-N 2.9Å; Y97-I346 HydrophobicContact CD1-CG2 3.84Å; Y97-I346 HydrophobicContact CD2-CG2 4.39Å; Y97-I346 HydrophobicContact CG-CG2 3.75Å; Y97-A347 HydrophobicContact CD2-CB 3.98Å; Y97-A347 HydrophobicContact CE2-CB 4.18Å; Y97-E349 VanDerWaalsContact CE2-OE1 3.22Å; Y97-E349 WeakPolarHBondContact CE2-OE1 3.45Å; Y97-E349 PolarHBondContact OH-OE1 2.8Å; Y97-Y350 HydrophobicContact CE2-CE2 4.04Å
98	P	97.8	Very high	97.3	Very high	70 Å²	70	65.3 Å²	65.3	46%	0.455	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-60.5	-22.2	-179.2	26.2	-35.5	0	0	0	113.5	K96 I100 K101	K96-P98 WeakPolarHBondContact O-CD 3.33Å; P98-I100 PolarHBondContact O-N 2.84Å; P98-K101 WeakPolarHBondContact O-CB 3.27Å; P98-K101 WeakPolarHBondContact O-CG 3.42Å; P98-K101 PolarHBondContact O-N 3.18Å; P98-K101 VanDerWaalsContact O-N 3.12Å
99	E	97.8	Very high	97.4	Very high	88 Å²	88	67.6 Å²	67.6	41%	0.411	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-60.5	-22.6	176.3	66.5	-89.1	-149.7	0	0	113.6	Y97 K101 T102 I346	Y97-E99 VanDerWaalsContact CA-OE2 3.23Å; Y97-E99 WeakPolarHBondContact CA-OE2 3.24Å; Y97-E99 WeakPolarHBondContact CD1-OE1 3.44Å; Y97-E99 PolarHBondContact O-N 3.09Å; Y97-E99 VanDerWaalsContact O-N 3.13Å; E99-K101 PolarHBondContact O-N 3.4Å; E99-K101 VanDerWaalsContact O-N 3.12Å; E99-T102 WeakPolarHBondContact O-CB 3.47Å; E99-T102 WeakPolarHBondContact O-CG2 3.5Å; E99-T102 PolarHBondContact O-N 2.94Å; E99-T102 PolarHBondContact O-OG1 3.24Å; E99-I346 HydrophobicContact CG-CD1 4.44Å; E99-I346 HydrophobicContact CG-CG2 4.36Å
100	I	98.3	Very high	97.4	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-57.7	-28.1	174	-75.7	172	0	0	0	111.3	I93 L94 Y97 P98 T102 L103 F332 I335 V343 I346 A347	I93-I100 HydrophobicContact CG2-CD1 3.32Å; L94-I100 HydrophobicContact CD2-CB 4.31Å; L94-I100 HydrophobicContact CD2-CG2 4.19Å; Y97-I100 PolarHBondContact O-N 2.9Å; P98-I100 PolarHBondContact O-N 2.84Å; I100-T102 PolarHBondContact O-N 2.86Å; I100-T102 VanDerWaalsContact O-N 3.16Å; I100-L103 VanDerWaalsContact O-CB 3.31Å; I100-L103 WeakPolarHBondContact O-CB 3.39Å; I100-L103 PolarHBondContact O-N 2.81Å; I100-F332 HydrophobicContact CD1-CZ 4.45Å; I100-F332 HydrophobicContact CG2-CD1 3.96Å; I100-F332 HydrophobicContact CG2-CE1 3.8Å; I100-F332 HydrophobicContact CG2-CE2 4.4Å; I100-F332 HydrophobicContact CG2-CG 4.32Å; I100-F332 HydrophobicContact CG2-CZ 4.04Å; I100-I335 HydrophobicContact CG2-CD1 3.71Å; I100-V343 HydrophobicContact CD1-CG1 4.47Å; I100-I346 HydrophobicContact CD1-CB 4.39Å; I100-I346 HydrophobicContact CD1-CG2 3.94Å; I100-I346 HydrophobicContact CG1-CB 4.33Å; I100-I346 HydrophobicContact CG1-CD1 4.14Å; I100-I346 HydrophobicContact CG1-CG2 3.9Å; I100-A347 HydrophobicContact CD1-CB 4.25Å
101	K	97.3	Very high	97.4	Very high	115 Å²	115	65.7 Å²	65.7	50%	0.5	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-60.4	-25.9	175.2	-64.4	179.4	-177.6	172	0	112.9	L94 P98 E99 L103 M104	L94-K101 HydrophobicContact CD2-CG 3.82Å; P98-K101 WeakPolarHBondContact O-CB 3.27Å; P98-K101 WeakPolarHBondContact O-CG 3.42Å; P98-K101 PolarHBondContact O-N 3.18Å; P98-K101 VanDerWaalsContact O-N 3.12Å; E99-K101 PolarHBondContact O-N 3.4Å; E99-K101 VanDerWaalsContact O-N 3.12Å; K101-L103 PolarHBondContact O-N 3.45Å; K101-M104 HydrophobicContact CG-SD 4.43Å; K101-M104 WeakPolarHBondContact O-CB 3.33Å; K101-M104 PolarHBondContact O-N 3.45Å
102	T	97.3	Very high	97.4	Very high	112 Å²	112	65.9 Å²	65.9	69%	0.687	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-69.6	-20.5	176.7	69.6	0	0	0	0	112.6	E99 I100	E99-T102 WeakPolarHBondContact O-CB 3.47Å; E99-T102 WeakPolarHBondContact O-CG2 3.5Å; E99-T102 PolarHBondContact O-N 2.94Å; E99-T102 PolarHBondContact O-OG1 3.24Å; I100-T102 PolarHBondContact O-N 2.86Å; I100-T102 VanDerWaalsContact O-N 3.16Å
103	L	97.8	Very high	97.4	Very high	14 Å²	14	63.8 Å²	63.8	7%	0.073	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-80.2	-21.5	175.9	-54.4	-178.4	0	0	0	112	I100 K101 G105 I335 K339 Q342 V343 I346	I100-L103 VanDerWaalsContact O-CB 3.31Å; I100-L103 WeakPolarHBondContact O-CB 3.39Å; I100-L103 PolarHBondContact O-N 2.81Å; K101-L103 PolarHBondContact O-N 3.45Å; L103-G105 PolarHBondContact O-N 2.85Å; L103-I335 HydrophobicContact CB-CD1 3.85Å; L103-I335 HydrophobicContact CB-CG1 4.17Å; L103-I335 HydrophobicContact CB-CG2 4.06Å; L103-K339 HydrophobicContact CB-CD 4.21Å; L103-K339 HydrophobicContact CD2-CD 4.27Å; L103-K339 WeakPolarHBondContact O-CD 3.35Å; L103-K339 PolarHBondContact O-NZ 2.84Å; L103-Q342 HydrophobicContact CD1-CB 3.98Å; L103-V343 HydrophobicContact CD1-CG2 3.84Å; L103-I346 HydrophobicContact CD1-CD1 4.09Å
104	M	96.7	Very high	97.4	Very high	64 Å²	64	63.8 Å²	63.8	32%	0.315	34%	0.34	S	S	.	.			trans	-71.6	110.3	178.8	-59.3	178.6	176.1	0	0	110.5	L94 K101 F332 I335	L94-M104 HydrophobicContact CD1-CE 4.48Å; L94-M104 HydrophobicContact CD2-CE 4.2Å; K101-M104 HydrophobicContact CG-SD 4.43Å; K101-M104 WeakPolarHBondContact O-CB 3.33Å; K101-M104 PolarHBondContact O-N 3.45Å; M104-F332 HydrophobicContact CE-CD1 3.66Å; M104-F332 HydrophobicContact CE-CE1 4.18Å; M104-I335 HydrophobicContact CB-CG1 4.43Å; M104-I335 HydrophobicContact CG-CD1 4.19Å; M104-I335 HydrophobicContact CG-CG1 3.7Å
105	G	93.3	Very high	97.4	Very high	23 Å²	23	63.4 Å²	63.4	24%	0.237	34%	0.34	C	S	.	.	S	Bend	trans	166.8	178.3	-177.8	0	0	0	0	0	112.2	L103 P336	L103-G105 PolarHBondContact O-N 2.85Å; G105-P336 WeakPolarHBondContact O-CD 3.45Å
106	P	96.6	Very high	97.4	Very high	67 Å²	67	60.6 Å²	60.6	44%	0.435	32%	0.32	S	S	.	.			trans	-68	147.3	179.6	28.1	-33.3	0	0	0	112.1	V162	P106-V162 CarbonylContact C-O 3.57Å; P106-V162 WeakPolarHBondContact CA-O 3.13Å
107	D	96.9	Very high	97.4	Very high	16 Å²	16	56.9 Å²	56.9	9%	0.086	31%	0.305	C	S	.	.			trans	-89.4	111.7	162.8	-174.8	-20.2	0	0	0	109.3	Q109 L110 V162 P336 S338	D107-Q109 PolarHBondContact O-N 3.34Å; D107-Q109 WeakPolarHBondContact OD1-CA 3.36Å; D107-Q109 WeakPolarHBondContact OD1-CB 3.46Å; D107-Q109 PolarHBondContact OD1-N 3.43Å; D107-L110 HydrophobicContact CB-CB 3.94Å; D107-L110 PolarHBondContact OD1-N 3.09Å; D107-V162 PolarHBondContact N-O 2.99Å; D107-P336 HydrophobicContact CB-CB 3.73Å; D107-P336 HydrophobicContact CB-CG 3.99Å; D107-S338 VanDerWaalsContact OD2-CB 3.24Å; D107-S338 WeakPolarHBondContact OD2-CB 3.22Å; D107-S338 PolarHBondContact OD2-OG 3.41Å
108	P	94.3	Very high	97.5	Very high	76 Å²	76	54.7 Å²	54.7	49%	0.494	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.4	-179.5	27.5	-33.9	0	0	0	113.6	K111	P108-K111 PolarHBondContact O-NZ 2.86Å
109	Q	97.4	Very high	97.5	Very high	115 Å²	115	55.9 Å²	55.9	54%	0.537	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-30.4	-175.6	-60.3	-57.9	-19.8	0	0	113.1	D107 K111 W112 V113	D107-Q109 PolarHBondContact O-N 3.34Å; D107-Q109 WeakPolarHBondContact OD1-CA 3.36Å; D107-Q109 WeakPolarHBondContact OD1-CB 3.46Å; D107-Q109 PolarHBondContact OD1-N 3.43Å; Q109-K111 PolarHBondContact O-N 3.38Å; Q109-K111 VanDerWaalsContact O-N 3.11Å; Q109-W112 PolarHBondContact O-N 3.38Å; Q109-V113 PolarHBondContact O-N 2.92Å; Q109-V113 VanDerWaalsContact O-N 3.11Å
110	L	97.7	Very high	97.5	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.021	30%	0.298	C	S	.	.	H	α-helix	trans	-50	-44.3	-175.4	-178.6	62.2	0	0	0	112.3	D107 W112 V113 V114 D157 I158 V162 A163 F321	D107-L110 HydrophobicContact CB-CB 3.94Å; D107-L110 PolarHBondContact OD1-N 3.09Å; L110-W112 VanDerWaalsContact C-N 3.29Å; L110-W112 PolarHBondContact O-N 3.46Å; L110-V113 PolarHBondContact O-N 2.87Å; L110-V114 HydrophobicContact CD1-CG2 3.78Å; L110-V114 HydrophobicContact CG-CG2 4.26Å; L110-V114 VanDerWaalsContact O-CB 3.3Å; L110-V114 WeakPolarHBondContact O-CB 3.39Å; L110-V114 WeakPolarHBondContact O-CG2 3.49Å; L110-V114 PolarHBondContact O-N 2.88Å; L110-D157 HydrophobicContact CD2-CB 4.43Å; L110-I158 HydrophobicContact CD2-CG1 4.1Å; L110-V162 HydrophobicContact CD2-CG2 3.77Å; L110-A163 HydrophobicContact CD2-CB 4.08Å; L110-F321 HydrophobicContact CD1-CD1 3.81Å; L110-F321 HydrophobicContact CD1-CE1 3.82Å
111	K	97.6	Very high	97.5	Very high	51 Å²	51	55.5 Å²	55.5	22%	0.222	30%	0.298	C	S	.	.	H	α-helix	trans	-61.9	-33.5	179.3	64.1	175.8	176.5	-73.3	0	114.1	P108 Q109 S115 F164 F175	P108-K111 PolarHBondContact O-NZ 2.86Å; Q109-K111 PolarHBondContact O-N 3.38Å; Q109-K111 VanDerWaalsContact O-N 3.11Å; K111-S115 VanDerWaalsContact O-CB 3.24Å; K111-S115 WeakPolarHBondContact O-CB 3.33Å; K111-S115 PolarHBondContact O-N 2.95Å; K111-S115 VanDerWaalsContact O-N 3.1Å; K111-S115 PolarHBondContact O-OG 2.62Å; K111-F164 HydrophobicContact CB-CZ 4.2Å; K111-F164 HydrophobicContact CD-CE1 3.91Å; K111-F164 HydrophobicContact CD-CZ 4.17Å; K111-F175 VanDerWaalsContact CA-CZ 3.43Å; K111-F175 HydrophobicContact CB-CE1 4.09Å; K111-F175 HydrophobicContact CB-CE2 4.27Å; K111-F175 HydrophobicContact CB-CZ 3.85Å; K111-F175 WeakPolarHBondContact O-CZ 3.19Å
112	W	98.2	Very high	97.6	Very high	170 Å²	170	52.2 Å²	52.2	64%	0.644	29%	0.286	S	S	*	.	H	α-helix	trans	-78.7	-44.9	-178.8	-59.8	124.5	0	0	0	111.2	Q109 L110 S115 G116	Q109-W112 PolarHBondContact O-N 3.38Å; L110-W112 VanDerWaalsContact C-N 3.29Å; L110-W112 PolarHBondContact O-N 3.46Å; W112-S115 PolarHBondContact O-N 3.49Å; W112-G116 PolarHBondContact O-N 3.11Å
113	V	98.3	Very high	97.6	Very high	72 Å²	72	50.9 Å²	50.9	44%	0.436	28%	0.278	S	S	.	.	H	α-helix	trans	-60.7	-49.7	176.9	178.6	0	0	0	0	110.3	Q109 L110 S115 G116 L117 F321	Q109-V113 PolarHBondContact O-N 2.92Å; Q109-V113 VanDerWaalsContact O-N 3.11Å; L110-V113 PolarHBondContact O-N 2.87Å; V113-S115 PolarHBondContact O-N 3.41Å; V113-G116 PolarHBondContact O-N 3.48Å; V113-L117 WeakPolarHBondContact O-CG 3.15Å; V113-L117 PolarHBondContact O-N 3.49Å; V113-F321 HydrophobicContact CB-CE1 4.41Å; V113-F321 HydrophobicContact CG1-CE1 3.79Å; V113-F321 HydrophobicContact CG1-CZ 4.03Å
114	V	98.7	Very high	97.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.5	-42.3	179.2	170.5	0	0	0	0	111.5	L110 G116 L117 V118 L151 A154 I158 F175 A179 F321	L110-V114 HydrophobicContact CD1-CG2 3.78Å; L110-V114 HydrophobicContact CG-CG2 4.26Å; L110-V114 VanDerWaalsContact O-CB 3.3Å; L110-V114 WeakPolarHBondContact O-CB 3.39Å; L110-V114 WeakPolarHBondContact O-CG2 3.49Å; L110-V114 PolarHBondContact O-N 2.88Å; V114-G116 VanDerWaalsContact C-N 3.32Å; V114-G116 PolarHBondContact O-N 3.04Å; V114-L117 PolarHBondContact O-N 3.35Å; V114-V118 WeakPolarHBondContact O-CG2 3.28Å; V114-V118 PolarHBondContact O-N 3.3Å; V114-L151 HydrophobicContact CG1-CD2 3.94Å; V114-A154 HydrophobicContact CG2-CB 3.51Å; V114-I158 HydrophobicContact CG1-CD1 4.46Å; V114-F175 HydrophobicContact CB-CE1 3.92Å; V114-F175 HydrophobicContact CB-CZ 3.73Å; V114-F175 HydrophobicContact CG1-CE1 3.75Å; V114-F175 HydrophobicContact CG1-CZ 3.61Å; V114-F175 HydrophobicContact CG2-CE1 4.47Å; V114-A179 HydrophobicContact CG1-CB 3.58Å; V114-F321 HydrophobicContact CG2-CE1 4.35Å; V114-F321 HydrophobicContact CG2-CZ 4.11Å
115	S	98.7	Very high	97.7	Very high	28 Å²	28	47.6 Å²	47.6	20%	0.196	26%	0.262	C	S	.	.	H	α-helix	trans	-63.6	-39.8	175.8	-59.7	0	0	0	0	111.9	K111 W112 V113 V118 L119 F175	K111-S115 VanDerWaalsContact O-CB 3.24Å; K111-S115 WeakPolarHBondContact O-CB 3.33Å; K111-S115 PolarHBondContact O-N 2.95Å; K111-S115 VanDerWaalsContact O-N 3.1Å; K111-S115 PolarHBondContact O-OG 2.62Å; W112-S115 PolarHBondContact O-N 3.49Å; V113-S115 PolarHBondContact O-N 3.41Å; S115-V118 PolarHBondContact O-N 3.05Å; S115-L119 VanDerWaalsContact O-CG 3.27Å; S115-L119 WeakPolarHBondContact O-CG 3.44Å; S115-L119 PolarHBondContact O-N 2.96Å; S115-F175 WeakPolarHBondContact OG-CE2 3.39Å
116	G	98.8	Very high	98	Very high	28 Å²	28	52.5 Å²	52.5	29%	0.289	28%	0.275	S	S	.	.	H	α-helix	trans	-57.8	-47.2	173	0	0	0	0	0	112.2	W112 V113 V114 V118 L119 I120	W112-G116 PolarHBondContact O-N 3.11Å; V113-G116 PolarHBondContact O-N 3.48Å; V114-G116 VanDerWaalsContact C-N 3.32Å; V114-G116 PolarHBondContact O-N 3.04Å; G116-V118 PolarHBondContact O-N 3.5Å; G116-L119 PolarHBondContact O-N 3.27Å; G116-I120 WeakPolarHBondContact O-CB 3.13Å; G116-I120 VanDerWaalsContact O-CG1 3.23Å; G116-I120 WeakPolarHBondContact O-CG1 3.48Å; G116-I120 PolarHBondContact O-N 2.83Å
117	L	98.7	Very high	98	Very high	35 Å²	35	54.7 Å²	54.7	18%	0.183	28%	0.282	C	S	.	.	H	α-helix	trans	-61.6	-41.8	177.2	-69.1	178.3	0	0	0	112.8	V113 V114 I120 Q121 I147 L151 F321	V113-L117 WeakPolarHBondContact O-CG 3.15Å; V113-L117 PolarHBondContact O-N 3.49Å; V114-L117 PolarHBondContact O-N 3.35Å; L117-I120 PolarHBondContact O-N 2.8Å; L117-Q121 PolarHBondContact O-N 3.34Å; L117-I147 HydrophobicContact CB-CG2 4.02Å; L117-I147 HydrophobicContact CD2-CG2 4.19Å; L117-L151 HydrophobicContact CB-CD2 3.87Å; L117-L151 HydrophobicContact CB-CG 4.24Å; L117-L151 HydrophobicContact CD1-CD2 4.3Å; L117-F321 HydrophobicContact CD1-CE2 4.26Å; L117-F321 HydrophobicContact CD1-CZ 3.85Å
118	V	98.8	Very high	98.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.6	-47.2	175.3	174.1	0	0	0	0	110.8	V114 S115 G116 I120 Q121 L122 L151 W178 P182	V114-V118 WeakPolarHBondContact O-CG2 3.28Å; V114-V118 PolarHBondContact O-N 3.3Å; S115-V118 PolarHBondContact O-N 3.05Å; G116-V118 PolarHBondContact O-N 3.5Å; V118-I120 PolarHBondContact O-N 3.34Å; V118-Q121 PolarHBondContact O-N 2.98Å; V118-Q121 VanDerWaalsContact O-N 3.16Å; V118-L122 HydrophobicContact CG1-CD1 4.46Å; V118-L122 WeakPolarHBondContact O-CG 3.29Å; V118-L122 PolarHBondContact O-N 3.43Å; V118-L151 HydrophobicContact CG2-CD1 4.26Å; V118-L151 HydrophobicContact CG2-CD2 3.98Å; V118-W178 HydrophobicContact CB-CZ2 4.02Å; V118-W178 HydrophobicContact CG1-CD2 4.21Å; V118-W178 HydrophobicContact CG1-CH2 3.98Å; V118-W178 HydrophobicContact CG1-CZ2 3.5Å; V118-P182 HydrophobicContact CB-CG 4.21Å; V118-P182 HydrophobicContact CG1-CG 3.99Å; V118-P182 HydrophobicContact CG2-CG 4.04Å
119	L	98.7	Very high	98.2	Very high	95 Å²	95	52.5 Å²	52.5	50%	0.497	27%	0.265	S	S	.	.	H	α-helix	trans	-63.9	-40	178.7	-67.1	175.5	0	0	0	112.1	S115 G116 Q121 L122 V123 W178	S115-L119 VanDerWaalsContact O-CG 3.27Å; S115-L119 WeakPolarHBondContact O-CG 3.44Å; S115-L119 PolarHBondContact O-N 2.96Å; G116-L119 PolarHBondContact O-N 3.27Å; L119-Q121 VanDerWaalsContact C-N 3.28Å; L119-Q121 PolarHBondContact O-N 3.49Å; L119-L122 HydrophobicContact CD2-CD1 4.4Å; L119-L122 PolarHBondContact O-N 2.93Å; L119-V123 WeakPolarHBondContact O-CG2 3.23Å; L119-V123 PolarHBondContact O-N 2.81Å; L119-W178 HydrophobicContact CD2-CH2 4.36Å; L119-W178 HydrophobicContact CD2-CZ2 4.24Å
120	I	98.6	Very high	98.1	Very high	79 Å²	79	53.4 Å²	53.4	41%	0.405	27%	0.273	S	S	.	.	H	α-helix	trans	-58.6	-42.6	173.7	-72	164.4	0	0	0	110.3	G116 L117 V118 V123 A124 F143 I147	G116-I120 WeakPolarHBondContact O-CB 3.13Å; G116-I120 VanDerWaalsContact O-CG1 3.23Å; G116-I120 WeakPolarHBondContact O-CG1 3.48Å; G116-I120 PolarHBondContact O-N 2.83Å; L117-I120 PolarHBondContact O-N 2.8Å; V118-I120 PolarHBondContact O-N 3.34Å; I120-V123 PolarHBondContact O-N 2.91Å; I120-A124 PolarHBondContact O-N 3.41Å; I120-F143 HydrophobicContact CG2-CE1 4.13Å; I120-F143 HydrophobicContact CG2-CZ 3.74Å; I120-I147 HydrophobicContact CG2-CD1 3.73Å
121	Q	98.1	Very high	98.1	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-67.7	-34	176.7	-84.4	-63.9	77	0	0	114.1	L117 V118 L119 A124 C125 G144 I147 N148 P182 Y278	L117-Q121 PolarHBondContact O-N 3.34Å; V118-Q121 PolarHBondContact O-N 2.98Å; V118-Q121 VanDerWaalsContact O-N 3.16Å; L119-Q121 VanDerWaalsContact C-N 3.28Å; L119-Q121 PolarHBondContact O-N 3.49Å; Q121-A124 PolarHBondContact O-N 3.08Å; Q121-C125 PolarHBondContact O-N 3.49Å; Q121-C125 PolarHBondContact O-SG 2.71Å; Q121-G144 PolarHBondContact NE2-O 3.37Å; Q121-I147 HydrophobicContact CG-CB 3.93Å; Q121-I147 HydrophobicContact CG-CD1 4.21Å; Q121-I147 HydrophobicContact CG-CG2 3.5Å; Q121-N148 PolarHBondContact NE2-OD1 3.48Å; Q121-P182 HydrophobicContact CB-CB 3.74Å; Q121-P182 HydrophobicContact CB-CG 3.9Å; Q121-P182 HydrophobicContact CG-CB 3.93Å; Q121-P182 HydrophobicContact CG-CG 4.42Å; Q121-Y278 PolarHBondContact OE1-OH 3.1Å
122	L	98.1	Very high	98.1	Very high	46 Å²	46	56 Å²	56	24%	0.241	29%	0.294	C	S	.	.	H	α-helix	trans	-66.7	-38.5	172.9	-65.7	177.1	0	0	0	111.7	V118 L119 C125 Y126 I267	V118-L122 HydrophobicContact CG1-CD1 4.46Å; V118-L122 WeakPolarHBondContact O-CG 3.29Å; V118-L122 PolarHBondContact O-N 3.43Å; L119-L122 HydrophobicContact CD2-CD1 4.4Å; L119-L122 PolarHBondContact O-N 2.93Å; L122-C125 WeakPolarHBondContact O-CB 3.44Å; L122-C125 PolarHBondContact O-N 3.38Å; L122-Y126 PolarHBondContact O-N 3.31Å; L122-I267 HydrophobicContact CD2-CD1 3.99Å; L122-I267 HydrophobicContact CD2-CG1 4.49Å
123	V	98.4	Very high	98.1	Very high	85 Å²	85	53.4 Å²	53.4	52%	0.515	28%	0.284	S	S	.	.	H	α-helix	trans	-64.5	-42.7	171.8	174.1	0	0	0	0	110.6	L119 I120 C125 Y126 L127	L119-V123 WeakPolarHBondContact O-CG2 3.23Å; L119-V123 PolarHBondContact O-N 2.81Å; I120-V123 PolarHBondContact O-N 2.91Å; V123-C125 VanDerWaalsContact C-N 3.28Å; V123-C125 PolarHBondContact O-N 3Å; V123-Y126 WeakPolarHBondContact O-CB 3.09Å; V123-Y126 PolarHBondContact O-N 2.85Å; V123-Y126 VanDerWaalsContact O-N 3.14Å; V123-L127 HydrophobicContact CG1-CD1 4.16Å; V123-L127 HydrophobicContact CG1-CG 4.42Å; V123-L127 WeakPolarHBondContact O-CG 2.93Å; V123-L127 PolarHBondContact O-N 3.39Å
124	A	98.3	Very high	98.1	Very high	8 Å²	8	57.1 Å²	57.1	7%	0.066	29%	0.294	C	S	.	.	H	α-helix	trans	-60.1	-39.3	175.9	0	0	0	0	0	111.8	I120 Q121 Y126 L127 V128 F143 Y278	I120-A124 PolarHBondContact O-N 3.41Å; Q121-A124 PolarHBondContact O-N 3.08Å; A124-Y126 VanDerWaalsContact C-N 3.32Å; A124-Y126 PolarHBondContact O-N 3.22Å; A124-L127 PolarHBondContact O-N 3.28Å; A124-V128 WeakPolarHBondContact O-CG1 3.18Å; A124-V128 WeakPolarHBondContact O-CG2 3.33Å; A124-V128 PolarHBondContact O-N 3.34Å; A124-F143 HydrophobicContact CB-CE1 4.08Å; A124-Y278 HydrophobicContact CB-CE1 4.07Å
125	C	98.3	Very high	98.1	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-55.9	-45.3	173.3	-72.9	0	0	0	0	112.3	Q121 L122 V123 V128 W271 P275	Q121-C125 PolarHBondContact O-N 3.49Å; Q121-C125 PolarHBondContact O-SG 2.71Å; L122-C125 WeakPolarHBondContact O-CB 3.44Å; L122-C125 PolarHBondContact O-N 3.38Å; V123-C125 VanDerWaalsContact C-N 3.28Å; V123-C125 PolarHBondContact O-N 3Å; C125-V128 WeakPolarHBondContact O-CG2 3.01Å; C125-W271 HydrophobicContact CB-CE3 3.89Å; C125-W271 HydrophobicContact CB-CZ3 3.86Å; C125-P275 HydrophobicContact CB-CB 3.78Å; C125-P275 VanDerWaalsContact O-CG 3.22Å; C125-P275 WeakPolarHBondContact O-CG 3.47Å
126	Y	97.9	Very high	98.1	Very high	127 Å²	127	61.2 Å²	61.2	50%	0.498	31%	0.306	S	S	.	.	H	α-helix	trans	-61.3	-45	172.9	171.6	-112.1	0	0	0	111.6	L122 V123 A124 V128 H129 W271	L122-Y126 PolarHBondContact O-N 3.31Å; V123-Y126 WeakPolarHBondContact O-CB 3.09Å; V123-Y126 PolarHBondContact O-N 2.85Å; V123-Y126 VanDerWaalsContact O-N 3.14Å; A124-Y126 VanDerWaalsContact C-N 3.32Å; A124-Y126 PolarHBondContact O-N 3.22Å; Y126-V128 PolarHBondContact O-N 3.49Å; Y126-H129 AromaticContact CD2-CD2 3.71Å; Y126-H129 AromaticContact CD2-NE2 3.77Å; Y126-H129 AromaticContact CE2-NE2 3.67Å; Y126-H129 PolarHBondContact O-CD2 3.46Å; Y126-H129 PolarHBondContact O-N 2.79Å; Y126-W271 AromaticContact CD2-CD1 3.99Å; Y126-W271 AromaticContact CD2-CE2 3.98Å; Y126-W271 HydrophobicContact CD2-CZ2 4.41Å; Y126-W271 AromaticContact CD2-NE1 3.44Å
127	L	97.9	Very high	98.1	Very high	112 Å²	112	64.6 Å²	64.6	59%	0.586	31%	0.313	S	S	*	.	H	α-helix	trans	-67.2	-33.4	-177.3	-63.5	175.5	0	0	0	113.6	V123 A124	V123-L127 HydrophobicContact CG1-CD1 4.16Å; V123-L127 HydrophobicContact CG1-CG 4.42Å; V123-L127 WeakPolarHBondContact O-CG 2.93Å; V123-L127 PolarHBondContact O-N 3.39Å; A124-L127 PolarHBondContact O-N 3.28Å
128	V	97.9	Very high	98	Very high	5 Å²	5	68.1 Å²	68.1	3%	0.03	33%	0.327	C	S	.	.	H	α-helix	trans	-80.2	-14.8	-176.4	-60.3	0	0	0	0	114	A124 C125 Y126 N130 L131 P275 Y278	A124-V128 WeakPolarHBondContact O-CG1 3.18Å; A124-V128 WeakPolarHBondContact O-CG2 3.33Å; A124-V128 PolarHBondContact O-N 3.34Å; C125-V128 WeakPolarHBondContact O-CG2 3.01Å; Y126-V128 PolarHBondContact O-N 3.49Å; V128-N130 VanDerWaalsContact C-N 3.26Å; V128-N130 PolarHBondContact O-N 3.37Å; V128-L131 HydrophobicContact CB-CD1 4.18Å; V128-L131 HydrophobicContact CG1-CD1 4.07Å; V128-L131 WeakPolarHBondContact O-CB 3.3Å; V128-L131 PolarHBondContact O-N 3.08Å; V128-L131 VanDerWaalsContact O-N 3.08Å; V128-P275 HydrophobicContact CG2-CB 4.23Å; V128-P275 HydrophobicContact CG2-CG 4.12Å; V128-Y278 HydrophobicContact CG1-CD2 3.91Å; V128-Y278 HydrophobicContact CG1-CE2 3.97Å; V128-Y278 HydrophobicContact CG1-CG 4.29Å; V128-Y278 HydrophobicContact CG2-CD1 4.21Å; V128-Y278 HydrophobicContact CG2-CD2 4.39Å; V128-Y278 HydrophobicContact CG2-CG 3.96Å
129	H	96.8	Very high	98	Very high	42 Å²	42	73.5 Å²	73.5	19%	0.194	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-27.5	-169.3	84.6	68.9	0	0	0	114	Y126 W271 K274 P275	Y126-H129 AromaticContact CD2-CD2 3.71Å; Y126-H129 AromaticContact CD2-NE2 3.77Å; Y126-H129 AromaticContact CE2-NE2 3.67Å; Y126-H129 PolarHBondContact O-CD2 3.46Å; Y126-H129 PolarHBondContact O-N 2.79Å; H129-W271 HydrophobicContact CB-CB 3.83Å; H129-W271 HydrophobicContact CB-CG 4.49Å; H129-W271 WeakPolarHBondContact CB-O 3.5Å; H129-W271 AromaticContact CD2-CD1 3.65Å; H129-K274 WeakPolarHBondContact O-CD 3.46Å; H129-K274 PolarHBondContact O-NZ 2.98Å; H129-P275 HydrophobicContact CB-CG 3.88Å
130	N	95.6	Very high	98	Very high	133 Å²	133	69 Å²	69	71%	0.711	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-1.8	178	-78.6	-22.6	0	0	0	113.9	V128	V128-N130 VanDerWaalsContact C-N 3.26Å; V128-N130 PolarHBondContact O-N 3.37Å
131	L	97.8	Very high	97.9	Very high	52 Å²	52	69.8 Å²	69.8	27%	0.272	32%	0.322	S	S	.	.	S	Bend	trans	-73	155	-179.1	-62.4	-176.9	0	0	0	112	V128 W135 V136 K274	V128-L131 HydrophobicContact CB-CD1 4.18Å; V128-L131 HydrophobicContact CG1-CD1 4.07Å; V128-L131 WeakPolarHBondContact O-CB 3.3Å; V128-L131 PolarHBondContact O-N 3.08Å; V128-L131 VanDerWaalsContact O-N 3.08Å; L131-W135 HydrophobicContact CB-CB 4.1Å; L131-W135 HydrophobicContact CD1-CB 4.13Å; L131-V136 HydrophobicContact CB-CG2 4.17Å; L131-K274 WeakPolarHBondContact O-CD 3.26Å; L131-K274 VanDerWaalsContact O-CE 3.29Å; L131-K274 WeakPolarHBondContact O-CE 3.46Å; L131-K274 PolarHBondContact O-NZ 2.86Å
132	S	98.3	Very high	97.8	Very high	58 Å²	58	72 Å²	72	41%	0.406	35%	0.345	S	S	.	.			trans	-70.7	152.8	165.9	57.3	0	0	0	0	110.4	K134 W135 V136	S132-K134 VanDerWaalsContact C-N 3.26Å; S132-K134 PolarHBondContact O-N 2.98Å; S132-K134 VanDerWaalsContact O-N 3.14Å; S132-W135 PolarHBondContact O-N 2.77Å; S132-W135 VanDerWaalsContact OG-CD1 3.29Å; S132-V136 PolarHBondContact O-N 3.37Å; S132-V136 VanDerWaalsContact O-N 3.13Å
133	W	98.4	Very high	97.8	Very high	116 Å²	116	73.7 Å²	73.7	44%	0.439	35%	0.35	S	S	.	.	H	α-helix	trans	-53.1	-38.6	-173.9	-75.1	111.3	0	0	0	114.4	W135 V136 F137 L273 K274 V277	W133-W135 PolarHBondContact O-N 2.9Å; W133-V136 HydrophobicContact CE3-CB 4.4Å; W133-V136 HydrophobicContact CE3-CG1 4.45Å; W133-V136 HydrophobicContact CE3-CG2 4.5Å; W133-V136 WeakPolarHBondContact O-CB 3.47Å; W133-V136 PolarHBondContact O-N 3.5Å; W133-V136 VanDerWaalsContact O-N 3.12Å; W133-F137 HydrophobicContact CE3-CE2 4.23Å; W133-F137 VanDerWaalsContact O-CD2 3.27Å; W133-F137 WeakPolarHBondContact O-CD2 3.48Å; W133-F137 PolarHBondContact O-N 3.32Å; W133-L273 HydrophobicContact CH2-CD2 4.4Å; W133-L273 HydrophobicContact CH2-CG 4.4Å; W133-K274 HydrophobicContact CE3-CG 4.36Å; W133-K274 HydrophobicContact CH2-CG 3.77Å; W133-K274 HydrophobicContact CZ2-CG 3.96Å; W133-K274 HydrophobicContact CZ3-CG 3.98Å; W133-V277 HydrophobicContact CH2-CB 4.45Å; W133-V277 HydrophobicContact CH2-CG2 4.09Å; W133-V277 HydrophobicContact CZ3-CB 3.93Å; W133-V277 HydrophobicContact CZ3-CG1 3.85Å; W133-V277 HydrophobicContact CZ3-CG2 4.03Å
134	K	98	Very high	97.8	Very high	149 Å²	149	69.6 Å²	69.6	65%	0.648	33%	0.326	S	S	*	.	H	α-helix	trans	-56.7	-39.3	176	66.5	177.9	-175.8	176.6	0	112.7	S132 F138	S132-K134 VanDerWaalsContact C-N 3.26Å; S132-K134 PolarHBondContact O-N 2.98Å; S132-K134 VanDerWaalsContact O-N 3.14Å; K134-F138 WeakPolarHBondContact O-CB 3.41Å; K134-F138 PolarHBondContact O-N 3.14Å
135	W	98.1	Very high	97.7	Very high	115 Å²	115	69.2 Å²	69.2	44%	0.436	32%	0.323	S	S	.	.	H	α-helix	trans	-78.9	-29.3	179.2	-69.9	126.3	0	0	0	112.1	L131 S132 W133 F138 W139	L131-W135 HydrophobicContact CB-CB 4.1Å; L131-W135 HydrophobicContact CD1-CB 4.13Å; S132-W135 PolarHBondContact O-N 2.77Å; S132-W135 VanDerWaalsContact OG-CD1 3.29Å; W133-W135 PolarHBondContact O-N 2.9Å; W135-F138 HydrophobicContact CE3-CB 3.97Å; W135-F138 AromaticContact CE3-CD1 3.75Å; W135-F138 HydrophobicContact CE3-CD1 3.75Å; W135-F138 HydrophobicContact CE3-CE1 4.46Å; W135-F138 AromaticContact CE3-CG 3.88Å; W135-F138 HydrophobicContact CE3-CG 3.88Å; W135-F138 HydrophobicContact CZ3-CB 4.48Å; W135-F138 AromaticContact CZ3-CD1 3.85Å; W135-F138 HydrophobicContact CZ3-CD1 3.85Å; W135-F138 HydrophobicContact CZ3-CD2 4.39Å; W135-F138 HydrophobicContact CZ3-CE1 4.16Å; W135-F138 AromaticContact CZ3-CG 3.97Å; W135-F138 HydrophobicContact CZ3-CG 3.97Å; W135-F138 PolarHBondContact O-N 2.9Å; W135-W139 WeakPolarHBondContact O-CB 3.44Å; W135-W139 PolarHBondContact O-N 3.38Å
136	V	98.6	Very high	97.7	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-58.5	-50.6	170.2	177.8	0	0	0	0	110	L131 S132 W133 W139 A140 K274	L131-V136 HydrophobicContact CB-CG2 4.17Å; S132-V136 PolarHBondContact O-N 3.37Å; S132-V136 VanDerWaalsContact O-N 3.13Å; W133-V136 HydrophobicContact CE3-CB 4.4Å; W133-V136 HydrophobicContact CE3-CG1 4.45Å; W133-V136 HydrophobicContact CE3-CG2 4.5Å; W133-V136 WeakPolarHBondContact O-CB 3.47Å; W133-V136 PolarHBondContact O-N 3.5Å; W133-V136 VanDerWaalsContact O-N 3.12Å; V136-W139 PolarHBondContact O-N 3.34Å; V136-A140 VanDerWaalsContact O-CB 3.22Å; V136-A140 WeakPolarHBondContact O-CB 3.22Å; V136-A140 PolarHBondContact O-N 3.04Å; V136-K274 HydrophobicContact CG2-CB 4.2Å; V136-K274 HydrophobicContact CG2-CD 4.17Å; V136-K274 HydrophobicContact CG2-CG 4.29Å
137	F	98.3	Very high	97.7	Very high	98 Å²	98	65.2 Å²	65.2	43%	0.43	31%	0.311	S	S	.	.	H	α-helix	trans	-68.8	-38	178.7	-73.7	-70.7	0	0	0	113.3	W133 W139 A140 Y141 V277 A281	W133-F137 HydrophobicContact CE3-CE2 4.23Å; W133-F137 VanDerWaalsContact O-CD2 3.27Å; W133-F137 WeakPolarHBondContact O-CD2 3.48Å; W133-F137 PolarHBondContact O-N 3.32Å; F137-W139 PolarHBondContact O-N 3.29Å; F137-A140 PolarHBondContact O-N 2.92Å; F137-Y141 PolarHBondContact O-N 2.92Å; F137-V277 HydrophobicContact CE1-CG1 4.2Å; F137-V277 HydrophobicContact CZ-CG1 4.03Å; F137-A281 HydrophobicContact CD1-CB 4.09Å; F137-A281 HydrophobicContact CE1-CB 3.84Å
138	F	97.8	Very high	97.7	Very high	110 Å²	110	59.9 Å²	59.9	48%	0.482	28%	0.284	S	S	.	.	H	α-helix	trans	-56.9	-50.6	174	175.2	-94.1	0	0	0	111.6	K134 W135 Y141 G142	K134-F138 WeakPolarHBondContact O-CB 3.41Å; K134-F138 PolarHBondContact O-N 3.14Å; W135-F138 HydrophobicContact CE3-CB 3.97Å; W135-F138 AromaticContact CE3-CD1 3.75Å; W135-F138 HydrophobicContact CE3-CD1 3.75Å; W135-F138 HydrophobicContact CE3-CE1 4.46Å; W135-F138 AromaticContact CE3-CG 3.88Å; W135-F138 HydrophobicContact CE3-CG 3.88Å; W135-F138 HydrophobicContact CZ3-CB 4.48Å; W135-F138 AromaticContact CZ3-CD1 3.85Å; W135-F138 HydrophobicContact CZ3-CD1 3.85Å; W135-F138 HydrophobicContact CZ3-CD2 4.39Å; W135-F138 HydrophobicContact CZ3-CE1 4.16Å; W135-F138 AromaticContact CZ3-CG 3.97Å; W135-F138 HydrophobicContact CZ3-CG 3.97Å; W135-F138 PolarHBondContact O-N 2.9Å; F138-Y141 PolarHBondContact O-N 3.07Å; F138-G142 PolarHBondContact O-N 3.19Å
139	W	98.2	Very high	97.7	Very high	112 Å²	112	59.7 Å²	59.7	42%	0.424	28%	0.282	S	S	.	.	H	α-helix	trans	-72.5	-30.5	178.6	-73.1	119	0	0	0	112.9	W135 V136 F137 Y141 F143 G144 Y278	W135-W139 WeakPolarHBondContact O-CB 3.44Å; W135-W139 PolarHBondContact O-N 3.38Å; V136-W139 PolarHBondContact O-N 3.34Å; F137-W139 PolarHBondContact O-N 3.29Å; W139-Y141 VanDerWaalsContact C-N 3.3Å; W139-Y141 PolarHBondContact O-N 2.88Å; W139-F143 HydrophobicContact CE3-CB 3.78Å; W139-F143 HydrophobicContact CZ3-CB 4.27Å; W139-F143 PolarHBondContact O-N 3Å; W139-G144 PolarHBondContact O-N 2.82Å; W139-Y278 HydrophobicContact CB-CE2 3.97Å
140	A	98.1	Very high	97.7	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.276	C	S	.	.	I	π-helix	trans	-60.8	-41.4	173.2	0	0	0	0	0	110.7	V136 F137 G145 Y278 A281 G282	V136-A140 VanDerWaalsContact O-CB 3.22Å; V136-A140 WeakPolarHBondContact O-CB 3.22Å; V136-A140 PolarHBondContact O-N 3.04Å; F137-A140 PolarHBondContact O-N 2.92Å; A140-G145 VanDerWaalsContact O-CA 3.3Å; A140-G145 WeakPolarHBondContact O-CA 3.39Å; A140-G145 PolarHBondContact O-N 3.1Å; A140-Y278 HydrophobicContact CB-CD2 3.84Å; A140-Y278 HydrophobicContact CB-CE2 4.35Å; A140-A281 HydrophobicContact CB-CB 4.33Å; A140-G282 VanDerWaalsContact O-CA 3.3Å; A140-G282 WeakPolarHBondContact O-CA 3.27Å
141	Y	97.4	Very high	97.9	Very high	97 Å²	97	51.8 Å²	51.8	38%	0.38	24%	0.242	S	C	.	.	I	π-helix	trans	-75.9	-54.3	175.9	-174.6	-100.1	0	0	0	112.6	F137 F138 W139 F143 L285 C286 H290	F137-Y141 PolarHBondContact O-N 2.92Å; F138-Y141 PolarHBondContact O-N 3.07Å; W139-Y141 VanDerWaalsContact C-N 3.3Å; W139-Y141 PolarHBondContact O-N 2.88Å; Y141-F143 PolarHBondContact O-N 2.88Å; Y141-L285 HydrophobicContact CD2-CB 3.9Å; Y141-L285 HydrophobicContact CD2-CD1 4.38Å; Y141-C286 PolarHBondContact O-SG 3.2Å; Y141-C286 VanDerWaalsContact O-SG 3.38Å; Y141-H290 HydrophobicContact CE2-CB 4.48Å; Y141-H290 AromaticContact CE2-CD2 3.77Å; Y141-H290 AromaticContact CZ-CD2 3.64Å
142	G	96.4	Very high	97.8	Very high	47 Å²	47	49.9 Å²	49.9	49%	0.485	23%	0.233	S	C	.	.	I	π-helix	trans	-77.2	-18	-168.4	0	0	0	0	0	115.6	F138	F138-G142 PolarHBondContact O-N 3.19Å
143	F	97.8	Very high	97.8	Very high	81 Å²	81	47.5 Å²	47.5	36%	0.355	22%	0.216	S	C	.	.	I	π-helix	trans	-136.5	-58.4	-175.2	-177	-98.5	0	0	0	112.8	I120 A124 W139 Y141 G145 C146 I147 Y278	I120-F143 HydrophobicContact CG2-CE1 4.13Å; I120-F143 HydrophobicContact CG2-CZ 3.74Å; A124-F143 HydrophobicContact CB-CE1 4.08Å; W139-F143 HydrophobicContact CE3-CB 3.78Å; W139-F143 HydrophobicContact CZ3-CB 4.27Å; W139-F143 PolarHBondContact O-N 3Å; Y141-F143 PolarHBondContact O-N 2.88Å; F143-G145 PolarHBondContact O-N 2.86Å; F143-C146 WeakPolarHBondContact O-CB 3.36Å; F143-C146 PolarHBondContact O-N 3.33Å; F143-I147 HydrophobicContact CD1-CD1 3.96Å; F143-I147 HydrophobicContact CD2-CD1 4.46Å; F143-I147 HydrophobicContact CE1-CD1 3.4Å; F143-I147 VanDerWaalsContact CE1-CD1 3.4Å; F143-I147 HydrophobicContact CE2-CD1 3.98Å; F143-I147 HydrophobicContact CG-CD1 4.46Å; F143-I147 HydrophobicContact CZ-CD1 3.43Å; F143-I147 VanDerWaalsContact CZ-CD1 3.43Å; F143-I147 PolarHBondContact O-N 3.42Å; F143-I147 VanDerWaalsContact O-N 3.11Å; F143-Y278 WeakPolarHBondContact CD1-OH 3.45Å
144	G	97.8	Very high	97.8	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.195	C	C	.	.	I	π-helix	trans	-63.3	-45.3	-173.7	0	0	0	0	0	112.7	Q121 W139 I147 N148 Y278	Q121-G144 PolarHBondContact NE2-O 3.37Å; W139-G144 PolarHBondContact O-N 2.82Å; G144-I147 PolarHBondContact O-N 2.94Å; G144-N148 WeakPolarHBondContact O-CB 3.32Å; G144-N148 VanDerWaalsContact O-CG 3.26Å; G144-N148 PolarHBondContact O-N 3.43Å; G144-N148 PolarHBondContact O-OD1 3.08Å; G144-Y278 WeakPolarHBondContact CA-OH 3.33Å; G144-Y278 PolarHBondContact N-OH 3.48Å
145	G	97.2	Very high	97.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-66	-36.9	178.1	0	0	0	0	0	112.6	A140 F143 N148 H149 G282 C286	A140-G145 VanDerWaalsContact O-CA 3.3Å; A140-G145 WeakPolarHBondContact O-CA 3.39Å; A140-G145 PolarHBondContact O-N 3.1Å; F143-G145 PolarHBondContact O-N 2.86Å; G145-N148 PolarHBondContact O-N 3.13Å; G145-H149 WeakPolarHBondContact O-CB 3.45Å; G145-H149 PolarHBondContact O-N 3.01Å; G145-G282 VanDerWaalsContact CA-O 3.28Å; G145-G282 WeakPolarHBondContact CA-O 3.22Å; G145-C286 VanDerWaalsContact C-CB 3.42Å; G145-C286 WeakPolarHBondContact CA-SG 3.48Å; G145-C286 VanDerWaalsContact O-CB 3.32Å; G145-C286 WeakPolarHBondContact O-CB 3.27Å
146	C	97.5	Very high	97.8	Very high	27 Å²	27	30.2 Å²	30.2	18%	0.182	15%	0.147	C	C	.	.	H	α-helix	trans	-58.8	-47.9	171.5	-63.1	0	0	0	0	111.2	F143 H149 S150 F292	F143-C146 WeakPolarHBondContact O-CB 3.36Å; F143-C146 PolarHBondContact O-N 3.33Å; C146-H149 PolarHBondContact O-N 3.31Å; C146-S150 PolarHBondContact O-N 2.8Å; C146-S150 PolarHBondContact O-OG 3.12Å; C146-S150 VanDerWaalsContact O-OG 3.08Å; C146-F292 HydrophobicContact CB-CE2 4.19Å; C146-F292 HydrophobicContact CB-CZ 4.36Å
147	I	98.2	Very high	97.8	Very high	15 Å²	15	30.4 Å²	30.4	8%	0.077	15%	0.148	C	C	.	.	H	α-helix	trans	-66.9	-43.2	178.2	-62.9	168.6	0	0	0	111.1	L117 I120 Q121 F143 G144 H149 S150 L151	L117-I147 HydrophobicContact CB-CG2 4.02Å; L117-I147 HydrophobicContact CD2-CG2 4.19Å; I120-I147 HydrophobicContact CG2-CD1 3.73Å; Q121-I147 HydrophobicContact CG-CB 3.93Å; Q121-I147 HydrophobicContact CG-CD1 4.21Å; Q121-I147 HydrophobicContact CG-CG2 3.5Å; F143-I147 HydrophobicContact CD1-CD1 3.96Å; F143-I147 HydrophobicContact CD2-CD1 4.46Å; F143-I147 HydrophobicContact CE1-CD1 3.4Å; F143-I147 VanDerWaalsContact CE1-CD1 3.4Å; F143-I147 HydrophobicContact CE2-CD1 3.98Å; F143-I147 HydrophobicContact CG-CD1 4.46Å; F143-I147 HydrophobicContact CZ-CD1 3.43Å; F143-I147 VanDerWaalsContact CZ-CD1 3.43Å; F143-I147 PolarHBondContact O-N 3.42Å; F143-I147 VanDerWaalsContact O-N 3.11Å; G144-I147 PolarHBondContact O-N 2.94Å; I147-H149 VanDerWaalsContact C-N 3.31Å; I147-H149 PolarHBondContact O-N 2.91Å; I147-S150 WeakPolarHBondContact O-CB 3.43Å; I147-S150 PolarHBondContact O-N 3.08Å; I147-L151 HydrophobicContact CG2-CD1 3.92Å; I147-L151 HydrophobicContact CG2-CG 4.26Å; I147-L151 WeakPolarHBondContact O-CB 3.43Å; I147-L151 WeakPolarHBondContact O-CG 3.39Å; I147-L151 PolarHBondContact O-N 2.95Å
148	N	97.8	Very high	97.8	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-59	-45	177	-76.1	15.1	0	0	0	110.8	Q121 G144 G145 L151 T152 P182 I183 L279 S283	Q121-N148 PolarHBondContact NE2-OD1 3.48Å; G144-N148 WeakPolarHBondContact O-CB 3.32Å; G144-N148 VanDerWaalsContact O-CG 3.26Å; G144-N148 PolarHBondContact O-N 3.43Å; G144-N148 PolarHBondContact O-OD1 3.08Å; G145-N148 PolarHBondContact O-N 3.13Å; N148-L151 CarbonylContact O-C 3.16Å; N148-L151 WeakPolarHBondContact O-CB 3.4Å; N148-L151 PolarHBondContact O-N 2.99Å; N148-L151 VanDerWaalsContact O-N 3.15Å; N148-T152 WeakPolarHBondContact O-CG2 3.49Å; N148-T152 PolarHBondContact O-N 3.09Å; N148-P182 PolarHBondContact ND2-O 2.74Å; N148-P182 PolarHBondContact OD1-O 3.07Å; N148-I183 HydrophobicContact CB-CD1 3.78Å; N148-I183 VanDerWaalsContact O-CD1 3.23Å; N148-I183 WeakPolarHBondContact O-CD1 3.33Å; N148-L279 PolarHBondContact ND2-O 3.15Å; N148-S283 PolarHBondContact ND2-OG 3.43Å
149	H	97.1	Very high	97.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63.7	-43.1	176.1	-162	117.4	0	0	0	111.6	G145 C146 I147 L151 T152 L153 C286 F292 H295 F296	G145-H149 WeakPolarHBondContact O-CB 3.45Å; G145-H149 PolarHBondContact O-N 3.01Å; C146-H149 PolarHBondContact O-N 3.31Å; I147-H149 VanDerWaalsContact C-N 3.31Å; I147-H149 PolarHBondContact O-N 2.91Å; H149-L151 VanDerWaalsContact C-N 3.28Å; H149-L151 PolarHBondContact O-N 2.85Å; H149-T152 PolarHBondContact O-N 3.38Å; H149-T152 PolarHBondContact O-OG1 2.94Å; H149-L153 WeakPolarHBondContact O-CG 3.3Å; H149-L153 PolarHBondContact O-N 3.48Å; H149-C286 HydrophobicContact CB-CB 4.35Å; H149-C286 PolarHBondContact CE1-O 2.85Å; H149-C286 PolarHBondContact ND1-O 2.93Å; H149-F292 HydrophobicContact CB-CD2 4.03Å; H149-F292 AromaticContact CD2-CD2 3.98Å; H149-F292 AromaticContact CG-CD2 3.99Å; H149-H295 AromaticContact CE1-CD2 3.88Å; H149-H295 AromaticContact CE1-NE2 3.81Å; H149-H295 AromaticContact NE2-CD2 3.22Å; H149-H295 PolarHBondContact NE2-CD2 3.06Å; H149-H295 AromaticContact NE2-NE2 3.19Å; H149-H295 PolarHBondContact NE2-NE2 3.42Å; H149-H295 VanDerWaalsContact NE2-NE2 3.19Å; H149-F296 AromaticContact CE1-CE2 3.93Å
150	S	97.8	Very high	97.8	Very high	10 Å²	10	16.1 Å²	16.1	7%	0.07	9%	0.089	C	C	.	.	H	α-helix	trans	-57.8	-41.8	171.5	-63.6	0	0	0	0	111.8	C146 I147 L153 A154 L319 F321	C146-S150 PolarHBondContact O-N 2.8Å; C146-S150 PolarHBondContact O-OG 3.12Å; C146-S150 VanDerWaalsContact O-OG 3.08Å; I147-S150 WeakPolarHBondContact O-CB 3.43Å; I147-S150 PolarHBondContact O-N 3.08Å; S150-L153 PolarHBondContact O-N 2.84Å; S150-A154 PolarHBondContact O-N 3.48Å; S150-L319 VanDerWaalsContact CB-O 3.27Å; S150-L319 WeakPolarHBondContact CB-O 3.26Å; S150-L319 PolarHBondContact OG-O 3.19Å; S150-F321 VanDerWaalsContact O-CE2 3.27Å; S150-F321 WeakPolarHBondContact O-CE2 3.22Å
151	L	98.5	Very high	97.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-67.9	-32	177.6	-73.8	169.8	0	0	0	112.6	V114 L117 V118 I147 N148 H149 L153 A154 I155 A179 P182 I183	V114-L151 HydrophobicContact CG1-CD2 3.94Å; L117-L151 HydrophobicContact CB-CD2 3.87Å; L117-L151 HydrophobicContact CB-CG 4.24Å; L117-L151 HydrophobicContact CD1-CD2 4.3Å; V118-L151 HydrophobicContact CG2-CD1 4.26Å; V118-L151 HydrophobicContact CG2-CD2 3.98Å; I147-L151 HydrophobicContact CG2-CD1 3.92Å; I147-L151 HydrophobicContact CG2-CG 4.26Å; I147-L151 WeakPolarHBondContact O-CB 3.43Å; I147-L151 WeakPolarHBondContact O-CG 3.39Å; I147-L151 PolarHBondContact O-N 2.95Å; N148-L151 CarbonylContact O-C 3.16Å; N148-L151 WeakPolarHBondContact O-CB 3.4Å; N148-L151 PolarHBondContact O-N 2.99Å; N148-L151 VanDerWaalsContact O-N 3.15Å; H149-L151 VanDerWaalsContact C-N 3.28Å; H149-L151 PolarHBondContact O-N 2.85Å; L151-L153 VanDerWaalsContact C-N 3.29Å; L151-L153 PolarHBondContact O-N 3.33Å; L151-A154 WeakPolarHBondContact O-CB 3.4Å; L151-A154 PolarHBondContact O-N 2.92Å; L151-I155 WeakPolarHBondContact O-CG1 3.37Å; L151-I155 PolarHBondContact O-N 3.24Å; L151-A179 HydrophobicContact CD2-CB 4.45Å; L151-P182 HydrophobicContact CD1-CB 3.76Å; L151-P182 HydrophobicContact CD1-CG 3.56Å; L151-I183 HydrophobicContact CB-CD1 4.27Å
152	T	97.7	Very high	97.7	Very high	12 Å²	12	12.8 Å²	12.8	7%	0.074	8%	0.078	C	C	.	.	H	α-helix	trans	-64.6	-38.2	172.6	58.5	0	0	0	0	111.8	N148 H149 I155 H156 I183 Y187 L287	N148-T152 WeakPolarHBondContact O-CG2 3.49Å; N148-T152 PolarHBondContact O-N 3.09Å; H149-T152 PolarHBondContact O-N 3.38Å; H149-T152 PolarHBondContact O-OG1 2.94Å; T152-I155 WeakPolarHBondContact O-CB 3.45Å; T152-I155 PolarHBondContact O-N 3.45Å; T152-H156 PolarHBondContact O-N 3.43Å; T152-I183 HydrophobicContact CG2-CD1 3.67Å; T152-I183 HydrophobicContact CG2-CG1 4.32Å; T152-Y187 WeakPolarHBondContact CA-OH 3.1Å; T152-Y187 VanDerWaalsContact CB-OH 3.24Å; T152-Y187 WeakPolarHBondContact CB-OH 3.44Å; T152-Y187 HydrophobicContact CG2-CE1 4.14Å; T152-Y187 WeakPolarHBondContact CG2-OH 3.33Å; T152-Y187 PolarHBondContact O-OH 3.13Å; T152-L287 HydrophobicContact CG2-CD1 4.43Å; T152-L287 HydrophobicContact CG2-CD2 4.17Å
153	L	97.6	Very high	97.8	Very high	8 Å²	8	10.6 Å²	10.6	4%	0.042	6%	0.055	C	C	.	.	H	α-helix	trans	-72.9	-30.2	175.3	-60.6	176.9	0	0	0	112.9	H149 S150 L151 H156 D157 T320 V323	H149-L153 WeakPolarHBondContact O-CG 3.3Å; H149-L153 PolarHBondContact O-N 3.48Å; S150-L153 PolarHBondContact O-N 2.84Å; L151-L153 VanDerWaalsContact C-N 3.29Å; L151-L153 PolarHBondContact O-N 3.33Å; L153-H156 VanDerWaalsContact O-CB 3.3Å; L153-H156 WeakPolarHBondContact O-CB 3.33Å; L153-H156 PolarHBondContact O-N 2.55Å; L153-D157 PolarHBondContact O-N 3.35Å; L153-D157 VanDerWaalsContact O-N 3.11Å; L153-T320 HydrophobicContact CD1-CG2 3.42Å; L153-T320 VanDerWaalsContact CD1-CG2 3.42Å; L153-V323 HydrophobicContact CD1-CG1 3.85Å; L153-V323 HydrophobicContact CD2-CB 4.38Å; L153-V323 HydrophobicContact CD2-CG1 4.14Å; L153-V323 HydrophobicContact CD2-CG2 4.16Å
154	A	98.3	Very high	97.8	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-64.9	-43	168	0	0	0	0	0	111.6	V114 S150 L151 H156 D157 I158 F321	V114-A154 HydrophobicContact CG2-CB 3.51Å; S150-A154 PolarHBondContact O-N 3.48Å; L151-A154 WeakPolarHBondContact O-CB 3.4Å; L151-A154 PolarHBondContact O-N 2.92Å; A154-H156 PolarHBondContact O-N 3.2Å; A154-D157 PolarHBondContact O-N 2.95Å; A154-I158 HydrophobicContact CB-CD1 4.47Å; A154-I158 WeakPolarHBondContact O-CB 3.44Å; A154-I158 WeakPolarHBondContact O-CD1 3.38Å; A154-I158 WeakPolarHBondContact O-CG1 3.02Å; A154-I158 PolarHBondContact O-N 3.02Å; A154-F321 HydrophobicContact CB-CD2 4.15Å; A154-F321 HydrophobicContact CB-CE2 3.76Å; A154-F321 HydrophobicContact CB-CZ 4.1Å
155	I	98.6	Very high	97.7	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-61.5	-36.5	175.3	-71.2	161.9	0	0	0	111	L151 T152 S159 A179 N180 Y187 F191	L151-I155 WeakPolarHBondContact O-CG1 3.37Å; L151-I155 PolarHBondContact O-N 3.24Å; T152-I155 WeakPolarHBondContact O-CB 3.45Å; T152-I155 PolarHBondContact O-N 3.45Å; I155-S159 WeakPolarHBondContact O-CB 3.36Å; I155-S159 PolarHBondContact O-N 3.01Å; I155-S159 PolarHBondContact O-OG 2.97Å; I155-A179 HydrophobicContact CD1-CB 4.18Å; I155-A179 HydrophobicContact CG1-CB 3.72Å; I155-N180 HydrophobicContact CD1-CB 4Å; I155-Y187 WeakPolarHBondContact CB-OH 3.42Å; I155-Y187 HydrophobicContact CD1-CE1 3.59Å; I155-Y187 VanDerWaalsContact CD1-OH 3.29Å; I155-Y187 WeakPolarHBondContact CD1-OH 3.49Å; I155-F191 HydrophobicContact CG2-CD1 4.07Å
156	H	98.1	Very high	97.6	Very high	16 Å²	16	14 Å²	14	7%	0.074	8%	0.078	C	C	.	.	H	α-helix	trans	-54.4	-55.8	169.4	163.8	-83.9	0	0	0	111.8	T152 L153 A154 I158 S159 H160 F191 H195 H329	T152-H156 PolarHBondContact O-N 3.43Å; L153-H156 VanDerWaalsContact O-CB 3.3Å; L153-H156 WeakPolarHBondContact O-CB 3.33Å; L153-H156 PolarHBondContact O-N 2.55Å; A154-H156 PolarHBondContact O-N 3.2Å; H156-I158 PolarHBondContact O-N 2.96Å; H156-S159 VanDerWaalsContact O-CB 3.25Å; H156-S159 WeakPolarHBondContact O-CB 3.28Å; H156-S159 PolarHBondContact O-N 2.82Å; H156-S159 VanDerWaalsContact O-N 3.09Å; H156-H160 PolarHBondContact O-CD2 3.5Å; H156-H160 VanDerWaalsContact O-CD2 3.23Å; H156-F191 HydrophobicContact CB-CE1 3.98Å; H156-F191 HydrophobicContact CB-CZ 3.93Å; H156-H195 AromaticContact CD2-CD2 3.84Å; H156-H195 AromaticContact CD2-CE1 3.11Å; H156-H195 PolarHBondContact CD2-CE1 3.39Å; H156-H195 AromaticContact CD2-ND1 3.94Å; H156-H195 AromaticContact CD2-NE2 3.01Å; H156-H195 PolarHBondContact CD2-NE2 2.8Å; H156-H195 AromaticContact NE2-CE1 3.2Å; H156-H195 PolarHBondContact NE2-CE1 3.39Å; H156-H195 AromaticContact NE2-NE2 3.07Å; H156-H195 PolarHBondContact NE2-NE2 3.02Å; H156-H329 AromaticContact CE1-CD2 3.58Å; H156-H329 AromaticContact CE1-CE1 3.46Å; H156-H329 PolarHBondContact CE1-CE1 3.26Å; H156-H329 VanDerWaalsContact CE1-CE1 3.46Å; H156-H329 AromaticContact CE1-NE2 3.08Å; H156-H329 PolarHBondContact CE1-NE2 2.77Å; H156-H329 AromaticContact NE2-CD2 3.65Å; H156-H329 AromaticContact NE2-CE1 3.83Å; H156-H329 AromaticContact NE2-NE2 3.06Å; H156-H329 PolarHBondContact NE2-NE2 2.94Å
157	D	97.3	Very high	97.5	Very high	5 Å²	5	22.8 Å²	22.8	3%	0.027	11%	0.113	C	C	.	.	H	α-helix	trans	-64.7	-42.5	-179.3	-150.6	22.8	0	0	0	111.7	L110 L153 A154 S159 H160 V162 G337	L110-D157 HydrophobicContact CD2-CB 4.43Å; L153-D157 PolarHBondContact O-N 3.35Å; L153-D157 VanDerWaalsContact O-N 3.11Å; A154-D157 PolarHBondContact O-N 2.95Å; D157-S159 PolarHBondContact O-N 3.25Å; D157-S159 VanDerWaalsContact O-N 3.17Å; D157-H160 WeakPolarHBondContact O-CB 3.43Å; D157-H160 PolarHBondContact O-N 2.88Å; D157-V162 HydrophobicContact CB-CG2 4.15Å; D157-V162 VanDerWaalsContact CG-CG2 3.45Å; D157-V162 VanDerWaalsContact O-CG2 3.29Å; D157-V162 WeakPolarHBondContact O-CG2 3.22Å; D157-V162 WeakPolarHBondContact OD2-CG2 3.4Å; D157-G337 PolarHBondContact OD2-N 2.89Å; D157-G337 VanDerWaalsContact OD2-N 3.11Å
158	I	98.4	Very high	97.3	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-59.1	-30.6	175.6	-64	160	0	0	0	111.6	L110 V114 A154 H156 H160 N161 A163 N172 F175 A176 A179	L110-I158 HydrophobicContact CD2-CG1 4.1Å; V114-I158 HydrophobicContact CG1-CD1 4.46Å; A154-I158 HydrophobicContact CB-CD1 4.47Å; A154-I158 WeakPolarHBondContact O-CB 3.44Å; A154-I158 WeakPolarHBondContact O-CD1 3.38Å; A154-I158 WeakPolarHBondContact O-CG1 3.02Å; A154-I158 PolarHBondContact O-N 3.02Å; H156-I158 PolarHBondContact O-N 2.96Å; I158-H160 PolarHBondContact O-N 3.04Å; I158-N161 WeakPolarHBondContact O-CA 3.15Å; I158-N161 PolarHBondContact O-N 2.99Å; I158-A163 HydrophobicContact CG1-CB 4.15Å; I158-N172 HydrophobicContact CG2-CB 4.05Å; I158-N172 WeakPolarHBondContact CG2-O 3.47Å; I158-F175 HydrophobicContact CD1-CD1 3.6Å; I158-F175 HydrophobicContact CD1-CE1 3.73Å; I158-F175 HydrophobicContact CG1-CD1 4.1Å; I158-F175 HydrophobicContact CG1-CE1 4.38Å; I158-A176 HydrophobicContact CG2-CB 3.83Å; I158-A179 HydrophobicContact CD1-CB 4.12Å
159	S	97.8	Very high	97.2	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.014	14%	0.139	C	C	.	.	H	α-helix	trans	-62.8	-25.3	178	-66.9	0	0	0	0	112.4	I155 H156 D157 N161 K192	I155-S159 WeakPolarHBondContact O-CB 3.36Å; I155-S159 PolarHBondContact O-N 3.01Å; I155-S159 PolarHBondContact O-OG 2.97Å; H156-S159 VanDerWaalsContact O-CB 3.25Å; H156-S159 WeakPolarHBondContact O-CB 3.28Å; H156-S159 PolarHBondContact O-N 2.82Å; H156-S159 VanDerWaalsContact O-N 3.09Å; D157-S159 PolarHBondContact O-N 3.25Å; D157-S159 VanDerWaalsContact O-N 3.17Å; S159-N161 PolarHBondContact O-N 3.2Å; S159-K192 VanDerWaalsContact O-CE 3.28Å; S159-K192 WeakPolarHBondContact O-CE 3.43Å; S159-K192 PolarHBondContact O-NZ 3.36Å
160	H	97.7	Very high	97.2	Very high	17 Å²	17	33.4 Å²	33.4	8%	0.079	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	9	172.1	-59.5	-71.6	0	0	0	114.6	H156 D157 I158 V162 H195 H199 H329 P333	H156-H160 PolarHBondContact O-CD2 3.5Å; H156-H160 VanDerWaalsContact O-CD2 3.23Å; D157-H160 WeakPolarHBondContact O-CB 3.43Å; D157-H160 PolarHBondContact O-N 2.88Å; I158-H160 PolarHBondContact O-N 3.04Å; H160-V162 VanDerWaalsContact C-N 3.28Å; H160-V162 HydrophobicContact CB-CG1 4.06Å; H160-V162 PolarHBondContact O-N 2.8Å; H160-H195 AromaticContact CE1-CD2 3.76Å; H160-H195 AromaticContact CE1-NE2 3.5Å; H160-H195 AromaticContact NE2-CD2 3.35Å; H160-H195 PolarHBondContact NE2-CD2 3.47Å; H160-H195 AromaticContact NE2-NE2 2.9Å; H160-H195 PolarHBondContact NE2-NE2 2.71Å; H160-H199 AromaticContact CE1-CD2 3.4Å; H160-H199 PolarHBondContact CE1-CD2 3.27Å; H160-H199 AromaticContact CE1-NE2 3.38Å; H160-H199 PolarHBondContact CE1-NE2 3.22Å; H160-H199 AromaticContact NE2-CD2 3.9Å; H160-H199 AromaticContact NE2-NE2 3.48Å; H160-H199 PolarHBondContact NE2-NE2 2.94Å; H160-H329 AromaticContact CD2-CE1 3.49Å; H160-H329 PolarHBondContact CD2-CE1 2.94Å; H160-H329 VanDerWaalsContact CD2-CE1 3.49Å; H160-H329 AromaticContact CE1-CE1 3.87Å; H160-H329 AromaticContact NE2-CE1 3.24Å; H160-H329 PolarHBondContact NE2-CE1 3.25Å; H160-H329 AromaticContact NE2-NE2 3.4Å; H160-H329 PolarHBondContact NE2-NE2 2.7Å; H160-P333 WeakPolarHBondContact CB-O 3.45Å
161	N	97.6	Very high	97.2	Very high	24 Å²	24	40.6 Å²	40.6	13%	0.128	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	25.5	-179.2	-49.9	-53.9	0	0	0	114.4	I158 S159 G165 N166 N172 K192	I158-N161 WeakPolarHBondContact O-CA 3.15Å; I158-N161 PolarHBondContact O-N 2.99Å; S159-N161 PolarHBondContact O-N 3.2Å; N161-G165 CarbonylContact O-C 3.57Å; N161-G165 WeakPolarHBondContact O-CA 3.23Å; N161-G165 PolarHBondContact O-N 3.39Å; N161-N166 PolarHBondContact ND2-OD1 3.15Å; N161-N172 VanDerWaalsContact CA-CG 3.44Å; N161-N172 WeakPolarHBondContact CA-OD1 3.31Å; N161-N172 HydrophobicContact CB-CB 4.45Å; N161-N172 PolarHBondContact O-OD1 3.33Å; N161-K192 PolarHBondContact OD1-NZ 3.27Å
162	V	97.1	Very high	97.2	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.012	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-8.6	-176.3	-53.6	0	0	0	0	113.8	P106 D107 L110 D157 H160 P336	P106-V162 CarbonylContact C-O 3.57Å; P106-V162 WeakPolarHBondContact CA-O 3.13Å; D107-V162 PolarHBondContact N-O 2.99Å; L110-V162 HydrophobicContact CD2-CG2 3.77Å; D157-V162 HydrophobicContact CB-CG2 4.15Å; D157-V162 VanDerWaalsContact CG-CG2 3.45Å; D157-V162 VanDerWaalsContact O-CG2 3.29Å; D157-V162 WeakPolarHBondContact O-CG2 3.22Å; D157-V162 WeakPolarHBondContact OD2-CG2 3.4Å; H160-V162 VanDerWaalsContact C-N 3.28Å; H160-V162 HydrophobicContact CB-CG1 4.06Å; H160-V162 PolarHBondContact O-N 2.8Å; V162-P336 HydrophobicContact CB-CB 3.97Å; V162-P336 HydrophobicContact CG1-CB 4.41Å; V162-P336 HydrophobicContact CG2-CB 3.98Å
163	A	97.6	Very high	97.2	Very high	2 Å²	2	45.2 Å²	45.2	2%	0.017	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-39.1	175.6	0	0	0	0	0	112.8	L110 I158 N172 F175	L110-A163 HydrophobicContact CD2-CB 4.08Å; I158-A163 HydrophobicContact CG1-CB 4.15Å; A163-N172 WeakPolarHBondContact CB-OD1 3.28Å; A163-N172 PolarHBondContact N-OD1 3.11Å; A163-N172 VanDerWaalsContact N-OD1 3.1Å; A163-F175 HydrophobicContact CB-CD1 4.06Å; A163-F175 HydrophobicContact CB-CE1 4.45Å
164	F	97.8	Very high	97.2	Very high	55 Å²	55	49.4 Å²	49.4	24%	0.241	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.3	-2.3	-178.7	-57	-89.1	0	0	0	114.2	K111 L168 W171 N172 F175	K111-F164 HydrophobicContact CB-CZ 4.2Å; K111-F164 HydrophobicContact CD-CE1 3.91Å; K111-F164 HydrophobicContact CD-CZ 4.17Å; F164-L168 HydrophobicContact CB-CB 3.85Å; F164-L168 HydrophobicContact CB-CD1 4.29Å; F164-W171 HydrophobicContact CB-CB 4.22Å; F164-W171 HydrophobicContact CD1-CB 4.4Å; F164-W171 HydrophobicContact CD2-CB 4.04Å; F164-W171 HydrophobicContact CG-CB 3.95Å; F164-N172 PolarHBondContact N-OD1 2.97Å; F164-F175 HydrophobicContact CD2-CB 4.4Å; F164-F175 HydrophobicContact CE2-CB 3.48Å; F164-F175 VanDerWaalsContact CE2-CB 3.48Å; F164-F175 AromaticContact CE2-CD1 3.89Å; F164-F175 HydrophobicContact CE2-CD1 3.89Å; F164-F175 HydrophobicContact CE2-CD2 4.22Å; F164-F175 AromaticContact CE2-CG 3.59Å; F164-F175 HydrophobicContact CE2-CG 3.59Å; F164-F175 HydrophobicContact CZ-CB 4.22Å; F164-F175 HydrophobicContact CZ-CD2 4.25Å; F164-F175 HydrophobicContact CZ-CG 4.08Å
165	G	96.3	Very high	97.2	Very high	12 Å²	12	50.4 Å²	50.4	12%	0.124	23%	0.228	C	C	.	.			trans	82.5	164.7	-177	0	0	0	0	0	113.8	N161 K167 L168 N172	N161-G165 CarbonylContact O-C 3.57Å; N161-G165 WeakPolarHBondContact O-CA 3.23Å; N161-G165 PolarHBondContact O-N 3.39Å; G165-K167 VanDerWaalsContact C-N 3.31Å; G165-K167 PolarHBondContact O-N 3.26Å; G165-L168 CarbonylContact O-C 3.47Å; G165-L168 PolarHBondContact O-N 3.08Å; G165-L168 VanDerWaalsContact O-N 3.08Å; G165-N172 PolarHBondContact O-ND2 3.33Å; G165-N172 VanDerWaalsContact O-ND2 3.17Å
166	N	94.1	Very high	97.2	Very high	86 Å²	86	50.7 Å²	50.7	46%	0.46	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-63.8	-30	-175.9	-72.4	-56.4	0	0	0	114.2	N161 L168 A169	N161-N166 PolarHBondContact ND2-OD1 3.15Å; N166-L168 PolarHBondContact O-N 2.75Å; N166-A169 PolarHBondContact O-N 3.47Å
167	K	95.2	Very high	97.2	Very high	211 Å²	211	50.1 Å²	50.1	92%	0.917	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-63.8	-24.9	175.9	-65.8	-177	-178.6	177.6	0	112.4	G165	G165-K167 VanDerWaalsContact C-N 3.31Å; G165-K167 PolarHBondContact O-N 3.26Å
168	L	96	Very high	97.3	Very high	79 Å²	79	53.9 Å²	53.9	41%	0.414	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-116.9	39.4	-178	-61.7	-179.3	0	0	0	110.8	F164 G165 N166 K170 W171 N172	F164-L168 HydrophobicContact CB-CB 3.85Å; F164-L168 HydrophobicContact CB-CD1 4.29Å; G165-L168 CarbonylContact O-C 3.47Å; G165-L168 PolarHBondContact O-N 3.08Å; G165-L168 VanDerWaalsContact O-N 3.08Å; N166-L168 PolarHBondContact O-N 2.75Å; L168-K170 PolarHBondContact O-N 3.44Å; L168-K170 VanDerWaalsContact O-N 3.12Å; L168-W171 HydrophobicContact CB-CB 4.22Å; L168-W171 HydrophobicContact CB-CG 4.31Å; L168-W171 WeakPolarHBondContact O-CB 3.21Å; L168-W171 PolarHBondContact O-N 3.39Å; L168-N172 PolarHBondContact O-N 3.45Å; L168-N172 PolarHBondContact O-ND2 2.86Å; L168-N172 VanDerWaalsContact O-ND2 3.08Å
169	A	95.4	Very high	97.3	Very high	27 Å²	27	53.9 Å²	53.9	22%	0.223	24%	0.242	C	C	.	.	H	α-helix	trans	-54.3	-34.5	-178.1	0	0	0	0	0	113.6	N166 W171 N172 R173	N166-A169 PolarHBondContact O-N 3.47Å; A169-W171 PolarHBondContact O-N 2.95Å; A169-N172 PolarHBondContact O-N 2.95Å; A169-R173 WeakPolarHBondContact O-CG 3.36Å; A169-R173 PolarHBondContact O-N 3.24Å; A169-R173 VanDerWaalsContact O-N 3.15Å
170	K	96.3	Very high	97.4	Very high	133 Å²	133	53.8 Å²	53.8	58%	0.578	24%	0.241	S	C	*	.	H	α-helix	trans	-65.1	-36.3	175.9	-172.4	174.8	177.4	-179.4	0	112.5	L168 R173 W174 M252	L168-K170 PolarHBondContact O-N 3.44Å; L168-K170 VanDerWaalsContact O-N 3.12Å; K170-R173 PolarHBondContact O-N 3.38Å; K170-W174 VanDerWaalsContact O-CD1 3.22Å; K170-W174 PolarHBondContact O-N 3.29Å; K170-W174 VanDerWaalsContact O-N 3.1Å; K170-M252 HydrophobicContact CG-CE 4.39Å
171	W	97.5	Very high	97.4	Very high	160 Å²	160	53.9 Å²	53.9	61%	0.606	24%	0.242	S	C	*	.	H	α-helix	trans	-67.5	-38	175.8	-68.7	94.9	0	0	0	111.9	F164 L168 A169 R173 W174 F175	F164-W171 HydrophobicContact CB-CB 4.22Å; F164-W171 HydrophobicContact CD1-CB 4.4Å; F164-W171 HydrophobicContact CD2-CB 4.04Å; F164-W171 HydrophobicContact CG-CB 3.95Å; L168-W171 HydrophobicContact CB-CB 4.22Å; L168-W171 HydrophobicContact CB-CG 4.31Å; L168-W171 WeakPolarHBondContact O-CB 3.21Å; L168-W171 PolarHBondContact O-N 3.39Å; A169-W171 PolarHBondContact O-N 2.95Å; W171-R173 VanDerWaalsContact C-N 3.3Å; W171-R173 PolarHBondContact O-N 2.89Å; W171-W174 PolarHBondContact O-N 3.37Å; W171-F175 VanDerWaalsContact O-CB 3.25Å; W171-F175 WeakPolarHBondContact O-CB 3.46Å; W171-F175 PolarHBondContact O-N 2.92Å
172	N	98.2	Very high	97.4	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-60.5	-40	171.4	-68.2	-85.1	0	0	0	111.6	I158 N161 A163 F164 G165 L168 A169 F175 A176	I158-N172 HydrophobicContact CG2-CB 4.05Å; I158-N172 WeakPolarHBondContact CG2-O 3.47Å; N161-N172 VanDerWaalsContact CA-CG 3.44Å; N161-N172 WeakPolarHBondContact CA-OD1 3.31Å; N161-N172 HydrophobicContact CB-CB 4.45Å; N161-N172 PolarHBondContact O-OD1 3.33Å; A163-N172 WeakPolarHBondContact CB-OD1 3.28Å; A163-N172 PolarHBondContact N-OD1 3.11Å; A163-N172 VanDerWaalsContact N-OD1 3.1Å; F164-N172 PolarHBondContact N-OD1 2.97Å; G165-N172 PolarHBondContact O-ND2 3.33Å; G165-N172 VanDerWaalsContact O-ND2 3.17Å; L168-N172 PolarHBondContact O-N 3.45Å; L168-N172 PolarHBondContact O-ND2 2.86Å; L168-N172 VanDerWaalsContact O-ND2 3.08Å; A169-N172 PolarHBondContact O-N 2.95Å; N172-F175 PolarHBondContact O-N 2.82Å; N172-A176 WeakPolarHBondContact O-CB 3.47Å; N172-A176 PolarHBondContact O-N 3.26Å
173	R	97.6	Very high	97.5	Very high	109 Å²	109	53.1 Å²	53.1	41%	0.411	24%	0.238	S	C	.	.	H	α-helix	trans	-64.2	-46.1	177.5	-65.2	175.8	-171.1	-166.5	-0	112.3	A169 K170 W171 F175 A176 M177 M252	A169-R173 WeakPolarHBondContact O-CG 3.36Å; A169-R173 PolarHBondContact O-N 3.24Å; A169-R173 VanDerWaalsContact O-N 3.15Å; K170-R173 PolarHBondContact O-N 3.38Å; W171-R173 VanDerWaalsContact C-N 3.3Å; W171-R173 PolarHBondContact O-N 2.89Å; R173-F175 VanDerWaalsContact C-N 3.34Å; R173-A176 PolarHBondContact O-N 3.06Å; R173-M177 WeakPolarHBondContact O-CG 3.33Å; R173-M177 PolarHBondContact O-N 3.4Å; R173-M252 HydrophobicContact CB-CE 4.32Å; R173-M252 HydrophobicContact CB-SD 3.93Å; R173-M252 HydrophobicContact CG-SD 4.39Å
174	W	98.4	Very high	97.4	Very high	96 Å²	96	53.1 Å²	53.1	36%	0.364	24%	0.238	S	C	.	.	H	α-helix	trans	-64.8	-39.6	176.1	-72.4	122.5	0	0	0	112.5	K170 W171 A176 M177 W178 Q255	K170-W174 VanDerWaalsContact O-CD1 3.22Å; K170-W174 PolarHBondContact O-N 3.29Å; K170-W174 VanDerWaalsContact O-N 3.1Å; W171-W174 PolarHBondContact O-N 3.37Å; W174-A176 VanDerWaalsContact C-N 3.33Å; W174-M177 HydrophobicContact CE3-CE 4.36Å; W174-M177 HydrophobicContact CE3-SD 3.59Å; W174-M177 VanDerWaalsContact CE3-SD 3.59Å; W174-M177 HydrophobicContact CZ3-CE 4.36Å; W174-M177 HydrophobicContact CZ3-SD 3.65Å; W174-M177 WeakPolarHBondContact O-CB 3.27Å; W174-M177 PolarHBondContact O-N 3.31Å; W174-W178 PolarHBondContact O-N 3.34Å; W174-Q255 HydrophobicContact CH2-CB 4.09Å; W174-Q255 HydrophobicContact CH2-CG 3.96Å; W174-Q255 HydrophobicContact CZ3-CB 4.22Å
175	F	98.7	Very high	97.4	Very high	20 Å²	20	55 Å²	55	9%	0.088	25%	0.251	C	S	.	.	H	α-helix	trans	-68.8	-32.6	177.3	-169.6	-112.2	0	0	0	112.8	K111 V114 S115 I158 A163 F164 W171 N172 R173 M177 W178 A179	K111-F175 VanDerWaalsContact CA-CZ 3.43Å; K111-F175 HydrophobicContact CB-CE1 4.09Å; K111-F175 HydrophobicContact CB-CE2 4.27Å; K111-F175 HydrophobicContact CB-CZ 3.85Å; K111-F175 WeakPolarHBondContact O-CZ 3.19Å; V114-F175 HydrophobicContact CB-CE1 3.92Å; V114-F175 HydrophobicContact CB-CZ 3.73Å; V114-F175 HydrophobicContact CG1-CE1 3.75Å; V114-F175 HydrophobicContact CG1-CZ 3.61Å; V114-F175 HydrophobicContact CG2-CE1 4.47Å; S115-F175 WeakPolarHBondContact OG-CE2 3.39Å; I158-F175 HydrophobicContact CD1-CD1 3.6Å; I158-F175 HydrophobicContact CD1-CE1 3.73Å; I158-F175 HydrophobicContact CG1-CD1 4.1Å; I158-F175 HydrophobicContact CG1-CE1 4.38Å; A163-F175 HydrophobicContact CB-CD1 4.06Å; A163-F175 HydrophobicContact CB-CE1 4.45Å; F164-F175 HydrophobicContact CD2-CB 4.4Å; F164-F175 HydrophobicContact CE2-CB 3.48Å; F164-F175 VanDerWaalsContact CE2-CB 3.48Å; F164-F175 AromaticContact CE2-CD1 3.89Å; F164-F175 HydrophobicContact CE2-CD1 3.89Å; F164-F175 HydrophobicContact CE2-CD2 4.22Å; F164-F175 AromaticContact CE2-CG 3.59Å; F164-F175 HydrophobicContact CE2-CG 3.59Å; F164-F175 HydrophobicContact CZ-CB 4.22Å; F164-F175 HydrophobicContact CZ-CD2 4.25Å; F164-F175 HydrophobicContact CZ-CG 4.08Å; W171-F175 VanDerWaalsContact O-CB 3.25Å; W171-F175 WeakPolarHBondContact O-CB 3.46Å; W171-F175 PolarHBondContact O-N 2.92Å; N172-F175 PolarHBondContact O-N 2.82Å; R173-F175 VanDerWaalsContact C-N 3.34Å; F175-M177 VanDerWaalsContact C-N 3.32Å; F175-M177 PolarHBondContact O-N 2.86Å; F175-W178 HydrophobicContact CD2-CB 4.42Å; F175-W178 HydrophobicContact CD2-CG 4.5Å; F175-W178 AromaticContact CE2-CD1 3.58Å; F175-W178 HydrophobicContact CE2-CG 4.45Å; F175-W178 WeakPolarHBondContact O-CB 3.26Å; F175-W178 PolarHBondContact O-N 3.01Å; F175-A179 PolarHBondContact O-N 2.72Å
176	A	98.6	Very high	97.4	Very high	7 Å²	7	56.5 Å²	56.5	6%	0.058	26%	0.258	C	S	.	.	H	α-helix	trans	-62.1	-39.8	170.5	0	0	0	0	0	111.5	I158 N172 R173 W174 W178 A179 N180	I158-A176 HydrophobicContact CG2-CB 3.83Å; N172-A176 WeakPolarHBondContact O-CB 3.47Å; N172-A176 PolarHBondContact O-N 3.26Å; R173-A176 PolarHBondContact O-N 3.06Å; W174-A176 VanDerWaalsContact C-N 3.33Å; A176-W178 VanDerWaalsContact C-N 3.32Å; A176-W178 PolarHBondContact O-N 3.44Å; A176-A179 PolarHBondContact O-N 3.24Å; A176-N180 VanDerWaalsContact O-CB 3.3Å; A176-N180 WeakPolarHBondContact O-CB 3.3Å; A176-N180 PolarHBondContact O-N 3.17Å
177	M	98.8	Very high	97.4	Very high	4 Å²	4	55 Å²	55	2%	0.02	25%	0.246	C	C	.	.	H	α-helix	trans	-65.4	-35.3	174	-61.9	177.5	-165.5	0	0	112.2	R173 W174 F175 N180 L181 M252 Q255 N256	R173-M177 WeakPolarHBondContact O-CG 3.33Å; R173-M177 PolarHBondContact O-N 3.4Å; W174-M177 HydrophobicContact CE3-CE 4.36Å; W174-M177 HydrophobicContact CE3-SD 3.59Å; W174-M177 VanDerWaalsContact CE3-SD 3.59Å; W174-M177 HydrophobicContact CZ3-CE 4.36Å; W174-M177 HydrophobicContact CZ3-SD 3.65Å; W174-M177 WeakPolarHBondContact O-CB 3.27Å; W174-M177 PolarHBondContact O-N 3.31Å; F175-M177 VanDerWaalsContact C-N 3.32Å; F175-M177 PolarHBondContact O-N 2.86Å; M177-N180 WeakPolarHBondContact O-CB 3.39Å; M177-N180 PolarHBondContact O-N 3.14Å; M177-L181 PolarHBondContact O-N 3.25Å; M177-M252 HydrophobicContact CE-CB 4.43Å; M177-M252 WeakPolarHBondContact CE-O 3.45Å; M177-M252 HydrophobicContact CE-SD 3.74Å; M177-Q255 HydrophobicContact CE-CB 3.91Å; M177-Q255 HydrophobicContact SD-CB 4.23Å; M177-N256 HydrophobicContact CE-CB 4.07Å; M177-N256 HydrophobicContact CG-CB 3.99Å; M177-N256 HydrophobicContact SD-CB 4.1Å
178	W	98.8	Very high	97.5	Very high	84 Å²	84	45.1 Å²	45.1	32%	0.318	20%	0.204	S	C	.	.	H	α-helix	trans	-63.7	-47.7	172	170.3	-102.1	0	0	0	111.9	V118 L119 W174 F175 A176 N180 L181	V118-W178 HydrophobicContact CB-CZ2 4.02Å; V118-W178 HydrophobicContact CG1-CD2 4.21Å; V118-W178 HydrophobicContact CG1-CH2 3.98Å; V118-W178 HydrophobicContact CG1-CZ2 3.5Å; L119-W178 HydrophobicContact CD2-CH2 4.36Å; L119-W178 HydrophobicContact CD2-CZ2 4.24Å; W174-W178 PolarHBondContact O-N 3.34Å; F175-W178 HydrophobicContact CD2-CB 4.42Å; F175-W178 HydrophobicContact CD2-CG 4.5Å; F175-W178 AromaticContact CE2-CD1 3.58Å; F175-W178 HydrophobicContact CE2-CG 4.45Å; F175-W178 WeakPolarHBondContact O-CB 3.26Å; F175-W178 PolarHBondContact O-N 3.01Å; A176-W178 VanDerWaalsContact C-N 3.32Å; A176-W178 PolarHBondContact O-N 3.44Å; W178-N180 PolarHBondContact O-N 3.41Å; W178-L181 HydrophobicContact CD2-CD1 4.43Å; W178-L181 HydrophobicContact CE3-CD1 3.58Å; W178-L181 HydrophobicContact CZ3-CD1 3.78Å; W178-L181 WeakPolarHBondContact O-CG 3.15Å; W178-L181 PolarHBondContact O-N 3.06Å
179	A	98.8	Very high	97.6	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.4	-25.8	174.4	0	0	0	0	0	112.7	V114 L151 I155 I158 F175 A176 P182	V114-A179 HydrophobicContact CG1-CB 3.58Å; L151-A179 HydrophobicContact CD2-CB 4.45Å; I155-A179 HydrophobicContact CD1-CB 4.18Å; I155-A179 HydrophobicContact CG1-CB 3.72Å; I158-A179 HydrophobicContact CD1-CB 4.12Å; F175-A179 PolarHBondContact O-N 2.72Å; A176-A179 PolarHBondContact O-N 3.24Å; A179-P182 WeakPolarHBondContact O-CD 3.33Å
180	N	98.7	Very high	97.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-75.2	-23.6	179.8	-166.5	113.7	0	0	0	113.2	I155 A176 M177 W178 I183 L185 Y187 S188 Q260	I155-N180 HydrophobicContact CD1-CB 4Å; A176-N180 VanDerWaalsContact O-CB 3.3Å; A176-N180 WeakPolarHBondContact O-CB 3.3Å; A176-N180 PolarHBondContact O-N 3.17Å; M177-N180 WeakPolarHBondContact O-CB 3.39Å; M177-N180 PolarHBondContact O-N 3.14Å; W178-N180 PolarHBondContact O-N 3.41Å; N180-I183 VanDerWaalsContact O-CB 3.24Å; N180-I183 WeakPolarHBondContact O-CB 3.28Å; N180-I183 WeakPolarHBondContact O-CG1 3.37Å; N180-I183 PolarHBondContact O-N 3.48Å; N180-L185 PolarHBondContact ND2-O 3.26Å; N180-Y187 WeakPolarHBondContact OD1-CD1 3.35Å; N180-Y187 WeakPolarHBondContact OD1-CE1 3.24Å; N180-Y187 PolarHBondContact OD1-N 3.04Å; N180-Y187 VanDerWaalsContact OD1-N 3.12Å; N180-S188 VanDerWaalsContact OD1-CB 3.28Å; N180-S188 WeakPolarHBondContact OD1-CB 3.16Å; N180-S188 PolarHBondContact OD1-N 3.22Å; N180-Q260 PolarHBondContact ND2-OE1 3.26Å; N180-Q260 PolarHBondContact O-OE1 3.35Å
181	L	98.6	Very high	97.7	Very high	20 Å²	20	39 Å²	39	11%	0.105	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-52.6	-46.1	-171.2	-59.7	-177.3	0	0	0	113.3	M177 W178 I183 G184 V259 Q260 A263	M177-L181 PolarHBondContact O-N 3.25Å; W178-L181 HydrophobicContact CD2-CD1 4.43Å; W178-L181 HydrophobicContact CE3-CD1 3.58Å; W178-L181 HydrophobicContact CZ3-CD1 3.78Å; W178-L181 WeakPolarHBondContact O-CG 3.15Å; W178-L181 PolarHBondContact O-N 3.06Å; L181-I183 PolarHBondContact O-N 2.96Å; L181-I183 VanDerWaalsContact O-N 3.17Å; L181-G184 PolarHBondContact O-N 2.89Å; L181-V259 HydrophobicContact CD2-CG1 3.85Å; L181-Q260 PolarHBondContact O-NE2 3Å; L181-A263 HydrophobicContact CD1-CB 4.45Å; L181-A263 HydrophobicContact CD2-CB 3.72Å; L181-A263 HydrophobicContact CG-CB 4.5Å
182	P	98.1	Very high	97.7	Very high	2 Å²	2	33 Å²	33	1%	0.013	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-68.3	-12.2	179.4	-24	39.2	0	0	0	114.9	V118 Q121 N148 L151 A179 G184 L279	V118-P182 HydrophobicContact CB-CG 4.21Å; V118-P182 HydrophobicContact CG1-CG 3.99Å; V118-P182 HydrophobicContact CG2-CG 4.04Å; Q121-P182 HydrophobicContact CB-CB 3.74Å; Q121-P182 HydrophobicContact CB-CG 3.9Å; Q121-P182 HydrophobicContact CG-CB 3.93Å; Q121-P182 HydrophobicContact CG-CG 4.42Å; N148-P182 PolarHBondContact ND2-O 2.74Å; N148-P182 PolarHBondContact OD1-O 3.07Å; L151-P182 HydrophobicContact CD1-CB 3.76Å; L151-P182 HydrophobicContact CD1-CG 3.56Å; A179-P182 WeakPolarHBondContact O-CD 3.33Å; P182-G184 VanDerWaalsContact C-N 3.28Å; P182-G184 PolarHBondContact O-N 3.06Å; P182-L279 HydrophobicContact CB-CD2 4.3Å; P182-L279 WeakPolarHBondContact O-CB 3.34Å; P182-L279 WeakPolarHBondContact O-CD2 3.42Å
183	I	97.7	Very high	97.5	Very high	7 Å²	7	36.1 Å²	36.1	4%	0.036	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-72.1	-27.9	179.5	-53.3	-54.5	0	0	0	111.1	N148 L151 T152 N180 L181 L185 Y187 S283	N148-I183 HydrophobicContact CB-CD1 3.78Å; N148-I183 VanDerWaalsContact O-CD1 3.23Å; N148-I183 WeakPolarHBondContact O-CD1 3.33Å; L151-I183 HydrophobicContact CB-CD1 4.27Å; T152-I183 HydrophobicContact CG2-CD1 3.67Å; T152-I183 HydrophobicContact CG2-CG1 4.32Å; N180-I183 VanDerWaalsContact O-CB 3.24Å; N180-I183 WeakPolarHBondContact O-CB 3.28Å; N180-I183 WeakPolarHBondContact O-CG1 3.37Å; N180-I183 PolarHBondContact O-N 3.48Å; L181-I183 PolarHBondContact O-N 2.96Å; L181-I183 VanDerWaalsContact O-N 3.17Å; I183-L185 VanDerWaalsContact C-N 3.27Å; I183-L185 PolarHBondContact O-N 3.35Å; I183-Y187 HydrophobicContact CB-CE1 4.45Å; I183-Y187 HydrophobicContact CG1-CE1 4Å; I183-Y187 HydrophobicContact CG2-CD1 4.02Å; I183-Y187 HydrophobicContact CG2-CE1 4.14Å; I183-S283 PolarHBondContact O-OG 2.65Å
184	G	96.4	Very high	97.5	Very high	2 Å²	2	32 Å²	32	2%	0.021	15%	0.154	C	C	.	.	S	Bend	trans	78.7	4	179.8	0	0	0	0	0	114.6	L181 P182	L181-G184 PolarHBondContact O-N 2.89Å; P182-G184 VanDerWaalsContact C-N 3.28Å; P182-G184 PolarHBondContact O-N 3.06Å
185	L	96.6	Very high	97.5	Very high	96 Å²	96	28.2 Å²	28.2	50%	0.503	14%	0.14	S	C	.	.	S	Bend	trans	-143.8	137.4	179.5	-68	174.4	0	0	0	110.4	N180 I183 Y187	N180-L185 PolarHBondContact ND2-O 3.26Å; I183-L185 VanDerWaalsContact C-N 3.27Å; I183-L185 PolarHBondContact O-N 3.35Å; L185-Y187 PolarHBondContact O-N 3.39Å; L185-Y187 VanDerWaalsContact O-N 3.09Å
186	P	96.3	Very high	97.4	Very high	43 Å²	43	30.6 Å²	30.6	28%	0.279	15%	0.153	S	C	.	.			trans	-79.7	96	-174.2	31.1	-33.8	0	0	0	111.4	N256 T257 Q260	P186-N256 HydrophobicContact CB-CB 4.45Å; P186-T257 HydrophobicContact CG-CG2 4.25Å; P186-Q260 HydrophobicContact CB-CB 3.82Å; P186-Q260 HydrophobicContact CB-CG 4.27Å; P186-Q260 HydrophobicContact CG-CB 4.44Å
187	Y	94.4	Very high	97.2	Very high	54 Å²	54	31.6 Å²	31.6	21%	0.212	16%	0.157	C	C	.	.			trans	-124.1	-24.2	-174.8	95.3	-75.8	0	0	0	114.4	T152 I155 N180 I183 L185 A189 S190 F191	T152-Y187 WeakPolarHBondContact CA-OH 3.1Å; T152-Y187 VanDerWaalsContact CB-OH 3.24Å; T152-Y187 WeakPolarHBondContact CB-OH 3.44Å; T152-Y187 HydrophobicContact CG2-CE1 4.14Å; T152-Y187 WeakPolarHBondContact CG2-OH 3.33Å; T152-Y187 PolarHBondContact O-OH 3.13Å; I155-Y187 WeakPolarHBondContact CB-OH 3.42Å; I155-Y187 HydrophobicContact CD1-CE1 3.59Å; I155-Y187 VanDerWaalsContact CD1-OH 3.29Å; I155-Y187 WeakPolarHBondContact CD1-OH 3.49Å; N180-Y187 WeakPolarHBondContact OD1-CD1 3.35Å; N180-Y187 WeakPolarHBondContact OD1-CE1 3.24Å; N180-Y187 PolarHBondContact OD1-N 3.04Å; N180-Y187 VanDerWaalsContact OD1-N 3.12Å; I183-Y187 HydrophobicContact CB-CE1 4.45Å; I183-Y187 HydrophobicContact CG1-CE1 4Å; I183-Y187 HydrophobicContact CG2-CD1 4.02Å; I183-Y187 HydrophobicContact CG2-CE1 4.14Å; L185-Y187 PolarHBondContact O-N 3.39Å; L185-Y187 VanDerWaalsContact O-N 3.09Å; Y187-A189 VanDerWaalsContact C-N 3.32Å; Y187-A189 PolarHBondContact O-N 2.86Å; Y187-A189 VanDerWaalsContact O-N 3.17Å; Y187-S190 PolarHBondContact O-N 3.45Å; Y187-S190 VanDerWaalsContact O-N 3.17Å; Y187-F191 HydrophobicContact CD2-CB 3.69Å; Y187-F191 HydrophobicContact CD2-CD2 4.18Å; Y187-F191 HydrophobicContact CD2-CG 4.22Å; Y187-F191 HydrophobicContact CE2-CB 3.67Å; Y187-F191 AromaticContact CE2-CD2 3.64Å; Y187-F191 HydrophobicContact CE2-CD2 3.64Å; Y187-F191 AromaticContact CE2-CG 3.74Å; Y187-F191 HydrophobicContact CE2-CG 3.74Å; Y187-F191 WeakPolarHBondContact O-CB 3.4Å; Y187-F191 PolarHBondContact O-N 2.91Å
188	S	97.8	Very high	97.2	Very high	3 Å²	3	32 Å²	32	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-55.6	-38.1	-171.9	67.9	0	0	0	0	115.2	N180 K192 N256	N180-S188 VanDerWaalsContact OD1-CB 3.28Å; N180-S188 WeakPolarHBondContact OD1-CB 3.16Å; N180-S188 PolarHBondContact OD1-N 3.22Å; S188-K192 PolarHBondContact O-N 3.23Å; S188-N256 PolarHBondContact N-OD1 2.91Å; S188-N256 VanDerWaalsContact N-OD1 3.09Å; S188-N256 PolarHBondContact OG-OD1 3.48Å
189	A	97.5	Very high	97.1	Very high	14 Å²	14	29 Å²	29	12%	0.116	15%	0.148	C	C	.	.	H	α-helix	trans	-67.3	-49	178.9	0	0	0	0	0	111.8	Y187 K193 M252 E253 N256	Y187-A189 VanDerWaalsContact C-N 3.32Å; Y187-A189 PolarHBondContact O-N 2.86Å; Y187-A189 VanDerWaalsContact O-N 3.17Å; A189-K193 PolarHBondContact O-N 3.46Å; A189-M252 HydrophobicContact CB-CB 4.18Å; A189-E253 HydrophobicContact CB-CG 4.08Å; A189-N256 HydrophobicContact CB-CB 3.96Å; A189-N256 PolarHBondContact N-OD1 2.95Å; A189-N256 VanDerWaalsContact N-OD1 3.1Å
190	S	96.8	Very high	96.9	Very high	45 Å²	45	36 Å²	36	32%	0.315	18%	0.175	S	C	.	.	H	α-helix	trans	-65.8	-42.4	176.8	-63.2	0	0	0	0	111.3	Y187 K192 K193 Y194 E253	Y187-S190 PolarHBondContact O-N 3.45Å; Y187-S190 VanDerWaalsContact O-N 3.17Å; S190-K192 VanDerWaalsContact C-N 3.32Å; S190-K192 PolarHBondContact O-N 3.25Å; S190-K193 WeakPolarHBondContact O-CB 3.32Å; S190-K193 PolarHBondContact O-N 2.76Å; S190-Y194 VanDerWaalsContact O-CD2 3.23Å; S190-Y194 WeakPolarHBondContact O-CD2 3.45Å; S190-Y194 PolarHBondContact O-N 3.41Å; S190-Y194 VanDerWaalsContact O-N 3.15Å; S190-E253 WeakPolarHBondContact OG-CG 3.37Å
191	F	97.3	Very high	96.8	Very high	51 Å²	51	37.6 Å²	37.6	22%	0.224	18%	0.181	C	C	.	.	H	α-helix	trans	-51.2	-52.2	177	178.1	-88.3	0	0	0	110.7	I155 H156 Y187 K193 Y194 H195	I155-F191 HydrophobicContact CG2-CD1 4.07Å; H156-F191 HydrophobicContact CB-CE1 3.98Å; H156-F191 HydrophobicContact CB-CZ 3.93Å; Y187-F191 HydrophobicContact CD2-CB 3.69Å; Y187-F191 HydrophobicContact CD2-CD2 4.18Å; Y187-F191 HydrophobicContact CD2-CG 4.22Å; Y187-F191 HydrophobicContact CE2-CB 3.67Å; Y187-F191 AromaticContact CE2-CD2 3.64Å; Y187-F191 HydrophobicContact CE2-CD2 3.64Å; Y187-F191 AromaticContact CE2-CG 3.74Å; Y187-F191 HydrophobicContact CE2-CG 3.74Å; Y187-F191 WeakPolarHBondContact O-CB 3.4Å; Y187-F191 PolarHBondContact O-N 2.91Å; F191-K193 VanDerWaalsContact C-N 3.27Å; F191-K193 PolarHBondContact O-N 2.91Å; F191-Y194 PolarHBondContact O-N 2.88Å; F191-Y194 VanDerWaalsContact O-N 3.15Å; F191-H195 HydrophobicContact CD1-CB 4.06Å; F191-H195 HydrophobicContact CE1-CB 3.6Å; F191-H195 AromaticContact CE1-CD2 3.85Å; F191-H195 AromaticContact CE1-CG 3.59Å; F191-H195 HydrophobicContact CZ-CB 3.89Å; F191-H195 AromaticContact CZ-CG 3.71Å; F191-H195 AromaticContact CZ-ND1 3.91Å; F191-H195 WeakPolarHBondContact O-CB 3.46Å; F191-H195 PolarHBondContact O-N 2.97Å
192	K	96.9	Very high	96.6	Very high	35 Å²	35	36.8 Å²	36.8	15%	0.152	18%	0.177	C	C	.	.	H	α-helix	trans	-55.5	-40.5	177.7	179.5	171.6	-177.3	128.5	0	112.9	S159 N161 S188 S190 I196	S159-K192 VanDerWaalsContact O-CE 3.28Å; S159-K192 WeakPolarHBondContact O-CE 3.43Å; S159-K192 PolarHBondContact O-NZ 3.36Å; N161-K192 PolarHBondContact OD1-NZ 3.27Å; S188-K192 PolarHBondContact O-N 3.23Å; S190-K192 VanDerWaalsContact C-N 3.32Å; S190-K192 PolarHBondContact O-N 3.25Å; K192-I196 HydrophobicContact CG-CG1 4.34Å; K192-I196 WeakPolarHBondContact O-CB 3.41Å; K192-I196 WeakPolarHBondContact O-CG1 3.41Å; K192-I196 PolarHBondContact O-N 3.49Å; K192-I196 VanDerWaalsContact O-N 3.15Å
193	K	95.2	Very high	96.6	Very high	67 Å²	67	36.8 Å²	36.8	29%	0.291	18%	0.177	S	C	.	.	H	α-helix	trans	-64.9	-40.1	180	-76.6	-176.9	175.2	162.3	0	112.8	A189 S190 F191 K247 P248 E253	A189-K193 PolarHBondContact O-N 3.46Å; S190-K193 WeakPolarHBondContact O-CB 3.32Å; S190-K193 PolarHBondContact O-N 2.76Å; F191-K193 VanDerWaalsContact C-N 3.27Å; F191-K193 PolarHBondContact O-N 2.91Å; K193-K247 HydrophobicContact CB-CD 4.17Å; K193-K247 HydrophobicContact CD-CD 4.48Å; K193-K247 PolarHBondContact O-NZ 3.45Å; K193-P248 PolarHBondContact NZ-O 3.46Å; K193-E253 WeakPolarHBondContact CD-OE1 3.21Å; K193-E253 WeakPolarHBondContact CE-OE1 3.01Å; K193-E253 IonicContact NZ-OE1 2.92Å; K193-E253 PolarHBondContact NZ-OE1 3.4Å; K193-E253 IonicContact NZ-OE2 3.1Å; K193-E253 PolarHBondContact NZ-OE2 2.92Å
194	Y	97.5	Very high	96.5	Very high	23 Å²	23	36.4 Å²	36.4	9%	0.09	18%	0.175	C	C	.	.	H	α-helix	trans	-82.7	-37.3	-179.1	-69.8	-69.9	0	0	0	111.6	S190 F191 I196 D197 H198 V209 P241 N245 K247	S190-Y194 VanDerWaalsContact O-CD2 3.23Å; S190-Y194 WeakPolarHBondContact O-CD2 3.45Å; S190-Y194 PolarHBondContact O-N 3.41Å; S190-Y194 VanDerWaalsContact O-N 3.15Å; F191-Y194 PolarHBondContact O-N 2.88Å; F191-Y194 VanDerWaalsContact O-N 3.15Å; Y194-I196 PolarHBondContact O-N 2.93Å; Y194-D197 WeakPolarHBondContact O-CB 3.46Å; Y194-D197 PolarHBondContact O-N 3.47Å; Y194-D197 VanDerWaalsContact O-N 3.12Å; Y194-H198 PolarHBondContact O-N 3.16Å; Y194-V209 HydrophobicContact CD1-CB 4.46Å; Y194-V209 HydrophobicContact CD1-CG1 4.07Å; Y194-V209 HydrophobicContact CD1-CG2 3.56Å; Y194-V209 HydrophobicContact CE1-CG1 4.21Å; Y194-V209 HydrophobicContact CE1-CG2 4.37Å; Y194-V209 HydrophobicContact CG-CG2 3.89Å; Y194-P241 HydrophobicContact CD1-CB 4.04Å; Y194-P241 HydrophobicContact CD2-CB 4.03Å; Y194-P241 HydrophobicContact CE1-CB 3.75Å; Y194-P241 HydrophobicContact CE2-CB 3.75Å; Y194-P241 HydrophobicContact CG-CB 4.17Å; Y194-N245 VanDerWaalsContact CE1-O 3.31Å; Y194-N245 WeakPolarHBondContact CE1-O 3.41Å; Y194-N245 PolarHBondContact OH-O 3.24Å; Y194-K247 HydrophobicContact CD1-CD 4.09Å; Y194-K247 HydrophobicContact CE1-CB 4.43Å; Y194-K247 HydrophobicContact CE1-CD 3.67Å; Y194-K247 HydrophobicContact CE1-CG 3.71Å; Y194-K247 PolarHBondContact OH-N 3.33Å; Y194-K247 VanDerWaalsContact OH-N 3.13Å
195	H	97.5	Very high	96.5	Very high	16 Å²	16	39 Å²	39	7%	0.074	19%	0.188	C	C	.	.	H	α-helix	trans	-63.8	-38.8	178.9	-172.5	52.7	0	0	0	113.2	H156 H160 F191 D197 H198 H199	H156-H195 AromaticContact CD2-CD2 3.84Å; H156-H195 AromaticContact CD2-CE1 3.11Å; H156-H195 PolarHBondContact CD2-CE1 3.39Å; H156-H195 AromaticContact CD2-ND1 3.94Å; H156-H195 AromaticContact CD2-NE2 3.01Å; H156-H195 PolarHBondContact CD2-NE2 2.8Å; H156-H195 AromaticContact NE2-CE1 3.2Å; H156-H195 PolarHBondContact NE2-CE1 3.39Å; H156-H195 AromaticContact NE2-NE2 3.07Å; H156-H195 PolarHBondContact NE2-NE2 3.02Å; H160-H195 AromaticContact CE1-CD2 3.76Å; H160-H195 AromaticContact CE1-NE2 3.5Å; H160-H195 AromaticContact NE2-CD2 3.35Å; H160-H195 PolarHBondContact NE2-CD2 3.47Å; H160-H195 AromaticContact NE2-NE2 2.9Å; H160-H195 PolarHBondContact NE2-NE2 2.71Å; F191-H195 HydrophobicContact CD1-CB 4.06Å; F191-H195 HydrophobicContact CE1-CB 3.6Å; F191-H195 AromaticContact CE1-CD2 3.85Å; F191-H195 AromaticContact CE1-CG 3.59Å; F191-H195 HydrophobicContact CZ-CB 3.89Å; F191-H195 AromaticContact CZ-CG 3.71Å; F191-H195 AromaticContact CZ-ND1 3.91Å; F191-H195 WeakPolarHBondContact O-CB 3.46Å; F191-H195 PolarHBondContact O-N 2.97Å; H195-D197 VanDerWaalsContact C-N 3.31Å; H195-D197 PolarHBondContact O-N 2.85Å; H195-H198 WeakPolarHBondContact O-CB 3.04Å; H195-H198 PolarHBondContact O-N 3.09Å; H195-H199 AromaticContact CD2-CD2 3.94Å; H195-H199 AromaticContact CE1-CD2 3.43Å; H195-H199 PolarHBondContact CE1-CD2 3.26Å; H195-H199 VanDerWaalsContact CE1-CD2 3.43Å; H195-H199 AromaticContact CE1-NE2 3.1Å; H195-H199 PolarHBondContact CE1-NE2 3.1Å; H195-H199 AromaticContact NE2-CD2 3.34Å; H195-H199 PolarHBondContact NE2-CD2 3.04Å; H195-H199 VanDerWaalsContact NE2-CD2 3.34Å; H195-H199 AromaticContact NE2-NE2 3.03Å; H195-H199 PolarHBondContact NE2-NE2 3.2Å; H195-H199 PolarHBondContact O-CD2 2.77Å; H195-H199 PolarHBondContact O-N 2.85Å; H195-H199 VanDerWaalsContact O-N 3.12Å
196	I	96.3	Very high	96.4	Very high	70 Å²	70	40.5 Å²	40.5	36%	0.359	19%	0.193	S	C	.	.	H	α-helix	trans	-67.1	-34.4	174.1	-65.2	-63.2	0	0	0	111.7	K192 Y194 R200	K192-I196 HydrophobicContact CG-CG1 4.34Å; K192-I196 WeakPolarHBondContact O-CB 3.41Å; K192-I196 WeakPolarHBondContact O-CG1 3.41Å; K192-I196 PolarHBondContact O-N 3.49Å; K192-I196 VanDerWaalsContact O-N 3.15Å; Y194-I196 PolarHBondContact O-N 2.93Å; I196-R200 VanDerWaalsContact O-CB 3.32Å; I196-R200 WeakPolarHBondContact O-CB 3.27Å; I196-R200 PolarHBondContact O-N 3.15Å; I196-R200 VanDerWaalsContact O-N 3.1Å
197	D	96.3	Very high	96.4	Very high	28 Å²	28	39.7 Å²	39.7	15%	0.15	19%	0.186	C	C	.	.	H	α-helix	trans	-68.2	-40.6	173.8	-84.1	30	0	0	0	111.2	Y194 H195 H199 R200 Y201 K247	Y194-D197 WeakPolarHBondContact O-CB 3.46Å; Y194-D197 PolarHBondContact O-N 3.47Å; Y194-D197 VanDerWaalsContact O-N 3.12Å; H195-D197 VanDerWaalsContact C-N 3.31Å; H195-D197 PolarHBondContact O-N 2.85Å; D197-H199 PolarHBondContact O-N 2.63Å; D197-R200 CarbonylContact O-C 3.24Å; D197-R200 PolarHBondContact O-N 2.97Å; D197-Y201 HydrophobicContact CB-CD2 4.17Å; D197-Y201 PolarHBondContact O-N 3.11Å; D197-K247 IonicContact OD1-NZ 2.92Å; D197-K247 PolarHBondContact OD1-NZ 3.45Å; D197-K247 VanDerWaalsContact OD1-NZ 3.13Å; D197-K247 WeakPolarHBondContact OD2-CE 3.4Å; D197-K247 IonicContact OD2-NZ 3.62Å; D197-K247 PolarHBondContact OD2-NZ 3.33Å
198	H	97.3	Very high	96.5	Very high	13 Å²	13	37.3 Å²	37.3	6%	0.06	18%	0.177	C	C	.	.	H	α-helix	trans	-55.9	-47.1	174.8	170	71.4	0	0	0	112	Y194 H195 R200 L202 D208 H300 H330	Y194-H198 PolarHBondContact O-N 3.16Å; H195-H198 WeakPolarHBondContact O-CB 3.04Å; H195-H198 PolarHBondContact O-N 3.09Å; H198-R200 VanDerWaalsContact C-N 3.31Å; H198-R200 PolarHBondContact O-N 3.14Å; H198-L202 WeakPolarHBondContact CE1-CD1 3.44Å; H198-L202 WeakPolarHBondContact O-CA 3.31Å; H198-L202 PolarHBondContact O-N 3.1Å; H198-L202 VanDerWaalsContact O-N 3.09Å; H198-D208 IonicContact CE1-OD2 3.25Å; H198-D208 IonicContact CG-OD1 3.49Å; H198-D208 VanDerWaalsContact ND1-CG 3.27Å; H198-D208 IonicContact ND1-OD1 2.7Å; H198-D208 PolarHBondContact ND1-OD1 2.88Å; H198-D208 IonicContact ND1-OD2 2.77Å; H198-D208 PolarHBondContact ND1-OD2 3.15Å; H198-H300 AromaticContact CE1-CD2 3.34Å; H198-H300 PolarHBondContact CE1-CD2 2.71Å; H198-H300 AromaticContact CE1-NE2 3.33Å; H198-H300 PolarHBondContact CE1-NE2 2.81Å; H198-H300 VanDerWaalsContact CE1-NE2 3.33Å; H198-H300 AromaticContact NE2-CD2 3.41Å; H198-H300 PolarHBondContact NE2-CD2 3.12Å; H198-H300 AromaticContact NE2-CE1 3.95Å; H198-H300 AromaticContact NE2-NE2 3Å; H198-H300 PolarHBondContact NE2-NE2 2.76Å; H198-H330 AromaticContact CD2-CE1 3.81Å; H198-H330 AromaticContact NE2-CE1 3.32Å; H198-H330 PolarHBondContact NE2-CE1 3.14Å; H198-H330 VanDerWaalsContact NE2-CE1 3.32Å; H198-H330 AromaticContact NE2-NE2 3.6Å
199	H	97	Very high	96.4	Very high	21 Å²	21	37.7 Å²	37.7	10%	0.097	18%	0.179	C	C	.	.	H	α-helix	trans	-66.2	-30.9	173.7	-80.2	-70.7	0	0	0	114.2	Q84 H160 H195 D197 H329 H330	Q84-H199 PolarHBondContact NE2-O 3.03Å; H160-H199 AromaticContact CE1-CD2 3.4Å; H160-H199 PolarHBondContact CE1-CD2 3.27Å; H160-H199 AromaticContact CE1-NE2 3.38Å; H160-H199 PolarHBondContact CE1-NE2 3.22Å; H160-H199 AromaticContact NE2-CD2 3.9Å; H160-H199 AromaticContact NE2-NE2 3.48Å; H160-H199 PolarHBondContact NE2-NE2 2.94Å; H195-H199 AromaticContact CD2-CD2 3.94Å; H195-H199 AromaticContact CE1-CD2 3.43Å; H195-H199 PolarHBondContact CE1-CD2 3.26Å; H195-H199 VanDerWaalsContact CE1-CD2 3.43Å; H195-H199 AromaticContact CE1-NE2 3.1Å; H195-H199 PolarHBondContact CE1-NE2 3.1Å; H195-H199 AromaticContact NE2-CD2 3.34Å; H195-H199 PolarHBondContact NE2-CD2 3.04Å; H195-H199 VanDerWaalsContact NE2-CD2 3.34Å; H195-H199 AromaticContact NE2-NE2 3.03Å; H195-H199 PolarHBondContact NE2-NE2 3.2Å; H195-H199 PolarHBondContact O-CD2 2.77Å; H195-H199 PolarHBondContact O-N 2.85Å; H195-H199 VanDerWaalsContact O-N 3.12Å; D197-H199 PolarHBondContact O-N 2.63Å; H199-H329 AromaticContact CE1-CD2 3.39Å; H199-H329 PolarHBondContact CE1-CD2 3.08Å; H199-H329 AromaticContact CE1-NE2 3.08Å; H199-H329 PolarHBondContact CE1-NE2 2.9Å; H199-H329 AromaticContact NE2-CD2 3.73Å; H199-H329 AromaticContact NE2-CE1 3.9Å; H199-H329 AromaticContact NE2-NE2 2.98Å; H199-H329 PolarHBondContact NE2-NE2 2.84Å; H199-H330 AromaticContact CE1-CD2 3.48Å; H199-H330 PolarHBondContact CE1-CD2 2.72Å; H199-H330 VanDerWaalsContact CE1-CD2 3.48Å; H199-H330 AromaticContact CE1-CE1 3.49Å; H199-H330 PolarHBondContact CE1-CE1 3.37Å; H199-H330 VanDerWaalsContact CE1-CE1 3.49Å; H199-H330 AromaticContact CE1-CG 3.73Å; H199-H330 AromaticContact CE1-ND1 3.75Å; H199-H330 AromaticContact CE1-NE2 3.26Å; H199-H330 PolarHBondContact CE1-NE2 3.37Å; H199-H330 VanDerWaalsContact CE1-NE2 3.26Å; H199-H330 AromaticContact ND1-CD2 3.88Å; H199-H330 AromaticContact ND1-CE1 3.37Å; H199-H330 PolarHBondContact ND1-CE1 3.17Å; H199-H330 AromaticContact ND1-CG 3.67Å; H199-H330 AromaticContact ND1-ND1 3.35Å; H199-H330 PolarHBondContact ND1-ND1 3.48Å; H199-H330 AromaticContact ND1-NE2 3.63Å
200	R	94.8	Very high	96.3	Very high	147 Å²	147	38.1 Å²	38.1	56%	0.555	18%	0.179	S	C	*	.	H	α-helix	trans	-80.6	-40.5	-176.6	-176	174.2	-179.8	177.9	-0.8	112.2	Q84 I196 D197 H198	Q84-R200 PolarHBondContact NE2-O 3.39Å; I196-R200 VanDerWaalsContact O-CB 3.32Å; I196-R200 WeakPolarHBondContact O-CB 3.27Å; I196-R200 PolarHBondContact O-N 3.15Å; I196-R200 VanDerWaalsContact O-N 3.1Å; D197-R200 CarbonylContact O-C 3.24Å; D197-R200 PolarHBondContact O-N 2.97Å; H198-R200 VanDerWaalsContact C-N 3.31Å; H198-R200 PolarHBondContact O-N 3.14Å
201	Y	95.6	Very high	96.3	Very high	33 Å²	33	36.4 Å²	36.4	13%	0.129	17%	0.167	C	C	.	.	S	Bend	trans	-123.6	44.5	-171.5	-52.9	-63.6	0	0	0	110.3	D197 G203 G204 L207 D208 Y383 L385	D197-Y201 HydrophobicContact CB-CD2 4.17Å; D197-Y201 PolarHBondContact O-N 3.11Å; Y201-G203 PolarHBondContact O-N 2.95Å; Y201-G204 VanDerWaalsContact O-CA 3.31Å; Y201-G204 WeakPolarHBondContact O-CA 3.37Å; Y201-G204 PolarHBondContact O-N 3.2Å; Y201-L207 HydrophobicContact CD1-CD1 4.05Å; Y201-L207 HydrophobicContact CD2-CB 4.18Å; Y201-L207 HydrophobicContact CD2-CD1 4.3Å; Y201-L207 HydrophobicContact CG-CB 4.18Å; Y201-L207 HydrophobicContact CG-CD1 3.94Å; Y201-D208 WeakPolarHBondContact O-CB 3.19Å; Y201-Y383 AromaticContact CD1-CD1 3.85Å; Y201-Y383 HydrophobicContact CD1-CD1 3.85Å; Y201-Y383 HydrophobicContact CD1-CD2 4.46Å; Y201-Y383 HydrophobicContact CD1-CE1 4.16Å; Y201-Y383 HydrophobicContact CD1-CG 4.01Å; Y201-L385 HydrophobicContact CE1-CD2 4.1Å
202	L	96.4	Very high	96.2	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	123.5	-175.9	-179.9	65.7	0	0	0	111.6	Q84 H198 G204 E308 R381 Y383	Q84-L202 HydrophobicContact CB-CB 4.26Å; Q84-L202 HydrophobicContact CB-CD2 4.49Å; H198-L202 WeakPolarHBondContact CE1-CD1 3.44Å; H198-L202 WeakPolarHBondContact O-CA 3.31Å; H198-L202 PolarHBondContact O-N 3.1Å; H198-L202 VanDerWaalsContact O-N 3.09Å; L202-G204 PolarHBondContact O-N 3.38Å; L202-E308 HydrophobicContact CD2-CG 4.44Å; L202-R381 PolarHBondContact O-NH1 3.19Å; L202-Y383 PolarHBondContact N-OH 3.17Å; L202-Y383 PolarHBondContact O-OH 3.22Å
203	G	96.2	Very high	96.2	Very high	2 Å²	2	34.5 Å²	34.5	2%	0.021	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	5.6	-175.9	0	0	0	0	0	113.7	Y201 D205 D208 I211 I379 K380 R381	Y201-G203 PolarHBondContact O-N 2.95Å; G203-D205 PolarHBondContact O-N 2.76Å; G203-D208 PolarHBondContact N-OD2 2.99Å; G203-I211 VanDerWaalsContact C-CD1 3.47Å; G203-I211 VanDerWaalsContact CA-CD1 3.48Å; G203-I379 WeakPolarHBondContact CA-O 3.4Å; G203-K380 CarbonylContact O-C 3.59Å; G203-K380 WeakPolarHBondContact O-CA 3.33Å; G203-R381 PolarHBondContact O-N 2.95Å
204	G	96.8	Very high	96.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-71.6	122.7	-174.9	0	0	0	0	0	112.2	Y201 L202 Q206 L207 D208 Y383	Y201-G204 VanDerWaalsContact O-CA 3.31Å; Y201-G204 WeakPolarHBondContact O-CA 3.37Å; Y201-G204 PolarHBondContact O-N 3.2Å; L202-G204 PolarHBondContact O-N 3.38Å; G204-Q206 PolarHBondContact O-N 3.18Å; G204-L207 PolarHBondContact O-N 3.18Å; G204-D208 PolarHBondContact O-N 3.43Å; G204-Y383 VanDerWaalsContact CA-CD2 3.49Å; G204-Y383 VanDerWaalsContact CA-CE2 3.45Å
205	D	95.9	Very high	96.1	Very high	56 Å²	56	40.5 Å²	40.5	30%	0.299	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	127	178.5	-172.2	31.5	0	0	0	111	W79 G203 L207 K380 R381	W79-D205 HydrophobicContact CH2-CB 4Å; W79-D205 HydrophobicContact CZ3-CB 4.14Å; G203-D205 PolarHBondContact O-N 2.76Å; D205-L207 PolarHBondContact O-N 3.35Å; D205-K380 WeakPolarHBondContact OD1-CE 3.42Å; D205-K380 IonicContact OD1-NZ 3.76Å; D205-K380 PolarHBondContact OD1-NZ 2.77Å; D205-K380 IonicContact OD2-NZ 3.6Å; D205-R381 PolarHBondContact N-O 3.48Å
206	Q	94.2	Very high	96.1	Very high	128 Å²	128	40 Å²	40	60%	0.598	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.7	-0.2	-175.4	-53.2	-178	-4.7	0	0	116.1	G204 V244 N245	G204-Q206 PolarHBondContact O-N 3.18Å; Q206-V244 HydrophobicContact CB-CG1 4.42Å; Q206-N245 VanDerWaalsContact O-CB 3.27Å; Q206-N245 WeakPolarHBondContact O-CB 3.43Å; Q206-N245 PolarHBondContact O-ND2 3.18Å
207	L	95.8	Very high	96	Very high	26 Å²	26	36.7 Å²	36.7	14%	0.136	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-45	176.7	-66.2	176.2	0	0	0	110.9	Y201 G204 D205 V209 Y383 L385	Y201-L207 HydrophobicContact CD1-CD1 4.05Å; Y201-L207 HydrophobicContact CD2-CB 4.18Å; Y201-L207 HydrophobicContact CD2-CD1 4.3Å; Y201-L207 HydrophobicContact CG-CB 4.18Å; Y201-L207 HydrophobicContact CG-CD1 3.94Å; G204-L207 PolarHBondContact O-N 3.18Å; D205-L207 PolarHBondContact O-N 3.35Å; L207-V209 PolarHBondContact O-N 3.18Å; L207-Y383 HydrophobicContact CD1-CD2 4.29Å; L207-Y383 HydrophobicContact CD1-CG 4.27Å; L207-L385 HydrophobicContact CD1-CD2 4.04Å; L207-L385 HydrophobicContact CD1-CG 4.44Å; L207-L385 HydrophobicContact CD2-CD1 4.19Å
208	D	96.6	Very high	96	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.016	18%	0.181	C	C	.	.			trans	-91.6	97.2	176.4	-173.5	4.4	0	0	0	110.3	H198 Y201 G203 G204 D210 I211	H198-D208 IonicContact CE1-OD2 3.25Å; H198-D208 IonicContact CG-OD1 3.49Å; H198-D208 VanDerWaalsContact ND1-CG 3.27Å; H198-D208 IonicContact ND1-OD1 2.7Å; H198-D208 PolarHBondContact ND1-OD1 2.88Å; H198-D208 IonicContact ND1-OD2 2.77Å; H198-D208 PolarHBondContact ND1-OD2 3.15Å; Y201-D208 WeakPolarHBondContact O-CB 3.19Å; G203-D208 PolarHBondContact N-OD2 2.99Å; G204-D208 PolarHBondContact O-N 3.43Å; D208-D210 PolarHBondContact O-N 3.43Å; D208-D210 WeakPolarHBondContact OD1-CB 3.42Å; D208-D210 PolarHBondContact OD1-N 3.47Å; D208-D210 VanDerWaalsContact OD1-N 3.16Å; D208-I211 HydrophobicContact CB-CD1 4.08Å; D208-I211 HydrophobicContact CB-CG1 4.26Å; D208-I211 PolarHBondContact O-N 2.82Å
209	V	96.2	Very high	95.9	Very high	11 Å²	11	42.3 Å²	42.3	7%	0.067	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-4.8	-178.8	-60.6	0	0	0	0	113.4	Y194 L207 I211 R240 P241 V244 N245	Y194-V209 HydrophobicContact CD1-CB 4.46Å; Y194-V209 HydrophobicContact CD1-CG1 4.07Å; Y194-V209 HydrophobicContact CD1-CG2 3.56Å; Y194-V209 HydrophobicContact CE1-CG1 4.21Å; Y194-V209 HydrophobicContact CE1-CG2 4.37Å; Y194-V209 HydrophobicContact CG-CG2 3.89Å; L207-V209 PolarHBondContact O-N 3.18Å; V209-I211 PolarHBondContact O-N 3.47Å; V209-R240 WeakPolarHBondContact O-CD 3.23Å; V209-R240 PolarHBondContact O-NH1 3.39Å; V209-R240 VanDerWaalsContact O-NH1 3.13Å; V209-P241 HydrophobicContact CB-CB 4.06Å; V209-P241 HydrophobicContact CB-CG 4.02Å; V209-P241 HydrophobicContact CG1-CB 4.21Å; V209-P241 HydrophobicContact CG2-CB 3.89Å; V209-P241 HydrophobicContact CG2-CG 3.73Å; V209-V244 HydrophobicContact CG1-CB 4.33Å; V209-V244 HydrophobicContact CG1-CG1 4.29Å; V209-N245 HydrophobicContact CG1-CB 3.57Å
210	D	95.5	Very high	95.9	Very high	23 Å²	23	41.5 Å²	41.5	12%	0.123	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-25.4	172.4	-172.9	63.9	0	0	0	111.7	D208 Y237 R240 R378	D208-D210 PolarHBondContact O-N 3.43Å; D208-D210 WeakPolarHBondContact OD1-CB 3.42Å; D208-D210 PolarHBondContact OD1-N 3.47Å; D208-D210 VanDerWaalsContact OD1-N 3.16Å; D210-Y237 WeakPolarHBondContact OD1-CE1 3.23Å; D210-Y237 PolarHBondContact OD1-OH 3.16Å; D210-R240 VanDerWaalsContact C-NH1 3.35Å; D210-R240 PolarHBondContact O-NH1 3.2Å; D210-R378 PolarHBondContact O-NH1 3.01Å; D210-R378 IonicContact OD2-CZ 3.49Å; D210-R378 VanDerWaalsContact OD2-CZ 3.23Å; D210-R378 IonicContact OD2-NH1 2.74Å; D210-R378 PolarHBondContact OD2-NH1 3.14Å; D210-R378 IonicContact OD2-NH2 2.72Å; D210-R378 PolarHBondContact OD2-NH2 3.46Å
211	I	96.5	Very high	95.8	Very high	10 Å²	10	36.6 Å²	36.6	5%	0.051	17%	0.174	C	C	.	.	S	Bend	trans	-72.9	131.3	178.9	-50.2	173.8	0	0	0	110	F77 G203 D208 V209 R240 R378 K380	F77-I211 HydrophobicContact CD1-CG2 4.25Å; F77-I211 HydrophobicContact CE1-CG2 3.81Å; F77-I211 HydrophobicContact CZ-CG2 4.27Å; G203-I211 VanDerWaalsContact C-CD1 3.47Å; G203-I211 VanDerWaalsContact CA-CD1 3.48Å; D208-I211 HydrophobicContact CB-CD1 4.08Å; D208-I211 HydrophobicContact CB-CG1 4.26Å; D208-I211 PolarHBondContact O-N 2.82Å; V209-I211 PolarHBondContact O-N 3.47Å; I211-R240 WeakPolarHBondContact O-CD 3.44Å; I211-R240 PolarHBondContact O-NH1 3.35Å; I211-R378 HydrophobicContact CG2-CB 4.19Å; I211-R378 HydrophobicContact CG2-CG 4.41Å; I211-K380 HydrophobicContact CD1-CG 4.07Å; I211-K380 HydrophobicContact CG2-CD 4.38Å; I211-K380 HydrophobicContact CG2-CG 4.27Å
212	P	96.8	Very high	95.8	Very high	4 Å²	4	37.6 Å²	37.6	3%	0.026	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-56.7	154.1	171.7	-24.6	35.8	0	0	0	113	F77 E216 W229 Y301 P375	F77-P212 WeakPolarHBondContact CZ-O 3.17Å; P212-E216 HydrophobicContact CB-CB 3.94Å; P212-W229 HydrophobicContact CG-CZ2 4.37Å; P212-Y301 WeakPolarHBondContact CG-OH 3.29Å; P212-P375 HydrophobicContact CB-CB 3.77Å; P212-P375 HydrophobicContact CG-CB 3.85Å
213	T	96.5	Very high	95.8	Very high	42 Å²	42	40.4 Å²	40.4	26%	0.258	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-74.8	162.2	171.2	59.2	0	0	0	0	111.9	W215 E216 G217 R240 V244	T213-W215 PolarHBondContact O-N 2.96Å; T213-E216 PolarHBondContact N-OE2 3.22Å; T213-E216 WeakPolarHBondContact O-CB 3.29Å; T213-E216 PolarHBondContact O-N 3.42Å; T213-E216 WeakPolarHBondContact OG1-CG 3.41Å; T213-E216 PolarHBondContact OG1-N 3.03Å; T213-E216 PolarHBondContact OG1-OE2 3.22Å; T213-G217 PolarHBondContact O-N 2.64Å; T213-R240 HydrophobicContact CG2-CG 4.08Å; T213-V244 HydrophobicContact CG2-CG2 3.77Å
214	D	95.4	Very high	95.9	Very high	83 Å²	83	44 Å²	44	44%	0.444	23%	0.233	S	C	.	.	H	α-helix	trans	-57.1	-34.9	172.4	-71.6	-59.2	0	0	0	112.6	F77 G217 W218 Y376	F77-D214 WeakPolarHBondContact CE2-OD1 3.22Å; D214-G217 PolarHBondContact O-N 2.92Å; D214-W218 VanDerWaalsContact O-CB 3.3Å; D214-W218 WeakPolarHBondContact O-CB 3.36Å; D214-W218 PolarHBondContact O-N 3.08Å; D214-Y376 PolarHBondContact O-OH 3.28Å
215	W	95.6	Very high	95.9	Very high	133 Å²	133	48.6 Å²	48.6	50%	0.504	25%	0.25	S	C	.	.	H	α-helix	trans	-65.1	-43.2	175.6	176.2	85.7	0	0	0	111.4	T213 W218 F219 F220 F236	T213-W215 PolarHBondContact O-N 2.96Å; W215-W218 PolarHBondContact O-N 3.2Å; W215-F219 HydrophobicContact CD2-CB 4.4Å; W215-F219 HydrophobicContact CH2-CD1 4.07Å; W215-F219 HydrophobicContact CH2-CG 4.39Å; W215-F219 HydrophobicContact CZ2-CB 4.15Å; W215-F219 AromaticContact CZ2-CD1 3.98Å; W215-F219 HydrophobicContact CZ2-CD1 3.98Å; W215-F219 HydrophobicContact CZ2-CD2 4.34Å; W215-F219 HydrophobicContact CZ2-CE1 4.49Å; W215-F219 AromaticContact CZ2-CG 3.9Å; W215-F219 HydrophobicContact CZ2-CG 3.9Å; W215-F219 WeakPolarHBondContact O-CB 3.32Å; W215-F219 PolarHBondContact O-N 2.85Å; W215-F220 HydrophobicContact CE3-CE2 4.45Å; W215-F220 AromaticContact CH2-CE2 3.88Å; W215-F220 HydrophobicContact CH2-CE2 3.88Å; W215-F220 HydrophobicContact CH2-CZ 4.07Å; W215-F220 AromaticContact CZ3-CE2 3.62Å; W215-F220 HydrophobicContact CZ3-CE2 3.62Å; W215-F220 HydrophobicContact CZ3-CZ 4.22Å; W215-F236 HydrophobicContact CZ3-CE1 4.43Å
216	E	96.5	Very high	96	Very high	5 Å²	5	46.3 Å²	46.3	2%	0.023	24%	0.237	C	C	.	.	H	α-helix	trans	-61.6	-47	176.4	-72.6	169.4	84.7	0	0	111.2	P212 T213 W218 F219 F220 W229 F236 R240	P212-E216 HydrophobicContact CB-CB 3.94Å; T213-E216 PolarHBondContact N-OE2 3.22Å; T213-E216 WeakPolarHBondContact O-CB 3.29Å; T213-E216 PolarHBondContact O-N 3.42Å; T213-E216 WeakPolarHBondContact OG1-CG 3.41Å; T213-E216 PolarHBondContact OG1-N 3.03Å; T213-E216 PolarHBondContact OG1-OE2 3.22Å; E216-W218 PolarHBondContact O-N 3.13Å; E216-F219 PolarHBondContact O-N 2.71Å; E216-F220 HydrophobicContact CB-CD2 4.13Å; E216-F220 HydrophobicContact CB-CE2 4.48Å; E216-F220 HydrophobicContact CG-CD2 4.36Å; E216-F220 HydrophobicContact CG-CE2 4.23Å; E216-F220 WeakPolarHBondContact O-CB 3.38Å; E216-F220 WeakPolarHBondContact O-CD2 3.35Å; E216-F220 PolarHBondContact O-N 3.01Å; E216-W229 PolarHBondContact OE1-NE1 3.48Å; E216-F236 HydrophobicContact CG-CD1 4.47Å; E216-F236 HydrophobicContact CG-CE1 4.24Å; E216-F236 WeakPolarHBondContact OE1-CD1 3.24Å; E216-F236 WeakPolarHBondContact OE1-CG 3.38Å; E216-R240 IonicContact OE1-CZ 3.23Å; E216-R240 IonicContact OE1-NE 3.68Å; E216-R240 PolarHBondContact OE1-NE 3.38Å; E216-R240 IonicContact OE1-NH2 2.97Å; E216-R240 PolarHBondContact OE1-NH2 3.14Å; E216-R240 IonicContact OE2-CZ 2.71Å; E216-R240 IonicContact OE2-NE 3.65Å; E216-R240 PolarHBondContact OE2-NE 2.84Å; E216-R240 IonicContact OE2-NH2 2.64Å
217	G	95.1	Very high	96.1	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-57.1	-48.4	175.6	0	0	0	0	0	113	T213 D214 Y376	T213-G217 PolarHBondContact O-N 2.64Å; D214-G217 PolarHBondContact O-N 2.92Å; G217-Y376 VanDerWaalsContact C-CD2 3.49Å; G217-Y376 WeakPolarHBondContact O-CE2 3.35Å
218	W	95.1	Very high	96.2	Very high	101 Å²	101	45.6 Å²	45.6	38%	0.383	24%	0.239	S	C	.	.	H	α-helix	trans	-69.1	-40.2	-179.7	168.4	83.6	0	0	0	112.8	K70 D214 W215 E216 C221 Y376	K70-W218 PolarHBondContact NZ-O 3.3Å; D214-W218 VanDerWaalsContact O-CB 3.3Å; D214-W218 WeakPolarHBondContact O-CB 3.36Å; D214-W218 PolarHBondContact O-N 3.08Å; W215-W218 PolarHBondContact O-N 3.2Å; E216-W218 PolarHBondContact O-N 3.13Å; W218-C221 PolarHBondContact O-SG 2.97Å; W218-C221 VanDerWaalsContact O-SG 3.41Å; W218-Y376 HydrophobicContact CB-CE2 4.4Å; W218-Y376 VanDerWaalsContact N-CE2 3.28Å
219	F	96.3	Very high	96.2	Very high	58 Å²	58	45.5 Å²	45.5	25%	0.254	24%	0.239	S	C	.	.	H	α-helix	trans	-78.7	-47.5	-173.2	-176.1	-103.4	0	0	0	111.9	W215 E216 C221 R225	W215-F219 HydrophobicContact CD2-CB 4.4Å; W215-F219 HydrophobicContact CH2-CD1 4.07Å; W215-F219 HydrophobicContact CH2-CG 4.39Å; W215-F219 HydrophobicContact CZ2-CB 4.15Å; W215-F219 AromaticContact CZ2-CD1 3.98Å; W215-F219 HydrophobicContact CZ2-CD1 3.98Å; W215-F219 HydrophobicContact CZ2-CD2 4.34Å; W215-F219 HydrophobicContact CZ2-CE1 4.49Å; W215-F219 AromaticContact CZ2-CG 3.9Å; W215-F219 HydrophobicContact CZ2-CG 3.9Å; W215-F219 WeakPolarHBondContact O-CB 3.32Å; W215-F219 PolarHBondContact O-N 2.85Å; E216-F219 PolarHBondContact O-N 2.71Å; F219-C221 VanDerWaalsContact C-N 3.25Å; F219-C221 PolarHBondContact O-N 3.23Å; F219-C221 VanDerWaalsContact O-N 3.1Å; F219-R225 WeakPolarHBondContact O-CD 3.46Å; F219-R225 PolarHBondContact O-NH1 3.2Å; F219-R225 VanDerWaalsContact O-NH1 3.12Å
220	F	96.5	Very high	96.2	Very high	3 Å²	3	45.3 Å²	45.3	1%	0.013	24%	0.237	C	C	.	.	S	Bend	trans	-89.1	50.8	-174.6	-58.9	-74.6	0	0	0	112.6	W215 E216 R225 K226 L228 W229 L232 F236 P375	W215-F220 HydrophobicContact CE3-CE2 4.45Å; W215-F220 AromaticContact CH2-CE2 3.88Å; W215-F220 HydrophobicContact CH2-CE2 3.88Å; W215-F220 HydrophobicContact CH2-CZ 4.07Å; W215-F220 AromaticContact CZ3-CE2 3.62Å; W215-F220 HydrophobicContact CZ3-CE2 3.62Å; W215-F220 HydrophobicContact CZ3-CZ 4.22Å; E216-F220 HydrophobicContact CB-CD2 4.13Å; E216-F220 HydrophobicContact CB-CE2 4.48Å; E216-F220 HydrophobicContact CG-CD2 4.36Å; E216-F220 HydrophobicContact CG-CE2 4.23Å; E216-F220 WeakPolarHBondContact O-CB 3.38Å; E216-F220 WeakPolarHBondContact O-CD2 3.35Å; E216-F220 PolarHBondContact O-N 3.01Å; F220-R225 HydrophobicContact CD1-CB 4.04Å; F220-R225 WeakPolarHBondContact CD1-O 3.1Å; F220-K226 WeakPolarHBondContact O-CG 3.48Å; F220-L228 HydrophobicContact CE1-CD2 4.31Å; F220-L228 HydrophobicContact CE1-CG 4.29Å; F220-W229 HydrophobicContact CB-CB 3.98Å; F220-W229 HydrophobicContact CB-CG 4.19Å; F220-W229 HydrophobicContact CD1-CB 3.66Å; F220-W229 HydrophobicContact CD1-CG 4.33Å; F220-W229 HydrophobicContact CD2-CB 4.32Å; F220-W229 AromaticContact CD2-CD1 3.29Å; F220-W229 HydrophobicContact CD2-CG 4.12Å; F220-W229 HydrophobicContact CE1-CB 4.13Å; F220-W229 AromaticContact CE2-CD1 3.63Å; F220-W229 HydrophobicContact CG-CB 3.74Å; F220-W229 AromaticContact CG-CD1 3.6Å; F220-W229 AromaticContact CG-CG 3.98Å; F220-W229 HydrophobicContact CG-CG 3.98Å; F220-L232 HydrophobicContact CZ-CD1 4.31Å; F220-F236 HydrophobicContact CE2-CE1 4.39Å; F220-F236 HydrophobicContact CE2-CE2 4.07Å; F220-F236 AromaticContact CE2-CZ 3.53Å; F220-F236 HydrophobicContact CE2-CZ 3.53Å; F220-F236 HydrophobicContact CZ-CE2 4.15Å; F220-F236 AromaticContact CZ-CZ 3.61Å; F220-F236 HydrophobicContact CZ-CZ 3.61Å; F220-P375 HydrophobicContact CB-CG 3.97Å; F220-P375 WeakPolarHBondContact O-CD 3.28Å
221	C	93.3	Very high	96.2	Very high	44 Å²	44	48.4 Å²	48.4	30%	0.297	25%	0.25	S	C	.	.			trans	-103.3	2	-173.7	68.7	0	0	0	0	114.7	K70 W218 F219	K70-C221 PolarHBondContact NZ-SG 3.16Å; W218-C221 PolarHBondContact O-SG 2.97Å; W218-C221 VanDerWaalsContact O-SG 3.41Å; F219-C221 VanDerWaalsContact C-N 3.25Å; F219-C221 PolarHBondContact O-N 3.23Å; F219-C221 VanDerWaalsContact O-N 3.1Å
222	T	95.1	Very high	96.2	Very high	54 Å²	54	50.2 Å²	50.2	33%	0.331	26%	0.259	S	S	.	.	S	Bend	trans	-120.3	151.2	179.5	62	0	0	0	0	110	A224 R225 K226	T222-A224 PolarHBondContact O-N 3.22Å; T222-R225 CarbonylContact O-C 3.55Å; T222-R225 WeakPolarHBondContact O-CA 3.21Å; T222-R225 PolarHBondContact O-N 2.99Å; T222-R225 WeakPolarHBondContact OG1-CB 3.35Å; T222-R225 WeakPolarHBondContact OG1-CD 3.24Å; T222-R225 VanDerWaalsContact OG1-CG 3.23Å; T222-R225 WeakPolarHBondContact OG1-CG 3.29Å; T222-K226 WeakPolarHBondContact O-CG 2.97Å; T222-K226 PolarHBondContact O-N 2.75Å
223	P	96.9	Very high	96	Very high	61 Å²	61	50 Å²	50	40%	0.396	26%	0.258	S	S	.	.	H	α-helix	trans	-49.3	-50	-176.4	-30.3	35.4	0	0	0	114.6	R225 K226 V227 V368 F369	P223-R225 VanDerWaalsContact C-N 3.3Å; P223-R225 PolarHBondContact O-N 2.92Å; P223-K226 PolarHBondContact O-N 3.07Å; P223-K226 VanDerWaalsContact O-N 3.11Å; P223-V227 WeakPolarHBondContact O-CG2 3.28Å; P223-V227 PolarHBondContact O-N 3.32Å; P223-V368 WeakPolarHBondContact CA-O 3.35Å; P223-V368 HydrophobicContact CB-CG1 4.06Å; P223-F369 HydrophobicContact CB-CD1 4.34Å; P223-F369 HydrophobicContact CB-CE1 4.41Å
224	A	97.4	Very high	95.9	Very high	79 Å²	79	49 Å²	49	65%	0.653	25%	0.252	S	S	*	.	H	α-helix	trans	-60	-39.1	178.7	0	0	0	0	0	113.1	T222 L228	T222-A224 PolarHBondContact O-N 3.22Å; A224-L228 PolarHBondContact O-N 3.39Å; A224-L228 VanDerWaalsContact O-N 3.16Å
225	R	97.2	Very high	95.9	Very high	96 Å²	96	49 Å²	49	36%	0.362	25%	0.248	S	C	.	.	H	α-helix	trans	-73	-36.4	175.9	-63.8	-179.4	-171.2	177.9	1	111.4	F219 F220 T222 P223 V227 L228 W229	F219-R225 WeakPolarHBondContact O-CD 3.46Å; F219-R225 PolarHBondContact O-NH1 3.2Å; F219-R225 VanDerWaalsContact O-NH1 3.12Å; F220-R225 HydrophobicContact CD1-CB 4.04Å; F220-R225 WeakPolarHBondContact CD1-O 3.1Å; T222-R225 CarbonylContact O-C 3.55Å; T222-R225 WeakPolarHBondContact O-CA 3.21Å; T222-R225 PolarHBondContact O-N 2.99Å; T222-R225 WeakPolarHBondContact OG1-CB 3.35Å; T222-R225 WeakPolarHBondContact OG1-CD 3.24Å; T222-R225 VanDerWaalsContact OG1-CG 3.23Å; T222-R225 WeakPolarHBondContact OG1-CG 3.29Å; P223-R225 VanDerWaalsContact C-N 3.3Å; P223-R225 PolarHBondContact O-N 2.92Å; R225-V227 VanDerWaalsContact C-N 3.32Å; R225-V227 PolarHBondContact O-N 2.89Å; R225-L228 CarbonylContact O-C 3.53Å; R225-L228 WeakPolarHBondContact O-CA 3.46Å; R225-L228 WeakPolarHBondContact O-CB 3.17Å; R225-L228 PolarHBondContact O-N 3.39Å; R225-L228 VanDerWaalsContact O-N 3.13Å; R225-W229 PolarHBondContact O-N 2.73Å
226	K	97.4	Very high	95.8	Very high	7 Å²	7	44.1 Å²	44.1	3%	0.03	23%	0.23	C	C	.	.	H	α-helix	trans	-63.4	-38.1	174.2	-66.1	-173.5	-159.7	167.1	0	111.8	F220 T222 P223 L228 W229 L230 F367 V368 D370 I373	F220-K226 WeakPolarHBondContact O-CG 3.48Å; T222-K226 WeakPolarHBondContact O-CG 2.97Å; T222-K226 PolarHBondContact O-N 2.75Å; P223-K226 PolarHBondContact O-N 3.07Å; P223-K226 VanDerWaalsContact O-N 3.11Å; K226-L228 VanDerWaalsContact C-N 3.34Å; K226-L228 PolarHBondContact O-N 3.44Å; K226-W229 WeakPolarHBondContact O-CB 3.44Å; K226-W229 PolarHBondContact O-N 3.15Å; K226-W229 VanDerWaalsContact O-N 3.13Å; K226-L230 WeakPolarHBondContact O-CG 3.19Å; K226-L230 PolarHBondContact O-N 3.21Å; K226-F367 HydrophobicContact CB-CD1 4.22Å; K226-F367 HydrophobicContact CB-CE1 3.88Å; K226-F367 HydrophobicContact CD-CD1 4.48Å; K226-F367 HydrophobicContact CD-CE1 4.37Å; K226-F367 WeakPolarHBondContact CD-O 3.41Å; K226-F367 HydrophobicContact CG-CE1 4.24Å; K226-F367 PolarHBondContact NZ-O 3.11Å; K226-F367 VanDerWaalsContact NZ-O 3.11Å; K226-V368 HydrophobicContact CB-CG2 4.36Å; K226-D370 PolarHBondContact NZ-O 2.95Å; K226-I373 VanDerWaalsContact CE-O 3.29Å; K226-I373 WeakPolarHBondContact CE-O 3.45Å; K226-I373 PolarHBondContact NZ-O 3.12Å
227	V	97.4	Very high	95.6	Very high	62 Å²	62	46.7 Å²	46.7	38%	0.376	24%	0.241	S	C	.	.	H	α-helix	trans	-59.8	-45	170.2	173.8	0	0	0	0	111.1	P223 R225 W229 L230 F231 I289 V368	P223-V227 WeakPolarHBondContact O-CG2 3.28Å; P223-V227 PolarHBondContact O-N 3.32Å; R225-V227 VanDerWaalsContact C-N 3.32Å; R225-V227 PolarHBondContact O-N 2.89Å; V227-W229 VanDerWaalsContact C-N 3.28Å; V227-W229 PolarHBondContact O-N 3Å; V227-L230 WeakPolarHBondContact O-CB 3.22Å; V227-L230 PolarHBondContact O-N 2.78Å; V227-F231 PolarHBondContact O-N 3.12Å; V227-F231 VanDerWaalsContact O-N 3.08Å; V227-I289 HydrophobicContact CG1-CD1 3.97Å; V227-V368 HydrophobicContact CG2-CB 4.46Å; V227-V368 HydrophobicContact CG2-CG1 3.64Å; V227-V368 HydrophobicContact CG2-CG2 3.87Å
228	L	97.1	Very high	95.5	Very high	78 Å²	78	49.6 Å²	49.6	41%	0.408	26%	0.264	S	S	.	.	H	α-helix	trans	-61.6	-37.8	174	179.1	62.1	0	0	0	111.9	F220 A224 R225 K226 F231 L232	F220-L228 HydrophobicContact CE1-CD2 4.31Å; F220-L228 HydrophobicContact CE1-CG 4.29Å; A224-L228 PolarHBondContact O-N 3.39Å; A224-L228 VanDerWaalsContact O-N 3.16Å; R225-L228 CarbonylContact O-C 3.53Å; R225-L228 WeakPolarHBondContact O-CA 3.46Å; R225-L228 WeakPolarHBondContact O-CB 3.17Å; R225-L228 PolarHBondContact O-N 3.39Å; R225-L228 VanDerWaalsContact O-N 3.13Å; K226-L228 VanDerWaalsContact C-N 3.34Å; K226-L228 PolarHBondContact O-N 3.44Å; L228-F231 PolarHBondContact O-N 3.15Å; L228-L232 HydrophobicContact CD1-CD1 3.96Å; L228-L232 HydrophobicContact CD1-CG 4.09Å; L228-L232 HydrophobicContact CD2-CD1 4.46Å; L228-L232 HydrophobicContact CG-CD1 3.87Å; L228-L232 HydrophobicContact CG-CG 4.36Å; L228-L232 WeakPolarHBondContact O-CB 3.37Å; L228-L232 VanDerWaalsContact O-CG 3.31Å; L228-L232 WeakPolarHBondContact O-CG 3.24Å; L228-L232 PolarHBondContact O-N 3.33Å
229	W	96.9	Very high	95.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.2	-45	175.7	-172.4	83.9	0	0	0	111.5	P212 E216 F220 R225 K226 V227 F231 L232 Q233 F236 I297 Y301 F367	P212-W229 HydrophobicContact CG-CZ2 4.37Å; E216-W229 PolarHBondContact OE1-NE1 3.48Å; F220-W229 HydrophobicContact CB-CB 3.98Å; F220-W229 HydrophobicContact CB-CG 4.19Å; F220-W229 HydrophobicContact CD1-CB 3.66Å; F220-W229 HydrophobicContact CD1-CG 4.33Å; F220-W229 HydrophobicContact CD2-CB 4.32Å; F220-W229 AromaticContact CD2-CD1 3.29Å; F220-W229 HydrophobicContact CD2-CG 4.12Å; F220-W229 HydrophobicContact CE1-CB 4.13Å; F220-W229 AromaticContact CE2-CD1 3.63Å; F220-W229 HydrophobicContact CG-CB 3.74Å; F220-W229 AromaticContact CG-CD1 3.6Å; F220-W229 AromaticContact CG-CG 3.98Å; F220-W229 HydrophobicContact CG-CG 3.98Å; R225-W229 PolarHBondContact O-N 2.73Å; K226-W229 WeakPolarHBondContact O-CB 3.44Å; K226-W229 PolarHBondContact O-N 3.15Å; K226-W229 VanDerWaalsContact O-N 3.13Å; V227-W229 VanDerWaalsContact C-N 3.28Å; V227-W229 PolarHBondContact O-N 3Å; W229-F231 VanDerWaalsContact C-N 3.3Å; W229-F231 PolarHBondContact O-N 3.49Å; W229-L232 CarbonylContact O-C 3.46Å; W229-L232 PolarHBondContact O-N 3.21Å; W229-L232 VanDerWaalsContact O-N 3.09Å; W229-Q233 HydrophobicContact CH2-CG 4.41Å; W229-Q233 HydrophobicContact CZ3-CG 4.44Å; W229-Q233 PolarHBondContact O-N 2.8Å; W229-F236 AromaticContact CD1-CD2 3.75Å; W229-F236 AromaticContact CD1-CE2 3.24Å; W229-F236 HydrophobicContact CG-CD2 4.45Å; W229-F236 AromaticContact CG-CE2 4Å; W229-F236 HydrophobicContact CG-CE2 4Å; W229-F236 AromaticContact NE1-CD2 3.48Å; W229-F236 AromaticContact NE1-CE2 3.48Å; W229-I297 HydrophobicContact CZ3-CD1 3.9Å; W229-I297 HydrophobicContact CZ3-CG1 4.17Å; W229-Y301 WeakPolarHBondContact CH2-OH 3.21Å; W229-Y301 WeakPolarHBondContact CZ2-OH 3.25Å; W229-F367 HydrophobicContact CD2-CE1 4.3Å; W229-F367 HydrophobicContact CD2-CZ 4.03Å; W229-F367 AromaticContact CE3-CE1 3.53Å; W229-F367 HydrophobicContact CE3-CE1 3.53Å; W229-F367 HydrophobicContact CE3-CE2 4.49Å; W229-F367 AromaticContact CE3-CZ 3.45Å; W229-F367 HydrophobicContact CE3-CZ 3.45Å; W229-F367 VanDerWaalsContact CE3-CZ 3.45Å; W229-F367 HydrophobicContact CH2-CZ 4.46Å; W229-F367 HydrophobicContact CZ3-CE1 4.02Å; W229-F367 HydrophobicContact CZ3-CE2 4.35Å; W229-F367 AromaticContact CZ3-CZ 3.7Å; W229-F367 HydrophobicContact CZ3-CZ 3.7Å
230	L	96.3	Very high	95.5	Very high	7 Å²	7	47.3 Å²	47.3	4%	0.037	26%	0.261	C	S	.	.	H	α-helix	trans	-57.5	-43.4	173.8	-65.9	-179.7	0	0	0	111.6	K226 V227 L232 Q233 G288 I289 I297 L364 F367 V368	K226-L230 WeakPolarHBondContact O-CG 3.19Å; K226-L230 PolarHBondContact O-N 3.21Å; V227-L230 WeakPolarHBondContact O-CB 3.22Å; V227-L230 PolarHBondContact O-N 2.78Å; L230-L232 VanDerWaalsContact C-N 3.32Å; L230-L232 PolarHBondContact O-N 3.17Å; L230-Q233 VanDerWaalsContact O-CB 3.27Å; L230-Q233 WeakPolarHBondContact O-CB 3.15Å; L230-Q233 PolarHBondContact O-N 3.1Å; L230-G288 CarbonylContact O-C 3.39Å; L230-G288 VanDerWaalsContact O-C 3.29Å; L230-G288 WeakPolarHBondContact O-CA 3.49Å; L230-I289 HydrophobicContact CB-CG1 3.79Å; L230-I297 HydrophobicContact CD2-CD1 3.39Å; L230-L364 HydrophobicContact CD1-CD2 4.17Å; L230-L364 HydrophobicContact CD2-CD2 3.74Å; L230-F367 HydrophobicContact CD2-CD1 3.88Å; L230-F367 HydrophobicContact CD2-CE1 4.04Å; L230-F367 HydrophobicContact CG-CD1 4.2Å; L230-F367 HydrophobicContact CG-CE1 4.32Å; L230-V368 HydrophobicContact CD1-CG2 3.64Å
231	F	95.2	Very high	95.5	Very high	89 Å²	89	47.7 Å²	47.7	39%	0.39	26%	0.263	S	S	.	.	H	α-helix	trans	-64.2	-37	176	-179.6	-98.9	0	0	0	112.7	V227 L228 W229 I289	V227-F231 PolarHBondContact O-N 3.12Å; V227-F231 VanDerWaalsContact O-N 3.08Å; L228-F231 PolarHBondContact O-N 3.15Å; W229-F231 VanDerWaalsContact C-N 3.3Å; W229-F231 PolarHBondContact O-N 3.49Å; F231-I289 HydrophobicContact CB-CD1 3.94Å; F231-I289 HydrophobicContact CB-CG1 4.2Å
232	L	95.8	Very high	95.6	Very high	48 Å²	48	50.6 Å²	50.6	25%	0.251	28%	0.276	S	S	.	.	H	α-helix	trans	-86.1	-6.4	-178.8	-67.2	176.7	0	0	0	114.1	F220 L228 W229 L230 P234 F235 F236	F220-L232 HydrophobicContact CZ-CD1 4.31Å; L228-L232 HydrophobicContact CD1-CD1 3.96Å; L228-L232 HydrophobicContact CD1-CG 4.09Å; L228-L232 HydrophobicContact CD2-CD1 4.46Å; L228-L232 HydrophobicContact CG-CD1 3.87Å; L228-L232 HydrophobicContact CG-CG 4.36Å; L228-L232 WeakPolarHBondContact O-CB 3.37Å; L228-L232 VanDerWaalsContact O-CG 3.31Å; L228-L232 WeakPolarHBondContact O-CG 3.24Å; L228-L232 PolarHBondContact O-N 3.33Å; W229-L232 CarbonylContact O-C 3.46Å; W229-L232 PolarHBondContact O-N 3.21Å; W229-L232 VanDerWaalsContact O-N 3.09Å; L230-L232 VanDerWaalsContact C-N 3.32Å; L230-L232 PolarHBondContact O-N 3.17Å; L232-P234 VanDerWaalsContact C-CD 3.49Å; L232-F235 HydrophobicContact CD2-CD2 4.05Å; L232-F235 HydrophobicContact CD2-CE2 4.39Å; L232-F235 WeakPolarHBondContact O-CA 3.47Å; L232-F235 WeakPolarHBondContact O-CB 3.44Å; L232-F235 PolarHBondContact O-N 2.64Å; L232-F236 HydrophobicContact CB-CD2 4.19Å; L232-F236 HydrophobicContact CB-CE2 3.53Å; L232-F236 HydrophobicContact CB-CZ 3.94Å; L232-F236 HydrophobicContact CD1-CZ 4.26Å; L232-F236 PolarHBondContact O-N 3.02Å; L232-F236 VanDerWaalsContact O-N 3.16Å
233	Q	93.6	Very high	95.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-46.6	-48.7	-178.6	-170.6	169.2	32.3	0	0	114.9	W229 L230 F235 F236 Y237 L287 F296	W229-Q233 HydrophobicContact CH2-CG 4.41Å; W229-Q233 HydrophobicContact CZ3-CG 4.44Å; W229-Q233 PolarHBondContact O-N 2.8Å; L230-Q233 VanDerWaalsContact O-CB 3.27Å; L230-Q233 WeakPolarHBondContact O-CB 3.15Å; L230-Q233 PolarHBondContact O-N 3.1Å; Q233-F235 PolarHBondContact O-N 2.97Å; Q233-F236 PolarHBondContact O-N 2.9Å; Q233-Y237 HydrophobicContact CG-CD2 3.81Å; Q233-Y237 HydrophobicContact CG-CE2 3.82Å; Q233-Y237 WeakPolarHBondContact O-CD2 3.3Å; Q233-Y237 PolarHBondContact O-N 3.32Å; Q233-L287 PolarHBondContact OE1-O 3.17Å; Q233-F296 HydrophobicContact CG-CD2 4.38Å
234	P	93.8	Very high	95.5	Very high	19 Å²	19	52.7 Å²	52.7	12%	0.123	29%	0.287	C	S	.	.	H	α-helix	trans	-57.6	-33.3	177.2	20.1	-33.6	0	0	0	113.2	L232 A238 I284 L287	L232-P234 VanDerWaalsContact C-CD 3.49Å; P234-A238 WeakPolarHBondContact O-CB 3.29Å; P234-A238 PolarHBondContact O-N 3Å; P234-A238 VanDerWaalsContact O-N 3.12Å; P234-I284 HydrophobicContact CG-CG2 4.28Å; P234-L287 HydrophobicContact CB-CB 3.98Å
235	F	94.7	Very high	95.5	Very high	84 Å²	84	50.8 Å²	50.8	37%	0.368	27%	0.266	S	S	.	.	H	α-helix	trans	-72.9	-38.6	176.7	-58.4	-83.5	0	0	0	111.5	L232 Q233 A238 L239 I284	L232-F235 HydrophobicContact CD2-CD2 4.05Å; L232-F235 HydrophobicContact CD2-CE2 4.39Å; L232-F235 WeakPolarHBondContact O-CA 3.47Å; L232-F235 WeakPolarHBondContact O-CB 3.44Å; L232-F235 PolarHBondContact O-N 2.64Å; Q233-F235 PolarHBondContact O-N 2.97Å; F235-A238 PolarHBondContact O-N 3.01Å; F235-L239 HydrophobicContact CB-CD1 4.39Å; F235-L239 VanDerWaalsContact O-CB 3.24Å; F235-L239 WeakPolarHBondContact O-CB 3.28Å; F235-L239 VanDerWaalsContact O-CG 3.3Å; F235-L239 WeakPolarHBondContact O-CG 3.48Å; F235-L239 PolarHBondContact O-N 3.33Å; F235-I284 HydrophobicContact CE2-CG2 4.19Å; F235-I284 HydrophobicContact CZ-CD1 4.15Å; F235-I284 HydrophobicContact CZ-CG1 4.47Å; F235-I284 HydrophobicContact CZ-CG2 4.4Å
236	F	95.2	Very high	95.4	Very high	30 Å²	30	50.4 Å²	50.4	13%	0.132	28%	0.276	C	S	.	.	H	α-helix	trans	-63.6	-44.2	174.9	-63.2	-50.8	0	0	0	111.6	W215 E216 F220 W229 L232 Q233 A238 L239 R240	W215-F236 HydrophobicContact CZ3-CE1 4.43Å; E216-F236 HydrophobicContact CG-CD1 4.47Å; E216-F236 HydrophobicContact CG-CE1 4.24Å; E216-F236 WeakPolarHBondContact OE1-CD1 3.24Å; E216-F236 WeakPolarHBondContact OE1-CG 3.38Å; F220-F236 HydrophobicContact CE2-CE1 4.39Å; F220-F236 HydrophobicContact CE2-CE2 4.07Å; F220-F236 AromaticContact CE2-CZ 3.53Å; F220-F236 HydrophobicContact CE2-CZ 3.53Å; F220-F236 HydrophobicContact CZ-CE2 4.15Å; F220-F236 AromaticContact CZ-CZ 3.61Å; F220-F236 HydrophobicContact CZ-CZ 3.61Å; W229-F236 AromaticContact CD1-CD2 3.75Å; W229-F236 AromaticContact CD1-CE2 3.24Å; W229-F236 HydrophobicContact CG-CD2 4.45Å; W229-F236 AromaticContact CG-CE2 4Å; W229-F236 HydrophobicContact CG-CE2 4Å; W229-F236 AromaticContact NE1-CD2 3.48Å; W229-F236 AromaticContact NE1-CE2 3.48Å; L232-F236 HydrophobicContact CB-CD2 4.19Å; L232-F236 HydrophobicContact CB-CE2 3.53Å; L232-F236 HydrophobicContact CB-CZ 3.94Å; L232-F236 HydrophobicContact CD1-CZ 4.26Å; L232-F236 PolarHBondContact O-N 3.02Å; L232-F236 VanDerWaalsContact O-N 3.16Å; Q233-F236 PolarHBondContact O-N 2.9Å; F236-A238 VanDerWaalsContact C-N 3.27Å; F236-A238 PolarHBondContact O-N 3.41Å; F236-L239 PolarHBondContact O-N 3.34Å; F236-R240 WeakPolarHBondContact O-CB 2.97Å; F236-R240 PolarHBondContact O-N 3.21Å
237	Y	92	Very high	95.2	Very high	60 Å²	60	52.6 Å²	52.6	24%	0.235	29%	0.285	C	S	.	.	H	α-helix	trans	-61.2	-34.5	175	-89.1	-90.8	0	0	0	113	D210 Q233 P241 F296	D210-Y237 WeakPolarHBondContact OD1-CE1 3.23Å; D210-Y237 PolarHBondContact OD1-OH 3.16Å; Q233-Y237 HydrophobicContact CG-CD2 3.81Å; Q233-Y237 HydrophobicContact CG-CE2 3.82Å; Q233-Y237 WeakPolarHBondContact O-CD2 3.3Å; Q233-Y237 PolarHBondContact O-N 3.32Å; Y237-P241 WeakPolarHBondContact O-CD 3.3Å; Y237-P241 WeakPolarHBondContact O-CG 3.12Å; Y237-F296 HydrophobicContact CD1-CE1 4.43Å; Y237-F296 AromaticContact CE1-CD1 3.89Å; Y237-F296 HydrophobicContact CE1-CD1 3.89Å; Y237-F296 HydrophobicContact CE1-CE1 4.05Å; Y237-F296 HydrophobicContact CE2-CB 4.16Å; Y237-F296 AromaticContact CE2-CD1 3.79Å; Y237-F296 HydrophobicContact CE2-CD1 3.79Å; Y237-F296 HydrophobicContact CE2-CE1 4.29Å; Y237-F296 AromaticContact CE2-CG 3.94Å; Y237-F296 HydrophobicContact CE2-CG 3.94Å; Y237-F296 AromaticContact CZ-CD1 3.41Å; Y237-F296 VanDerWaalsContact CZ-CD1 3.41Å; Y237-F296 AromaticContact CZ-CE1 3.98Å; Y237-F296 AromaticContact CZ-CG 3.97Å; Y237-F296 WeakPolarHBondContact OH-CD1 3.41Å
238	A	92.5	Very high	95.1	Very high	61 Å²	61	54.9 Å²	54.9	50%	0.504	30%	0.301	S	S	.	.	H	α-helix	trans	-79.1	-40	178.4	0	0	0	0	0	113.6	P234 F235 F236	P234-A238 WeakPolarHBondContact O-CB 3.29Å; P234-A238 PolarHBondContact O-N 3Å; P234-A238 VanDerWaalsContact O-N 3.12Å; F235-A238 PolarHBondContact O-N 3.01Å; F236-A238 VanDerWaalsContact C-N 3.27Å; F236-A238 PolarHBondContact O-N 3.41Å
239	L	94.9	Very high	95	Very high	100 Å²	100	56.7 Å²	56.7	52%	0.524	32%	0.315	S	S	.	.	H	α-helix	trans	-101.8	-35.7	-167.1	-60.5	176.9	0	0	0	113.6	F235 F236 P241 L242	F235-L239 HydrophobicContact CB-CD1 4.39Å; F235-L239 VanDerWaalsContact O-CB 3.24Å; F235-L239 WeakPolarHBondContact O-CB 3.28Å; F235-L239 VanDerWaalsContact O-CG 3.3Å; F235-L239 WeakPolarHBondContact O-CG 3.48Å; F235-L239 PolarHBondContact O-N 3.33Å; F236-L239 PolarHBondContact O-N 3.34Å; L239-P241 VanDerWaalsContact C-CD 3.43Å; L239-P241 VanDerWaalsContact C-N 3.32Å; L239-L242 HydrophobicContact CD2-CD1 4.43Å; L239-L242 WeakPolarHBondContact O-CB 3.28Å; L239-L242 PolarHBondContact O-N 3.19Å
240	R	96.5	Very high	95	Very high	12 Å²	12	57.4 Å²	57.4	5%	0.045	32%	0.323	C	S	.	.	H	α-helix	trans	-55.1	-42.6	-179	-168	-167.8	-53.5	136.9	-5.4	112.4	V209 D210 I211 T213 E216 F236 L242 V243 V244	V209-R240 WeakPolarHBondContact O-CD 3.23Å; V209-R240 PolarHBondContact O-NH1 3.39Å; V209-R240 VanDerWaalsContact O-NH1 3.13Å; D210-R240 VanDerWaalsContact C-NH1 3.35Å; D210-R240 PolarHBondContact O-NH1 3.2Å; I211-R240 WeakPolarHBondContact O-CD 3.44Å; I211-R240 PolarHBondContact O-NH1 3.35Å; T213-R240 HydrophobicContact CG2-CG 4.08Å; E216-R240 IonicContact OE1-CZ 3.23Å; E216-R240 IonicContact OE1-NE 3.68Å; E216-R240 PolarHBondContact OE1-NE 3.38Å; E216-R240 IonicContact OE1-NH2 2.97Å; E216-R240 PolarHBondContact OE1-NH2 3.14Å; E216-R240 IonicContact OE2-CZ 2.71Å; E216-R240 IonicContact OE2-NE 3.65Å; E216-R240 PolarHBondContact OE2-NE 2.84Å; E216-R240 IonicContact OE2-NH2 2.64Å; F236-R240 WeakPolarHBondContact O-CB 2.97Å; F236-R240 PolarHBondContact O-N 3.21Å; R240-L242 PolarHBondContact O-N 3.27Å; R240-V243 PolarHBondContact O-N 3.49Å; R240-V244 HydrophobicContact CG-CG2 3.65Å; R240-V244 PolarHBondContact O-N 3.31Å
241	P	96.4	Very high	95	Very high	10 Å²	10	61.8 Å²	61.8	7%	0.065	35%	0.351	C	S	.	.	H	α-helix	trans	-58.1	-33	177.4	-25.7	35.9	0	0	0	113.8	Y194 V209 Y237 L239 V243 N245	Y194-P241 HydrophobicContact CD1-CB 4.04Å; Y194-P241 HydrophobicContact CD2-CB 4.03Å; Y194-P241 HydrophobicContact CE1-CB 3.75Å; Y194-P241 HydrophobicContact CE2-CB 3.75Å; Y194-P241 HydrophobicContact CG-CB 4.17Å; V209-P241 HydrophobicContact CB-CB 4.06Å; V209-P241 HydrophobicContact CB-CG 4.02Å; V209-P241 HydrophobicContact CG1-CB 4.21Å; V209-P241 HydrophobicContact CG2-CB 3.89Å; V209-P241 HydrophobicContact CG2-CG 3.73Å; Y237-P241 WeakPolarHBondContact O-CD 3.3Å; Y237-P241 WeakPolarHBondContact O-CG 3.12Å; L239-P241 VanDerWaalsContact C-CD 3.43Å; L239-P241 VanDerWaalsContact C-N 3.32Å; P241-V243 PolarHBondContact O-N 3.08Å; P241-N245 CarbonylContact O-C 3.29Å; P241-N245 PolarHBondContact O-N 2.88Å; P241-N245 VanDerWaalsContact O-N 3.14Å
242	L	94.6	Very high	95	Very high	106 Å²	106	59.1 Å²	59.1	56%	0.555	34%	0.341	S	S	*	.	H	α-helix	trans	-73.7	-17.1	-179.3	-52.6	-179.1	0	0	0	113.1	L239 R240	L239-L242 HydrophobicContact CD2-CD1 4.43Å; L239-L242 WeakPolarHBondContact O-CB 3.28Å; L239-L242 PolarHBondContact O-N 3.19Å; R240-L242 PolarHBondContact O-N 3.27Å
243	V	95.2	Very high	95.1	Very high	121 Å²	121	57.5 Å²	57.5	73%	0.733	33%	0.332	S	S	*	.	H	α-helix	trans	-103.1	-41	179.8	-178.9	0	0	0	0	110.9	R240 P241	R240-V243 PolarHBondContact O-N 3.49Å; P241-V243 PolarHBondContact O-N 3.08Å
244	V	95.6	Very high	95.3	Very high	38 Å²	38	62.2 Å²	62.2	23%	0.23	36%	0.356	C	S	.	.	H	α-helix	trans	-82.5	-44.9	-173.7	174.8	0	0	0	0	112.1	Q206 V209 T213 R240	Q206-V244 HydrophobicContact CB-CG1 4.42Å; V209-V244 HydrophobicContact CG1-CB 4.33Å; V209-V244 HydrophobicContact CG1-CG1 4.29Å; T213-V244 HydrophobicContact CG2-CG2 3.77Å; R240-V244 HydrophobicContact CG-CG2 3.65Å; R240-V244 PolarHBondContact O-N 3.31Å
245	N	96.3	Very high	95.5	Very high	39 Å²	39	64.6 Å²	64.6	21%	0.209	37%	0.365	C	S	.	.	S	Bend	trans	-144.1	65.2	-177.3	-168.8	5.6	0	0	0	110.9	Y194 Q206 V209 P241 K247	Y194-N245 VanDerWaalsContact CE1-O 3.31Å; Y194-N245 WeakPolarHBondContact CE1-O 3.41Å; Y194-N245 PolarHBondContact OH-O 3.24Å; Q206-N245 VanDerWaalsContact O-CB 3.27Å; Q206-N245 WeakPolarHBondContact O-CB 3.43Å; Q206-N245 PolarHBondContact O-ND2 3.18Å; V209-N245 HydrophobicContact CG1-CB 3.57Å; P241-N245 CarbonylContact O-C 3.29Å; P241-N245 PolarHBondContact O-N 2.88Å; P241-N245 VanDerWaalsContact O-N 3.14Å; N245-K247 PolarHBondContact O-N 2.84Å
246	P	95.9	Very high	95.7	Very high	88 Å²	88	60.7 Å²	60.7	57%	0.571	35%	0.348	S	S	*	.			trans	-60.9	114.1	-174.8	23.2	-32.6	0	0	0	111.4
247	K	94	Very high	95.8	Very high	53 Å²	53	61.9 Å²	61.9	23%	0.23	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-91.3	147.9	175.1	-65.4	-173.2	179.1	-158.3	0	111.9	K193 Y194 D197 N245 V249	K193-K247 HydrophobicContact CB-CD 4.17Å; K193-K247 HydrophobicContact CD-CD 4.48Å; K193-K247 PolarHBondContact O-NZ 3.45Å; Y194-K247 HydrophobicContact CD1-CD 4.09Å; Y194-K247 HydrophobicContact CE1-CB 4.43Å; Y194-K247 HydrophobicContact CE1-CD 3.67Å; Y194-K247 HydrophobicContact CE1-CG 3.71Å; Y194-K247 PolarHBondContact OH-N 3.33Å; Y194-K247 VanDerWaalsContact OH-N 3.13Å; D197-K247 IonicContact OD1-NZ 2.92Å; D197-K247 PolarHBondContact OD1-NZ 3.45Å; D197-K247 VanDerWaalsContact OD1-NZ 3.13Å; D197-K247 WeakPolarHBondContact OD2-CE 3.4Å; D197-K247 IonicContact OD2-NZ 3.62Å; D197-K247 PolarHBondContact OD2-NZ 3.33Å; N245-K247 PolarHBondContact O-N 2.84Å; K247-V249 PolarHBondContact O-N 3.5Å
248	P	94.8	Very high	96.2	Very high	110 Å²	110	62.6 Å²	62.6	71%	0.714	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-62.6	138.2	175.8	25.8	-34.1	0	0	0	111.5	K193 G250	K193-P248 PolarHBondContact NZ-O 3.46Å; P248-G250 PolarHBondContact O-N 3.48Å
249	V	95.6	Very high	96.5	Very high	115 Å²	115	62.1 Å²	62.1	70%	0.697	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-67.3	121.3	171.8	-179.6	0	0	0	0	108.3	K247 E253 I254	K247-V249 PolarHBondContact O-N 3.5Å; V249-E253 HydrophobicContact CG1-CB 3.91Å; V249-I254 HydrophobicContact CG1-CG1 3.97Å
250	G	95.4	Very high	96.6	Very high	16 Å²	16	57.3 Å²	57.3	17%	0.165	33%	0.334	C	S	.	.			trans	-107.1	-180	179.9	0	0	0	0	0	112.5	P248 M252 E253 I254	P248-G250 PolarHBondContact O-N 3.48Å; G250-M252 PolarHBondContact O-N 2.99Å; G250-E253 WeakPolarHBondContact CA-OE2 3.23Å; G250-E253 PolarHBondContact N-OE2 3.45Å; G250-E253 PolarHBondContact O-N 3.25Å; G250-I254 PolarHBondContact O-N 2.98Å
251	P	96.4	Very high	96.7	Very high	98 Å²	98	61.7 Å²	61.7	64%	0.636	36%	0.358	S	S	*	.	H	α-helix	trans	-59	-32.5	179.5	-26.2	35.1	0	0	0	113.9	Q255	P251-Q255 WeakPolarHBondContact O-CB 3.45Å; P251-Q255 WeakPolarHBondContact O-CG 3.38Å; P251-Q255 PolarHBondContact O-N 3.27Å
252	M	96	Very high	96.9	Very high	33 Å²	33	66.1 Å²	66.1	16%	0.163	38%	0.381	C	S	.	.	H	α-helix	trans	-72	-36.3	-179.3	-74.5	-75.3	168.3	0	0	112.2	K170 R173 M177 A189 G250 Q255 N256	K170-M252 HydrophobicContact CG-CE 4.39Å; R173-M252 HydrophobicContact CB-CE 4.32Å; R173-M252 HydrophobicContact CB-SD 3.93Å; R173-M252 HydrophobicContact CG-SD 4.39Å; M177-M252 HydrophobicContact CE-CB 4.43Å; M177-M252 WeakPolarHBondContact CE-O 3.45Å; M177-M252 HydrophobicContact CE-SD 3.74Å; A189-M252 HydrophobicContact CB-CB 4.18Å; G250-M252 PolarHBondContact O-N 2.99Å; M252-Q255 PolarHBondContact O-N 2.92Å; M252-N256 WeakPolarHBondContact O-CB 3.45Å; M252-N256 PolarHBondContact O-N 3.23Å
253	E	97.4	Very high	97	Very high	15 Å²	15	61.9 Å²	61.9	7%	0.07	36%	0.361	C	S	.	.	H	α-helix	trans	-67.5	-41.1	174.5	-69.8	72.7	-162.1	0	0	111.4	A189 S190 K193 V249 G250 N256 T257	A189-E253 HydrophobicContact CB-CG 4.08Å; S190-E253 WeakPolarHBondContact OG-CG 3.37Å; K193-E253 WeakPolarHBondContact CD-OE1 3.21Å; K193-E253 WeakPolarHBondContact CE-OE1 3.01Å; K193-E253 IonicContact NZ-OE1 2.92Å; K193-E253 PolarHBondContact NZ-OE1 3.4Å; K193-E253 IonicContact NZ-OE2 3.1Å; K193-E253 PolarHBondContact NZ-OE2 2.92Å; V249-E253 HydrophobicContact CG1-CB 3.91Å; G250-E253 WeakPolarHBondContact CA-OE2 3.23Å; G250-E253 PolarHBondContact N-OE2 3.45Å; G250-E253 PolarHBondContact O-N 3.25Å; E253-N256 PolarHBondContact O-N 2.91Å; E253-T257 WeakPolarHBondContact O-CB 3.45Å; E253-T257 PolarHBondContact O-N 3.21Å; E253-T257 PolarHBondContact O-OG1 3.48Å
254	I	98.2	Very high	97.2	Very high	99 Å²	99	57.1 Å²	57.1	51%	0.508	33%	0.331	S	S	.	.	H	α-helix	trans	-61.7	-47.1	174.7	-62.6	169.5	0	0	0	109.9	V249 G250 T257 V258	V249-I254 HydrophobicContact CG1-CG1 3.97Å; G250-I254 PolarHBondContact O-N 2.98Å; I254-T257 PolarHBondContact O-N 3.37Å; I254-V258 HydrophobicContact CG2-CG2 4.43Å; I254-V258 WeakPolarHBondContact O-CG2 3.49Å; I254-V258 PolarHBondContact O-N 3.4Å
255	Q	98.3	Very high	97.4	Very high	68 Å²	68	57.9 Å²	57.9	32%	0.318	34%	0.342	S	S	.	.	H	α-helix	trans	-60.5	-46.6	177.1	-76.1	168.6	-6	0	0	112.2	W174 M177 P251 M252 T257 V258 V259	W174-Q255 HydrophobicContact CH2-CB 4.09Å; W174-Q255 HydrophobicContact CH2-CG 3.96Å; W174-Q255 HydrophobicContact CZ3-CB 4.22Å; M177-Q255 HydrophobicContact CE-CB 3.91Å; M177-Q255 HydrophobicContact SD-CB 4.23Å; P251-Q255 WeakPolarHBondContact O-CB 3.45Å; P251-Q255 WeakPolarHBondContact O-CG 3.38Å; P251-Q255 PolarHBondContact O-N 3.27Å; M252-Q255 PolarHBondContact O-N 2.92Å; Q255-T257 VanDerWaalsContact C-N 3.29Å; Q255-T257 PolarHBondContact O-N 3.12Å; Q255-V258 PolarHBondContact O-N 2.74Å; Q255-V259 WeakPolarHBondContact O-CB 3.46Å; Q255-V259 VanDerWaalsContact O-CG2 3.29Å; Q255-V259 WeakPolarHBondContact O-CG2 3.24Å; Q255-V259 PolarHBondContact O-N 3.48Å
256	N	98.4	Very high	97.5	Very high	2 Å²	2	60.8 Å²	60.8	1%	0.011	36%	0.356	C	S	.	.	H	α-helix	trans	-60	-42.3	176.8	-169.7	173.2	0	0	0	111	M177 P186 S188 A189 M252 E253 Q260	M177-N256 HydrophobicContact CE-CB 4.07Å; M177-N256 HydrophobicContact CG-CB 3.99Å; M177-N256 HydrophobicContact SD-CB 4.1Å; P186-N256 HydrophobicContact CB-CB 4.45Å; S188-N256 PolarHBondContact N-OD1 2.91Å; S188-N256 VanDerWaalsContact N-OD1 3.09Å; S188-N256 PolarHBondContact OG-OD1 3.48Å; A189-N256 HydrophobicContact CB-CB 3.96Å; A189-N256 PolarHBondContact N-OD1 2.95Å; A189-N256 VanDerWaalsContact N-OD1 3.1Å; M252-N256 WeakPolarHBondContact O-CB 3.45Å; M252-N256 PolarHBondContact O-N 3.23Å; E253-N256 PolarHBondContact O-N 2.91Å; N256-Q260 VanDerWaalsContact O-CB 3.29Å; N256-Q260 WeakPolarHBondContact O-CB 3.45Å; N256-Q260 PolarHBondContact O-N 3.31Å
257	T	98.5	Very high	97.6	Very high	55 Å²	55	57 Å²	57	34%	0.337	33%	0.331	S	S	.	.	H	α-helix	trans	-61.9	-51	178.4	-57.9	0	0	0	0	111.4	P186 E253 I254 Q255 V259 Q260 L261	P186-T257 HydrophobicContact CG-CG2 4.25Å; E253-T257 WeakPolarHBondContact O-CB 3.45Å; E253-T257 PolarHBondContact O-N 3.21Å; E253-T257 PolarHBondContact O-OG1 3.48Å; I254-T257 PolarHBondContact O-N 3.37Å; Q255-T257 VanDerWaalsContact C-N 3.29Å; Q255-T257 PolarHBondContact O-N 3.12Å; T257-V259 PolarHBondContact O-N 2.8Å; T257-Q260 PolarHBondContact O-N 3.06Å; T257-L261 HydrophobicContact CG2-CD1 3.84Å; T257-L261 HydrophobicContact CG2-CG 4.33Å; T257-L261 WeakPolarHBondContact O-CB 3.18Å; T257-L261 VanDerWaalsContact O-CG 3.28Å; T257-L261 WeakPolarHBondContact O-CG 3.2Å; T257-L261 PolarHBondContact O-N 3.35Å
258	V	98.6	Very high	97.8	Very high	75 Å²	75	60.8 Å²	60.8	46%	0.455	35%	0.345	S	S	.	.	H	α-helix	trans	-61	-47.4	179.2	171.6	0	0	0	0	111	I254 Q255 Q260 L261 L262	I254-V258 HydrophobicContact CG2-CG2 4.43Å; I254-V258 WeakPolarHBondContact O-CG2 3.49Å; I254-V258 PolarHBondContact O-N 3.4Å; Q255-V258 PolarHBondContact O-N 2.74Å; V258-Q260 PolarHBondContact O-N 2.89Å; V258-L261 PolarHBondContact O-N 3.3Å; V258-L262 HydrophobicContact CG1-CD1 3.79Å; V258-L262 HydrophobicContact CG1-CG 4.35Å; V258-L262 WeakPolarHBondContact O-CB 3.16Å; V258-L262 VanDerWaalsContact O-CG 3.22Å; V258-L262 WeakPolarHBondContact O-CG 3.34Å; V258-L262 PolarHBondContact O-N 3.25Å
259	V	98.6	Very high	98	Very high	51 Å²	51	64.3 Å²	64.3	31%	0.309	35%	0.345	S	S	.	.	H	α-helix	trans	-61.8	-43.7	179.8	168.8	0	0	0	0	111.5	L181 Q255 T257 A263	L181-V259 HydrophobicContact CD2-CG1 3.85Å; Q255-V259 WeakPolarHBondContact O-CB 3.46Å; Q255-V259 VanDerWaalsContact O-CG2 3.29Å; Q255-V259 WeakPolarHBondContact O-CG2 3.24Å; Q255-V259 PolarHBondContact O-N 3.48Å; T257-V259 PolarHBondContact O-N 2.8Å; V259-A263 WeakPolarHBondContact O-CB 2.85Å; V259-A263 PolarHBondContact O-N 3.48Å
260	Q	98.8	Very high	98.1	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-64.4	-50.7	178.5	-173.8	64.9	52	0	0	111.4	N180 L181 P186 N256 T257 V258 L262 A263 D264	N180-Q260 PolarHBondContact ND2-OE1 3.26Å; N180-Q260 PolarHBondContact O-OE1 3.35Å; L181-Q260 PolarHBondContact O-NE2 3Å; P186-Q260 HydrophobicContact CB-CB 3.82Å; P186-Q260 HydrophobicContact CB-CG 4.27Å; P186-Q260 HydrophobicContact CG-CB 4.44Å; N256-Q260 VanDerWaalsContact O-CB 3.29Å; N256-Q260 WeakPolarHBondContact O-CB 3.45Å; N256-Q260 PolarHBondContact O-N 3.31Å; T257-Q260 PolarHBondContact O-N 3.06Å; V258-Q260 PolarHBondContact O-N 2.89Å; Q260-L262 VanDerWaalsContact C-N 3.27Å; Q260-L262 PolarHBondContact O-N 2.98Å; Q260-A263 PolarHBondContact O-N 2.65Å; Q260-A263 VanDerWaalsContact O-N 3.08Å; Q260-D264 PolarHBondContact NE2-OD1 3.47Å; Q260-D264 PolarHBondContact NE2-OD2 2.61Å; Q260-D264 VanDerWaalsContact O-CG 3.24Å; Q260-D264 PolarHBondContact O-N 2.83Å
261	L	98.6	Very high	98.3	Very high	104 Å²	104	68.2 Å²	68.2	55%	0.545	35%	0.346	S	S	.	.	H	α-helix	trans	-62.3	-35.5	-179	-68.3	178.4	0	0	0	112.2	T257 V258 A265	T257-L261 HydrophobicContact CG2-CD1 3.84Å; T257-L261 HydrophobicContact CG2-CG 4.33Å; T257-L261 WeakPolarHBondContact O-CB 3.18Å; T257-L261 VanDerWaalsContact O-CG 3.28Å; T257-L261 WeakPolarHBondContact O-CG 3.2Å; T257-L261 PolarHBondContact O-N 3.35Å; V258-L261 PolarHBondContact O-N 3.3Å; L261-A265 VanDerWaalsContact O-CB 3.23Å; L261-A265 WeakPolarHBondContact O-CB 3.39Å; L261-A265 PolarHBondContact O-N 3.45Å
262	L	98.7	Very high	98.4	Very high	103 Å²	103	64.8 Å²	64.8	54%	0.539	33%	0.329	S	S	.	.	H	α-helix	trans	-66.4	-43.9	173.2	-73.2	173.6	0	0	0	111.7	V258 Q260 A265 I266	V258-L262 HydrophobicContact CG1-CD1 3.79Å; V258-L262 HydrophobicContact CG1-CG 4.35Å; V258-L262 WeakPolarHBondContact O-CB 3.16Å; V258-L262 VanDerWaalsContact O-CG 3.22Å; V258-L262 WeakPolarHBondContact O-CG 3.34Å; V258-L262 PolarHBondContact O-N 3.25Å; Q260-L262 VanDerWaalsContact C-N 3.27Å; Q260-L262 PolarHBondContact O-N 2.98Å; L262-A265 PolarHBondContact O-N 3.4Å; L262-I266 WeakPolarHBondContact O-CB 3.46Å; L262-I266 WeakPolarHBondContact O-CD1 3.31Å; L262-I266 WeakPolarHBondContact O-CG1 3.33Å; L262-I266 PolarHBondContact O-N 2.82Å
263	A	98.6	Very high	98.5	Very high	17 Å²	17	67.7 Å²	67.7	14%	0.14	35%	0.345	C	S	.	.	H	α-helix	trans	-62.9	-45	176.9	0	0	0	0	0	111.6	L181 V259 Q260 A265 I266 I267	L181-A263 HydrophobicContact CD1-CB 4.45Å; L181-A263 HydrophobicContact CD2-CB 3.72Å; L181-A263 HydrophobicContact CG-CB 4.5Å; V259-A263 WeakPolarHBondContact O-CB 2.85Å; V259-A263 PolarHBondContact O-N 3.48Å; Q260-A263 PolarHBondContact O-N 2.65Å; Q260-A263 VanDerWaalsContact O-N 3.08Å; A263-A265 PolarHBondContact O-N 2.96Å; A263-I266 PolarHBondContact O-N 2.87Å; A263-I267 WeakPolarHBondContact O-CG1 3.35Å; A263-I267 PolarHBondContact O-N 3.29Å
264	D	98.7	Very high	98.5	Very high	21 Å²	21	69.4 Å²	69.4	11%	0.112	35%	0.352	C	S	.	.	H	α-helix	trans	-62.1	-43.4	176.3	-62.3	-23.2	0	0	0	110.9	Q260 I266 I267 Y268 I276	Q260-D264 PolarHBondContact NE2-OD1 3.47Å; Q260-D264 PolarHBondContact NE2-OD2 2.61Å; Q260-D264 VanDerWaalsContact O-CG 3.24Å; Q260-D264 PolarHBondContact O-N 2.83Å; D264-I266 VanDerWaalsContact C-N 3.34Å; D264-I266 PolarHBondContact O-N 3.13Å; D264-I267 PolarHBondContact O-N 3.16Å; D264-Y268 VanDerWaalsContact O-CB 3.28Å; D264-Y268 WeakPolarHBondContact O-CB 3.42Å; D264-Y268 PolarHBondContact O-N 3.4Å; D264-I276 HydrophobicContact CB-CD1 4.07Å; D264-I276 WeakPolarHBondContact O-CD1 3.34Å
265	A	98.8	Very high	98.5	Very high	54 Å²	54	64.7 Å²	64.7	45%	0.446	33%	0.328	S	S	.	.	H	α-helix	trans	-62.2	-39.8	176	0	0	0	0	0	112.4	L261 L262 A263 Y269	L261-A265 VanDerWaalsContact O-CB 3.23Å; L261-A265 WeakPolarHBondContact O-CB 3.39Å; L261-A265 PolarHBondContact O-N 3.45Å; L262-A265 PolarHBondContact O-N 3.4Å; A263-A265 PolarHBondContact O-N 2.96Å; A265-Y269 VanDerWaalsContact O-CB 3.23Å; A265-Y269 WeakPolarHBondContact O-CB 3.42Å; A265-Y269 PolarHBondContact O-N 3.17Å
266	I	98.7	Very high	98.6	Very high	99 Å²	99	62.6 Å²	62.6	51%	0.508	32%	0.319	S	S	.	.	H	α-helix	trans	-63.8	-49.6	175.5	-71.8	164.7	0	0	0	110.3	L262 A263 D264 Y268 Y269 F270	L262-I266 WeakPolarHBondContact O-CB 3.46Å; L262-I266 WeakPolarHBondContact O-CD1 3.31Å; L262-I266 WeakPolarHBondContact O-CG1 3.33Å; L262-I266 PolarHBondContact O-N 2.82Å; A263-I266 PolarHBondContact O-N 2.87Å; D264-I266 VanDerWaalsContact C-N 3.34Å; D264-I266 PolarHBondContact O-N 3.13Å; I266-Y268 VanDerWaalsContact C-N 3.32Å; I266-Y268 PolarHBondContact O-N 3.23Å; I266-Y269 PolarHBondContact O-N 3Å; I266-F270 HydrophobicContact CG2-CD2 3.88Å; I266-F270 HydrophobicContact CG2-CE2 4Å; I266-F270 VanDerWaalsContact O-CD2 3.26Å; I266-F270 WeakPolarHBondContact O-CD2 3.41Å; I266-F270 PolarHBondContact O-N 3.23Å; I266-F270 VanDerWaalsContact O-N 3.09Å
267	I	98.6	Very high	98.6	Very high	8 Å²	8	64.2 Å²	64.2	4%	0.041	33%	0.328	C	S	.	.	H	α-helix	trans	-58.8	-45.7	178.2	-70.2	170.5	0	0	0	110.4	L122 A263 D264 F270 W271 P275 I276 L279	L122-I267 HydrophobicContact CD2-CD1 3.99Å; L122-I267 HydrophobicContact CD2-CG1 4.49Å; A263-I267 WeakPolarHBondContact O-CG1 3.35Å; A263-I267 PolarHBondContact O-N 3.29Å; D264-I267 PolarHBondContact O-N 3.16Å; I267-F270 PolarHBondContact O-N 3.12Å; I267-W271 HydrophobicContact CG1-CZ3 4.3Å; I267-W271 HydrophobicContact CG2-CE3 4.06Å; I267-W271 PolarHBondContact O-N 3.01Å; I267-P275 HydrophobicContact CG2-CB 3.75Å; I267-I276 HydrophobicContact CB-CD1 3.92Å; I267-I276 HydrophobicContact CG2-CD1 3.62Å; I267-I276 HydrophobicContact CG2-CG1 4.42Å; I267-L279 HydrophobicContact CD1-CD1 4.05Å
268	Y	98.7	Very high	98.6	Very high	134 Å²	134	61.7 Å²	61.7	53%	0.525	31%	0.313	S	S	.	.	H	α-helix	trans	-62.8	-43.2	177.4	178.6	-95.6	0	0	0	112.3	D264 I266 F270 G272 L273 I276	D264-Y268 VanDerWaalsContact O-CB 3.28Å; D264-Y268 WeakPolarHBondContact O-CB 3.42Å; D264-Y268 PolarHBondContact O-N 3.4Å; I266-Y268 VanDerWaalsContact C-N 3.32Å; I266-Y268 PolarHBondContact O-N 3.23Å; Y268-F270 PolarHBondContact O-N 3.12Å; Y268-G272 WeakPolarHBondContact O-CA 3.11Å; Y268-G272 PolarHBondContact O-N 3.33Å; Y268-L273 HydrophobicContact CD2-CB 4.48Å; Y268-L273 HydrophobicContact CE2-CB 4.05Å; Y268-L273 HydrophobicContact CE2-CD1 4.39Å; Y268-I276 HydrophobicContact CD2-CG1 4.43Å
269	Y	98.6	Very high	98.6	Very high	184 Å²	184	58.1 Å²	58.1	72%	0.722	29%	0.291	S	S	*	.	H	α-helix	trans	-61.5	-42.7	179.7	176.9	-97	0	0	0	112.1	A265 I266	A265-Y269 VanDerWaalsContact O-CB 3.23Å; A265-Y269 WeakPolarHBondContact O-CB 3.42Å; A265-Y269 PolarHBondContact O-N 3.17Å; I266-Y269 PolarHBondContact O-N 3Å
270	F	98.1	Very high	98.5	Very high	137 Å²	137	58 Å²	58	60%	0.601	29%	0.288	S	S	*	.	H	α-helix	trans	-82.9	-34.3	-177.6	-75.9	-71.4	0	0	0	114.1	I266 I267 Y268	I266-F270 HydrophobicContact CG2-CD2 3.88Å; I266-F270 HydrophobicContact CG2-CE2 4Å; I266-F270 VanDerWaalsContact O-CD2 3.26Å; I266-F270 WeakPolarHBondContact O-CD2 3.41Å; I266-F270 PolarHBondContact O-N 3.23Å; I266-F270 VanDerWaalsContact O-N 3.09Å; I267-F270 PolarHBondContact O-N 3.12Å; Y268-F270 PolarHBondContact O-N 3.12Å
271	W	98.4	Very high	98.5	Very high	75 Å²	75	58.6 Å²	58.6	28%	0.284	29%	0.293	S	S	.	.	H	α-helix	trans	-130.9	4.3	-168.6	-57.1	-44.3	0	0	0	114.5	C125 Y126 H129 I267 P275	C125-W271 HydrophobicContact CB-CE3 3.89Å; C125-W271 HydrophobicContact CB-CZ3 3.86Å; Y126-W271 AromaticContact CD2-CD1 3.99Å; Y126-W271 AromaticContact CD2-CE2 3.98Å; Y126-W271 HydrophobicContact CD2-CZ2 4.41Å; Y126-W271 AromaticContact CD2-NE1 3.44Å; H129-W271 HydrophobicContact CB-CB 3.83Å; H129-W271 HydrophobicContact CB-CG 4.49Å; H129-W271 WeakPolarHBondContact CB-O 3.5Å; H129-W271 AromaticContact CD2-CD1 3.65Å; I267-W271 HydrophobicContact CG1-CZ3 4.3Å; I267-W271 HydrophobicContact CG2-CE3 4.06Å; I267-W271 PolarHBondContact O-N 3.01Å; W271-P275 HydrophobicContact CB-CG 3.71Å; W271-P275 WeakPolarHBondContact O-CD 3.32Å
272	G	98.3	Very high	98.4	Very high	27 Å²	27	53.7 Å²	53.7	28%	0.278	27%	0.267	S	S	.	.			trans	75	-160.4	175.1	0	0	0	0	0	114.5	Y268 P275	Y268-G272 WeakPolarHBondContact O-CA 3.11Å; Y268-G272 PolarHBondContact O-N 3.33Å; G272-P275 WeakPolarHBondContact O-CD 3.46Å
273	L	98.4	Very high	98.2	Very high	93 Å²	93	49.1 Å²	49.1	49%	0.487	24%	0.244	S	C	.	.	H	α-helix	trans	-74.2	-32.6	-170.1	-176.4	59	0	0	0	114.4	W133 Y268 I276 V277	W133-L273 HydrophobicContact CH2-CD2 4.4Å; W133-L273 HydrophobicContact CH2-CG 4.4Å; Y268-L273 HydrophobicContact CD2-CB 4.48Å; Y268-L273 HydrophobicContact CE2-CB 4.05Å; Y268-L273 HydrophobicContact CE2-CD1 4.39Å; L273-I276 WeakPolarHBondContact O-CB 3.4Å; L273-I276 PolarHBondContact O-N 3.19Å; L273-I276 VanDerWaalsContact O-N 3.16Å; L273-V277 HydrophobicContact CD1-CG2 4.09Å; L273-V277 HydrophobicContact CG-CG2 3.96Å; L273-V277 PolarHBondContact O-N 3.14Å
274	K	98.7	Very high	98	Very high	51 Å²	51	50.4 Å²	50.4	22%	0.222	25%	0.248	C	C	.	.	H	α-helix	trans	-60.8	-42.2	-170.6	-69.8	173	-172.4	167.9	0	113.4	H129 L131 W133 V136 I276 V277 Y278	H129-K274 WeakPolarHBondContact O-CD 3.46Å; H129-K274 PolarHBondContact O-NZ 2.98Å; L131-K274 WeakPolarHBondContact O-CD 3.26Å; L131-K274 VanDerWaalsContact O-CE 3.29Å; L131-K274 WeakPolarHBondContact O-CE 3.46Å; L131-K274 PolarHBondContact O-NZ 2.86Å; W133-K274 HydrophobicContact CE3-CG 4.36Å; W133-K274 HydrophobicContact CH2-CG 3.77Å; W133-K274 HydrophobicContact CZ2-CG 3.96Å; W133-K274 HydrophobicContact CZ3-CG 3.98Å; V136-K274 HydrophobicContact CG2-CB 4.2Å; V136-K274 HydrophobicContact CG2-CD 4.17Å; V136-K274 HydrophobicContact CG2-CG 4.29Å; K274-I276 PolarHBondContact O-N 3.49Å; K274-V277 PolarHBondContact O-N 3.09Å; K274-Y278 WeakPolarHBondContact O-CB 3.32Å; K274-Y278 PolarHBondContact O-N 2.74Å
275	P	98.5	Very high	97.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.8	-35.9	175.6	-25	37.9	0	0	0	113.6	C125 V128 H129 I267 W271 G272 Y278 L279	C125-P275 HydrophobicContact CB-CB 3.78Å; C125-P275 VanDerWaalsContact O-CG 3.22Å; C125-P275 WeakPolarHBondContact O-CG 3.47Å; V128-P275 HydrophobicContact CG2-CB 4.23Å; V128-P275 HydrophobicContact CG2-CG 4.12Å; H129-P275 HydrophobicContact CB-CG 3.88Å; I267-P275 HydrophobicContact CG2-CB 3.75Å; W271-P275 HydrophobicContact CB-CG 3.71Å; W271-P275 WeakPolarHBondContact O-CD 3.32Å; G272-P275 WeakPolarHBondContact O-CD 3.46Å; P275-Y278 WeakPolarHBondContact O-CB 3.48Å; P275-Y278 PolarHBondContact O-N 3.38Å; P275-L279 WeakPolarHBondContact O-CG 3.3Å; P275-L279 PolarHBondContact O-N 3.38Å
276	I	98.6	Very high	97.7	Very high	25 Å²	25	49.1 Å²	49.1	13%	0.128	23%	0.233	C	C	.	.	H	α-helix	trans	-62	-47.8	173.8	-60	-52.5	0	0	0	110.7	D264 I267 Y268 L273 K274 Y278 L279 I280	D264-I276 HydrophobicContact CB-CD1 4.07Å; D264-I276 WeakPolarHBondContact O-CD1 3.34Å; I267-I276 HydrophobicContact CB-CD1 3.92Å; I267-I276 HydrophobicContact CG2-CD1 3.62Å; I267-I276 HydrophobicContact CG2-CG1 4.42Å; Y268-I276 HydrophobicContact CD2-CG1 4.43Å; L273-I276 WeakPolarHBondContact O-CB 3.4Å; L273-I276 PolarHBondContact O-N 3.19Å; L273-I276 VanDerWaalsContact O-N 3.16Å; K274-I276 PolarHBondContact O-N 3.49Å; I276-Y278 VanDerWaalsContact C-N 3.3Å; I276-Y278 PolarHBondContact O-N 3.03Å; I276-L279 PolarHBondContact O-N 3.43Å; I276-I280 HydrophobicContact CG2-CD1 3.85Å; I276-I280 WeakPolarHBondContact O-CG1 3.27Å; I276-I280 PolarHBondContact O-N 2.64Å
277	V	98.5	Very high	97.4	Very high	36 Å²	36	45.5 Å²	45.5	22%	0.218	22%	0.215	C	C	.	.	H	α-helix	trans	-62.4	-40.1	176.1	175.4	0	0	0	0	110.9	W133 F137 L273 K274 L279 A281	W133-V277 HydrophobicContact CH2-CB 4.45Å; W133-V277 HydrophobicContact CH2-CG2 4.09Å; W133-V277 HydrophobicContact CZ3-CB 3.93Å; W133-V277 HydrophobicContact CZ3-CG1 3.85Å; W133-V277 HydrophobicContact CZ3-CG2 4.03Å; F137-V277 HydrophobicContact CE1-CG1 4.2Å; F137-V277 HydrophobicContact CZ-CG1 4.03Å; L273-V277 HydrophobicContact CD1-CG2 4.09Å; L273-V277 HydrophobicContact CG-CG2 3.96Å; L273-V277 PolarHBondContact O-N 3.14Å; K274-V277 PolarHBondContact O-N 3.09Å; V277-L279 PolarHBondContact O-N 3.48Å; V277-A281 HydrophobicContact CG1-CB 4.44Å; V277-A281 WeakPolarHBondContact O-CA 3.34Å; V277-A281 WeakPolarHBondContact O-CB 3.48Å; V277-A281 PolarHBondContact O-N 3.48Å
278	Y	98.8	Very high	97.1	Very high	1 Å²	1	45.1 Å²	45.1	0%	0.004	21%	0.213	C	C	.	.	H	α-helix	trans	-57.2	-48.3	176.1	165.8	-99.7	0	0	0	112.5	Q121 A124 V128 W139 A140 F143 G144 K274 P275 I276 G282	Q121-Y278 PolarHBondContact OE1-OH 3.1Å; A124-Y278 HydrophobicContact CB-CE1 4.07Å; V128-Y278 HydrophobicContact CG1-CD2 3.91Å; V128-Y278 HydrophobicContact CG1-CE2 3.97Å; V128-Y278 HydrophobicContact CG1-CG 4.29Å; V128-Y278 HydrophobicContact CG2-CD1 4.21Å; V128-Y278 HydrophobicContact CG2-CD2 4.39Å; V128-Y278 HydrophobicContact CG2-CG 3.96Å; W139-Y278 HydrophobicContact CB-CE2 3.97Å; A140-Y278 HydrophobicContact CB-CD2 3.84Å; A140-Y278 HydrophobicContact CB-CE2 4.35Å; F143-Y278 WeakPolarHBondContact CD1-OH 3.45Å; G144-Y278 WeakPolarHBondContact CA-OH 3.33Å; G144-Y278 PolarHBondContact N-OH 3.48Å; K274-Y278 WeakPolarHBondContact O-CB 3.32Å; K274-Y278 PolarHBondContact O-N 2.74Å; P275-Y278 WeakPolarHBondContact O-CB 3.48Å; P275-Y278 PolarHBondContact O-N 3.38Å; I276-Y278 VanDerWaalsContact C-N 3.3Å; I276-Y278 PolarHBondContact O-N 3.03Å; Y278-G282 PolarHBondContact O-N 3.1Å
279	L	98.4	Very high	96.8	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-64.9	-51	178.9	-66.4	-178.5	0	0	0	111.5	N148 P182 I267 P275 I276 V277 G282 S283	N148-L279 PolarHBondContact ND2-O 3.15Å; P182-L279 HydrophobicContact CB-CD2 4.3Å; P182-L279 WeakPolarHBondContact O-CB 3.34Å; P182-L279 WeakPolarHBondContact O-CD2 3.42Å; I267-L279 HydrophobicContact CD1-CD1 4.05Å; P275-L279 WeakPolarHBondContact O-CG 3.3Å; P275-L279 PolarHBondContact O-N 3.38Å; I276-L279 PolarHBondContact O-N 3.43Å; V277-L279 PolarHBondContact O-N 3.48Å; L279-G282 PolarHBondContact O-N 3.38Å; L279-S283 PolarHBondContact O-N 3.34Å; L279-S283 PolarHBondContact O-OG 3.35Å
280	I	97.8	Very high	96.6	Very high	48 Å²	48	34.2 Å²	34.2	25%	0.246	18%	0.175	C	C	.	.	H	α-helix	trans	-68.2	-44.7	-176.6	-64.7	172.8	0	0	0	111.3	I276 G282 S283 I284	I276-I280 HydrophobicContact CG2-CD1 3.85Å; I276-I280 WeakPolarHBondContact O-CG1 3.27Å; I276-I280 PolarHBondContact O-N 2.64Å; I280-G282 VanDerWaalsContact C-N 3.34Å; I280-G282 PolarHBondContact O-N 3.37Å; I280-S283 WeakPolarHBondContact O-CB 3.39Å; I280-S283 PolarHBondContact O-N 2.98Å; I280-I284 HydrophobicContact CG2-CD1 3.85Å; I280-I284 HydrophobicContact CG2-CG1 4.49Å; I280-I284 WeakPolarHBondContact O-CG1 3.48Å; I280-I284 PolarHBondContact O-N 3.4Å
281	A	97.4	Very high	96.4	Very high	13 Å²	13	29.9 Å²	29.9	11%	0.107	16%	0.161	C	C	.	.	H	α-helix	trans	-65	-38.8	177.7	0	0	0	0	0	111.4	F137 A140 V277 S283 I284 L285	F137-A281 HydrophobicContact CD1-CB 4.09Å; F137-A281 HydrophobicContact CE1-CB 3.84Å; A140-A281 HydrophobicContact CB-CB 4.33Å; V277-A281 HydrophobicContact CG1-CB 4.44Å; V277-A281 WeakPolarHBondContact O-CA 3.34Å; V277-A281 WeakPolarHBondContact O-CB 3.48Å; V277-A281 PolarHBondContact O-N 3.48Å; A281-S283 VanDerWaalsContact C-N 3.34Å; A281-S283 PolarHBondContact O-N 3.03Å; A281-I284 PolarHBondContact O-N 3.12Å; A281-L285 WeakPolarHBondContact O-CB 3.46Å; A281-L285 WeakPolarHBondContact O-CG 3.4Å; A281-L285 PolarHBondContact O-N 3.07Å
282	G	97.2	Very high	96.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59.6	-45.5	174.4	0	0	0	0	0	111.7	A140 G145 Y278 L279 I280 C286	A140-G282 VanDerWaalsContact O-CA 3.3Å; A140-G282 WeakPolarHBondContact O-CA 3.27Å; G145-G282 VanDerWaalsContact CA-O 3.28Å; G145-G282 WeakPolarHBondContact CA-O 3.22Å; Y278-G282 PolarHBondContact O-N 3.1Å; L279-G282 PolarHBondContact O-N 3.38Å; I280-G282 VanDerWaalsContact C-N 3.34Å; I280-G282 PolarHBondContact O-N 3.37Å; G282-C286 WeakPolarHBondContact O-CB 3.47Å; G282-C286 PolarHBondContact O-N 3.35Å
283	S	95.2	Very high	95.9	Very high	7 Å²	7	25.6 Å²	25.6	5%	0.049	14%	0.137	C	C	.	.	H	α-helix	trans	-59	-51.3	174.1	-57.2	0	0	0	0	111.9	N148 I183 L279 I280 A281 L285 L287	N148-S283 PolarHBondContact ND2-OG 3.43Å; I183-S283 PolarHBondContact O-OG 2.65Å; L279-S283 PolarHBondContact O-N 3.34Å; L279-S283 PolarHBondContact O-OG 3.35Å; I280-S283 WeakPolarHBondContact O-CB 3.39Å; I280-S283 PolarHBondContact O-N 2.98Å; A281-S283 VanDerWaalsContact C-N 3.34Å; A281-S283 PolarHBondContact O-N 3.03Å; S283-L285 PolarHBondContact O-N 3.01Å; S283-L287 WeakPolarHBondContact O-CB 3.47Å; S283-L287 WeakPolarHBondContact O-CD1 3.35Å; S283-L287 WeakPolarHBondContact O-CG 3.23Å; S283-L287 PolarHBondContact O-N 3.35Å
284	I	94.9	Very high	95.8	Very high	44 Å²	44	21.2 Å²	21.2	23%	0.226	11%	0.114	C	C	.	.	H	α-helix	trans	-62	-46.6	-178.6	-67.8	168.5	0	0	0	111.4	P234 F235 I280 A281 G288	P234-I284 HydrophobicContact CG-CG2 4.28Å; F235-I284 HydrophobicContact CE2-CG2 4.19Å; F235-I284 HydrophobicContact CZ-CD1 4.15Å; F235-I284 HydrophobicContact CZ-CG1 4.47Å; F235-I284 HydrophobicContact CZ-CG2 4.4Å; I280-I284 HydrophobicContact CG2-CD1 3.85Å; I280-I284 HydrophobicContact CG2-CG1 4.49Å; I280-I284 WeakPolarHBondContact O-CG1 3.48Å; I280-I284 PolarHBondContact O-N 3.4Å; A281-I284 PolarHBondContact O-N 3.12Å; I284-G288 PolarHBondContact O-N 2.9Å
285	L	94.6	Very high	95.6	Very high	48 Å²	48	19 Å²	19	25%	0.251	10%	0.104	S	C	.	.	H	α-helix	trans	-70.1	-43.2	-175.5	-65.7	168	0	0	0	111.9	Y141 A281 S283 G288 I289	Y141-L285 HydrophobicContact CD2-CB 3.9Å; Y141-L285 HydrophobicContact CD2-CD1 4.38Å; A281-L285 WeakPolarHBondContact O-CB 3.46Å; A281-L285 WeakPolarHBondContact O-CG 3.4Å; A281-L285 PolarHBondContact O-N 3.07Å; S283-L285 PolarHBondContact O-N 3.01Å; L285-G288 CarbonylContact O-C 3.6Å; L285-G288 PolarHBondContact O-N 2.76Å; L285-I289 CarbonylContact O-C 3.52Å; L285-I289 PolarHBondContact O-N 3.38Å
286	C	95.3	Very high	95.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-84.8	-21.6	-176	-73.5	0	0	0	0	114.5	Y141 G145 H149 G282 G288 H290	Y141-C286 PolarHBondContact O-SG 3.2Å; Y141-C286 VanDerWaalsContact O-SG 3.38Å; G145-C286 VanDerWaalsContact C-CB 3.42Å; G145-C286 WeakPolarHBondContact CA-SG 3.48Å; G145-C286 VanDerWaalsContact O-CB 3.32Å; G145-C286 WeakPolarHBondContact O-CB 3.27Å; H149-C286 HydrophobicContact CB-CB 4.35Å; H149-C286 PolarHBondContact CE1-O 2.85Å; H149-C286 PolarHBondContact ND1-O 2.93Å; G282-C286 WeakPolarHBondContact O-CB 3.47Å; G282-C286 PolarHBondContact O-N 3.35Å; C286-G288 VanDerWaalsContact C-N 3.31Å; C286-H290 HydrophobicContact CB-CB 4.25Å; C286-H290 PolarHBondContact SG-CD2 3.11Å
287	L	93.2	Very high	95.2	Very high	24 Å²	24	19 Å²	19	13%	0.126	10%	0.103	C	C	.	.	H	α-helix	trans	-82.8	-14	166	-61.6	167.7	0	0	0	111.8	T152 Q233 P234 S283 F296	T152-L287 HydrophobicContact CG2-CD1 4.43Å; T152-L287 HydrophobicContact CG2-CD2 4.17Å; Q233-L287 PolarHBondContact OE1-O 3.17Å; P234-L287 HydrophobicContact CB-CB 3.98Å; S283-L287 WeakPolarHBondContact O-CB 3.47Å; S283-L287 WeakPolarHBondContact O-CD1 3.35Å; S283-L287 WeakPolarHBondContact O-CG 3.23Å; S283-L287 PolarHBondContact O-N 3.35Å; L287-F296 HydrophobicContact CB-CE2 4.3Å; L287-F296 HydrophobicContact CD2-CE2 3.9Å; L287-F296 HydrophobicContact CD2-CZ 3.73Å
288	G	92.9	Very high	95.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	-94.2	-114.6	175.7	0	0	0	0	0	112.8	L230 I284 L285 C286 H290 S293	L230-G288 CarbonylContact O-C 3.39Å; L230-G288 VanDerWaalsContact O-C 3.29Å; L230-G288 WeakPolarHBondContact O-CA 3.49Å; I284-G288 PolarHBondContact O-N 2.9Å; L285-G288 CarbonylContact O-C 3.6Å; L285-G288 PolarHBondContact O-N 2.76Å; C286-G288 VanDerWaalsContact C-N 3.31Å; G288-H290 PolarHBondContact O-N 2.75Å; G288-S293 VanDerWaalsContact O-CB 3.24Å; G288-S293 WeakPolarHBondContact O-CB 3.35Å; G288-S293 PolarHBondContact O-OG 2.74Å
289	I	91	Very high	95	Very high	74 Å²	74	18.2 Å²	18.2	38%	0.379	10%	0.097	S	C	.	.	S	Bend	trans	-84.6	93.3	178.9	-58.2	174.3	0	0	0	109.8	V227 L230 F231 L285	V227-I289 HydrophobicContact CG1-CD1 3.97Å; L230-I289 HydrophobicContact CB-CG1 3.79Å; F231-I289 HydrophobicContact CB-CD1 3.94Å; F231-I289 HydrophobicContact CB-CG1 4.2Å; L285-I289 CarbonylContact O-C 3.52Å; L285-I289 PolarHBondContact O-N 3.38Å
290	H	95.1	Very high	94.9	Very high	14 Å²	14	18.4 Å²	18.4	7%	0.065	10%	0.098	C	C	.	.	S	Bend	trans	-158.4	146.7	175.3	-175.2	-96.6	0	0	0	110.6	Y141 C286 G288 F292 S293 L364	Y141-H290 HydrophobicContact CE2-CB 4.48Å; Y141-H290 AromaticContact CE2-CD2 3.77Å; Y141-H290 AromaticContact CZ-CD2 3.64Å; C286-H290 HydrophobicContact CB-CB 4.25Å; C286-H290 PolarHBondContact SG-CD2 3.11Å; G288-H290 PolarHBondContact O-N 2.75Å; H290-F292 AromaticContact CE1-CD1 3.51Å; H290-F292 AromaticContact CE1-CE1 3.93Å; H290-F292 AromaticContact CE1-CG 3.7Å; H290-F292 WeakPolarHBondContact ND1-CB 3.28Å; H290-F292 AromaticContact ND1-CD1 3.74Å; H290-F292 AromaticContact ND1-CG 3.63Å; H290-F292 PolarHBondContact ND1-N 2.92Å; H290-F292 PolarHBondContact O-N 3.17Å; H290-S293 PolarHBondContact N-OG 3.41Å; H290-S293 PolarHBondContact O-N 3.09Å; H290-S293 PolarHBondContact O-OG 2.88Å; H290-L364 WeakPolarHBondContact O-CD1 3.37Å
291	P	93.2	Very high	94.8	Very high	47 Å²	47	16.2 Å²	16.2	31%	0.305	9%	0.087	S	C	.	.	G	3₁₀ helix	trans	-54.2	-27.5	-177.7	-29	36.1	0	0	0	115.4	L316 W360	P291-L316 HydrophobicContact CB-CD1 4.49Å; P291-W360 VanDerWaalsContact O-CB 3.24Å; P291-W360 WeakPolarHBondContact O-CB 3.42Å
292	F	92.2	Very high	94.7	Very high	12 Å²	12	15.8 Å²	15.8	5%	0.053	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-67.3	-42.2	177	-71.9	22.8	0	0	0	111.3	C146 H149 H290 G294 H295 L316 L319 T320	C146-F292 HydrophobicContact CB-CE2 4.19Å; C146-F292 HydrophobicContact CB-CZ 4.36Å; H149-F292 HydrophobicContact CB-CD2 4.03Å; H149-F292 AromaticContact CD2-CD2 3.98Å; H149-F292 AromaticContact CG-CD2 3.99Å; H290-F292 AromaticContact CE1-CD1 3.51Å; H290-F292 AromaticContact CE1-CE1 3.93Å; H290-F292 AromaticContact CE1-CG 3.7Å; H290-F292 WeakPolarHBondContact ND1-CB 3.28Å; H290-F292 AromaticContact ND1-CD1 3.74Å; H290-F292 AromaticContact ND1-CG 3.63Å; H290-F292 PolarHBondContact ND1-N 2.92Å; H290-F292 PolarHBondContact O-N 3.17Å; F292-G294 PolarHBondContact O-N 3.22Å; F292-H295 PolarHBondContact O-CD2 3.39Å; F292-H295 PolarHBondContact O-N 3.34Å; F292-L316 HydrophobicContact CD1-CD1 4.16Å; F292-L316 HydrophobicContact CD1-CD2 4.06Å; F292-L316 HydrophobicContact CE1-CD2 3.63Å; F292-L319 HydrophobicContact CE1-CD1 4.34Å; F292-L319 HydrophobicContact CE2-CB 4.21Å; F292-L319 HydrophobicContact CZ-CB 3.99Å; F292-L319 HydrophobicContact CZ-CD1 3.66Å; F292-L319 HydrophobicContact CZ-CG 4.48Å; F292-T320 HydrophobicContact CD2-CG2 4.05Å; F292-T320 HydrophobicContact CE2-CG2 4.26Å
293	S	94.2	Very high	94.6	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-66.6	-8.9	-176.2	66.8	0	0	0	0	114.5	G288 H290 H295 F296	G288-S293 VanDerWaalsContact O-CB 3.24Å; G288-S293 WeakPolarHBondContact O-CB 3.35Å; G288-S293 PolarHBondContact O-OG 2.74Å; H290-S293 PolarHBondContact N-OG 3.41Å; H290-S293 PolarHBondContact O-N 3.09Å; H290-S293 PolarHBondContact O-OG 2.88Å; S293-H295 PolarHBondContact O-N 2.85Å; S293-H295 VanDerWaalsContact O-N 3.1Å; S293-F296 WeakPolarHBondContact O-CB 3.2Å; S293-F296 WeakPolarHBondContact O-CD2 3.44Å; S293-F296 PolarHBondContact O-N 2.82Å; S293-F296 VanDerWaalsContact O-N 3.11Å
294	G	95.7	Very high	94.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-56.8	-24.6	171.1	0	0	0	0	0	112.8	F292 F296 I297 A298	F292-G294 PolarHBondContact O-N 3.22Å; G294-F296 VanDerWaalsContact C-N 3.33Å; G294-F296 PolarHBondContact O-N 3.49Å; G294-I297 PolarHBondContact O-N 3.29Å; G294-I297 VanDerWaalsContact O-N 3.14Å; G294-A298 VanDerWaalsContact O-CB 3.28Å; G294-A298 WeakPolarHBondContact O-CB 3.48Å; G294-A298 PolarHBondContact O-N 3.49Å
295	H	95.2	Very high	94.4	Very high	5 Å²	5	26.9 Å²	26.9	2%	0.023	13%	0.132	C	C	.	.	H	α-helix	trans	-58.9	-40.2	175.6	89.1	86.6	0	0	0	112.7	H149 F292 S293 I297 A298 E299 W360	H149-H295 AromaticContact CE1-CD2 3.88Å; H149-H295 AromaticContact CE1-NE2 3.81Å; H149-H295 AromaticContact NE2-CD2 3.22Å; H149-H295 PolarHBondContact NE2-CD2 3.06Å; H149-H295 AromaticContact NE2-NE2 3.19Å; H149-H295 PolarHBondContact NE2-NE2 3.42Å; H149-H295 VanDerWaalsContact NE2-NE2 3.19Å; F292-H295 PolarHBondContact O-CD2 3.39Å; F292-H295 PolarHBondContact O-N 3.34Å; S293-H295 PolarHBondContact O-N 2.85Å; S293-H295 VanDerWaalsContact O-N 3.1Å; H295-I297 PolarHBondContact O-N 3.17Å; H295-A298 PolarHBondContact O-N 3.37Å; H295-E299 IonicContact CE1-OE1 3.43Å; H295-E299 IonicContact CG-OE1 2.68Å; H295-E299 VanDerWaalsContact ND1-CD 3.35Å; H295-E299 IonicContact ND1-OE1 3.43Å; H295-E299 PolarHBondContact ND1-OE1 3.32Å; H295-E299 IonicContact ND1-OE2 2.72Å; H295-E299 PolarHBondContact ND1-OE2 3.39Å; H295-E299 VanDerWaalsContact O-CB 3.3Å; H295-E299 WeakPolarHBondContact O-CB 3.26Å; H295-E299 WeakPolarHBondContact O-CG 3.32Å; H295-E299 PolarHBondContact O-N 2.89Å; H295-W360 HydrophobicContact CB-CD2 3.95Å; H295-W360 VanDerWaalsContact CB-CE2 3.46Å; H295-W360 HydrophobicContact CB-CE3 4.23Å; H295-W360 HydrophobicContact CB-CH2 3.73Å; H295-W360 HydrophobicContact CB-CZ2 3.36Å; H295-W360 HydrophobicContact CB-CZ3 4.14Å
296	F	93.4	Very high	94.2	Very high	24 Å²	24	27.2 Å²	27.2	11%	0.105	15%	0.148	C	C	.	.	H	α-helix	trans	-57.3	-22.4	177.7	-68.7	-54.6	0	0	0	114.1	H149 Q233 Y237 L287 S293 G294	H149-F296 AromaticContact CE1-CE2 3.93Å; Q233-F296 HydrophobicContact CG-CD2 4.38Å; Y237-F296 HydrophobicContact CD1-CE1 4.43Å; Y237-F296 AromaticContact CE1-CD1 3.89Å; Y237-F296 HydrophobicContact CE1-CD1 3.89Å; Y237-F296 HydrophobicContact CE1-CE1 4.05Å; Y237-F296 HydrophobicContact CE2-CB 4.16Å; Y237-F296 AromaticContact CE2-CD1 3.79Å; Y237-F296 HydrophobicContact CE2-CD1 3.79Å; Y237-F296 HydrophobicContact CE2-CE1 4.29Å; Y237-F296 AromaticContact CE2-CG 3.94Å; Y237-F296 HydrophobicContact CE2-CG 3.94Å; Y237-F296 AromaticContact CZ-CD1 3.41Å; Y237-F296 VanDerWaalsContact CZ-CD1 3.41Å; Y237-F296 AromaticContact CZ-CE1 3.98Å; Y237-F296 AromaticContact CZ-CG 3.97Å; Y237-F296 WeakPolarHBondContact OH-CD1 3.41Å; L287-F296 HydrophobicContact CB-CE2 4.3Å; L287-F296 HydrophobicContact CD2-CE2 3.9Å; L287-F296 HydrophobicContact CD2-CZ 3.73Å; S293-F296 WeakPolarHBondContact O-CB 3.2Å; S293-F296 WeakPolarHBondContact O-CD2 3.44Å; S293-F296 PolarHBondContact O-N 2.82Å; S293-F296 VanDerWaalsContact O-N 3.11Å; G294-F296 VanDerWaalsContact C-N 3.33Å; G294-F296 PolarHBondContact O-N 3.49Å
297	I	95.9	Very high	94.1	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-101	-47.7	177.5	-55.4	-180	0	0	0	109.7	W229 L230 G294 H295 E299 H300 Y301 F303 V363 L364 F367	W229-I297 HydrophobicContact CZ3-CD1 3.9Å; W229-I297 HydrophobicContact CZ3-CG1 4.17Å; L230-I297 HydrophobicContact CD2-CD1 3.39Å; G294-I297 PolarHBondContact O-N 3.29Å; G294-I297 VanDerWaalsContact O-N 3.14Å; H295-I297 PolarHBondContact O-N 3.17Å; I297-E299 PolarHBondContact O-N 3.26Å; I297-E299 VanDerWaalsContact O-N 3.15Å; I297-H300 PolarHBondContact O-N 3.08Å; I297-Y301 HydrophobicContact CB-CD2 4.18Å; I297-Y301 HydrophobicContact CB-CE2 4.46Å; I297-Y301 HydrophobicContact CG1-CE2 4.44Å; I297-Y301 HydrophobicContact CG2-CD1 4.11Å; I297-Y301 HydrophobicContact CG2-CD2 3.82Å; I297-Y301 HydrophobicContact CG2-CE2 4.34Å; I297-Y301 HydrophobicContact CG2-CG 3.68Å; I297-Y301 VanDerWaalsContact O-CB 3.23Å; I297-Y301 WeakPolarHBondContact O-CB 3.45Å; I297-Y301 VanDerWaalsContact O-CD2 3.22Å; I297-Y301 WeakPolarHBondContact O-CD2 3.47Å; I297-Y301 PolarHBondContact O-N 2.85Å; I297-F303 HydrophobicContact CG2-CE2 3.93Å; I297-F303 HydrophobicContact CG2-CZ 3.91Å; I297-V363 HydrophobicContact CB-CG1 3.86Å; I297-V363 HydrophobicContact CG2-CG1 3.94Å; I297-L364 HydrophobicContact CD1-CD2 3.96Å; I297-F367 HydrophobicContact CD1-CB 4Å; I297-F367 HydrophobicContact CD1-CD1 3.84Å; I297-F367 HydrophobicContact CD1-CD2 3.77Å; I297-F367 HydrophobicContact CD1-CE1 4.23Å; I297-F367 HydrophobicContact CD1-CE2 4.16Å; I297-F367 HydrophobicContact CD1-CG 3.59Å; I297-F367 HydrophobicContact CD1-CZ 4.38Å; I297-F367 HydrophobicContact CG1-CD2 4.49Å; I297-F367 HydrophobicContact CG2-CB 4.21Å; I297-F367 HydrophobicContact CG2-CD2 3.64Å; I297-F367 HydrophobicContact CG2-CE2 4.35Å; I297-F367 HydrophobicContact CG2-CG 4.18Å
298	A	96	Very high	94.1	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.008	16%	0.158	C	C	.	.	H	α-helix	trans	-51.5	-41.7	-179.1	0	0	0	0	0	111.7	G294 H295 H300 Y310 H357 V363	G294-A298 VanDerWaalsContact O-CB 3.28Å; G294-A298 WeakPolarHBondContact O-CB 3.48Å; G294-A298 PolarHBondContact O-N 3.49Å; H295-A298 PolarHBondContact O-N 3.37Å; A298-H300 PolarHBondContact O-N 3.4Å; A298-Y310 WeakPolarHBondContact O-CB 3.48Å; A298-Y310 WeakPolarHBondContact O-CD2 3.3Å; A298-H357 PolarHBondContact O-NE2 3.48Å; A298-V363 HydrophobicContact CB-CB 4.45Å; A298-V363 HydrophobicContact CB-CG1 3.93Å; A298-V363 HydrophobicContact CB-CG2 3.97Å
299	E	95.8	Very high	94.4	Very high	21 Å²	21	30 Å²	30	10%	0.098	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-44.8	-169.4	-77.6	170.1	-171.3	0	0	112.9	H295 I297 T309 Y310 H326	H295-E299 IonicContact CE1-OE1 3.43Å; H295-E299 IonicContact CG-OE1 2.68Å; H295-E299 VanDerWaalsContact ND1-CD 3.35Å; H295-E299 IonicContact ND1-OE1 3.43Å; H295-E299 PolarHBondContact ND1-OE1 3.32Å; H295-E299 IonicContact ND1-OE2 2.72Å; H295-E299 PolarHBondContact ND1-OE2 3.39Å; H295-E299 VanDerWaalsContact O-CB 3.3Å; H295-E299 WeakPolarHBondContact O-CB 3.26Å; H295-E299 WeakPolarHBondContact O-CG 3.32Å; H295-E299 PolarHBondContact O-N 2.89Å; I297-E299 PolarHBondContact O-N 3.26Å; I297-E299 VanDerWaalsContact O-N 3.15Å; E299-T309 CarbonylContact O-C 3.53Å; E299-T309 WeakPolarHBondContact O-CA 3.43Å; E299-Y310 PolarHBondContact O-N 2.66Å; E299-H326 WeakPolarHBondContact CB-CD2 3.48Å; E299-H326 WeakPolarHBondContact CB-NE2 3.46Å; E299-H326 HydrophobicContact CG-CB 4.1Å; E299-H326 VanDerWaalsContact CG-CD2 3.42Å; E299-H326 WeakPolarHBondContact CG-CD2 3.28Å; E299-H326 IonicContact OE2-CE1 2.85Å; E299-H326 IonicContact OE2-NE2 2.65Å
300	H	96.9	Very high	94.7	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.019	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.4	3.5	-169	-70.7	-55.7	0	0	0	116.9	H198 I297 A298 E308 T309 H326 H330 R378	H198-H300 AromaticContact CE1-CD2 3.34Å; H198-H300 PolarHBondContact CE1-CD2 2.71Å; H198-H300 AromaticContact CE1-NE2 3.33Å; H198-H300 PolarHBondContact CE1-NE2 2.81Å; H198-H300 VanDerWaalsContact CE1-NE2 3.33Å; H198-H300 AromaticContact NE2-CD2 3.41Å; H198-H300 PolarHBondContact NE2-CD2 3.12Å; H198-H300 AromaticContact NE2-CE1 3.95Å; H198-H300 AromaticContact NE2-NE2 3Å; H198-H300 PolarHBondContact NE2-NE2 2.76Å; I297-H300 PolarHBondContact O-N 3.08Å; A298-H300 PolarHBondContact O-N 3.4Å; H300-E308 VanDerWaalsContact CA-O 3.26Å; H300-E308 WeakPolarHBondContact CA-O 3.42Å; H300-E308 PolarHBondContact ND1-O 3.1Å; H300-T309 PolarHBondContact CE1-OG1 3.08Å; H300-T309 PolarHBondContact ND1-OG1 3.06Å; H300-H326 AromaticContact CD2-NE2 3.6Å; H300-H326 AromaticContact CE1-CD2 3.86Å; H300-H326 AromaticContact CE1-NE2 3.46Å; H300-H326 PolarHBondContact CE1-NE2 3.24Å; H300-H326 AromaticContact NE2-CD2 3.65Å; H300-H326 AromaticContact NE2-CE1 3.89Å; H300-H326 AromaticContact NE2-NE2 2.84Å; H300-H326 PolarHBondContact NE2-NE2 3.46Å; H300-H330 AromaticContact CE1-CE1 3.45Å; H300-H330 PolarHBondContact CE1-CE1 3.49Å; H300-H330 VanDerWaalsContact CE1-CE1 3.45Å; H300-H330 AromaticContact CE1-NE2 3.54Å; H300-H330 AromaticContact NE2-CE1 3.33Å; H300-H330 PolarHBondContact NE2-CE1 3.23Å; H300-H330 VanDerWaalsContact NE2-CE1 3.33Å; H300-H330 AromaticContact NE2-NE2 3.18Å; H300-H330 PolarHBondContact NE2-NE2 3.43Å; H300-H330 VanDerWaalsContact NE2-NE2 3.18Å; H300-R378 WeakPolarHBondContact O-CD 3.23Å; H300-R378 PolarHBondContact O-NE 2.98Å
301	Y	96.5	Very high	94.8	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.008	14%	0.141	C	C	.	.	S	Bend	trans	-86.7	136.1	174.1	-74.8	-115	0	0	0	111	P212 W229 I297 F303 Y310 F367 G374 A377 R378	P212-Y301 WeakPolarHBondContact CG-OH 3.29Å; W229-Y301 WeakPolarHBondContact CH2-OH 3.21Å; W229-Y301 WeakPolarHBondContact CZ2-OH 3.25Å; I297-Y301 HydrophobicContact CB-CD2 4.18Å; I297-Y301 HydrophobicContact CB-CE2 4.46Å; I297-Y301 HydrophobicContact CG1-CE2 4.44Å; I297-Y301 HydrophobicContact CG2-CD1 4.11Å; I297-Y301 HydrophobicContact CG2-CD2 3.82Å; I297-Y301 HydrophobicContact CG2-CE2 4.34Å; I297-Y301 HydrophobicContact CG2-CG 3.68Å; I297-Y301 VanDerWaalsContact O-CB 3.23Å; I297-Y301 WeakPolarHBondContact O-CB 3.45Å; I297-Y301 VanDerWaalsContact O-CD2 3.22Å; I297-Y301 WeakPolarHBondContact O-CD2 3.47Å; I297-Y301 PolarHBondContact O-N 2.85Å; Y301-F303 VanDerWaalsContact C-N 3.35Å; Y301-F303 VanDerWaalsContact O-CD2 3.28Å; Y301-F303 WeakPolarHBondContact O-CD2 3.4Å; Y301-F303 PolarHBondContact O-N 3.17Å; Y301-Y310 WeakPolarHBondContact O-CE2 2.88Å; Y301-F367 HydrophobicContact CD1-CD2 4.4Å; Y301-F367 HydrophobicContact CD1-CE2 4.11Å; Y301-F367 HydrophobicContact CE1-CD2 4.4Å; Y301-F367 AromaticContact CE1-CE2 3.7Å; Y301-F367 HydrophobicContact CE1-CE2 3.7Å; Y301-G374 WeakPolarHBondContact CD1-O 3.4Å; Y301-G374 VanDerWaalsContact CE1-O 3.28Å; Y301-G374 WeakPolarHBondContact CE1-O 3.22Å; Y301-A377 CarbonylContact C-O 3.58Å; Y301-A377 VanDerWaalsContact CA-O 3.24Å; Y301-A377 WeakPolarHBondContact CA-O 3.49Å; Y301-A377 HydrophobicContact CD1-CB 4.33Å; Y301-R378 HydrophobicContact CD1-CG 4.34Å; Y301-R378 HydrophobicContact CE1-CG 4.22Å
302	M	95.3	Very high	95	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.02	13%	0.127	C	C	.	.			trans	-79.3	81	-175.7	-175.8	170.4	46.7	0	0	110.9	E78 L304 K305 G306 H307 A377 I379	E78-M302 HydrophobicContact CB-CE 3.51Å; E78-M302 HydrophobicContact CB-SD 4.47Å; E78-M302 HydrophobicContact CG-CE 3.98Å; E78-M302 HydrophobicContact CG-SD 4.43Å; M302-L304 WeakPolarHBondContact CG-O 3.37Å; M302-K305 HydrophobicContact SD-CG 4.34Å; M302-G306 PolarHBondContact SD-N 3.11Å; M302-H307 WeakPolarHBondContact CA-O 3.49Å; M302-H307 WeakPolarHBondContact CB-O 3.4Å; M302-H307 VanDerWaalsContact CG-O 3.29Å; M302-H307 WeakPolarHBondContact CG-O 3.17Å; M302-A377 PolarHBondContact N-O 2.66Å; M302-I379 HydrophobicContact SD-CD1 4.34Å; M302-I379 HydrophobicContact SD-CG1 4.16Å
303	F	95.1	Very high	95.2	Very high	46 Å²	46	26.1 Å²	26.1	20%	0.202	13%	0.134	C	C	.	.	S	Bend	trans	-68.4	-24.5	171.3	-77.3	-88.8	0	0	0	113.3	I297 Y301 Y310 H357 V363 D366 I373	I297-F303 HydrophobicContact CG2-CE2 3.93Å; I297-F303 HydrophobicContact CG2-CZ 3.91Å; Y301-F303 VanDerWaalsContact C-N 3.35Å; Y301-F303 VanDerWaalsContact O-CD2 3.28Å; Y301-F303 WeakPolarHBondContact O-CD2 3.4Å; Y301-F303 PolarHBondContact O-N 3.17Å; F303-Y310 HydrophobicContact CB-CE1 4.27Å; F303-Y310 PolarHBondContact N-OH 3.01Å; F303-Y310 VanDerWaalsContact N-OH 3.1Å; F303-H357 AromaticContact CD2-CE1 3.48Å; F303-H357 VanDerWaalsContact CD2-CE1 3.48Å; F303-H357 WeakPolarHBondContact CD2-CE1 3.27Å; F303-H357 AromaticContact CD2-NE2 3.62Å; F303-H357 AromaticContact CE2-CE1 3.91Å; F303-H357 AromaticContact CG-CE1 3.69Å; F303-V363 HydrophobicContact CE2-CG1 3.98Å; F303-V363 HydrophobicContact CZ-CB 4.41Å; F303-V363 HydrophobicContact CZ-CG1 3.67Å; F303-D366 HydrophobicContact CE1-CB 3.85Å; F303-I373 HydrophobicContact CD1-CD1 3.98Å; F303-I373 HydrophobicContact CD1-CG1 3.95Å; F303-I373 HydrophobicContact CD1-CG2 4.4Å; F303-I373 HydrophobicContact CE1-CB 4.49Å; F303-I373 HydrophobicContact CE1-CD1 4.46Å; F303-I373 HydrophobicContact CE1-CG1 4.03Å; F303-I373 HydrophobicContact CE1-CG2 3.85Å; F303-I373 HydrophobicContact CG-CD1 4.32Å; F303-I373 HydrophobicContact CZ-CG2 3.93Å
304	L	94.1	Very high	95.3	Very high	90 Å²	90	26.8 Å²	26.8	47%	0.471	14%	0.141	S	C	.	.	S	Bend	trans	-131.5	124.8	175.1	-178.5	63.4	0	0	0	108	M302 G306 H307 Y310 P355	M302-L304 WeakPolarHBondContact CG-O 3.37Å; L304-G306 PolarHBondContact O-N 2.81Å; L304-H307 PolarHBondContact O-N 3.29Å; L304-H307 VanDerWaalsContact O-N 3.08Å; L304-Y310 PolarHBondContact N-OH 3.31Å; L304-Y310 PolarHBondContact O-OH 3.31Å; L304-Y310 VanDerWaalsContact O-OH 3.12Å; L304-P355 HydrophobicContact CD2-CB 4.19Å; L304-P355 HydrophobicContact CD2-CG 4.22Å
305	K	90.8	Very high	95.2	Very high	148 Å²	148	32 Å²	32	64%	0.643	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	132.2	-176	-171.3	174.2	-177.8	175.5	0	111.3	E78 M302	E78-K305 WeakPolarHBondContact OE1-CE 3.18Å; E78-K305 IonicContact OE1-NZ 3.48Å; M302-K305 HydrophobicContact SD-CG 4.34Å
306	G	90.3	Very high	95.2	Very high	56 Å²	56	33.4 Å²	33.4	58%	0.577	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	90	-4.9	-179.9	0	0	0	0	0	114.8	M302 L304	M302-G306 PolarHBondContact SD-N 3.11Å; L304-G306 PolarHBondContact O-N 2.81Å
307	H	93.8	Very high	95.3	Very high	59 Å²	59	32.7 Å²	32.7	27%	0.273	18%	0.18	S	C	.	.			trans	-112	130.2	175.7	-64.2	-90.5	0	0	0	110.7	M302 L304 Y310 P355	M302-H307 WeakPolarHBondContact CA-O 3.49Å; M302-H307 WeakPolarHBondContact CB-O 3.4Å; M302-H307 VanDerWaalsContact CG-O 3.29Å; M302-H307 WeakPolarHBondContact CG-O 3.17Å; L304-H307 PolarHBondContact O-N 3.29Å; L304-H307 VanDerWaalsContact O-N 3.08Å; H307-Y310 HydrophobicContact CB-CE1 4.22Å; H307-Y310 HydrophobicContact CB-CE2 4.25Å; H307-Y310 WeakPolarHBondContact CB-OH 3.25Å; H307-Y310 PolarHBondContact O-OH 3.07Å; H307-P355 HydrophobicContact CB-CG 3.91Å; H307-P355 VanDerWaalsContact CE1-CD 3.43Å; H307-P355 WeakPolarHBondContact CE1-CD 3.11Å; H307-P355 WeakPolarHBondContact ND1-CD 3.33Å; H307-P355 WeakPolarHBondContact ND1-CG 3.19Å
308	E	94	Very high	95.1	Very high	16 Å²	16	41.5 Å²	41.5	8%	0.075	22%	0.219	C	C	.	.			trans	-121.8	-1.4	-175.3	68.9	-172	136.5	0	0	114.2	P85 L202 H300 I379 R381	P85-E308 WeakPolarHBondContact CD-OE1 3.47Å; P85-E308 WeakPolarHBondContact CG-OE1 3.33Å; L202-E308 HydrophobicContact CD2-CG 4.44Å; H300-E308 VanDerWaalsContact CA-O 3.26Å; H300-E308 WeakPolarHBondContact CA-O 3.42Å; H300-E308 PolarHBondContact ND1-O 3.1Å; E308-I379 HydrophobicContact CB-CB 4.12Å; E308-I379 HydrophobicContact CB-CD1 3.71Å; E308-I379 HydrophobicContact CB-CG1 3.88Å; E308-I379 HydrophobicContact CG-CD1 4.46Å; E308-R381 IonicContact OE1-CZ 3.88Å; E308-R381 IonicContact OE1-NH1 3.99Å; E308-R381 IonicContact OE1-NH2 3.23Å; E308-R381 PolarHBondContact OE1-NH2 2.92Å; E308-R381 IonicContact OE2-CZ 3.42Å; E308-R381 VanDerWaalsContact OE2-CZ 3.23Å; E308-R381 IonicContact OE2-NH1 3.53Å; E308-R381 PolarHBondContact OE2-NH1 3.23Å; E308-R381 IonicContact OE2-NH2 3.51Å; E308-R381 PolarHBondContact OE2-NH2 3.44Å
309	T	97.1	Very high	95	Very high	7 Å²	7	45.4 Å²	45.4	4%	0.043	24%	0.239	C	C	.	.			trans	-140.4	129.6	177.2	-52.2	0	0	0	0	108.6	H86 E299 H300 M327	H86-T309 PolarHBondContact CE1-OG1 3.36Å; H86-T309 WeakPolarHBondContact NE2-CB 3.39Å; H86-T309 PolarHBondContact NE2-OG1 2.97Å; E299-T309 CarbonylContact O-C 3.53Å; E299-T309 WeakPolarHBondContact O-CA 3.43Å; H300-T309 PolarHBondContact CE1-OG1 3.08Å; H300-T309 PolarHBondContact ND1-OG1 3.06Å; T309-M327 HydrophobicContact CG2-CB 4.32Å
310	Y	98	Very high	95	Very high	6 Å²	6	44.4 Å²	44.4	2%	0.024	23%	0.234	C	C	.	.			trans	-128.1	142	178.9	-57	-106.5	0	0	0	110.2	A298 E299 Y301 F303 L304 H307 P355 H357	A298-Y310 WeakPolarHBondContact O-CB 3.48Å; A298-Y310 WeakPolarHBondContact O-CD2 3.3Å; E299-Y310 PolarHBondContact O-N 2.66Å; Y301-Y310 WeakPolarHBondContact O-CE2 2.88Å; F303-Y310 HydrophobicContact CB-CE1 4.27Å; F303-Y310 PolarHBondContact N-OH 3.01Å; F303-Y310 VanDerWaalsContact N-OH 3.1Å; L304-Y310 PolarHBondContact N-OH 3.31Å; L304-Y310 PolarHBondContact O-OH 3.31Å; L304-Y310 VanDerWaalsContact O-OH 3.12Å; H307-Y310 HydrophobicContact CB-CE1 4.22Å; H307-Y310 HydrophobicContact CB-CE2 4.25Å; H307-Y310 WeakPolarHBondContact CB-OH 3.25Å; H307-Y310 PolarHBondContact O-OH 3.07Å; Y310-P355 HydrophobicContact CD1-CB 3.92Å; Y310-P355 HydrophobicContact CD1-CG 3.92Å; Y310-P355 HydrophobicContact CE1-CB 3.68Å; Y310-P355 HydrophobicContact CE1-CG 3.57Å; Y310-H357 AromaticContact CD1-NE2 3.84Å; Y310-H357 AromaticContact CG-NE2 3.64Å
311	S	98.2	Very high	95	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.007	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	152.1	166.2	-66.9	0	0	0	0	110.7	Y313 G324 H326 M327 E328 Q356 H357	S311-Y313 WeakPolarHBondContact CB-OH 3.49Å; S311-G324 CarbonylContact C-O 3.53Å; S311-G324 WeakPolarHBondContact CA-O 3.42Å; S311-G324 VanDerWaalsContact CB-O 3.26Å; S311-G324 WeakPolarHBondContact CB-O 3.47Å; S311-H326 PolarHBondContact OG-N 3.48Å; S311-M327 WeakPolarHBondContact OG-CB 3.06Å; S311-M327 PolarHBondContact OG-N 3.42Å; S311-E328 PolarHBondContact OG-OE2 3.1Å; S311-Q356 CarbonylContact O-C 3.39Å; S311-Q356 VanDerWaalsContact O-CA 3.26Å; S311-Q356 WeakPolarHBondContact O-CA 3.47Å; S311-Q356 WeakPolarHBondContact O-CB 3.42Å; S311-H357 PolarHBondContact O-N 3.29Å
312	Y	97.6	Very high	95.1	Very high	7 Å²	7	47.8 Å²	47.8	3%	0.027	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	122.2	168	163.8	-98.8	0	0	0	109.2	G314 P315 L316 N317 G324 H357 T358 W360	Y312-G314 WeakPolarHBondContact CE1-O 3.3Å; Y312-G314 VanDerWaalsContact CZ-C 3.49Å; Y312-G314 VanDerWaalsContact OH-C 3.23Å; Y312-G314 VanDerWaalsContact OH-CA 3.28Å; Y312-G314 WeakPolarHBondContact OH-CA 3.4Å; Y312-P315 WeakPolarHBondContact OH-CD 3.24Å; Y312-L316 HydrophobicContact CE1-CB 3.89Å; Y312-L316 PolarHBondContact OH-N 2.7Å; Y312-N317 PolarHBondContact O-ND2 3.45Å; Y312-G324 PolarHBondContact N-O 3.3Å; Y312-G324 CarbonylContact O-C 3.11Å; Y312-G324 VanDerWaalsContact O-C 3.24Å; Y312-G324 WeakPolarHBondContact O-CA 3.44Å; Y312-H357 WeakPolarHBondContact CA-O 3.2Å; Y312-H357 HydrophobicContact CD2-CB 4.31Å; Y312-H357 WeakPolarHBondContact CD2-O 3.39Å; Y312-T358 WeakPolarHBondContact CE2-O 3.08Å; Y312-W360 VanDerWaalsContact CB-NE1 3.31Å; Y312-W360 HydrophobicContact CD1-CD2 4.12Å; Y312-W360 AromaticContact CD1-CE2 3.49Å; Y312-W360 VanDerWaalsContact CD1-CE2 3.49Å; Y312-W360 HydrophobicContact CD1-CH2 4.22Å; Y312-W360 AromaticContact CD1-CZ2 3.55Å; Y312-W360 HydrophobicContact CD1-CZ2 3.55Å; Y312-W360 AromaticContact CD1-NE1 3.74Å; Y312-W360 AromaticContact CD2-CD1 3.82Å; Y312-W360 HydrophobicContact CD2-CG 4.27Å; Y312-W360 AromaticContact CD2-NE1 3.84Å; Y312-W360 HydrophobicContact CE1-CD2 4.19Å; Y312-W360 HydrophobicContact CE1-CE3 4.48Å; Y312-W360 HydrophobicContact CE1-CH2 4.41Å; Y312-W360 HydrophobicContact CE1-CZ2 4.13Å; Y312-W360 HydrophobicContact CE2-CG 4.36Å; Y312-W360 AromaticContact CG-CD1 3.84Å; Y312-W360 HydrophobicContact CG-CD2 4.3Å; Y312-W360 AromaticContact CG-CE2 3.64Å; Y312-W360 HydrophobicContact CG-CG 4.39Å; Y312-W360 HydrophobicContact CG-CZ2 4.09Å; Y312-W360 AromaticContact CG-NE1 3.35Å; Y312-W360 VanDerWaalsContact CG-NE1 3.35Å
313	Y	95.9	Very high	95.1	Very high	51 Å²	51	48 Å²	48	20%	0.2	25%	0.252	C	S	.	.			trans	-112.4	41	179.9	-53.4	-60.4	0	0	0	112.4	S311 Y325 E328 K344 Q356 H357	S311-Y313 WeakPolarHBondContact CB-OH 3.49Å; Y313-Y325 AromaticContact CD1-CD1 3.85Å; Y313-Y325 HydrophobicContact CD1-CD1 3.85Å; Y313-Y325 HydrophobicContact CD1-CD2 4.37Å; Y313-Y325 AromaticContact CD1-CE1 3.56Å; Y313-Y325 HydrophobicContact CD1-CE1 3.56Å; Y313-Y325 HydrophobicContact CD1-CE2 4.14Å; Y313-Y325 HydrophobicContact CD1-CG 4.24Å; Y313-Y325 AromaticContact CD1-CZ 3.72Å; Y313-Y325 AromaticContact CE1-CD1 3.44Å; Y313-Y325 HydrophobicContact CE1-CD1 3.44Å; Y313-Y325 VanDerWaalsContact CE1-CD1 3.44Å; Y313-Y325 AromaticContact CE1-CE1 3.52Å; Y313-Y325 HydrophobicContact CE1-CE1 3.52Å; Y313-Y325 AromaticContact CE1-CG 4Å; Y313-Y325 HydrophobicContact CE1-CG 4Å; Y313-E328 WeakPolarHBondContact CE1-OE1 3.41Å; Y313-E328 PolarHBondContact OH-OE1 3.01Å; Y313-K344 HydrophobicContact CD1-CD 4.17Å; Y313-K344 HydrophobicContact CE1-CD 3.52Å; Y313-K344 HydrophobicContact CE2-CD 4.2Å; Y313-K344 VanDerWaalsContact CZ-CE 3.41Å; Y313-K344 VanDerWaalsContact CZ-NZ 3.35Å; Y313-K344 PolarHBondContact OH-NZ 3.08Å; Y313-K344 VanDerWaalsContact OH-NZ 3.08Å; Y313-Q356 HydrophobicContact CD2-CB 4.2Å; Y313-Q356 HydrophobicContact CD2-CG 4.44Å; Y313-Q356 HydrophobicContact CE2-CB 4.05Å; Y313-H357 PolarHBondContact N-O 2.84Å
314	G	94.9	Very high	95.2	Very high	14 Å²	14	45.9 Å²	45.9	14%	0.144	24%	0.243	C	C	.	.	S	Bend	trans	-104.8	-179.6	178.7	0	0	0	0	0	114.2	Y312 L316 N317	Y312-G314 WeakPolarHBondContact CE1-O 3.3Å; Y312-G314 VanDerWaalsContact CZ-C 3.49Å; Y312-G314 VanDerWaalsContact OH-C 3.23Å; Y312-G314 VanDerWaalsContact OH-CA 3.28Å; Y312-G314 WeakPolarHBondContact OH-CA 3.4Å; G314-L316 VanDerWaalsContact C-N 3.27Å; G314-L316 PolarHBondContact O-N 2.81Å; G314-N317 WeakPolarHBondContact O-CB 3.26Å; G314-N317 PolarHBondContact O-N 3.26Å; G314-N317 PolarHBondContact O-ND2 2.98Å
315	P	94.8	Very high	95.4	Very high	110 Å²	110	43.5 Å²	43.5	71%	0.714	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-66.5	-23.1	-169.4	25.7	-36.2	0	0	0	114.4	Y312 N317 F318	Y312-P315 WeakPolarHBondContact OH-CD 3.24Å; P315-N317 PolarHBondContact O-N 3.01Å; P315-N317 VanDerWaalsContact O-N 3.12Å; P315-F318 WeakPolarHBondContact O-CB 3.41Å; P315-F318 PolarHBondContact O-N 2.99Å; P315-F318 VanDerWaalsContact O-N 3.12Å
316	L	94.9	Very high	95.8	Very high	35 Å²	35	36.5 Å²	36.5	18%	0.183	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-63.6	-19.9	-179	-64.3	-178.4	0	0	0	112.6	P291 F292 Y312 G314 F318 L319 T320 W360	P291-L316 HydrophobicContact CB-CD1 4.49Å; F292-L316 HydrophobicContact CD1-CD1 4.16Å; F292-L316 HydrophobicContact CD1-CD2 4.06Å; F292-L316 HydrophobicContact CE1-CD2 3.63Å; Y312-L316 HydrophobicContact CE1-CB 3.89Å; Y312-L316 PolarHBondContact OH-N 2.7Å; G314-L316 VanDerWaalsContact C-N 3.27Å; G314-L316 PolarHBondContact O-N 2.81Å; L316-F318 PolarHBondContact O-N 3.09Å; L316-F318 VanDerWaalsContact O-N 3.17Å; L316-L319 PolarHBondContact O-N 2.88Å; L316-T320 VanDerWaalsContact C-OG1 3.25Å; L316-T320 WeakPolarHBondContact O-CB 3.14Å; L316-T320 WeakPolarHBondContact O-CG2 3.4Å; L316-T320 PolarHBondContact O-N 3.29Å; L316-T320 VanDerWaalsContact O-N 3.16Å; L316-T320 PolarHBondContact O-OG1 3.11Å; L316-W360 HydrophobicContact CB-CE3 3.91Å; L316-W360 HydrophobicContact CB-CZ3 3.76Å; L316-W360 HydrophobicContact CD1-CB 4.39Å; L316-W360 HydrophobicContact CD1-CD2 4.33Å; L316-W360 HydrophobicContact CD1-CE3 3.52Å; L316-W360 HydrophobicContact CD1-CZ3 4.16Å; L316-W360 HydrophobicContact CG-CE3 4.37Å
317	N	95.3	Very high	96.2	Very high	8 Å²	8	34.1 Å²	34.1	4%	0.043	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-52.8	-34	172.3	-84.3	-40	0	0	0	113.4	Y312 G314 P315 L319 T320 F321 N322 G324	Y312-N317 PolarHBondContact O-ND2 3.45Å; G314-N317 WeakPolarHBondContact O-CB 3.26Å; G314-N317 PolarHBondContact O-N 3.26Å; G314-N317 PolarHBondContact O-ND2 2.98Å; P315-N317 PolarHBondContact O-N 3.01Å; P315-N317 VanDerWaalsContact O-N 3.12Å; N317-L319 PolarHBondContact O-N 3.13Å; N317-T320 WeakPolarHBondContact CA-OG1 3.2Å; N317-T320 PolarHBondContact N-OG1 2.89Å; N317-T320 CarbonylContact O-C 3.43Å; N317-T320 PolarHBondContact O-N 3.18Å; N317-T320 VanDerWaalsContact O-N 3.13Å; N317-F321 PolarHBondContact O-N 3.3Å; N317-N322 PolarHBondContact O-N 2.96Å; N317-N322 WeakPolarHBondContact OD1-CA 3.35Å; N317-G324 WeakPolarHBondContact OD1-CA 3.39Å; N317-G324 PolarHBondContact OD1-N 3.23Å
318	F	92.6	Very high	96.4	Very high	185 Å²	185	31.3 Å²	31.3	81%	0.811	16%	0.159	S	C	*	.	G	3₁₀ helix	trans	-61.4	-33.5	178.2	-177.3	-101.6	0	0	0	112.6	P315 L316	P315-F318 WeakPolarHBondContact O-CB 3.41Å; P315-F318 PolarHBondContact O-N 2.99Å; P315-F318 VanDerWaalsContact O-N 3.12Å; L316-F318 PolarHBondContact O-N 3.09Å; L316-F318 VanDerWaalsContact O-N 3.17Å
319	L	94.1	Very high	96.6	Very high	83 Å²	83	30.7 Å²	30.7	44%	0.435	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-93.9	-8.5	179.5	-58.9	177.2	0	0	0	112.5	S150 F292 L316 N317	S150-L319 VanDerWaalsContact CB-O 3.27Å; S150-L319 WeakPolarHBondContact CB-O 3.26Å; S150-L319 PolarHBondContact OG-O 3.19Å; F292-L319 HydrophobicContact CE1-CD1 4.34Å; F292-L319 HydrophobicContact CE2-CB 4.21Å; F292-L319 HydrophobicContact CZ-CB 3.99Å; F292-L319 HydrophobicContact CZ-CD1 3.66Å; F292-L319 HydrophobicContact CZ-CG 4.48Å; L316-L319 PolarHBondContact O-N 2.88Å; N317-L319 PolarHBondContact O-N 3.13Å
320	T	95.3	Very high	96.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.9	26.7	-169.1	55.8	0	0	0	0	112.6	L153 F292 L316 N317 N322 V323 W360	L153-T320 HydrophobicContact CD1-CG2 3.42Å; L153-T320 VanDerWaalsContact CD1-CG2 3.42Å; F292-T320 HydrophobicContact CD2-CG2 4.05Å; F292-T320 HydrophobicContact CE2-CG2 4.26Å; L316-T320 VanDerWaalsContact C-OG1 3.25Å; L316-T320 WeakPolarHBondContact O-CB 3.14Å; L316-T320 WeakPolarHBondContact O-CG2 3.4Å; L316-T320 PolarHBondContact O-N 3.29Å; L316-T320 VanDerWaalsContact O-N 3.16Å; L316-T320 PolarHBondContact O-OG1 3.11Å; N317-T320 WeakPolarHBondContact CA-OG1 3.2Å; N317-T320 PolarHBondContact N-OG1 2.89Å; N317-T320 CarbonylContact O-C 3.43Å; N317-T320 PolarHBondContact O-N 3.18Å; N317-T320 VanDerWaalsContact O-N 3.13Å; T320-N322 PolarHBondContact O-N 3.34Å; T320-N322 VanDerWaalsContact O-N 3.13Å; T320-V323 WeakPolarHBondContact O-CB 3.41Å; T320-V323 PolarHBondContact O-N 3.49Å; T320-W360 HydrophobicContact CG2-CH2 4.23Å; T320-W360 HydrophobicContact CG2-CZ3 3.96Å
321	F	96.6	Very high	96.7	Very high	41 Å²	41	30.1 Å²	30.1	18%	0.18	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	34.4	174.7	-58.4	-84.8	0	0	0	113.6	L110 V113 V114 L117 S150 A154 N317 V323 G337	L110-F321 HydrophobicContact CD1-CD1 3.81Å; L110-F321 HydrophobicContact CD1-CE1 3.82Å; V113-F321 HydrophobicContact CB-CE1 4.41Å; V113-F321 HydrophobicContact CG1-CE1 3.79Å; V113-F321 HydrophobicContact CG1-CZ 4.03Å; V114-F321 HydrophobicContact CG2-CE1 4.35Å; V114-F321 HydrophobicContact CG2-CZ 4.11Å; L117-F321 HydrophobicContact CD1-CE2 4.26Å; L117-F321 HydrophobicContact CD1-CZ 3.85Å; S150-F321 VanDerWaalsContact O-CE2 3.27Å; S150-F321 WeakPolarHBondContact O-CE2 3.22Å; A154-F321 HydrophobicContact CB-CD2 4.15Å; A154-F321 HydrophobicContact CB-CE2 3.76Å; A154-F321 HydrophobicContact CB-CZ 4.1Å; N317-F321 PolarHBondContact O-N 3.3Å; F321-V323 PolarHBondContact O-N 3.15Å; F321-G337 WeakPolarHBondContact O-CA 3.34Å
322	N	97.9	Very high	96.7	Very high	37 Å²	37	30.1 Å²	30.1	20%	0.198	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	27.6	-175.8	-60.6	-39.4	0	0	0	114.8	N317 T320 G324 Y325 G337	N317-N322 PolarHBondContact O-N 2.96Å; N317-N322 WeakPolarHBondContact OD1-CA 3.35Å; T320-N322 PolarHBondContact O-N 3.34Å; T320-N322 VanDerWaalsContact O-N 3.13Å; N322-G324 PolarHBondContact O-N 3.12Å; N322-G324 VanDerWaalsContact O-N 3.09Å; N322-Y325 HydrophobicContact CB-CD2 3.79Å; N322-Y325 HydrophobicContact CB-CE2 4.25Å; N322-Y325 PolarHBondContact O-N 3.27Å; N322-G337 VanDerWaalsContact CB-O 3.27Å; N322-G337 WeakPolarHBondContact CB-O 3.27Å; N322-G337 PolarHBondContact ND2-O 3.11Å
323	V	96.4	Very high	96.6	Very high	8 Å²	8	30.3 Å²	30.3	5%	0.048	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-28.6	177.3	74.6	0	0	0	0	112.3	L153 T320 F321 Y325 H326 W360	L153-V323 HydrophobicContact CD1-CG1 3.85Å; L153-V323 HydrophobicContact CD2-CB 4.38Å; L153-V323 HydrophobicContact CD2-CG1 4.14Å; L153-V323 HydrophobicContact CD2-CG2 4.16Å; T320-V323 WeakPolarHBondContact O-CB 3.41Å; T320-V323 PolarHBondContact O-N 3.49Å; F321-V323 PolarHBondContact O-N 3.15Å; V323-Y325 PolarHBondContact O-N 3.1Å; V323-Y325 VanDerWaalsContact O-N 3.07Å; V323-H326 WeakPolarHBondContact O-CA 3.41Å; V323-H326 PolarHBondContact O-N 3.04Å; V323-W360 HydrophobicContact CG1-CH2 3.77Å; V323-W360 HydrophobicContact CG1-CZ2 4.11Å
324	G	97.5	Very high	96.6	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.01	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-17.2	176.9	0	0	0	0	0	113.9	S311 Y312 N317 N322 H326	S311-G324 CarbonylContact C-O 3.53Å; S311-G324 WeakPolarHBondContact CA-O 3.42Å; S311-G324 VanDerWaalsContact CB-O 3.26Å; S311-G324 WeakPolarHBondContact CB-O 3.47Å; Y312-G324 PolarHBondContact N-O 3.3Å; Y312-G324 CarbonylContact O-C 3.11Å; Y312-G324 VanDerWaalsContact O-C 3.24Å; Y312-G324 WeakPolarHBondContact O-CA 3.44Å; N317-G324 WeakPolarHBondContact OD1-CA 3.39Å; N317-G324 PolarHBondContact OD1-N 3.23Å; N322-G324 PolarHBondContact O-N 3.12Å; N322-G324 VanDerWaalsContact O-N 3.09Å; G324-H326 PolarHBondContact O-N 3.4Å
325	Y	98.3	Very high	96.7	Very high	40 Å²	40	28.7 Å²	28.7	16%	0.157	15%	0.149	C	C	.	.			trans	-75.2	52.1	166.5	-70.1	-103.5	0	0	0	110.5	Y313 N322 V323 E328 H329 L340 P341 K344	Y313-Y325 AromaticContact CD1-CD1 3.85Å; Y313-Y325 HydrophobicContact CD1-CD1 3.85Å; Y313-Y325 HydrophobicContact CD1-CD2 4.37Å; Y313-Y325 AromaticContact CD1-CE1 3.56Å; Y313-Y325 HydrophobicContact CD1-CE1 3.56Å; Y313-Y325 HydrophobicContact CD1-CE2 4.14Å; Y313-Y325 HydrophobicContact CD1-CG 4.24Å; Y313-Y325 AromaticContact CD1-CZ 3.72Å; Y313-Y325 AromaticContact CE1-CD1 3.44Å; Y313-Y325 HydrophobicContact CE1-CD1 3.44Å; Y313-Y325 VanDerWaalsContact CE1-CD1 3.44Å; Y313-Y325 AromaticContact CE1-CE1 3.52Å; Y313-Y325 HydrophobicContact CE1-CE1 3.52Å; Y313-Y325 AromaticContact CE1-CG 4Å; Y313-Y325 HydrophobicContact CE1-CG 4Å; N322-Y325 HydrophobicContact CB-CD2 3.79Å; N322-Y325 HydrophobicContact CB-CE2 4.25Å; N322-Y325 PolarHBondContact O-N 3.27Å; V323-Y325 PolarHBondContact O-N 3.1Å; V323-Y325 VanDerWaalsContact O-N 3.07Å; Y325-E328 WeakPolarHBondContact CA-OE2 3.4Å; Y325-E328 HydrophobicContact CD1-CG 4.47Å; Y325-E328 PolarHBondContact O-N 3.36Å; Y325-H329 WeakPolarHBondContact O-CB 3.33Å; Y325-H329 PolarHBondContact O-N 3.17Å; Y325-L340 HydrophobicContact CD1-CB 4.39Å; Y325-L340 HydrophobicContact CG-CB 4.03Å; Y325-P341 HydrophobicContact CD2-CG 4.36Å; Y325-P341 HydrophobicContact CE1-CB 3.96Å; Y325-P341 HydrophobicContact CE1-CG 4.03Å; Y325-P341 HydrophobicContact CE2-CG 3.84Å; Y325-K344 HydrophobicContact CD1-CB 4.31Å; Y325-K344 HydrophobicContact CD1-CD 4.41Å; Y325-K344 HydrophobicContact CE1-CB 4.21Å; Y325-K344 HydrophobicContact CE1-CD 3.94Å
326	H	98.3	Very high	96.9	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.009	12%	0.115	C	C	.	.	H	α-helix	trans	-75.4	-34.3	-162.8	-164.6	59	0	0	0	112.6	E299 H300 S311 V323 G324 H329 H330	E299-H326 WeakPolarHBondContact CB-CD2 3.48Å; E299-H326 WeakPolarHBondContact CB-NE2 3.46Å; E299-H326 HydrophobicContact CG-CB 4.1Å; E299-H326 VanDerWaalsContact CG-CD2 3.42Å; E299-H326 WeakPolarHBondContact CG-CD2 3.28Å; E299-H326 IonicContact OE2-CE1 2.85Å; E299-H326 IonicContact OE2-NE2 2.65Å; H300-H326 AromaticContact CD2-NE2 3.6Å; H300-H326 AromaticContact CE1-CD2 3.86Å; H300-H326 AromaticContact CE1-NE2 3.46Å; H300-H326 PolarHBondContact CE1-NE2 3.24Å; H300-H326 AromaticContact NE2-CD2 3.65Å; H300-H326 AromaticContact NE2-CE1 3.89Å; H300-H326 AromaticContact NE2-NE2 2.84Å; H300-H326 PolarHBondContact NE2-NE2 3.46Å; S311-H326 PolarHBondContact OG-N 3.48Å; V323-H326 WeakPolarHBondContact O-CA 3.41Å; V323-H326 PolarHBondContact O-N 3.04Å; G324-H326 PolarHBondContact O-N 3.4Å; H326-H329 AromaticContact ND1-CD2 3.91Å; H326-H329 WeakPolarHBondContact O-CB 3.27Å; H326-H329 PolarHBondContact O-N 3.14Å; H326-H330 AromaticContact CD2-CD2 3.67Å; H326-H330 AromaticContact CD2-NE2 3.86Å; H326-H330 AromaticContact CE1-CD2 3.37Å; H326-H330 PolarHBondContact CE1-CD2 2.8Å; H326-H330 AromaticContact CE1-NE2 3.17Å; H326-H330 PolarHBondContact CE1-NE2 2.95Å; H326-H330 AromaticContact CG-CD2 3.98Å; H326-H330 AromaticContact ND1-CD2 3.8Å; H326-H330 AromaticContact NE2-CD2 3.25Å; H326-H330 PolarHBondContact NE2-CD2 2.78Å; H326-H330 AromaticContact NE2-NE2 2.99Å; H326-H330 PolarHBondContact NE2-NE2 2.91Å; H326-H330 PolarHBondContact O-CD2 3.06Å; H326-H330 PolarHBondContact O-N 3.49Å
327	M	97.9	Very high	97	Very high	6 Å²	6	21.9 Å²	21.9	3%	0.03	11%	0.107	C	C	.	.	H	α-helix	trans	-66.5	-43.9	174.5	-166.7	148.4	55.1	0	0	111.4	T309 S311 H329 H330 D331 Y351 L354	T309-M327 HydrophobicContact CG2-CB 4.32Å; S311-M327 WeakPolarHBondContact OG-CB 3.06Å; S311-M327 PolarHBondContact OG-N 3.42Å; M327-H329 VanDerWaalsContact C-N 3.29Å; M327-H329 PolarHBondContact O-N 3Å; M327-H330 PolarHBondContact O-N 3.3Å; M327-D331 WeakPolarHBondContact O-CB 3.29Å; M327-D331 VanDerWaalsContact O-CG 3.23Å; M327-D331 PolarHBondContact O-N 2.85Å; M327-Y351 HydrophobicContact CE-CD1 4.08Å; M327-Y351 HydrophobicContact CG-CD1 4.15Å; M327-Y351 HydrophobicContact CG-CE1 4.2Å; M327-L354 HydrophobicContact CE-CB 3.4Å; M327-L354 VanDerWaalsContact CE-CB 3.4Å; M327-L354 HydrophobicContact CE-CD1 3.36Å; M327-L354 HydrophobicContact CE-CG 3.98Å; M327-L354 HydrophobicContact CG-CD1 4.5Å; M327-L354 HydrophobicContact SD-CB 4.16Å; M327-L354 HydrophobicContact SD-CD1 3.3Å; M327-L354 WeakPolarHBondContact SD-CD1 3.35Å; M327-L354 HydrophobicContact SD-CG 4.31Å
328	E	98.5	Very high	97.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.5	-40.2	172.9	-62	84.5	161.8	0	0	111.1	S311 Y313 Y325 D331 F332 L340 V343 K344 Y351	S311-E328 PolarHBondContact OG-OE2 3.1Å; Y313-E328 WeakPolarHBondContact CE1-OE1 3.41Å; Y313-E328 PolarHBondContact OH-OE1 3.01Å; Y325-E328 WeakPolarHBondContact CA-OE2 3.4Å; Y325-E328 HydrophobicContact CD1-CG 4.47Å; Y325-E328 PolarHBondContact O-N 3.36Å; E328-D331 CarbonylContact O-C 3.4Å; E328-D331 PolarHBondContact O-N 3.4Å; E328-F332 PolarHBondContact O-N 2.74Å; E328-L340 HydrophobicContact CB-CB 4.47Å; E328-L340 HydrophobicContact CB-CD2 4.23Å; E328-V343 HydrophobicContact CB-CB 4.43Å; E328-V343 HydrophobicContact CB-CG1 4.2Å; E328-V343 HydrophobicContact CG-CB 4.49Å; E328-V343 HydrophobicContact CG-CG1 4.27Å; E328-K344 HydrophobicContact CG-CB 4.21Å; E328-K344 WeakPolarHBondContact OE1-CB 3.25Å; E328-Y351 HydrophobicContact CG-CD1 4.19Å; E328-Y351 HydrophobicContact CG-CD2 4.27Å; E328-Y351 HydrophobicContact CG-CE1 3.89Å; E328-Y351 HydrophobicContact CG-CE2 3.95Å; E328-Y351 HydrophobicContact CG-CG 4.37Å
329	H	98.4	Very high	97.4	Very high	2 Å²	2	18 Å²	18	1%	0.009	10%	0.097	C	C	.	.	H	α-helix	trans	-62.8	-49	176	174	58.6	0	0	0	112.1	H156 H160 H199 Y325 H326 M327 D331 F332 P333 L340	H156-H329 AromaticContact CE1-CD2 3.58Å; H156-H329 AromaticContact CE1-CE1 3.46Å; H156-H329 PolarHBondContact CE1-CE1 3.26Å; H156-H329 VanDerWaalsContact CE1-CE1 3.46Å; H156-H329 AromaticContact CE1-NE2 3.08Å; H156-H329 PolarHBondContact CE1-NE2 2.77Å; H156-H329 AromaticContact NE2-CD2 3.65Å; H156-H329 AromaticContact NE2-CE1 3.83Å; H156-H329 AromaticContact NE2-NE2 3.06Å; H156-H329 PolarHBondContact NE2-NE2 2.94Å; H160-H329 AromaticContact CD2-CE1 3.49Å; H160-H329 PolarHBondContact CD2-CE1 2.94Å; H160-H329 VanDerWaalsContact CD2-CE1 3.49Å; H160-H329 AromaticContact CE1-CE1 3.87Å; H160-H329 AromaticContact NE2-CE1 3.24Å; H160-H329 PolarHBondContact NE2-CE1 3.25Å; H160-H329 AromaticContact NE2-NE2 3.4Å; H160-H329 PolarHBondContact NE2-NE2 2.7Å; H199-H329 AromaticContact CE1-CD2 3.39Å; H199-H329 PolarHBondContact CE1-CD2 3.08Å; H199-H329 AromaticContact CE1-NE2 3.08Å; H199-H329 PolarHBondContact CE1-NE2 2.9Å; H199-H329 AromaticContact NE2-CD2 3.73Å; H199-H329 AromaticContact NE2-CE1 3.9Å; H199-H329 AromaticContact NE2-NE2 2.98Å; H199-H329 PolarHBondContact NE2-NE2 2.84Å; Y325-H329 WeakPolarHBondContact O-CB 3.33Å; Y325-H329 PolarHBondContact O-N 3.17Å; H326-H329 AromaticContact ND1-CD2 3.91Å; H326-H329 WeakPolarHBondContact O-CB 3.27Å; H326-H329 PolarHBondContact O-N 3.14Å; M327-H329 VanDerWaalsContact C-N 3.29Å; M327-H329 PolarHBondContact O-N 3Å; H329-D331 VanDerWaalsContact C-N 3.27Å; H329-D331 PolarHBondContact O-N 3.42Å; H329-F332 CarbonylContact O-C 3.33Å; H329-F332 PolarHBondContact O-N 3.44Å; H329-P333 WeakPolarHBondContact O-CA 3.44Å; H329-P333 VanDerWaalsContact O-CD 3.23Å; H329-P333 WeakPolarHBondContact O-CD 3.32Å; H329-L340 HydrophobicContact CB-CD1 3.81Å
330	H	98.1	Very high	97.6	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.009	8%	0.077	C	C	.	.	H	α-helix	trans	-64.2	-33.9	175.9	-87.6	-105.6	0	0	0	112.5	H86 R90 H198 H199 H300 H326 M327 F332	H86-H330 HydrophobicContact CB-CB 4.37Å; H86-H330 AromaticContact CD2-ND1 3.98Å; H86-H330 WeakPolarHBondContact CE1-CB 3.17Å; H86-H330 WeakPolarHBondContact ND1-CB 3.23Å; H86-H330 AromaticContact NE2-CG 3.91Å; H86-H330 AromaticContact NE2-ND1 3.96Å; R90-H330 PolarHBondContact NH2-O 2.92Å; H198-H330 AromaticContact CD2-CE1 3.81Å; H198-H330 AromaticContact NE2-CE1 3.32Å; H198-H330 PolarHBondContact NE2-CE1 3.14Å; H198-H330 VanDerWaalsContact NE2-CE1 3.32Å; H198-H330 AromaticContact NE2-NE2 3.6Å; H199-H330 AromaticContact CE1-CD2 3.48Å; H199-H330 PolarHBondContact CE1-CD2 2.72Å; H199-H330 VanDerWaalsContact CE1-CD2 3.48Å; H199-H330 AromaticContact CE1-CE1 3.49Å; H199-H330 PolarHBondContact CE1-CE1 3.37Å; H199-H330 VanDerWaalsContact CE1-CE1 3.49Å; H199-H330 AromaticContact CE1-CG 3.73Å; H199-H330 AromaticContact CE1-ND1 3.75Å; H199-H330 AromaticContact CE1-NE2 3.26Å; H199-H330 PolarHBondContact CE1-NE2 3.37Å; H199-H330 VanDerWaalsContact CE1-NE2 3.26Å; H199-H330 AromaticContact ND1-CD2 3.88Å; H199-H330 AromaticContact ND1-CE1 3.37Å; H199-H330 PolarHBondContact ND1-CE1 3.17Å; H199-H330 AromaticContact ND1-CG 3.67Å; H199-H330 AromaticContact ND1-ND1 3.35Å; H199-H330 PolarHBondContact ND1-ND1 3.48Å; H199-H330 AromaticContact ND1-NE2 3.63Å; H300-H330 AromaticContact CE1-CE1 3.45Å; H300-H330 PolarHBondContact CE1-CE1 3.49Å; H300-H330 VanDerWaalsContact CE1-CE1 3.45Å; H300-H330 AromaticContact CE1-NE2 3.54Å; H300-H330 AromaticContact NE2-CE1 3.33Å; H300-H330 PolarHBondContact NE2-CE1 3.23Å; H300-H330 VanDerWaalsContact NE2-CE1 3.33Å; H300-H330 AromaticContact NE2-NE2 3.18Å; H300-H330 PolarHBondContact NE2-NE2 3.43Å; H300-H330 VanDerWaalsContact NE2-NE2 3.18Å; H326-H330 AromaticContact CD2-CD2 3.67Å; H326-H330 AromaticContact CD2-NE2 3.86Å; H326-H330 AromaticContact CE1-CD2 3.37Å; H326-H330 PolarHBondContact CE1-CD2 2.8Å; H326-H330 AromaticContact CE1-NE2 3.17Å; H326-H330 PolarHBondContact CE1-NE2 2.95Å; H326-H330 AromaticContact CG-CD2 3.98Å; H326-H330 AromaticContact ND1-CD2 3.8Å; H326-H330 AromaticContact NE2-CD2 3.25Å; H326-H330 PolarHBondContact NE2-CD2 2.78Å; H326-H330 AromaticContact NE2-NE2 2.99Å; H326-H330 PolarHBondContact NE2-NE2 2.91Å; H326-H330 PolarHBondContact O-CD2 3.06Å; H326-H330 PolarHBondContact O-N 3.49Å; M327-H330 PolarHBondContact O-N 3.3Å; H330-F332 VanDerWaalsContact C-N 3.34Å
331	D	98.3	Very high	97.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-70.6	-30.7	172.4	-69.9	-5	0	0	0	111.8	H86 R89 R90 M327 E328 H329 Y351	H86-D331 VanDerWaalsContact CA-OD1 3.27Å; H86-D331 WeakPolarHBondContact CA-OD1 3.47Å; H86-D331 WeakPolarHBondContact CB-OD1 3.46Å; H86-D331 IonicContact CE1-OD1 2.71Å; H86-D331 IonicContact CG-OD1 2.66Å; H86-D331 IonicContact ND1-OD1 2.74Å; H86-D331 PolarHBondContact ND1-OD1 3.48Å; R89-D331 IonicContact CZ-OD1 3.54Å; R89-D331 IonicContact CZ-OD2 3.66Å; R89-D331 IonicContact NE-OD1 2.64Å; R89-D331 PolarHBondContact NE-OD1 3.4Å; R89-D331 IonicContact NE-OD2 3.48Å; R89-D331 PolarHBondContact NE-OD2 2.96Å; R89-D331 IonicContact NH2-OD1 3.83Å; R89-D331 PolarHBondContact NH2-OD1 3.49Å; R89-D331 IonicContact NH2-OD2 2.85Å; R89-D331 PolarHBondContact NH2-OD2 3.25Å; R90-D331 WeakPolarHBondContact CB-O 3.27Å; R90-D331 VanDerWaalsContact CD-O 3.31Å; R90-D331 WeakPolarHBondContact CD-O 3.29Å; R90-D331 WeakPolarHBondContact CG-O 3.39Å; R90-D331 PolarHBondContact NE-O 3.28Å; R90-D331 PolarHBondContact NH2-O 3.48Å; R90-D331 VanDerWaalsContact NH2-O 3.14Å; M327-D331 WeakPolarHBondContact O-CB 3.29Å; M327-D331 VanDerWaalsContact O-CG 3.23Å; M327-D331 PolarHBondContact O-N 2.85Å; E328-D331 CarbonylContact O-C 3.4Å; E328-D331 PolarHBondContact O-N 3.4Å; H329-D331 VanDerWaalsContact C-N 3.27Å; H329-D331 PolarHBondContact O-N 3.42Å; D331-Y351 WeakPolarHBondContact OD2-CE1 3.47Å; D331-Y351 PolarHBondContact OD2-OH 2.86Å
332	F	98.1	Very high	97.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.103	C	C	.	.			trans	-143.5	65.8	-175.2	-59.7	-76	0	0	0	113.7	R90 I93 L94 I100 M104 E328 H329 H330 S334 I335 V343 Y351	R90-F332 HydrophobicContact CB-CE1 4.48Å; R90-F332 HydrophobicContact CG-CD1 4.09Å; R90-F332 HydrophobicContact CG-CE1 3.63Å; R90-F332 HydrophobicContact CG-CZ 4.16Å; I93-F332 HydrophobicContact CB-CE2 4.43Å; I93-F332 HydrophobicContact CB-CZ 3.91Å; I93-F332 HydrophobicContact CD1-CE2 4.1Å; I93-F332 HydrophobicContact CD1-CZ 4.39Å; I93-F332 HydrophobicContact CG2-CE2 3.94Å; I93-F332 HydrophobicContact CG2-CZ 3.52Å; L94-F332 HydrophobicContact CD1-CE1 4.15Å; L94-F332 HydrophobicContact CD2-CE1 3.73Å; L94-F332 HydrophobicContact CD2-CZ 4.42Å; L94-F332 HydrophobicContact CG-CE1 3.73Å; L94-F332 HydrophobicContact CG-CZ 4.31Å; I100-F332 HydrophobicContact CD1-CZ 4.45Å; I100-F332 HydrophobicContact CG2-CD1 3.96Å; I100-F332 HydrophobicContact CG2-CE1 3.8Å; I100-F332 HydrophobicContact CG2-CE2 4.4Å; I100-F332 HydrophobicContact CG2-CG 4.32Å; I100-F332 HydrophobicContact CG2-CZ 4.04Å; M104-F332 HydrophobicContact CE-CD1 3.66Å; M104-F332 HydrophobicContact CE-CE1 4.18Å; E328-F332 PolarHBondContact O-N 2.74Å; H329-F332 CarbonylContact O-C 3.33Å; H329-F332 PolarHBondContact O-N 3.44Å; H330-F332 VanDerWaalsContact C-N 3.34Å; F332-S334 PolarHBondContact O-N 2.89Å; F332-I335 HydrophobicContact CB-CB 4.3Å; F332-I335 HydrophobicContact CB-CD1 3.53Å; F332-I335 HydrophobicContact CB-CG1 3.89Å; F332-I335 HydrophobicContact CD1-CD1 4.29Å; F332-I335 HydrophobicContact CG-CD1 3.92Å; F332-I335 WeakPolarHBondContact O-CB 3.08Å; F332-I335 PolarHBondContact O-N 3.07Å; F332-V343 HydrophobicContact CD2-CG1 3.61Å; F332-V343 HydrophobicContact CE2-CG1 3.86Å; F332-Y351 WeakPolarHBondContact CE2-OH 3.2Å
333	P	96.3	Very high	97.9	Very high	12 Å²	12	17.1 Å²	17.1	8%	0.078	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-11.8	-171	26.5	-35.3	0	0	0	113	H160 H329 I335	H160-P333 WeakPolarHBondContact CB-O 3.45Å; H329-P333 WeakPolarHBondContact O-CA 3.44Å; H329-P333 VanDerWaalsContact O-CD 3.23Å; H329-P333 WeakPolarHBondContact O-CD 3.32Å; P333-I335 VanDerWaalsContact C-N 3.32Å
334	S	95.3	Very high	98	Very high	31 Å²	31	18.2 Å²	18.2	22%	0.217	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-1.3	174	58.8	0	0	0	0	113.9	F332	F332-S334 PolarHBondContact O-N 2.89Å
335	I	98.3	Very high	98	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-96.5	125.5	175	-62.7	-179.6	0	0	0	107.3	I100 L103 M104 F332 P333 K339 L340 V343	I100-I335 HydrophobicContact CG2-CD1 3.71Å; L103-I335 HydrophobicContact CB-CD1 3.85Å; L103-I335 HydrophobicContact CB-CG1 4.17Å; L103-I335 HydrophobicContact CB-CG2 4.06Å; M104-I335 HydrophobicContact CB-CG1 4.43Å; M104-I335 HydrophobicContact CG-CD1 4.19Å; M104-I335 HydrophobicContact CG-CG1 3.7Å; F332-I335 HydrophobicContact CB-CB 4.3Å; F332-I335 HydrophobicContact CB-CD1 3.53Å; F332-I335 HydrophobicContact CB-CG1 3.89Å; F332-I335 HydrophobicContact CD1-CD1 4.29Å; F332-I335 HydrophobicContact CG-CD1 3.92Å; F332-I335 WeakPolarHBondContact O-CB 3.08Å; F332-I335 PolarHBondContact O-N 3.07Å; P333-I335 VanDerWaalsContact C-N 3.32Å; I335-K339 HydrophobicContact CG2-CB 3.66Å; I335-L340 HydrophobicContact CB-CD2 4.13Å; I335-L340 HydrophobicContact CG2-CD2 3.99Å; I335-V343 HydrophobicContact CD1-CG2 3.54Å; I335-V343 HydrophobicContact CG2-CG2 4.12Å
336	P	97.9	Very high	98	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.			trans	-64.2	152.6	179.1	25.8	-33.4	0	0	0	111.4	G105 D107 V162 S338 K339 L340	G105-P336 WeakPolarHBondContact O-CD 3.45Å; D107-P336 HydrophobicContact CB-CB 3.73Å; D107-P336 HydrophobicContact CB-CG 3.99Å; V162-P336 HydrophobicContact CB-CB 3.97Å; V162-P336 HydrophobicContact CG1-CB 4.41Å; V162-P336 HydrophobicContact CG2-CB 3.98Å; P336-S338 PolarHBondContact O-N 3.11Å; P336-S338 VanDerWaalsContact O-N 3.07Å; P336-K339 HydrophobicContact CG-CB 4.38Å; P336-K339 HydrophobicContact CG-CD 3.96Å; P336-K339 HydrophobicContact CG-CG 4.12Å; P336-K339 PolarHBondContact O-N 3.36Å; P336-L340 PolarHBondContact O-N 2.59Å
337	G	97.6	Very high	98	Very high	2 Å²	2	27 Å²	27	2%	0.021	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-51.5	-35.8	179.2	0	0	0	0	0	114	D157 F321 N322 K339 L340	D157-G337 PolarHBondContact OD2-N 2.89Å; D157-G337 VanDerWaalsContact OD2-N 3.11Å; F321-G337 WeakPolarHBondContact O-CA 3.34Å; N322-G337 VanDerWaalsContact CB-O 3.27Å; N322-G337 WeakPolarHBondContact CB-O 3.27Å; N322-G337 PolarHBondContact ND2-O 3.11Å; G337-K339 PolarHBondContact O-N 3.11Å; G337-K339 VanDerWaalsContact O-N 3.07Å; G337-L340 PolarHBondContact O-N 3.27Å
338	S	97.8	Very high	98	Very high	57 Å²	57	27.9 Å²	27.9	40%	0.399	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-60.2	-19.8	177.3	58.8	0	0	0	0	114.6	D107 P336	D107-S338 VanDerWaalsContact OD2-CB 3.24Å; D107-S338 WeakPolarHBondContact OD2-CB 3.22Å; D107-S338 PolarHBondContact OD2-OG 3.41Å; P336-S338 PolarHBondContact O-N 3.11Å; P336-S338 VanDerWaalsContact O-N 3.07Å
339	K	98.4	Very high	98	Very high	54 Å²	54	31.9 Å²	31.9	24%	0.235	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-110.2	-8.8	-179.2	-64.4	-178.6	-172.6	175.2	0	114.1	L103 I335 P336 G337 P341 Q342 V343	L103-K339 HydrophobicContact CB-CD 4.21Å; L103-K339 HydrophobicContact CD2-CD 4.27Å; L103-K339 WeakPolarHBondContact O-CD 3.35Å; L103-K339 PolarHBondContact O-NZ 2.84Å; I335-K339 HydrophobicContact CG2-CB 3.66Å; P336-K339 HydrophobicContact CG-CB 4.38Å; P336-K339 HydrophobicContact CG-CD 3.96Å; P336-K339 HydrophobicContact CG-CG 4.12Å; P336-K339 PolarHBondContact O-N 3.36Å; G337-K339 PolarHBondContact O-N 3.11Å; G337-K339 VanDerWaalsContact O-N 3.07Å; K339-P341 VanDerWaalsContact C-CD 3.41Å; K339-P341 VanDerWaalsContact C-N 3.32Å; K339-Q342 WeakPolarHBondContact O-CA 3.24Å; K339-Q342 VanDerWaalsContact O-CB 3.3Å; K339-Q342 WeakPolarHBondContact O-CB 3.37Å; K339-Q342 PolarHBondContact O-N 3.08Å; K339-V343 PolarHBondContact O-N 2.54Å
340	L	98.4	Very high	97.9	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.016	17%	0.17	C	C	.	.	H	α-helix	trans	-57.4	-34.7	177.5	-62.7	178.3	0	0	0	114.2	Y325 E328 H329 I335 P336 G337 Q342 V343 K344	Y325-L340 HydrophobicContact CD1-CB 4.39Å; Y325-L340 HydrophobicContact CG-CB 4.03Å; E328-L340 HydrophobicContact CB-CB 4.47Å; E328-L340 HydrophobicContact CB-CD2 4.23Å; H329-L340 HydrophobicContact CB-CD1 3.81Å; I335-L340 HydrophobicContact CB-CD2 4.13Å; I335-L340 HydrophobicContact CG2-CD2 3.99Å; P336-L340 PolarHBondContact O-N 2.59Å; G337-L340 PolarHBondContact O-N 3.27Å; L340-Q342 PolarHBondContact O-N 2.74Å; L340-V343 HydrophobicContact CD2-CG2 4.46Å; L340-V343 WeakPolarHBondContact O-CB 3.38Å; L340-V343 PolarHBondContact O-N 2.99Å; L340-K344 PolarHBondContact O-N 3.38Å; L340-K344 VanDerWaalsContact O-N 3.11Å
341	P	98.3	Very high	97.9	Very high	41 Å²	41	33.1 Å²	33.1	27%	0.266	17%	0.17	S	C	.	.	H	α-helix	trans	-58	-30.3	171.6	-25	33.4	0	0	0	113.9	Y325 K339 K345	Y325-P341 HydrophobicContact CD2-CG 4.36Å; Y325-P341 HydrophobicContact CE1-CB 3.96Å; Y325-P341 HydrophobicContact CE1-CG 4.03Å; Y325-P341 HydrophobicContact CE2-CG 3.84Å; K339-P341 VanDerWaalsContact C-CD 3.41Å; K339-P341 VanDerWaalsContact C-N 3.32Å; P341-K345 PolarHBondContact O-N 3.06Å; P341-K345 VanDerWaalsContact O-N 3.12Å
342	Q	98.6	Very high	97.9	Very high	99 Å²	99	37.8 Å²	37.8	46%	0.463	20%	0.195	S	C	.	.	H	α-helix	trans	-74.3	-34.8	176.5	-58	179	3.3	0	0	111.5	L103 K339 L340 K345 I346	L103-Q342 HydrophobicContact CD1-CB 3.98Å; K339-Q342 WeakPolarHBondContact O-CA 3.24Å; K339-Q342 VanDerWaalsContact O-CB 3.3Å; K339-Q342 WeakPolarHBondContact O-CB 3.37Å; K339-Q342 PolarHBondContact O-N 3.08Å; L340-Q342 PolarHBondContact O-N 2.74Å; Q342-K345 PolarHBondContact O-N 3.11Å; Q342-I346 VanDerWaalsContact O-CG1 3.28Å; Q342-I346 WeakPolarHBondContact O-CG1 3.43Å; Q342-I346 PolarHBondContact O-N 3.21Å
343	V	98.6	Very high	97.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.6	-50.3	173.2	178.5	0	0	0	0	110.1	I100 L103 E328 F332 I335 K339 L340 K345 I346 A347 Y351	I100-V343 HydrophobicContact CD1-CG1 4.47Å; L103-V343 HydrophobicContact CD1-CG2 3.84Å; E328-V343 HydrophobicContact CB-CB 4.43Å; E328-V343 HydrophobicContact CB-CG1 4.2Å; E328-V343 HydrophobicContact CG-CB 4.49Å; E328-V343 HydrophobicContact CG-CG1 4.27Å; F332-V343 HydrophobicContact CD2-CG1 3.61Å; F332-V343 HydrophobicContact CE2-CG1 3.86Å; I335-V343 HydrophobicContact CD1-CG2 3.54Å; I335-V343 HydrophobicContact CG2-CG2 4.12Å; K339-V343 PolarHBondContact O-N 2.54Å; L340-V343 HydrophobicContact CD2-CG2 4.46Å; L340-V343 WeakPolarHBondContact O-CB 3.38Å; L340-V343 PolarHBondContact O-N 2.99Å; V343-K345 VanDerWaalsContact C-N 3.28Å; V343-K345 PolarHBondContact O-N 3.43Å; V343-I346 PolarHBondContact O-N 3.25Å; V343-A347 PolarHBondContact O-N 3.07Å; V343-Y351 HydrophobicContact CG1-CE2 4.14Å
344	K	98.2	Very high	97.7	Very high	31 Å²	31	43.7 Å²	43.7	14%	0.135	23%	0.234	C	C	.	.	H	α-helix	trans	-55.3	-45.7	175.2	-174.9	177.7	178.4	55.5	0	111.4	Y313 Y325 E328 L340 I346 A347 A348 Y351 D352	Y313-K344 HydrophobicContact CD1-CD 4.17Å; Y313-K344 HydrophobicContact CE1-CD 3.52Å; Y313-K344 HydrophobicContact CE2-CD 4.2Å; Y313-K344 VanDerWaalsContact CZ-CE 3.41Å; Y313-K344 VanDerWaalsContact CZ-NZ 3.35Å; Y313-K344 PolarHBondContact OH-NZ 3.08Å; Y313-K344 VanDerWaalsContact OH-NZ 3.08Å; Y325-K344 HydrophobicContact CD1-CB 4.31Å; Y325-K344 HydrophobicContact CD1-CD 4.41Å; Y325-K344 HydrophobicContact CE1-CB 4.21Å; Y325-K344 HydrophobicContact CE1-CD 3.94Å; E328-K344 HydrophobicContact CG-CB 4.21Å; E328-K344 WeakPolarHBondContact OE1-CB 3.25Å; L340-K344 PolarHBondContact O-N 3.38Å; L340-K344 VanDerWaalsContact O-N 3.11Å; K344-I346 PolarHBondContact O-N 3.26Å; K344-A347 CarbonylContact O-C 3.5Å; K344-A348 WeakPolarHBondContact O-CA 3.21Å; K344-A348 WeakPolarHBondContact O-CB 3.46Å; K344-A348 PolarHBondContact O-N 2.93Å; K344-Y351 HydrophobicContact CB-CD2 4.5Å; K344-Y351 HydrophobicContact CG-CD2 4.4Å; K344-D352 WeakPolarHBondContact CE-OD1 3.42Å; K344-D352 IonicContact NZ-OD1 3.13Å; K344-D352 PolarHBondContact NZ-OD1 3.31Å
345	K	98.5	Very high	97.8	Very high	176 Å²	176	43.5 Å²	43.5	77%	0.765	23%	0.232	S	C	*	.	H	α-helix	trans	-63.6	-39.6	-179.1	-174.7	177.9	178.4	-179.6	0	113.2	P341 Q342 V343	P341-K345 PolarHBondContact O-N 3.06Å; P341-K345 VanDerWaalsContact O-N 3.12Å; Q342-K345 PolarHBondContact O-N 3.11Å; V343-K345 VanDerWaalsContact C-N 3.28Å; V343-K345 PolarHBondContact O-N 3.43Å
346	I	98.6	Very high	97.7	Very high	50 Å²	50	47.9 Å²	47.9	26%	0.256	25%	0.252	S	S	.	.	H	α-helix	trans	-72.5	-42.6	-178	-68.9	163.6	0	0	0	111.1	Y97 E99 I100 L103 Q342 V343 K344	Y97-I346 HydrophobicContact CD1-CG2 3.84Å; Y97-I346 HydrophobicContact CD2-CG2 4.39Å; Y97-I346 HydrophobicContact CG-CG2 3.75Å; E99-I346 HydrophobicContact CG-CD1 4.44Å; E99-I346 HydrophobicContact CG-CG2 4.36Å; I100-I346 HydrophobicContact CD1-CB 4.39Å; I100-I346 HydrophobicContact CD1-CG2 3.94Å; I100-I346 HydrophobicContact CG1-CB 4.33Å; I100-I346 HydrophobicContact CG1-CD1 4.14Å; I100-I346 HydrophobicContact CG1-CG2 3.9Å; L103-I346 HydrophobicContact CD1-CD1 4.09Å; Q342-I346 VanDerWaalsContact O-CG1 3.28Å; Q342-I346 WeakPolarHBondContact O-CG1 3.43Å; Q342-I346 PolarHBondContact O-N 3.21Å; V343-I346 PolarHBondContact O-N 3.25Å; K344-I346 PolarHBondContact O-N 3.26Å
347	A	98.3	Very high	97.6	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	41.5	-175.2	0	0	0	0	0	111.8	I93 Y97 I100 V343 K344 E349 Y350 Y351	I93-A347 HydrophobicContact CD1-CB 4.21Å; I93-A347 HydrophobicContact CG1-CB 4.28Å; I93-A347 HydrophobicContact CG2-CB 3.88Å; Y97-A347 HydrophobicContact CD2-CB 3.98Å; Y97-A347 HydrophobicContact CE2-CB 4.18Å; I100-A347 HydrophobicContact CD1-CB 4.25Å; V343-A347 PolarHBondContact O-N 3.07Å; K344-A347 CarbonylContact O-C 3.5Å; A347-E349 PolarHBondContact O-N 2.62Å; A347-Y350 HydrophobicContact CB-CD2 3.89Å; A347-Y350 WeakPolarHBondContact O-CB 3.5Å; A347-Y350 PolarHBondContact O-N 2.89Å; A347-Y351 HydrophobicContact CB-CE2 3.96Å; A347-Y351 WeakPolarHBondContact O-CD2 3.31Å
348	A	98.1	Very high	97.3	Very high	26 Å²	26	54.2 Å²	54.2	22%	0.215	29%	0.289	C	S	.	.	H	α-helix	trans	-56.8	-36.5	-170.2	0	0	0	0	0	113	K344 Y350 Y351 D352	K344-A348 WeakPolarHBondContact O-CA 3.21Å; K344-A348 WeakPolarHBondContact O-CB 3.46Å; K344-A348 PolarHBondContact O-N 2.93Å; A348-Y350 PolarHBondContact O-N 3.29Å; A348-Y350 VanDerWaalsContact O-N 3.14Å; A348-Y351 PolarHBondContact O-N 2.9Å; A348-D352 WeakPolarHBondContact O-CB 3.12Å; A348-D352 VanDerWaalsContact O-CG 3.29Å; A348-D352 PolarHBondContact O-N 2.96Å
349	E	97.6	Very high	97.2	Very high	83 Å²	83	53.6 Å²	53.6	39%	0.388	28%	0.284	S	S	.	.	H	α-helix	trans	-63.4	-22	179.9	73.3	-84.8	-156.2	0	0	113.8	K96 Y97 A347	K96-E349 IonicContact NZ-OE1 2.85Å; K96-E349 PolarHBondContact NZ-OE1 3.39Å; Y97-E349 VanDerWaalsContact CE2-OE1 3.22Å; Y97-E349 WeakPolarHBondContact CE2-OE1 3.45Å; Y97-E349 PolarHBondContact OH-OE1 2.8Å; A347-E349 PolarHBondContact O-N 2.62Å
350	Y	97.8	Very high	97.1	Very high	29 Å²	29	51.1 Å²	51.1	11%	0.114	27%	0.274	C	S	.	.	H	α-helix	trans	-81.8	-19.7	176	-69.1	-91.5	0	0	0	112.9	R89 E92 I93 K96 Y97 A347 A348 L354	R89-Y350 HydrophobicContact CG-CD1 3.93Å; E92-Y350 HydrophobicContact CB-CE1 4.28Å; E92-Y350 HydrophobicContact CG-CE1 4.02Å; E92-Y350 WeakPolarHBondContact CG-OH 3.34Å; E92-Y350 PolarHBondContact OE1-OH 3.43Å; I93-Y350 HydrophobicContact CD1-CD1 4.07Å; I93-Y350 HydrophobicContact CD1-CD2 4.16Å; I93-Y350 HydrophobicContact CD1-CG 3.78Å; I93-Y350 HydrophobicContact CG1-CD1 3.7Å; I93-Y350 HydrophobicContact CG1-CD2 3.66Å; I93-Y350 HydrophobicContact CG1-CE1 3.8Å; I93-Y350 HydrophobicContact CG1-CE2 3.75Å; I93-Y350 HydrophobicContact CG1-CG 3.61Å; K96-Y350 HydrophobicContact CD-CE2 4.3Å; Y97-Y350 HydrophobicContact CE2-CE2 4.04Å; A347-Y350 HydrophobicContact CB-CD2 3.89Å; A347-Y350 WeakPolarHBondContact O-CB 3.5Å; A347-Y350 PolarHBondContact O-N 2.89Å; A348-Y350 PolarHBondContact O-N 3.29Å; A348-Y350 VanDerWaalsContact O-N 3.14Å; Y350-L354 WeakPolarHBondContact O-CD1 3.3Å
351	Y	98	Very high	97	Very high	1 Å²	1	56.5 Å²	56.5	0%	0.004	30%	0.297	C	S	.	.	H	α-helix	trans	-116.6	-33.7	-171.7	-56.6	-66.2	0	0	0	113.4	I93 M327 E328 D331 F332 V343 K344 A347 A348 S353 L354	I93-Y351 HydrophobicContact CD1-CE2 4.31Å; I93-Y351 WeakPolarHBondContact CD1-OH 2.99Å; M327-Y351 HydrophobicContact CE-CD1 4.08Å; M327-Y351 HydrophobicContact CG-CD1 4.15Å; M327-Y351 HydrophobicContact CG-CE1 4.2Å; E328-Y351 HydrophobicContact CG-CD1 4.19Å; E328-Y351 HydrophobicContact CG-CD2 4.27Å; E328-Y351 HydrophobicContact CG-CE1 3.89Å; E328-Y351 HydrophobicContact CG-CE2 3.95Å; E328-Y351 HydrophobicContact CG-CG 4.37Å; D331-Y351 WeakPolarHBondContact OD2-CE1 3.47Å; D331-Y351 PolarHBondContact OD2-OH 2.86Å; F332-Y351 WeakPolarHBondContact CE2-OH 3.2Å; V343-Y351 HydrophobicContact CG1-CE2 4.14Å; K344-Y351 HydrophobicContact CB-CD2 4.5Å; K344-Y351 HydrophobicContact CG-CD2 4.4Å; A347-Y351 HydrophobicContact CB-CE2 3.96Å; A347-Y351 WeakPolarHBondContact O-CD2 3.31Å; A348-Y351 PolarHBondContact O-N 2.9Å; Y351-S353 VanDerWaalsContact C-N 3.25Å; Y351-S353 PolarHBondContact O-N 2.77Å; Y351-L354 PolarHBondContact O-N 2.8Å; Y351-L354 VanDerWaalsContact O-N 3.11Å
352	D	96.5	Very high	96.9	Very high	98 Å²	98	58.7 Å²	58.7	52%	0.524	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-20.4	-171.3	-71.6	-5.4	0	0	0	113.7	K344 A348	K344-D352 WeakPolarHBondContact CE-OD1 3.42Å; K344-D352 IonicContact NZ-OD1 3.13Å; K344-D352 PolarHBondContact NZ-OD1 3.31Å; A348-D352 WeakPolarHBondContact O-CB 3.12Å; A348-D352 VanDerWaalsContact O-CG 3.29Å; A348-D352 PolarHBondContact O-N 2.96Å
353	S	95.4	Very high	96.9	Very high	100 Å²	100	54 Å²	54	70%	0.699	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-10.6	174.7	60.7	0	0	0	0	113.7	Y351	Y351-S353 VanDerWaalsContact C-N 3.25Å; Y351-S353 PolarHBondContact O-N 2.77Å
354	L	96.3	Very high	96.8	Very high	36 Å²	36	54.7 Å²	54.7	19%	0.188	29%	0.286	C	S	.	.	S	Bend	trans	-86.4	148.8	-176.9	-64.7	179.9	0	0	0	110.8	M327 Y350 Y351	M327-L354 HydrophobicContact CE-CB 3.4Å; M327-L354 VanDerWaalsContact CE-CB 3.4Å; M327-L354 HydrophobicContact CE-CD1 3.36Å; M327-L354 HydrophobicContact CE-CG 3.98Å; M327-L354 HydrophobicContact CG-CD1 4.5Å; M327-L354 HydrophobicContact SD-CB 4.16Å; M327-L354 HydrophobicContact SD-CD1 3.3Å; M327-L354 WeakPolarHBondContact SD-CD1 3.35Å; M327-L354 HydrophobicContact SD-CG 4.31Å; Y350-L354 WeakPolarHBondContact O-CD1 3.3Å; Y351-L354 PolarHBondContact O-N 2.8Å; Y351-L354 VanDerWaalsContact O-N 3.11Å
355	P	96.1	Very high	96.8	Very high	28 Å²	28	59.3 Å²	59.3	18%	0.182	30%	0.302	C	S	.	.			trans	-65	143.5	179.8	29.2	-36.2	0	0	0	110.8	L304 H307 Y310	L304-P355 HydrophobicContact CD2-CB 4.19Å; L304-P355 HydrophobicContact CD2-CG 4.22Å; H307-P355 HydrophobicContact CB-CG 3.91Å; H307-P355 VanDerWaalsContact CE1-CD 3.43Å; H307-P355 WeakPolarHBondContact CE1-CD 3.11Å; H307-P355 WeakPolarHBondContact ND1-CD 3.33Å; H307-P355 WeakPolarHBondContact ND1-CG 3.19Å; Y310-P355 HydrophobicContact CD1-CB 3.92Å; Y310-P355 HydrophobicContact CD1-CG 3.92Å; Y310-P355 HydrophobicContact CE1-CB 3.68Å; Y310-P355 HydrophobicContact CE1-CG 3.57Å
356	Q	96.4	Very high	96.7	Very high	91 Å²	91	53.2 Å²	53.2	43%	0.425	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	156.1	-174.8	64.7	-177.5	31.6	0	0	110.7	S311 Y313	S311-Q356 CarbonylContact O-C 3.39Å; S311-Q356 VanDerWaalsContact O-CA 3.26Å; S311-Q356 WeakPolarHBondContact O-CA 3.47Å; S311-Q356 WeakPolarHBondContact O-CB 3.42Å; Y313-Q356 HydrophobicContact CD2-CB 4.2Å; Y313-Q356 HydrophobicContact CD2-CG 4.44Å; Y313-Q356 HydrophobicContact CE2-CB 4.05Å
357	H	96.6	Very high	96.6	Very high	24 Å²	24	50.9 Å²	50.9	11%	0.111	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	145.4	172.5	-63	-66.1	0	0	0	111.3	A298 F303 Y310 S311 Y312 Y313 V363	A298-H357 PolarHBondContact O-NE2 3.48Å; F303-H357 AromaticContact CD2-CE1 3.48Å; F303-H357 VanDerWaalsContact CD2-CE1 3.48Å; F303-H357 WeakPolarHBondContact CD2-CE1 3.27Å; F303-H357 AromaticContact CD2-NE2 3.62Å; F303-H357 AromaticContact CE2-CE1 3.91Å; F303-H357 AromaticContact CG-CE1 3.69Å; Y310-H357 AromaticContact CD1-NE2 3.84Å; Y310-H357 AromaticContact CG-NE2 3.64Å; S311-H357 PolarHBondContact O-N 3.29Å; Y312-H357 WeakPolarHBondContact CA-O 3.2Å; Y312-H357 HydrophobicContact CD2-CB 4.31Å; Y312-H357 WeakPolarHBondContact CD2-O 3.39Å; Y313-H357 PolarHBondContact N-O 2.84Å; H357-V363 HydrophobicContact CB-CG2 4.07Å; H357-V363 WeakPolarHBondContact ND1-CG2 3.47Å
358	T	91.8	Very high	96.6	Very high	112 Å²	112	51.1 Å²	51.1	69%	0.687	27%	0.268	S	S	*	.	S	Bend	trans	-109.1	-14.1	174.2	54.4	0	0	0	0	112.7	Y312	Y312-T358 WeakPolarHBondContact CE2-O 3.08Å
359	S	95.4	Very high	96.5	Very high	43 Å²	43	55 Å²	55	30%	0.301	28%	0.28	S	S	.	.			trans	-150	118.7	-179.7	176.6	0	0	0	0	111.4	F361 Q362 V363	S359-F361 VanDerWaalsContact C-N 3.27Å; S359-F361 PolarHBondContact O-N 2.99Å; S359-F361 PolarHBondContact OG-N 3.14Å; S359-Q362 WeakPolarHBondContact O-CB 3.47Å; S359-Q362 PolarHBondContact O-N 3.02Å; S359-Q362 PolarHBondContact OG-N 3.19Å; S359-V363 WeakPolarHBondContact O-CG2 3.43Å; S359-V363 PolarHBondContact O-N 2.99Å; S359-V363 VanDerWaalsContact O-N 3.14Å
360	W	96.6	Very high	96.4	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.008	28%	0.276	C	S	.	.	H	α-helix	trans	-68.6	-25.8	171	-74.3	-22.5	0	0	0	113.2	P291 H295 Y312 L316 T320 V323 Q362 V363 L364	P291-W360 VanDerWaalsContact O-CB 3.24Å; P291-W360 WeakPolarHBondContact O-CB 3.42Å; H295-W360 HydrophobicContact CB-CD2 3.95Å; H295-W360 VanDerWaalsContact CB-CE2 3.46Å; H295-W360 HydrophobicContact CB-CE3 4.23Å; H295-W360 HydrophobicContact CB-CH2 3.73Å; H295-W360 HydrophobicContact CB-CZ2 3.36Å; H295-W360 HydrophobicContact CB-CZ3 4.14Å; Y312-W360 VanDerWaalsContact CB-NE1 3.31Å; Y312-W360 HydrophobicContact CD1-CD2 4.12Å; Y312-W360 AromaticContact CD1-CE2 3.49Å; Y312-W360 VanDerWaalsContact CD1-CE2 3.49Å; Y312-W360 HydrophobicContact CD1-CH2 4.22Å; Y312-W360 AromaticContact CD1-CZ2 3.55Å; Y312-W360 HydrophobicContact CD1-CZ2 3.55Å; Y312-W360 AromaticContact CD1-NE1 3.74Å; Y312-W360 AromaticContact CD2-CD1 3.82Å; Y312-W360 HydrophobicContact CD2-CG 4.27Å; Y312-W360 AromaticContact CD2-NE1 3.84Å; Y312-W360 HydrophobicContact CE1-CD2 4.19Å; Y312-W360 HydrophobicContact CE1-CE3 4.48Å; Y312-W360 HydrophobicContact CE1-CH2 4.41Å; Y312-W360 HydrophobicContact CE1-CZ2 4.13Å; Y312-W360 HydrophobicContact CE2-CG 4.36Å; Y312-W360 AromaticContact CG-CD1 3.84Å; Y312-W360 HydrophobicContact CG-CD2 4.3Å; Y312-W360 AromaticContact CG-CE2 3.64Å; Y312-W360 HydrophobicContact CG-CG 4.39Å; Y312-W360 HydrophobicContact CG-CZ2 4.09Å; Y312-W360 AromaticContact CG-NE1 3.35Å; Y312-W360 VanDerWaalsContact CG-NE1 3.35Å; L316-W360 HydrophobicContact CB-CE3 3.91Å; L316-W360 HydrophobicContact CB-CZ3 3.76Å; L316-W360 HydrophobicContact CD1-CB 4.39Å; L316-W360 HydrophobicContact CD1-CD2 4.33Å; L316-W360 HydrophobicContact CD1-CE3 3.52Å; L316-W360 HydrophobicContact CD1-CZ3 4.16Å; L316-W360 HydrophobicContact CG-CE3 4.37Å; T320-W360 HydrophobicContact CG2-CH2 4.23Å; T320-W360 HydrophobicContact CG2-CZ3 3.96Å; V323-W360 HydrophobicContact CG1-CH2 3.77Å; V323-W360 HydrophobicContact CG1-CZ2 4.11Å; W360-Q362 VanDerWaalsContact C-N 3.33Å; W360-V363 WeakPolarHBondContact O-CB 3.35Å; W360-V363 PolarHBondContact O-N 3.47Å; W360-L364 WeakPolarHBondContact O-CG 3.49Å; W360-L364 PolarHBondContact O-N 3.12Å; W360-L364 VanDerWaalsContact O-N 3.08Å
361	F	96	Very high	96.1	Very high	117 Å²	117	58.3 Å²	58.3	51%	0.513	30%	0.298	S	S	.	.	H	α-helix	trans	-63.9	-42.3	170.4	179.7	-93.3	0	0	0	111.1	S359 V363 L364 W365	S359-F361 VanDerWaalsContact C-N 3.27Å; S359-F361 PolarHBondContact O-N 2.99Å; S359-F361 PolarHBondContact OG-N 3.14Å; F361-V363 VanDerWaalsContact C-N 3.32Å; F361-V363 PolarHBondContact O-N 3.36Å; F361-L364 PolarHBondContact O-N 3.26Å; F361-W365 PolarHBondContact O-N 3.05Å
362	Q	96.4	Very high	95.8	Very high	86 Å²	86	63.3 Å²	63.3	40%	0.402	33%	0.325	S	S	.	.	H	α-helix	trans	-62.8	-40.7	175.8	-172.5	63.4	41.5	0	0	111.1	S359 W360 L364 W365 D366	S359-Q362 WeakPolarHBondContact O-CB 3.47Å; S359-Q362 PolarHBondContact O-N 3.02Å; S359-Q362 PolarHBondContact OG-N 3.19Å; W360-Q362 VanDerWaalsContact C-N 3.33Å; Q362-L364 VanDerWaalsContact C-N 3.33Å; Q362-L364 PolarHBondContact O-N 3.11Å; Q362-W365 WeakPolarHBondContact O-CB 3.18Å; Q362-W365 PolarHBondContact O-N 3.25Å; Q362-W365 VanDerWaalsContact O-N 3.15Å; Q362-D366 WeakPolarHBondContact CG-OD2 3.49Å; Q362-D366 PolarHBondContact NE2-OD1 2.85Å; Q362-D366 PolarHBondContact NE2-OD2 3.42Å; Q362-D366 WeakPolarHBondContact O-CB 3.4Å; Q362-D366 VanDerWaalsContact O-CG 3.27Å; Q362-D366 PolarHBondContact O-N 3.18Å
363	V	97.1	Very high	95.7	Very high	1 Å²	1	59 Å²	59	1%	0.006	30%	0.302	C	S	.	.	H	α-helix	trans	-56.6	-46.1	174.6	169.4	0	0	0	0	111.8	I297 A298 F303 H357 S359 W360 F361 W365 D366 F367	I297-V363 HydrophobicContact CB-CG1 3.86Å; I297-V363 HydrophobicContact CG2-CG1 3.94Å; A298-V363 HydrophobicContact CB-CB 4.45Å; A298-V363 HydrophobicContact CB-CG1 3.93Å; A298-V363 HydrophobicContact CB-CG2 3.97Å; F303-V363 HydrophobicContact CE2-CG1 3.98Å; F303-V363 HydrophobicContact CZ-CB 4.41Å; F303-V363 HydrophobicContact CZ-CG1 3.67Å; H357-V363 HydrophobicContact CB-CG2 4.07Å; H357-V363 WeakPolarHBondContact ND1-CG2 3.47Å; S359-V363 WeakPolarHBondContact O-CG2 3.43Å; S359-V363 PolarHBondContact O-N 2.99Å; S359-V363 VanDerWaalsContact O-N 3.14Å; W360-V363 WeakPolarHBondContact O-CB 3.35Å; W360-V363 PolarHBondContact O-N 3.47Å; F361-V363 VanDerWaalsContact C-N 3.32Å; F361-V363 PolarHBondContact O-N 3.36Å; V363-W365 VanDerWaalsContact C-N 3.34Å; V363-D366 PolarHBondContact O-N 2.93Å; V363-F367 VanDerWaalsContact O-CB 3.3Å; V363-F367 WeakPolarHBondContact O-CB 3.3Å; V363-F367 PolarHBondContact O-N 3.31Å
364	L	97.4	Very high	95.6	Very high	14 Å²	14	54.6 Å²	54.6	7%	0.073	27%	0.273	C	S	.	.	H	α-helix	trans	-64.2	-40.1	177.1	-67.8	175.3	0	0	0	111.8	L230 H290 I297 W360 F361 Q362 V368	L230-L364 HydrophobicContact CD1-CD2 4.17Å; L230-L364 HydrophobicContact CD2-CD2 3.74Å; H290-L364 WeakPolarHBondContact O-CD1 3.37Å; I297-L364 HydrophobicContact CD1-CD2 3.96Å; W360-L364 WeakPolarHBondContact O-CG 3.49Å; W360-L364 PolarHBondContact O-N 3.12Å; W360-L364 VanDerWaalsContact O-N 3.08Å; F361-L364 PolarHBondContact O-N 3.26Å; Q362-L364 VanDerWaalsContact C-N 3.33Å; Q362-L364 PolarHBondContact O-N 3.11Å; L364-V368 WeakPolarHBondContact O-CG2 3.47Å; L364-V368 PolarHBondContact O-N 3.37Å
365	W	97.4	Very high	95.6	Very high	129 Å²	129	53 Å²	53	49%	0.489	27%	0.265	S	S	.	.	H	α-helix	trans	-62	-52.8	175.9	179.9	-85.3	0	0	0	111.5	F361 Q362 V363 F367 V368 F369	F361-W365 PolarHBondContact O-N 3.05Å; Q362-W365 WeakPolarHBondContact O-CB 3.18Å; Q362-W365 PolarHBondContact O-N 3.25Å; Q362-W365 VanDerWaalsContact O-N 3.15Å; V363-W365 VanDerWaalsContact C-N 3.34Å; W365-F367 VanDerWaalsContact C-N 3.31Å; W365-F367 PolarHBondContact O-N 3.03Å; W365-V368 PolarHBondContact O-N 3.36Å; W365-V368 VanDerWaalsContact O-N 3.08Å; W365-F369 AromaticContact CD2-CD2 3.55Å; W365-F369 HydrophobicContact CD2-CD2 3.55Å; W365-F369 AromaticContact CD2-CE2 3.81Å; W365-F369 HydrophobicContact CD2-CE2 3.81Å; W365-F369 AromaticContact CE2-CD2 3.5Å; W365-F369 VanDerWaalsContact CE2-CD2 3.5Å; W365-F369 AromaticContact CE2-CE2 3.95Å; W365-F369 AromaticContact CE3-CD2 3.9Å; W365-F369 HydrophobicContact CE3-CD2 3.9Å; W365-F369 AromaticContact CE3-CE2 3.63Å; W365-F369 HydrophobicContact CE3-CE2 3.63Å; W365-F369 AromaticContact CG-CD2 4Å; W365-F369 HydrophobicContact CG-CD2 4Å; W365-F369 HydrophobicContact CH2-CD2 4.13Å; W365-F369 AromaticContact CH2-CE2 3.77Å; W365-F369 HydrophobicContact CH2-CE2 3.77Å; W365-F369 HydrophobicContact CH2-CZ 4.34Å; W365-F369 AromaticContact CZ2-CD2 3.81Å; W365-F369 HydrophobicContact CZ2-CD2 3.81Å; W365-F369 AromaticContact CZ2-CE2 3.95Å; W365-F369 HydrophobicContact CZ2-CE2 3.95Å; W365-F369 HydrophobicContact CZ2-CG 4.44Å; W365-F369 HydrophobicContact CZ3-CD2 4.17Å; W365-F369 AromaticContact CZ3-CE2 3.61Å; W365-F369 HydrophobicContact CZ3-CE2 3.61Å; W365-F369 HydrophobicContact CZ3-CZ 4.39Å; W365-F369 AromaticContact NE1-CD2 3.88Å; W365-F369 WeakPolarHBondContact O-CD2 3.05Å; W365-F369 PolarHBondContact O-N 3.08Å
366	D	97.1	Very high	95.6	Very high	48 Å²	48	52.5 Å²	52.5	26%	0.257	26%	0.259	S	S	.	.	H	α-helix	trans	-62.6	-39.8	-179.8	-67.1	-17.5	0	0	0	110.8	F303 Q362 V363 V368 F369 D370	F303-D366 HydrophobicContact CE1-CB 3.85Å; Q362-D366 WeakPolarHBondContact CG-OD2 3.49Å; Q362-D366 PolarHBondContact NE2-OD1 2.85Å; Q362-D366 PolarHBondContact NE2-OD2 3.42Å; Q362-D366 WeakPolarHBondContact O-CB 3.4Å; Q362-D366 VanDerWaalsContact O-CG 3.27Å; Q362-D366 PolarHBondContact O-N 3.18Å; V363-D366 PolarHBondContact O-N 2.93Å; D366-V368 VanDerWaalsContact C-N 3.26Å; D366-V368 PolarHBondContact O-N 3.35Å; D366-F369 PolarHBondContact O-N 3.13Å; D366-D370 WeakPolarHBondContact O-CA 3.28Å; D366-D370 WeakPolarHBondContact O-CB 3.38Å; D366-D370 PolarHBondContact O-N 3.37Å
367	F	96.9	Very high	95.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-55	-44.3	173.5	179.9	-97.2	0	0	0	111.9	K226 W229 L230 I297 Y301 V363 W365 I373 P375	K226-F367 HydrophobicContact CB-CD1 4.22Å; K226-F367 HydrophobicContact CB-CE1 3.88Å; K226-F367 HydrophobicContact CD-CD1 4.48Å; K226-F367 HydrophobicContact CD-CE1 4.37Å; K226-F367 WeakPolarHBondContact CD-O 3.41Å; K226-F367 HydrophobicContact CG-CE1 4.24Å; K226-F367 PolarHBondContact NZ-O 3.11Å; K226-F367 VanDerWaalsContact NZ-O 3.11Å; W229-F367 HydrophobicContact CD2-CE1 4.3Å; W229-F367 HydrophobicContact CD2-CZ 4.03Å; W229-F367 AromaticContact CE3-CE1 3.53Å; W229-F367 HydrophobicContact CE3-CE1 3.53Å; W229-F367 HydrophobicContact CE3-CE2 4.49Å; W229-F367 AromaticContact CE3-CZ 3.45Å; W229-F367 HydrophobicContact CE3-CZ 3.45Å; W229-F367 VanDerWaalsContact CE3-CZ 3.45Å; W229-F367 HydrophobicContact CH2-CZ 4.46Å; W229-F367 HydrophobicContact CZ3-CE1 4.02Å; W229-F367 HydrophobicContact CZ3-CE2 4.35Å; W229-F367 AromaticContact CZ3-CZ 3.7Å; W229-F367 HydrophobicContact CZ3-CZ 3.7Å; L230-F367 HydrophobicContact CD2-CD1 3.88Å; L230-F367 HydrophobicContact CD2-CE1 4.04Å; L230-F367 HydrophobicContact CG-CD1 4.2Å; L230-F367 HydrophobicContact CG-CE1 4.32Å; I297-F367 HydrophobicContact CD1-CB 4Å; I297-F367 HydrophobicContact CD1-CD1 3.84Å; I297-F367 HydrophobicContact CD1-CD2 3.77Å; I297-F367 HydrophobicContact CD1-CE1 4.23Å; I297-F367 HydrophobicContact CD1-CE2 4.16Å; I297-F367 HydrophobicContact CD1-CG 3.59Å; I297-F367 HydrophobicContact CD1-CZ 4.38Å; I297-F367 HydrophobicContact CG1-CD2 4.49Å; I297-F367 HydrophobicContact CG2-CB 4.21Å; I297-F367 HydrophobicContact CG2-CD2 3.64Å; I297-F367 HydrophobicContact CG2-CE2 4.35Å; I297-F367 HydrophobicContact CG2-CG 4.18Å; Y301-F367 HydrophobicContact CD1-CD2 4.4Å; Y301-F367 HydrophobicContact CD1-CE2 4.11Å; Y301-F367 HydrophobicContact CE1-CD2 4.4Å; Y301-F367 AromaticContact CE1-CE2 3.7Å; Y301-F367 HydrophobicContact CE1-CE2 3.7Å; V363-F367 VanDerWaalsContact O-CB 3.3Å; V363-F367 WeakPolarHBondContact O-CB 3.3Å; V363-F367 PolarHBondContact O-N 3.31Å; W365-F367 VanDerWaalsContact C-N 3.31Å; W365-F367 PolarHBondContact O-N 3.03Å; F367-I373 HydrophobicContact CB-CG2 4.43Å; F367-I373 HydrophobicContact CD2-CG2 3.93Å; F367-P375 HydrophobicContact CZ-CG 4.42Å
368	V	97.4	Very high	95.6	Very high	6 Å²	6	47.2 Å²	47.2	4%	0.036	24%	0.235	C	C	.	.	H	α-helix	trans	-72.6	-46.8	-178.9	172.8	0	0	0	0	111.8	P223 K226 V227 L230 L364 W365 D366	P223-V368 WeakPolarHBondContact CA-O 3.35Å; P223-V368 HydrophobicContact CB-CG1 4.06Å; K226-V368 HydrophobicContact CB-CG2 4.36Å; V227-V368 HydrophobicContact CG2-CB 4.46Å; V227-V368 HydrophobicContact CG2-CG1 3.64Å; V227-V368 HydrophobicContact CG2-CG2 3.87Å; L230-V368 HydrophobicContact CD1-CG2 3.64Å; L364-V368 WeakPolarHBondContact O-CG2 3.47Å; L364-V368 PolarHBondContact O-N 3.37Å; W365-V368 PolarHBondContact O-N 3.36Å; W365-V368 VanDerWaalsContact O-N 3.08Å; D366-V368 VanDerWaalsContact C-N 3.26Å; D366-V368 PolarHBondContact O-N 3.35Å
369	F	97.1	Very high	95.8	Very high	107 Å²	107	42.3 Å²	42.3	47%	0.469	20%	0.204	S	C	.	.	H	α-helix	trans	-105.4	-19.3	-163.8	-64.4	-69.5	0	0	0	115.3	P223 W365 D366	P223-F369 HydrophobicContact CB-CD1 4.34Å; P223-F369 HydrophobicContact CB-CE1 4.41Å; W365-F369 AromaticContact CD2-CD2 3.55Å; W365-F369 HydrophobicContact CD2-CD2 3.55Å; W365-F369 AromaticContact CD2-CE2 3.81Å; W365-F369 HydrophobicContact CD2-CE2 3.81Å; W365-F369 AromaticContact CE2-CD2 3.5Å; W365-F369 VanDerWaalsContact CE2-CD2 3.5Å; W365-F369 AromaticContact CE2-CE2 3.95Å; W365-F369 AromaticContact CE3-CD2 3.9Å; W365-F369 HydrophobicContact CE3-CD2 3.9Å; W365-F369 AromaticContact CE3-CE2 3.63Å; W365-F369 HydrophobicContact CE3-CE2 3.63Å; W365-F369 AromaticContact CG-CD2 4Å; W365-F369 HydrophobicContact CG-CD2 4Å; W365-F369 HydrophobicContact CH2-CD2 4.13Å; W365-F369 AromaticContact CH2-CE2 3.77Å; W365-F369 HydrophobicContact CH2-CE2 3.77Å; W365-F369 HydrophobicContact CH2-CZ 4.34Å; W365-F369 AromaticContact CZ2-CD2 3.81Å; W365-F369 HydrophobicContact CZ2-CD2 3.81Å; W365-F369 AromaticContact CZ2-CE2 3.95Å; W365-F369 HydrophobicContact CZ2-CE2 3.95Å; W365-F369 HydrophobicContact CZ2-CG 4.44Å; W365-F369 HydrophobicContact CZ3-CD2 4.17Å; W365-F369 AromaticContact CZ3-CE2 3.61Å; W365-F369 HydrophobicContact CZ3-CE2 3.61Å; W365-F369 HydrophobicContact CZ3-CZ 4.39Å; W365-F369 AromaticContact NE1-CD2 3.88Å; W365-F369 WeakPolarHBondContact O-CD2 3.05Å; W365-F369 PolarHBondContact O-N 3.08Å; D366-F369 PolarHBondContact O-N 3.13Å
370	D	95.1	Very high	95.8	Very high	59 Å²	59	40.9 Å²	40.9	32%	0.316	19%	0.192	S	C	.	.			trans	-77.2	124	168.9	-168.3	-22.2	0	0	0	109.2	K226 D366 N372 I373	K226-D370 PolarHBondContact NZ-O 2.95Å; D366-D370 WeakPolarHBondContact O-CA 3.28Å; D366-D370 WeakPolarHBondContact O-CB 3.38Å; D366-D370 PolarHBondContact O-N 3.37Å; D370-N372 PolarHBondContact O-N 3.39Å; D370-N372 WeakPolarHBondContact OD1-CB 3.49Å; D370-N372 PolarHBondContact OD1-N 2.74Å; D370-N372 PolarHBondContact OD1-ND2 3.12Å; D370-I373 HydrophobicContact CB-CB 4.28Å; D370-I373 HydrophobicContact CB-CG1 3.97Å; D370-I373 PolarHBondContact O-N 3.24Å
371	E	91.9	Very high	95.8	Very high	123 Å²	123	41.3 Å²	41.3	58%	0.575	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-24.6	179.8	-53	-170.6	157.6	0	0	111.8	G72 G73 I373	G72-E371 CarbonylContact O-C 3.36Å; G72-E371 WeakPolarHBondContact O-CB 3Å; G72-E371 VanDerWaalsContact O-O 3.13Å; G73-E371 WeakPolarHBondContact CA-O 3.44Å; E371-I373 VanDerWaalsContact C-N 3.34Å
372	N	90.2	Very high	95.7	Very high	106 Å²	106	42 Å²	42	57%	0.567	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-17.3	179.7	-58.2	-69.3	0	0	0	113.6	D370	D370-N372 PolarHBondContact O-N 3.39Å; D370-N372 WeakPolarHBondContact OD1-CB 3.49Å; D370-N372 PolarHBondContact OD1-N 2.74Å; D370-N372 PolarHBondContact OD1-ND2 3.12Å
373	I	94.2	Very high	95.5	Very high	6 Å²	6	40.6 Å²	40.6	3%	0.031	19%	0.19	C	C	.	.			trans	-107.8	132.8	-176.3	-52	-56	0	0	0	110.1	K226 F303 F367 D370 E371	K226-I373 VanDerWaalsContact CE-O 3.29Å; K226-I373 WeakPolarHBondContact CE-O 3.45Å; K226-I373 PolarHBondContact NZ-O 3.12Å; F303-I373 HydrophobicContact CD1-CD1 3.98Å; F303-I373 HydrophobicContact CD1-CG1 3.95Å; F303-I373 HydrophobicContact CD1-CG2 4.4Å; F303-I373 HydrophobicContact CE1-CB 4.49Å; F303-I373 HydrophobicContact CE1-CD1 4.46Å; F303-I373 HydrophobicContact CE1-CG1 4.03Å; F303-I373 HydrophobicContact CE1-CG2 3.85Å; F303-I373 HydrophobicContact CG-CD1 4.32Å; F303-I373 HydrophobicContact CZ-CG2 3.93Å; F367-I373 HydrophobicContact CB-CG2 4.43Å; F367-I373 HydrophobicContact CD2-CG2 3.93Å; D370-I373 HydrophobicContact CB-CB 4.28Å; D370-I373 HydrophobicContact CB-CG1 3.97Å; D370-I373 PolarHBondContact O-N 3.24Å; E371-I373 VanDerWaalsContact C-N 3.34Å
374	G	95.1	Very high	94.8	Very high	9 Å²	9	48.1 Å²	48.1	9%	0.093	22%	0.223	C	C	.	.	S	Bend	trans	-177.8	-171.3	178.6	0	0	0	0	0	110.6	Y301 Y376 A377	Y301-G374 WeakPolarHBondContact CD1-O 3.4Å; Y301-G374 VanDerWaalsContact CE1-O 3.28Å; Y301-G374 WeakPolarHBondContact CE1-O 3.22Å; G374-Y376 PolarHBondContact O-N 3.22Å; G374-Y376 VanDerWaalsContact O-N 3.08Å; G374-A377 VanDerWaalsContact O-CB 3.31Å; G374-A377 WeakPolarHBondContact O-CB 3.44Å; G374-A377 PolarHBondContact O-N 3.24Å
375	P	95.9	Very high	94	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.019	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.1	-177.4	-13.1	22	0	0	0	114	F77 P212 F220 F367	F77-P375 WeakPolarHBondContact CE1-O 3.31Å; P212-P375 HydrophobicContact CB-CB 3.77Å; P212-P375 HydrophobicContact CG-CB 3.85Å; F220-P375 HydrophobicContact CB-CG 3.97Å; F220-P375 WeakPolarHBondContact O-CD 3.28Å; F367-P375 HydrophobicContact CZ-CG 4.42Å
376	Y	96.4	Very high	92.5	Very high	16 Å²	16	51.2 Å²	51.2	6%	0.063	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-10.9	173	-77.2	-52.5	0	0	0	115.3	R74 D75 F77 D214 G217 W218 G374 R378	R74-Y376 VanDerWaalsContact O-CD2 3.27Å; R74-Y376 WeakPolarHBondContact O-CD2 3.42Å; D75-Y376 WeakPolarHBondContact O-CE2 3.23Å; F77-Y376 AromaticContact CD1-CD1 3.97Å; F77-Y376 HydrophobicContact CD1-CD1 3.97Å; F77-Y376 AromaticContact CD2-CD1 3.92Å; F77-Y376 HydrophobicContact CD2-CD1 3.92Å; F77-Y376 HydrophobicContact CD2-CE1 4.07Å; F77-Y376 AromaticContact CE1-CD1 3.82Å; F77-Y376 HydrophobicContact CE1-CD1 3.82Å; F77-Y376 HydrophobicContact CE1-CE1 4.49Å; F77-Y376 AromaticContact CE2-CD1 3.77Å; F77-Y376 HydrophobicContact CE2-CD1 3.77Å; F77-Y376 AromaticContact CE2-CE1 3.7Å; F77-Y376 HydrophobicContact CE2-CE1 3.7Å; F77-Y376 HydrophobicContact CG-CD1 4.04Å; F77-Y376 AromaticContact CZ-CD1 3.7Å; F77-Y376 HydrophobicContact CZ-CD1 3.7Å; F77-Y376 AromaticContact CZ-CE1 3.92Å; F77-Y376 HydrophobicContact CZ-CE1 3.92Å; D214-Y376 PolarHBondContact O-OH 3.28Å; G217-Y376 VanDerWaalsContact C-CD2 3.49Å; G217-Y376 WeakPolarHBondContact O-CE2 3.35Å; W218-Y376 HydrophobicContact CB-CE2 4.4Å; W218-Y376 VanDerWaalsContact N-CE2 3.28Å; G374-Y376 PolarHBondContact O-N 3.22Å; G374-Y376 VanDerWaalsContact O-N 3.08Å; Y376-R378 PolarHBondContact O-N 3.36Å
377	A	96.1	Very high	90.2	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.008	28%	0.284	C	S	.	.			trans	-76.7	57.2	177.9	0	0	0	0	0	110.9	Y301 M302 G374	Y301-A377 CarbonylContact C-O 3.58Å; Y301-A377 VanDerWaalsContact CA-O 3.24Å; Y301-A377 WeakPolarHBondContact CA-O 3.49Å; Y301-A377 HydrophobicContact CD1-CB 4.33Å; M302-A377 PolarHBondContact N-O 2.66Å; G374-A377 VanDerWaalsContact O-CB 3.31Å; G374-A377 WeakPolarHBondContact O-CB 3.44Å; G374-A377 PolarHBondContact O-N 3.24Å
378	R	96.3	Very high	87.8	Confident	4 Å²	4	66.5 Å²	66.5	2%	0.015	33%	0.329	C	S	.	.	S	Bend	trans	-133.7	150.6	179.1	-62.6	-71.6	-64.9	-109.2	-2.3	109.2	F77 E78 D210 I211 H300 Y301 Y376	F77-R378 HydrophobicContact CD1-CB 3.98Å; F77-R378 HydrophobicContact CE1-CB 4.35Å; E78-R378 PolarHBondContact N-O 3.27Å; D210-R378 PolarHBondContact O-NH1 3.01Å; D210-R378 IonicContact OD2-CZ 3.49Å; D210-R378 VanDerWaalsContact OD2-CZ 3.23Å; D210-R378 IonicContact OD2-NH1 2.74Å; D210-R378 PolarHBondContact OD2-NH1 3.14Å; D210-R378 IonicContact OD2-NH2 2.72Å; D210-R378 PolarHBondContact OD2-NH2 3.46Å; I211-R378 HydrophobicContact CG2-CB 4.19Å; I211-R378 HydrophobicContact CG2-CG 4.41Å; H300-R378 WeakPolarHBondContact O-CD 3.23Å; H300-R378 PolarHBondContact O-NE 2.98Å; Y301-R378 HydrophobicContact CD1-CG 4.34Å; Y301-R378 HydrophobicContact CE1-CG 4.22Å; Y376-R378 PolarHBondContact O-N 3.36Å
379	I	95.9	Very high	84.7	Confident	9 Å²	9	78.4 Å²	78.4	5%	0.046	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	137.9	169.3	-63.7	-161.9	0	0	0	109.5	E78 V80 G203 M302 E308	E78-I379 HydrophobicContact CB-CG1 4.31Å; E78-I379 CarbonylContact O-C 3.58Å; E78-I379 WeakPolarHBondContact O-CA 3.4Å; V80-I379 HydrophobicContact CB-CG2 4.3Å; V80-I379 HydrophobicContact CG1-CD1 4.35Å; V80-I379 HydrophobicContact CG1-CG2 3.94Å; V80-I379 HydrophobicContact CG2-CG2 3.42Å; V80-I379 VanDerWaalsContact CG2-CG2 3.42Å; G203-I379 WeakPolarHBondContact CA-O 3.4Å; M302-I379 HydrophobicContact SD-CD1 4.34Å; M302-I379 HydrophobicContact SD-CG1 4.16Å; E308-I379 HydrophobicContact CB-CB 4.12Å; E308-I379 HydrophobicContact CB-CD1 3.71Å; E308-I379 HydrophobicContact CB-CG1 3.88Å; E308-I379 HydrophobicContact CG-CD1 4.46Å
380	K	96.3	Very high	84.1	Confident	13 Å²	13	77 Å²	77	6%	0.057	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	148.7	171	-74.9	-173.2	74.3	177.3	0	112.3	F77 E78 W79 V80 G203 D205 I211	F77-K380 HydrophobicContact CB-CB 4.2Å; F77-K380 HydrophobicContact CB-CD 3.62Å; F77-K380 HydrophobicContact CB-CG 3.78Å; F77-K380 HydrophobicContact CD1-CD 4.01Å; F77-K380 HydrophobicContact CD1-CG 4.28Å; F77-K380 HydrophobicContact CD2-CD 3.31Å; F77-K380 HydrophobicContact CD2-CG 4.33Å; F77-K380 HydrophobicContact CE2-CD 3.91Å; F77-K380 HydrophobicContact CG-CD 3.35Å; F77-K380 HydrophobicContact CG-CG 3.87Å; F77-K380 HydrophobicContact CZ-CD 4.49Å; E78-K380 PolarHBondContact O-N 3.49Å; W79-K380 WeakPolarHBondContact CA-O 3.31Å; W79-K380 HydrophobicContact CD2-CB 3.9Å; W79-K380 HydrophobicContact CE3-CB 3.83Å; W79-K380 HydrophobicContact CH2-CB 4.17Å; W79-K380 HydrophobicContact CH2-CD 4.16Å; W79-K380 HydrophobicContact CZ2-CB 4.18Å; W79-K380 HydrophobicContact CZ2-CD 3.84Å; W79-K380 HydrophobicContact CZ3-CB 3.98Å; V80-K380 PolarHBondContact N-O 2.81Å; G203-K380 CarbonylContact O-C 3.59Å; G203-K380 WeakPolarHBondContact O-CA 3.33Å; D205-K380 WeakPolarHBondContact OD1-CE 3.42Å; D205-K380 IonicContact OD1-NZ 3.76Å; D205-K380 PolarHBondContact OD1-NZ 2.77Å; D205-K380 IonicContact OD2-NZ 3.6Å; I211-K380 HydrophobicContact CD1-CG 4.07Å; I211-K380 HydrophobicContact CG2-CD 4.38Å; I211-K380 HydrophobicContact CG2-CG 4.27Å
381	R	95.3	Very high	83.5	Confident	10 Å²	10	77.9 Å²	77.9	4%	0.038	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-139.8	151.3	-179.4	-67.2	-177.3	-178.1	75.3	10.9	111.3	V80 T82 L202 G203 D205 E308 Y383	V80-R381 HydrophobicContact CG2-CG 3.55Å; T82-R381 VanDerWaalsContact O-CD 3.26Å; T82-R381 WeakPolarHBondContact O-CD 3.44Å; T82-R381 PolarHBondContact O-NE 3.16Å; L202-R381 PolarHBondContact O-NH1 3.19Å; G203-R381 PolarHBondContact O-N 2.95Å; D205-R381 PolarHBondContact N-O 3.48Å; E308-R381 IonicContact OE1-CZ 3.88Å; E308-R381 IonicContact OE1-NH1 3.99Å; E308-R381 IonicContact OE1-NH2 3.23Å; E308-R381 PolarHBondContact OE1-NH2 2.92Å; E308-R381 IonicContact OE2-CZ 3.42Å; E308-R381 VanDerWaalsContact OE2-CZ 3.23Å; E308-R381 IonicContact OE2-NH1 3.53Å; E308-R381 PolarHBondContact OE2-NH1 3.23Å; E308-R381 IonicContact OE2-NH2 3.51Å; E308-R381 PolarHBondContact OE2-NH2 3.44Å; R381-Y383 HydrophobicContact CB-CD2 4.33Å; R381-Y383 HydrophobicContact CB-CE2 3.96Å
382	E	94.7	Very high	83	Confident	133 Å²	133	75.4 Å²	75.4	62%	0.621	37%	0.373	S	S	*	.			trans	-95.9	124.6	165.1	-67	-178.4	-177.8	0	0	109.8	W79	W79-E382 HydrophobicContact CZ3-CG 4.12Å
383	Y	91.1	Very high	82.6	Confident	55 Å²	55	73.6 Å²	73.6	22%	0.216	36%	0.361	C	S	.	.			trans	-100.6	128.4	172.8	-77.2	-91.9	0	0	0	110	Y201 L202 G204 L207 R381 L385	Y201-Y383 AromaticContact CD1-CD1 3.85Å; Y201-Y383 HydrophobicContact CD1-CD1 3.85Å; Y201-Y383 HydrophobicContact CD1-CD2 4.46Å; Y201-Y383 HydrophobicContact CD1-CE1 4.16Å; Y201-Y383 HydrophobicContact CD1-CG 4.01Å; L202-Y383 PolarHBondContact N-OH 3.17Å; L202-Y383 PolarHBondContact O-OH 3.22Å; G204-Y383 VanDerWaalsContact CA-CD2 3.49Å; G204-Y383 VanDerWaalsContact CA-CE2 3.45Å; L207-Y383 HydrophobicContact CD1-CD2 4.29Å; L207-Y383 HydrophobicContact CD1-CG 4.27Å; R381-Y383 HydrophobicContact CB-CD2 4.33Å; R381-Y383 HydrophobicContact CB-CE2 3.96Å; Y383-L385 PolarHBondContact O-N 3.16Å; Y383-L385 VanDerWaalsContact O-N 3.14Å
384	K	83.1	Confident	81.9	Confident	159 Å²	159	77.9 Å²	77.9	69%	0.691	38%	0.382	S	S	*	.			trans	-76.4	99.5	168.5	-66.5	-175.3	-177.3	-177.6	0	108.8	N51	N51-K384 PolarHBondContact O-NZ 3.13Å
385	L	79.8	Confident	81	Confident	98 Å²	98	82.5 Å²	82.5	51%	0.513	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-72.7	127.8	169.4	-60.4	175.2	0	0	0	108.5	Y201 L207 Y383 K387	Y201-L385 HydrophobicContact CE1-CD2 4.1Å; L207-L385 HydrophobicContact CD1-CD2 4.04Å; L207-L385 HydrophobicContact CD1-CG 4.44Å; L207-L385 HydrophobicContact CD2-CD1 4.19Å; Y383-L385 PolarHBondContact O-N 3.16Å; Y383-L385 VanDerWaalsContact O-N 3.14Å; L385-K387 PolarHBondContact O-N 3.49Å
386	S	67.8	Low	79.9	Confident	110 Å²	110	88.1 Å²	88.1	77%	0.769	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-60.3	124	167.7	50.1	0	0	0	0	107.8	L388	S386-L388 PolarHBondContact O-N 2.65Å; S386-L388 VanDerWaalsContact O-N 3.14Å
387	K	47.2	Very low	78.7	Confident	189 Å²	189	93.7 Å²	93.7	82%	0.822	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-59.7	121.7	170.4	-72.1	-178.1	178.2	179	0	106.6	L385 E389	L385-K387 PolarHBondContact O-N 3.49Å; K387-E389 VanDerWaalsContact C-N 3.28Å; K387-E389 PolarHBondContact O-N 3.38Å
388	L	46.8	Very low	77.2	Confident	180 Å²	180	101.4 Å²	101.4	94%	0.942	49%	0.494	S	S	*	.			trans	-68	96.5	163.6	-76	159.4	0	0	0	105.6	S386	S386-L388 PolarHBondContact O-N 2.65Å; S386-L388 VanDerWaalsContact O-N 3.14Å
389	E	32.5	Very low	75.5	Confident	257 Å²	257	110.3 Å²	110.3	100%	1.201	54%	0.538	S	S	*	.			trans	-71.9	0	167.1	-72.8	-173.4	162.8	0	0	111.4	K387	K387-E389 VanDerWaalsContact C-N 3.28Å; K387-E389 PolarHBondContact O-N 3.38Å

Retrieved 389 of 389 residues in 758.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).